#DEFINITION	Reference Metabolome for Lespedeza thunbergii subsp. Formosa
#IDENTTFIER	RefMeta-Lespedeza thunbergii subsp. Formosa.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Lespedeza thunbergii subsp. Formosa
#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 Lespedeza thunbergii subsp. Formosa 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	995.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37213	0.8
69.37634	2.1
71.01267	9.4
71.42332	0.3
72.99207	0.8
73.02834	3.6
75.01361	0.3
81.03349	0.3
83.01275	1.7
85.02834	2.7
87.00782	0.7
89.02330	5.5
89.02843	0.5
95.01315	1.0
99.00805	0.4
101.02341	7.1
107.01285	1.1
113.02351	5.7
117.03403	1.6
119.03425	2.3
121.07494	0.3
122.03662	0.4
125.02386	0.4
131.03395	0.8
143.03386	1.5
149.02379	0.8
149.04530	1.4
149.05934	1.4
150.03183	1.6
151.00352	0.9
159.04460	0.9
160.51797	0.3
161.02396	0.6
161.04478	3.0
165.05577	1.4
179.05620	1.8
180.05838	0.4
183.04491	0.4
193.12299	0.5
195.06645	0.4
197.06058	0.6
201.05554	0.5
211.04048	0.4
221.06659	1.0
225.05612	1.1
239.03476	0.5
240.04250	1.1
255.03099	0.3
255.12170	0.3
267.02939	0.4
268.03815	21.3
269.04599	100.0
270.04913	6.8
271.02368	0.4
293.04443	0.4
300.02863	0.7
313.16644	3.8
314.17297	0.4
331.17636	4.7
373.14001	0.6
373.18738	10.9
374.19128	0.8
413.08817	0.8
417.12186	0.6
417.17526	1.0
429.21539	0.4
431.09525	0.4
443.15616	0.4
447.09802	0.8
533.20581	0.5
577.15735	75.7
578.16119	9.1
747.28943	0.5
789.29926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.1
70.37009	1.0
70.37416	1.6
71.01272	3.8
72.99224	0.6
73.02834	0.7
85.02837	1.4
87.00778	0.8
89.02354	3.0
95.01305	0.6
101.02374	3.4
113.02377	1.4
135.04462	1.0
143.04932	0.7
145.06548	1.3
146.03661	1.5
147.04459	13.6
148.05197	3.5
155.04955	0.8
159.03163	1.2
159.04468	18.0
160.05147	1.3
161.06010	6.2
165.52695	0.6
172.05241	4.6
173.06035	29.5
174.03140	2.5
174.06604	2.8
175.03972	4.3
185.06049	2.0
186.06870	1.5
187.04019	3.5
187.07610	8.1
188.08334	1.1
189.05537	15.1
195.69481	0.6
198.06807	0.6
199.07594	1.0
200.08305	0.7
201.05556	8.5
202.05795	0.8
209.11633	0.6
211.13376	5.6
213.05643	0.6
215.07214	3.3
216.07924	41.1
217.08279	2.7
221.06604	0.7
255.13951	0.8
255.23329	11.8
257.15472	1.5
283.13461	1.4
285.14969	4.3
297.15042	9.4
299.12833	0.8
300.13751	12.0
301.14294	1.6
313.17981	1.8
315.16080	2.9
318.14856	1.7
323.16583	2.5
341.17648	66.8
342.18033	6.9
359.18735	10.7
397.13458	0.8
546.16003	0.7
739.31757	1.5
757.33099	6.8
758.33789	1.1
995.56061	100.0
996.56372	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.4
71.01275	6.4
71.60875	1.1
73.02824	1.3
80.02619	0.8
81.03339	1.5
83.01281	1.3
83.04917	3.7
85.02831	2.0
87.00782	1.4
89.02342	4.0
94.49963	0.7
96.95921	2.5
99.00780	1.0
101.02336	4.9
109.02908	0.9
113.02378	1.7
119.03453	1.0
119.04950	1.3
121.02866	0.9
125.02388	1.6
135.04448	1.2
145.06522	2.1
146.03676	2.6
147.04456	20.1
148.05247	3.7
149.05998	1.4
155.04965	0.9
157.51205	0.8
159.04448	26.9
160.05154	2.3
161.06036	9.3
163.11212	1.7
172.05251	5.4
173.06035	43.8
174.03178	3.4
174.06624	4.2
175.03995	7.7
183.13853	1.1
185.06049	3.3
186.06850	2.5
187.04027	5.8
187.07610	10.4
188.08322	1.6
189.05547	22.9
189.09224	1.0
190.05905	1.1
199.07639	1.4
201.05566	11.3
201.09184	1.5
209.11832	26.9
210.12172	1.8
211.13382	8.0
215.07100	5.0
216.07919	62.0
217.08299	3.4
227.12862	1.1
231.13925	0.9
243.14066	1.0
256.14615	1.0
257.15417	1.1
283.13446	1.3
285.14996	6.7
297.15063	15.0
297.18289	1.1
298.15350	1.0
299.12851	1.8
300.13708	16.7
301.14310	1.4
313.18100	1.7
315.16113	3.7
316.16571	0.9
318.14706	3.2
323.16440	2.9
341.17642	95.7
342.18015	8.5
359.18713	15.8
360.18903	1.3
373.28293	0.8
377.56671	0.8
397.13382	2.4
415.14661	1.0
419.27698	0.7
739.31940	2.7
757.33075	17.9
758.33173	2.7
949.44415	10.1
950.44623	1.9
967.45691	100.0
968.25946	1.3
968.45978	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.0
69.71963	3.7
71.01267	7.5
72.99193	0.9
73.02823	0.8
80.02578	1.0
81.03325	1.2
83.01277	1.0
83.04915	2.3
85.02840	1.5
87.00792	1.5
89.02332	4.1
95.04897	1.1
96.95911	1.6
97.02823	1.3
99.00761	0.8
101.02340	4.4
105.93446	0.6
109.02824	0.9
113.02354	1.9
119.03424	1.0
119.04894	0.5
123.08112	0.6
125.02354	1.4
129.03348	1.1
135.04463	1.0
135.08081	0.6
143.05002	0.7
145.06497	1.6
146.03629	2.5
147.04446	18.4
148.05249	5.1
149.05942	0.6
155.04971	0.8
155.37389	0.5
159.04453	25.6
160.05069	1.9
161.02309	0.7
161.04767	0.8
161.06026	9.6
163.11229	2.3
165.12769	1.3
171.04503	0.8
172.05257	6.0
173.06033	43.4
174.03174	3.3
174.06674	3.6
175.03961	8.4
175.07446	0.7
183.13783	1.0
185.06067	3.3
186.06827	1.9
187.03976	5.3
187.07608	11.0
188.04643	0.7
188.08252	2.2
189.05533	21.9
189.09113	0.6
190.05923	0.8
197.06113	0.8
199.07613	1.1
200.08398	1.2
201.05540	12.2
201.09119	1.0
209.11816	25.9
210.12140	1.5
211.13387	10.0
213.09012	1.0
214.06178	0.6
215.07132	4.4
216.07910	57.7
217.08272	3.3
217.10074	0.5
218.05907	0.7
221.06737	1.4
227.12987	1.2
229.08711	0.5
229.12358	0.8
235.08264	0.7
243.14018	0.8
255.13951	1.2
257.12018	0.6
257.15439	1.3
269.15738	0.7
271.13535	1.5
283.13397	1.5
285.14996	5.5
297.15027	14.8
297.18430	1.1
298.15335	1.1
299.12857	1.2
300.13721	16.2
301.14185	1.8
311.16324	0.7
313.14694	0.6
313.18106	2.2
315.15982	4.2
317.14011	0.7
318.14822	3.3
323.16647	3.3
341.17627	92.1
342.17926	8.9
359.18683	16.3
360.18976	1.6
397.13593	2.2
415.14554	1.2
607.25806	1.2
739.32178	2.1
757.33008	19.9
758.33173	3.1
787.38940	1.0
949.44366	8.5
950.44458	2.2
967.45667	100.0
968.45996	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	0.6
69.98307	2.2
71.01269	8.1
72.99203	1.0
73.02829	0.9
74.70699	0.4
83.01260	0.9
85.02845	1.5
87.00759	1.6
89.02329	5.7
95.01279	0.8
96.95925	3.0
97.02832	1.1
99.00771	0.8
101.02341	5.9
111.04379	0.5
113.02319	2.2
115.03879	0.4
119.03397	1.4
125.02360	1.5
135.04431	1.2
137.02312	0.5
143.03387	0.9
145.06471	1.0
146.03661	1.9
147.04442	11.6
148.05234	4.2
149.05875	0.4
153.39517	0.5
157.58672	0.4
159.04446	15.6
160.05074	1.3
161.04608	1.0
161.05994	6.2
162.06841	1.0
165.12805	3.2
172.05234	4.3
173.06030	24.9
174.03137	2.1
174.06691	2.3
175.03975	4.3
175.07475	0.5
183.04364	0.4
183.13853	23.3
184.14282	0.9
185.06042	1.4
186.06841	2.2
187.04016	4.2
187.07597	6.1
188.04630	0.6
188.08264	0.7
189.05533	17.4
190.05901	0.9
198.06934	0.6
199.07564	1.2
200.08449	0.5
201.05533	7.8
201.09225	1.6
209.11819	1.2
211.13367	9.4
212.08467	0.5
215.07143	3.8
216.07909	27.7
217.08298	1.4
218.05841	0.5
221.06638	2.5
227.12875	3.1
231.13992	0.6
235.08102	0.5
243.13907	0.9
253.16084	0.6
257.15445	1.3
271.13467	0.8
283.13538	1.3
285.14975	3.2
297.15018	13.3
297.18445	0.9
298.15454	0.7
299.12946	0.6
300.13721	12.0
301.14182	1.7
312.13672	0.5
313.18201	2.5
315.16104	3.9
318.14832	3.4
323.16623	3.5
339.72604	0.6
341.17627	48.0
342.17908	4.6
359.18710	15.3
360.18979	0.9
397.13190	0.6
415.14456	0.5
625.27252	2.7
757.33490	4.1
758.33392	0.6
787.39410	0.5
787.70923	0.5
923.47205	0.9
949.44763	1.9
967.45630	100.0
968.45941	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	965.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.0
69.73370	3.8
69.73800	2.7
71.01268	66.8
72.01616	1.6
72.99197	5.2
73.02837	18.7
75.00777	1.1
83.01279	10.0
85.02842	28.4
85.99994	1.1
87.00779	3.2
89.01763	1.3
89.02335	27.0
89.41550	0.9
95.01277	6.5
96.95906	3.2
97.02882	2.1
99.00781	9.2
101.02345	54.6
111.00780	1.0
112.68535	0.9
113.02358	35.2
119.03415	11.8
121.02864	1.2
125.02365	3.3
129.01880	1.3
131.03462	1.6
143.03438	4.2
145.11269	1.0
146.98936	1.0
149.04446	1.1
150.03159	2.0
159.02946	5.1
161.04504	25.1
165.05562	1.3
179.05563	4.4
179.07027	1.0
181.61504	0.9
183.13768	1.6
205.03522	1.6
211.17018	4.1
297.04468	0.9
320.93759	1.0
343.28555	6.9
355.21387	2.0
373.22382	60.4
374.22644	4.9
415.23483	100.0
416.23785	10.0
459.23199	4.8
505.33936	57.7
506.34262	4.2
841.80304	1.5
965.41638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89809	0.2
69.03343	0.7
69.54537	1.7
71.01270	14.1
72.99191	0.7
73.02834	14.1
75.00765	0.5
83.01276	5.0
85.02839	1.7
87.00761	0.5
89.02345	2.5
95.01344	0.6
97.02866	0.4
101.02342	13.4
107.01298	1.1
111.00759	0.3
113.02355	5.2
117.03357	1.8
119.03419	1.9
125.02362	0.8
131.03436	1.5
134.89465	0.2
142.12035	0.2
143.03436	1.9
149.02394	0.7
149.04486	3.2
151.00298	1.1
155.03467	0.5
157.06596	0.2
159.04457	0.6
161.02385	0.6
161.03110	0.3
161.04492	5.7
169.06505	0.3
171.04475	0.2
181.06549	0.3
183.04472	0.5
196.05283	0.5
197.06049	0.6
201.05566	0.4
203.05612	0.7
211.04034	0.3
221.06633	2.1
224.04886	0.2
225.05521	1.0
227.03461	0.6
239.03482	0.7
240.04285	0.9
267.02951	0.3
268.03818	20.0
269.04596	100.0
270.04926	7.2
311.05573	0.3
325.12833	0.3
369.11969	0.2
413.09021	0.9
431.09439	0.4
493.03937	0.3
577.15735	67.8
578.16034	8.7
593.32404	0.2
626.14893	0.3
662.14069	0.3
747.95905	0.3
758.61853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	15.5
71.54263	6.6
87.00795	7.4
89.02333	7.1
101.02372	10.2
113.02388	7.5
125.02361	4.2
125.97836	4.2
126.25865	4.7
152.50883	4.5
167.50107	4.5
179.05525	6.8
197.95116	5.1
209.11813	100.0
210.12135	50.3
211.12389	16.9
227.12865	7.8
232.08847	4.0
268.02588	4.8
277.21793	38.5
278.22089	21.9
279.22437	14.1
300.75302	4.9
379.12634	5.9
381.13107	6.0
397.13632	22.7
398.13980	15.0
399.14114	13.1
417.15219	6.6
537.50220	5.1
601.64606	5.0
741.42584	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	948.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76356	19.0
70.76679	15.7
71.01285	26.7
72.99252	12.4
73.56638	10.7
74.00938	10.5
89.02349	31.0
101.02318	17.0
113.02358	19.0
149.64345	10.8
163.11295	11.4
207.97049	15.6
209.11884	82.3
210.12109	34.8
211.12500	21.3
216.97015	10.6
255.23370	14.3
277.21762	35.2
278.22116	43.3
280.87808	12.6
293.21347	23.8
296.61905	11.8
397.13638	100.0
398.14014	27.2
415.14688	17.8
473.36703	16.9
475.74460	12.7
487.31345	13.7
619.62555	15.0
945.96185	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	951.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09122	0.2
71.63042	0.2
71.63408	0.2
83.01286	0.5
85.02858	0.3
85.30805	0.2
90.53783	0.2
91.01801	0.8
93.03371	1.6
95.01293	0.2
96.98352	0.2
96.99204	1.6
107.01266	1.0
108.02104	0.5
109.02863	0.5
113.95940	0.2
117.03395	0.4
119.04937	3.1
121.02860	0.3
123.04443	3.0
124.01568	0.3
125.02421	0.3
131.04941	0.5
132.02089	0.2
133.02866	1.7
134.03658	3.4
137.02328	0.3
139.57643	0.2
143.04959	3.8
145.02867	0.8
146.03676	1.2
147.04434	0.4
148.01601	0.2
148.05209	0.4
149.02373	0.6
149.06065	0.2
150.03133	0.3
151.00304	1.8
158.03653	1.1
159.04457	2.1
161.06029	0.8
163.00281	0.2
163.03952	2.4
165.01910	0.2
171.04427	0.3
173.06020	1.1
174.03090	0.4
175.03954	1.0
177.01833	0.3
178.02646	0.4
187.03915	0.8
193.05032	1.3
198.03052	0.3
199.03955	0.7
211.03966	0.3
213.05507	0.4
215.03522	0.2
217.05049	0.6
219.31958	0.2
222.01106	0.2
226.06366	0.8
227.03513	5.0
228.04036	0.3
229.05063	0.6
235.07570	0.3
240.04298	0.2
241.05063	0.5
241.08733	0.7
250.06340	0.3
251.05281	0.2
251.07169	4.6
252.07941	1.9
253.08701	1.6
254.09497	0.8
255.03029	10.7
256.03680	2.0
257.04526	0.8
260.38348	0.2
263.07080	0.4
265.08713	0.5
267.03116	0.3
267.10150	0.2
279.06711	1.4
280.07480	4.2
281.07935	0.3
284.03329	40.5
285.04080	37.9
286.04404	3.1
295.09845	4.1
296.10162	0.4
300.03238	0.2
307.60135	0.2
324.06497	0.7
327.05112	0.8
339.08746	1.6
357.09863	45.5
358.10236	4.6
440.77814	0.2
447.09503	1.5
533.13196	0.3
593.15234	100.0
594.15576	14.8
595.16034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.3
70.72537	1.5
71.01267	13.5
72.99194	0.9
73.02837	2.0
80.02564	1.3
81.03355	1.9
83.01268	2.1
83.04906	5.6
84.02074	1.1
85.02830	3.2
87.00757	2.8
87.43484	0.4
89.02336	11.1
95.01288	0.9
97.02852	2.7
99.00763	0.9
101.02338	9.1
111.04381	0.5
113.02354	6.1
119.03393	2.8
125.02370	4.7
139.03940	1.0
143.03418	2.2
161.04507	3.2
163.11243	4.0
165.12778	2.1
166.53195	0.5
179.05537	3.1
181.12303	1.4
191.10783	1.0
192.73508	0.5
203.63676	0.4
209.11810	100.0
210.12120	4.8
217.07100	1.3
221.06622	1.6
227.12915	8.2
235.08296	4.3
239.05902	0.5
251.12976	0.9
253.09319	0.6
259.08197	0.5
277.21774	46.4
277.55728	0.4
278.22070	3.6
287.07809	2.2
301.63074	0.5
305.08832	2.0
323.09949	1.0
379.12537	13.6
380.12863	0.6
386.43768	0.4
397.13574	36.1
398.14206	2.3
415.14673	7.0
416.15302	0.8
589.25189	3.0
590.25409	0.7
607.26105	4.7
616.09332	0.5
657.35156	1.3
675.36395	2.3
723.43994	0.7
757.39807	0.5
809.88483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.6
71.01273	15.0
71.54280	0.5
72.99171	1.1
73.02846	2.5
80.02579	0.4
81.03379	2.0
83.01273	1.9
83.04921	4.9
84.02052	0.8
85.02838	3.8
85.75597	0.4
87.00767	4.3
89.02339	12.0
95.01288	1.5
95.04918	0.8
97.02859	2.2
99.00818	0.7
101.02345	10.3
109.02857	0.5
111.00830	0.4
111.04410	0.5
113.02350	6.1
119.03440	3.4
121.02896	0.8
125.02380	5.1
132.95981	0.4
135.08066	0.8
139.03885	0.6
143.03436	3.0
161.04494	3.7
163.11230	3.9
165.12796	1.8
178.69865	0.5
179.05585	3.4
181.12299	0.5
191.10756	0.9
209.11821	100.0
210.12146	5.8
217.07172	1.0
221.06522	0.7
227.12894	12.8
228.13136	0.6
235.08240	4.9
251.12901	0.6
253.09334	1.0
259.08456	0.5
271.12323	0.4
277.21780	50.8
278.22174	4.2
287.07721	1.3
305.08853	1.5
323.09952	1.3
361.16617	0.4
379.12531	9.6
380.12949	0.7
397.13599	42.2
398.13766	2.6
415.14645	9.0
420.36606	0.5
589.24756	2.3
607.26550	2.6
657.35236	0.9
675.35968	2.6
676.35895	0.6
689.00446	0.5
971.14136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72840	0.2
69.03337	0.8
70.80891	0.2
71.01272	11.6
72.99197	0.9
73.02840	1.6
80.02586	1.4
81.03341	1.6
83.01278	1.5
83.04920	4.4
84.02058	0.7
85.02844	3.1
87.00768	2.6
89.02340	10.5
93.03338	0.2
95.01295	0.9
95.04914	0.6
97.02834	1.7
98.20544	1.0
99.00773	1.0
101.02349	9.2
109.06521	0.3
111.04458	0.3
113.02358	5.5
118.96784	0.2
119.03410	2.9
124.82734	0.2
125.02367	5.1
125.06004	0.5
125.17458	0.2
127.03951	0.3
135.08124	0.5
139.03934	0.4
141.01892	0.3
143.03461	1.6
149.04453	0.3
161.04512	3.1
163.11237	4.1
165.12755	2.0
167.03406	0.7
179.05577	3.5
181.12309	0.6
181.71729	0.2
185.04666	0.2
191.10770	0.8
193.35921	0.2
199.06110	0.3
209.11819	100.0
210.12166	5.2
217.07144	0.5
221.06696	1.7
223.13324	0.4
227.12901	10.5
228.13268	0.6
233.22839	0.2
235.08243	3.9
251.12895	0.7
253.09195	0.7
259.08389	0.4
263.07666	0.3
275.20346	0.3
277.21780	40.3
278.22137	3.8
287.07773	1.6
304.61368	0.2
305.08725	1.5
323.09848	0.9
379.12537	9.9
380.12927	0.5
397.13596	33.1
398.14035	2.2
415.14697	7.3
589.25043	2.3
590.25464	0.4
607.26160	3.3
608.26740	0.5
657.35333	0.4
675.35925	1.1
676.36023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	1.6
70.88509	1.6
70.88891	1.7
71.01270	54.1
71.98458	0.7
72.01613	0.8
72.99200	3.9
73.02832	20.5
75.00744	1.3
83.01266	6.9
85.02838	16.3
87.00762	4.5
89.02334	30.7
93.97926	0.6
95.01310	4.0
96.95887	1.3
97.02823	1.3
99.00796	3.4
101.02345	44.4
113.02355	32.5
119.03409	13.4
121.02856	2.0
122.03629	2.3
125.02380	1.3
131.03429	3.2
134.03703	0.8
135.04370	1.0
136.70767	0.8
137.02383	1.0
143.03427	5.9
147.04440	1.3
149.04515	8.0
159.02969	0.7
161.04506	17.7
163.21777	0.9
165.05521	4.9
179.05556	5.1
179.07021	1.5
182.85197	0.7
188.35414	0.7
193.04871	0.9
203.05579	1.7
221.06636	5.7
267.07059	0.8
271.15335	0.7
308.25214	0.7
313.16650	3.1
328.13403	0.8
331.17673	18.2
332.17972	1.1
340.28049	0.7
346.14288	2.0
361.16577	16.4
362.16824	1.7
373.18735	100.0
374.19031	6.5
387.10910	7.3
388.11450	1.7
389.18179	0.8
447.08939	0.9
463.83023	0.8
508.85776	0.8
523.21948	41.9
524.22272	4.9
601.43616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79068	1.0
71.01248	2.6
71.61370	1.3
74.42515	1.2
76.70126	1.0
87.82613	1.0
89.02331	1.5
90.79668	1.0
101.02323	1.5
113.02372	1.9
146.03647	2.8
147.04453	10.9
148.05243	10.4
159.04451	12.7
160.05154	1.6
161.06004	9.5
162.06810	22.3
163.07391	1.8
172.05235	3.6
173.06024	18.5
174.03131	2.2
174.06760	3.2
175.03944	2.2
176.04716	1.7
185.06029	2.6
187.03986	4.3
187.07596	5.1
188.08244	2.6
189.05568	12.7
190.06233	3.2
201.05516	6.6
201.09172	2.8
203.07130	1.4
211.13434	7.0
213.09140	1.2
215.07109	4.2
216.07918	17.2
255.13783	1.9
257.15579	13.0
271.13376	1.4
277.21661	1.3
283.13416	2.7
285.15042	2.0
285.18732	2.7
297.15045	7.7
300.13840	7.4
313.18155	58.0
314.18494	3.7
315.16190	2.2
318.14789	2.2
323.16525	3.0
331.19186	17.3
341.17664	42.9
342.17953	3.7
359.18756	22.2
360.18887	2.3
372.10150	1.3
510.73349	1.4
550.53094	1.2
595.27728	26.9
596.28137	3.0
685.81750	1.2
789.40625	2.6
846.21130	1.2
878.40619	1.8
919.44739	3.3
920.42944	1.2
937.46118	100.0
938.46393	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.6
69.40918	0.3
70.83055	1.0
71.01269	2.5
72.99215	0.4
73.02843	0.5
83.01257	0.3
85.02839	0.5
87.00776	0.5
89.02338	1.3
95.04927	0.5
96.95928	1.1
98.95502	0.4
101.02347	1.7
105.03345	0.4
109.02854	0.7
113.02354	0.8
115.42244	0.3
119.03396	0.5
119.04978	1.0
119.24686	0.3
122.03668	0.7
129.03389	0.7
131.04919	0.3
133.02876	0.4
135.04445	1.3
143.04938	1.1
145.02829	0.3
145.06541	1.7
146.03688	3.2
147.04456	18.4
148.05254	7.0
149.06027	1.3
155.04977	1.4
158.03685	1.1
159.04459	26.2
160.05217	2.8
161.02408	1.3
161.06024	13.8
162.06593	0.5
163.03870	0.3
171.04471	1.0
172.05251	8.9
173.06033	40.2
174.03185	5.6
174.06769	6.3
175.03967	7.6
175.07568	0.7
176.04787	1.6
183.13919	1.3
185.06026	6.3
186.06818	3.7
187.03989	9.7
187.07599	11.5
188.04588	0.7
188.08328	2.5
189.05540	34.2
189.09128	1.1
190.05858	1.8
193.12341	0.8
197.06052	1.3
198.06796	1.1
199.07634	2.4
200.04823	0.7
200.08362	2.2
201.05556	13.1
201.09193	2.2
202.06023	0.5
203.07126	0.5
203.10713	0.5
204.04205	0.5
209.11934	0.4
211.07678	1.0
211.13387	15.2
212.08432	0.6
212.13702	0.5
213.05669	0.5
213.09180	1.3
213.12814	0.4
214.06335	0.5
215.07129	7.4
215.10727	0.6
216.07912	43.0
217.08264	2.5
217.12268	0.6
218.05847	0.9
225.09238	0.6
227.10760	0.7
229.08751	1.4
229.12346	0.9
231.13968	0.8
241.12411	1.3
243.13904	0.9
255.13982	1.8
256.14685	0.9
257.11948	0.7
257.15408	1.8
267.13916	1.0
268.11310	0.4
269.15561	1.2
271.13489	3.4
271.16724	0.7
272.13840	0.3
273.15005	0.6
275.12988	0.5
281.11829	0.4
283.13474	7.8
283.16467	0.6
284.14035	0.5
285.15030	6.2
286.15393	0.5
289.14517	1.3
290.15045	0.4
295.16861	0.6
297.15036	23.0
297.18265	0.9
298.15375	2.1
299.13031	2.3
299.16104	0.5
300.13739	23.4
301.14374	6.2
311.13098	0.6
311.16562	1.0
312.13605	0.8
313.18140	4.2
315.16061	8.7
316.16400	0.7
317.13983	0.9
318.14801	6.6
319.15396	0.8
323.16562	6.8
324.17026	0.5
325.14633	0.5
329.17581	0.5
330.14944	0.5
331.19162	0.8
339.16110	0.7
341.17636	82.9
342.17981	6.8
343.15503	0.4
359.18716	27.9
360.19131	2.5
415.21292	0.4
433.22198	0.6
537.24011	0.5
565.26343	0.4
577.26392	1.6
595.27740	28.9
596.27972	3.2
775.41132	0.5
789.41071	1.6
809.37793	0.8
835.39349	1.5
836.40118	0.4
878.41095	2.8
879.41119	0.8
919.45160	7.4
920.45807	1.6
937.46094	100.0
938.46411	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	927.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00209	0.6
68.75107	0.4
69.51202	1.7
69.51626	1.6
82.45146	0.3
83.01260	0.5
91.01783	0.4
93.53125	0.4
95.59567	0.4
107.01292	1.5
108.02099	0.4
109.02851	0.7
121.02838	1.4
148.01605	0.4
151.00302	7.1
153.01843	0.4
155.36066	0.4
163.00319	1.4
169.01343	0.5
178.99818	4.8
199.03966	0.3
201.05478	0.5
211.03937	0.5
215.03557	0.5
216.04045	0.4
226.02724	0.8
227.03503	1.8
229.04985	0.4
239.03455	0.5
243.03032	5.4
245.04509	0.7
254.02232	1.6
255.03011	16.1
256.03360	1.1
271.02530	35.5
272.02933	3.1
273.03864	0.7
283.02496	0.9
299.02045	1.3
300.02811	97.1
301.03540	45.8
302.04004	2.3
343.04605	0.4
421.38315	0.4
462.08041	0.4
463.08929	100.0
464.03125	0.7
464.09290	10.2
565.09039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01272	0.5
71.61295	0.5
73.40703	0.3
83.26633	0.3
85.02843	0.4
92.35403	0.3
109.02828	0.4
115.16629	0.3
121.02852	0.3
125.02344	0.7
131.01302	0.4
133.02878	7.8
134.03630	0.3
135.04462	0.7
138.05518	1.1
141.73724	0.3
147.04411	0.7
148.80829	0.4
161.02396	0.6
163.00243	0.8
163.03918	1.1
165.01935	0.9
165.05550	0.3
173.02406	1.1
175.00334	2.3
175.03978	1.4
177.01886	0.4
191.03497	0.5
193.01410	0.6
199.03928	0.5
201.01819	0.7
209.06190	0.4
212.28351	0.3
213.05443	0.4
215.03526	0.3
221.42976	0.3
227.07059	0.4
235.03978	0.4
237.05637	0.7
239.03571	0.4
240.04140	0.4
241.04935	0.4
244.71300	0.4
253.05128	1.1
265.05014	1.2
267.03024	1.3
269.04565	0.6
271.02649	0.4
283.06497	0.6
284.03299	4.1
285.04068	5.1
286.04251	0.4
297.04123	9.0
298.04825	7.4
299.05646	9.5
300.06064	0.7
309.04111	37.9
310.04471	3.2
311.05487	2.5
312.06116	0.6
316.02155	0.3
327.05157	49.1
328.05530	4.5
331.03967	0.4
339.05035	2.4
341.06802	0.3
357.06232	20.5
358.06433	1.7
369.06213	1.3
372.65607	0.3
393.06046	0.8
429.08340	8.1
431.09894	0.8
443.09622	0.4
447.09634	0.7
449.11160	0.4
473.11053	8.8
474.11279	1.0
479.08331	0.9
571.45526	0.3
593.15228	100.0
594.15527	15.6
735.02893	0.4
749.22766	0.4
858.71124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98295	1.2
71.01270	16.5
71.62089	1.9
71.62461	1.3
73.02836	1.8
74.47278	1.5
76.62479	1.1
80.02547	1.9
81.03357	1.5
83.01283	2.7
83.04919	4.7
85.02835	3.9
87.00775	4.3
89.02337	12.7
95.70921	1.4
96.95908	2.3
97.02840	3.6
99.00798	1.4
100.91692	1.4
101.02346	11.1
113.02363	6.7
119.03403	2.5
125.02338	5.5
130.46741	1.1
143.03410	2.9
161.04485	2.6
163.11200	3.5
165.12825	1.9
179.05544	2.8
197.36360	1.4
209.11821	100.0
210.12125	5.5
227.12926	11.3
235.08243	5.6
255.23314	51.6
256.23669	5.0
287.07870	2.1
305.08942	1.5
368.96188	1.3
379.12543	12.8
380.12759	1.7
397.08362	2.6
397.13574	43.8
398.13846	2.8
415.14908	8.0
441.01523	1.3
607.25934	2.4
653.37396	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	925.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	0.2
69.03348	0.4
69.80885	0.6
69.81183	0.2
71.01264	0.9
71.04899	0.4
72.99205	0.1
77.03864	1.0
79.01778	0.1
83.01266	0.9
85.02838	0.3
89.02343	0.5
92.82357	0.1
93.03361	1.2
95.01295	0.4
95.04938	0.4
97.02850	4.3
98.19809	0.1
99.00784	0.3
101.02348	0.3
103.29620	0.1
109.02856	0.7
113.02367	0.3
119.04932	0.2
121.02873	4.5
123.00867	0.1
135.04442	0.1
137.02376	17.8
138.02681	0.5
139.03937	6.5
140.02654	0.1
140.04274	0.2
141.01904	0.1
143.03458	0.1
146.03633	0.1
149.02388	0.2
150.03175	0.3
159.04462	0.5
160.01584	0.1
161.04550	0.2
163.00322	0.5
163.04008	0.2
164.01106	0.3
165.01888	100.0
166.02216	3.6
174.03148	0.2
175.03867	0.1
179.03645	0.1
179.05562	0.4
183.02948	0.4
185.06027	0.2
195.06543	0.2
199.03763	0.1
201.05508	0.3
207.02878	0.2
209.00937	0.3
213.05632	0.5
215.07132	4.4
216.07439	0.4
217.05029	0.3
227.03540	0.2
251.03557	0.2
255.27594	0.1
262.06424	0.1
263.03293	0.1
264.04395	0.2
265.04996	0.1
266.05814	0.2
273.05609	0.1
277.05045	0.2
279.03317	0.1
280.03500	0.1
285.05707	0.1
288.08051	0.1
289.05087	0.5
290.05838	0.2
291.03284	0.1
291.06812	0.2
291.10284	0.3
293.04617	0.4
293.08246	0.2
297.09131	0.1
299.10895	0.1
301.05045	0.3
301.08356	0.1
302.05948	0.3
303.03458	0.2
303.06625	0.6
304.04028	0.2
304.07465	0.4
305.04666	0.8
306.05435	0.2
306.08939	0.2
307.02695	0.1
307.06451	0.2
307.09875	0.4
309.07758	0.2
315.03030	0.3
315.06482	0.2
315.10059	0.1
316.03824	0.4
316.07181	0.2
317.04544	0.8
317.08197	0.3
317.11887	0.3
318.05106	0.2
319.02496	1.4
319.06195	0.9
319.09845	1.3
320.03381	0.2
320.06946	0.4
320.10324	0.2
321.04114	0.3
325.08722	0.3
327.07254	7.8
328.07471	1.0
329.04660	0.3
329.08273	0.4
330.05310	0.5
330.09009	0.2
331.06235	1.1
331.09891	0.2
332.03314	0.6
332.06967	1.3
333.04071	2.2
333.07660	0.4
334.04855	0.2
334.08435	0.2
335.02148	1.5
335.09277	4.0
336.10010	1.1
337.10904	5.6
338.11252	0.4
339.06586	0.2
341.04568	0.2
343.05997	0.2
343.09720	1.4
344.06760	0.2
344.10492	0.2
345.04019	0.2
345.08167	3.9
345.11435	0.4
346.08545	0.3
347.05643	0.9
347.09186	0.1
348.06458	5.2
349.06924	0.7
350.08017	0.4
353.04523	0.6
353.08362	0.3
354.09003	0.2
355.06110	0.3
355.09866	0.7
356.06790	0.4
357.07742	1.7
358.08456	0.7
359.05652	0.2
361.07242	0.3
361.10983	0.3
363.12479	0.1
369.07834	0.1
371.09311	4.6
372.09769	0.9
373.10867	4.5
374.07581	0.2
374.11313	0.4
375.05118	0.3
376.05911	4.6
377.06268	0.4
389.10394	11.6
390.10751	1.5
391.11951	14.9
392.12286	1.7
399.08652	0.2
417.09894	5.0
418.10254	0.6
433.13464	0.5
435.10931	18.3
436.11234	2.0
459.10699	0.2
477.11960	0.4
497.14685	0.2
533.12134	0.1
537.14221	0.2
553.17291	0.5
583.12573	0.7
597.16418	0.7
629.79663	0.1
701.19342	0.2
745.17914	4.4
746.18121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51456	1.9
69.51884	2.5
71.01268	10.0
73.02839	1.2
80.02567	1.0
81.03348	1.5
83.01289	1.3
83.04928	3.7
85.02853	1.9
87.00793	2.0
89.02335	8.9
95.01289	0.8
95.04939	0.9
96.38866	0.5
97.02868	1.0
98.19830	1.0
101.02348	8.2
113.02360	5.3
116.44752	0.5
119.03400	3.4
121.52090	0.5
125.02366	4.3
130.75145	0.5
131.03441	0.8
138.30930	0.5
143.03467	1.7
149.04431	0.6
161.04527	3.9
163.11241	2.2
165.12776	1.6
166.48018	0.5
179.05579	5.6
181.12317	0.7
199.06215	0.7
203.82367	0.5
209.11823	100.0
210.12122	5.1
217.07068	0.7
221.06645	1.7
227.12892	23.4
228.13342	0.8
235.08160	4.1
251.12836	0.9
253.09424	0.9
263.07816	0.8
277.21786	41.5
278.22131	4.2
287.07840	2.6
305.08838	2.4
321.27066	0.6
323.09863	2.2
378.75287	0.6
379.12488	13.2
397.13593	51.6
398.13794	3.2
404.55585	0.6
415.14658	11.6
416.14838	0.7
473.85043	0.6
589.25134	7.2
590.25842	0.7
607.26160	9.6
608.27026	1.2
657.34869	3.8
675.36285	3.3
676.35760	0.6
701.51025	0.7
867.47986	2.6
921.46362	31.4
922.46851	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	921.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10303	3.6
71.01271	12.7
72.99181	1.1
73.02831	1.3
83.01257	1.8
83.04912	2.8
84.18190	1.1
85.02828	3.0
87.00771	3.2
89.02328	12.8
97.02892	1.7
101.02339	11.7
103.46959	1.2
113.02348	8.3
118.57146	1.1
119.03403	4.5
125.02399	5.2
143.03435	2.5
148.55392	1.2
161.04451	5.2
163.11220	1.3
165.12837	1.6
175.36156	1.5
179.05565	6.5
209.11818	100.0
210.12132	4.9
217.07224	1.3
221.06689	1.5
227.12881	30.1
235.08231	5.3
277.21780	57.2
278.22104	4.2
287.07727	2.9
305.08713	2.6
323.09766	2.1
379.12503	16.6
397.13565	78.3
398.13940	5.4
415.14636	13.9
432.98679	1.1
443.88416	1.2
589.24939	8.1
607.26202	4.8
657.35071	4.8
658.34662	1.8
675.36053	9.6
676.36646	2.2
867.47437	3.7
885.47888	1.2
921.46313	41.2
922.47034	10.7
924.28491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	3.2
69.26830	1.7
70.57163	1.6
70.63039	4.0
70.63396	2.5
71.01270	100.0
72.99203	4.4
73.02838	31.0
83.01277	15.2
85.02843	40.3
87.00764	2.9
89.02341	30.6
90.02712	1.5
92.93236	1.9
95.01286	6.2
97.02854	6.1
99.00790	9.8
101.02354	59.3
113.02370	36.8
119.03393	3.6
125.02357	12.2
129.01822	2.2
130.09108	1.6
131.03426	8.2
143.03423	5.8
148.05273	9.3
149.04512	9.1
159.02895	4.5
161.04489	26.5
163.03896	1.7
163.07562	2.0
178.06291	2.1
203.05533	2.3
211.17041	6.4
233.06638	2.0
262.62088	1.6
293.08841	27.9
294.09167	2.1
355.21558	2.0
370.32285	1.9
373.22406	84.8
374.22623	5.9
415.23450	81.4
416.23572	8.3
459.22601	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	918.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53683	6.0
71.01260	1.4
71.84198	0.8
80.60506	0.7
98.20542	1.2
101.02328	1.5
146.03687	0.8
147.04459	9.0
148.05188	1.8
159.04459	9.9
160.05215	0.6
161.06004	2.1
161.93306	0.7
172.05219	2.8
173.06030	15.3
173.07268	0.6
174.03154	2.0
174.06793	1.3
175.04008	1.8
183.13750	0.7
185.06036	1.2
187.03922	2.6
187.07576	4.7
188.08276	0.9
189.05536	8.9
201.05614	3.6
211.13393	7.6
215.07076	2.8
216.07919	27.6
217.08347	1.3
246.01071	0.9
277.21725	4.1
281.32321	0.8
283.13419	1.0
283.26511	1.8
285.14957	2.2
297.15042	9.1
298.15405	0.7
300.13669	10.0
301.14169	1.1
313.18307	1.2
315.16132	3.6
318.14664	2.3
323.16589	2.2
341.17642	48.9
342.17984	5.1
359.14420	1.3
359.18735	17.2
360.19128	1.3
562.75604	0.8
577.26349	1.1
589.20532	0.8
595.27734	23.8
596.28241	2.1
596.79224	0.8
604.60559	0.8
639.01611	0.9
650.32275	0.8
752.53821	0.8
855.49182	100.0
856.49573	19.7
856.65826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00217	0.2
68.50449	0.2
71.01273	0.3
71.60309	0.2
72.70153	0.2
83.01270	0.2
85.02842	0.8
87.00777	0.6
87.50998	0.2
88.34418	0.2
91.01792	0.2
93.03366	0.1
100.24823	0.1
101.02332	0.2
107.01296	0.7
108.02051	0.3
109.02856	0.3
111.00799	2.7
121.02866	0.4
125.02315	0.4
126.55150	0.2
135.00826	0.4
136.58327	0.2
137.02377	0.2
148.85405	0.2
149.02431	0.2
151.00313	3.4
160.03984	0.2
161.02385	0.2
163.00291	1.0
163.03889	0.3
169.01373	0.4
173.00887	0.3
174.03177	0.3
175.00327	0.2
178.99794	2.2
185.60803	0.2
187.03990	0.2
188.04678	0.2
190.02635	0.3
191.00157	0.3
191.01909	2.6
192.00696	0.2
193.01366	0.2
198.03116	0.3
199.04079	0.2
211.03888	0.2
215.03525	0.3
216.04210	0.6
226.02740	2.9
227.03482	1.5
228.04124	0.2
243.03024	6.8
244.03534	0.6
245.04362	0.2
254.02260	3.4
255.03033	4.7
256.03470	0.4
271.02530	34.6
272.03046	2.7
273.03848	0.2
299.02036	0.8
300.02808	45.4
301.03513	12.1
302.03806	0.5
340.28046	0.2
343.04675	0.6
462.08151	0.7
463.08914	100.0
464.09219	7.2
637.30542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05875	0.9
69.03342	4.9
71.01273	100.0
71.63352	1.4
72.01617	1.8
72.99200	4.6
73.02837	93.8
74.03182	1.6
74.66647	0.9
75.00764	2.4
81.03355	1.0
83.01283	32.3
84.01621	1.1
85.02845	17.5
87.00780	3.0
89.02345	27.7
95.01295	6.5
96.95917	2.1
97.02856	3.8
98.19789	1.0
99.00793	3.2
99.04393	1.7
101.02351	97.8
102.02679	2.3
108.02110	1.0
113.02365	49.6
114.02685	1.0
119.03426	14.5
121.06516	1.5
125.02366	7.3
129.01826	1.2
131.03433	15.3
135.04456	1.1
136.98360	1.2
137.09656	16.5
138.09967	1.0
143.03435	12.4
147.02951	1.5
148.05255	2.5
149.04506	29.7
150.03142	1.7
155.03450	3.1
161.04507	41.4
162.04790	1.8
163.07626	1.1
165.05469	2.0
171.08049	1.0
178.77826	1.1
179.05606	1.8
187.11263	19.7
188.11620	5.9
189.12837	14.7
203.05649	5.4
207.13908	1.2
215.07155	1.8
216.07510	1.6
221.06677	16.8
237.56822	1.0
243.14125	1.3
293.08960	6.7
386.53644	1.1
391.11948	1.8
392.12402	2.3
393.12354	1.2
411.20364	8.3
618.57214	1.0
779.43170	1.1
874.63208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32212	1.9
69.32625	0.8
71.01271	9.6
72.99192	1.1
73.02836	0.7
83.01272	0.8
85.02852	2.5
87.00778	0.4
89.02335	7.6
90.60324	0.2
95.01288	0.7
96.95904	0.4
98.19841	0.6
99.00762	0.6
100.94778	0.3
101.02346	7.1
113.02366	3.3
119.03407	3.0
131.03427	0.3
134.03639	1.0
135.04436	0.4
140.07098	3.0
145.10222	0.3
147.04448	0.5
147.08028	0.2
148.05240	1.5
149.06004	0.4
159.04506	0.3
160.05273	0.5
161.02406	0.4
161.04610	0.3
162.03195	1.6
163.03932	0.3
163.11241	4.1
164.04762	0.4
164.11566	0.3
172.69431	0.2
175.03914	0.5
176.04773	0.5
177.05524	2.8
188.04764	0.3
204.02541	0.3
204.04204	1.2
205.05014	0.4
207.06651	0.9
207.10252	8.2
208.10574	0.4
214.06503	0.6
217.08849	0.3
219.06619	1.5
223.06068	0.8
229.08682	0.5
231.06538	0.4
235.05962	0.3
247.09593	0.3
249.07684	0.6
251.05641	7.6
252.06021	0.4
258.05350	0.5
273.07684	1.0
293.06644	0.6
385.72571	0.3
387.16690	100.0
388.17050	8.2
453.13974	0.4
470.76404	0.3
471.15161	2.7
515.14185	10.9
516.14709	1.1
551.93420	0.3
637.55847	0.3
829.92206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	0.6
69.33083	0.3
69.33485	1.7
71.01266	0.2
71.94357	0.2
85.42194	0.2
89.03866	0.3
91.01794	2.5
93.03385	0.2
96.95885	0.2
96.99216	3.3
98.20562	0.4
99.12112	0.2
108.02048	0.9
109.02864	2.6
117.03341	1.3
121.02862	0.6
123.04442	5.2
124.01579	0.5
132.07613	0.2
133.02950	0.3
134.03662	15.3
135.04497	1.2
137.02364	0.7
139.03922	0.4
145.02904	2.2
146.03674	5.7
147.04466	2.4
148.01575	0.7
148.05209	0.8
149.06023	2.1
149.78487	0.2
150.03166	0.5
153.05537	0.4
158.03677	4.5
159.04466	9.4
160.01567	0.6
160.04964	0.4
161.02258	0.2
161.06021	2.6
163.03943	1.4
173.06033	3.1
174.03218	0.3
174.06334	0.2
175.03925	1.1
178.02669	2.0
179.03368	0.3
187.03951	0.7
187.24348	0.2
193.05042	6.9
194.05338	0.5
207.06563	0.2
239.07188	0.4
241.05048	0.9
248.49809	0.2
249.05571	0.5
250.06351	0.6
251.07187	0.3
256.07343	0.8
265.08823	0.4
266.05872	2.5
267.06668	3.2
268.07306	1.3
269.04459	0.2
269.08191	0.9
271.09882	1.3
277.05096	1.0
280.07523	0.6
281.08255	6.7
282.08997	3.5
283.09744	2.3
284.10538	2.2
292.07471	0.2
293.08295	0.5
294.05368	0.5
295.06198	7.0
295.09567	0.5
296.06699	0.4
297.11264	0.3
308.06757	0.2
309.07712	1.1
310.08517	8.1
311.08981	0.6
325.10861	5.2
326.11209	0.7
327.62729	0.2
343.11908	1.5
354.03809	0.2
354.07510	1.4
369.09937	2.0
387.10944	100.0
388.11279	9.7
394.70050	0.2
463.09399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.6
71.01273	10.6
71.04904	4.0
72.99198	0.9
73.02834	2.0
81.03386	0.9
82.38918	0.6
83.01282	1.1
83.04913	0.9
85.02831	2.7
87.00759	2.3
87.56297	0.7
89.02336	8.5
95.01257	0.9
95.04908	1.7
97.02845	3.6
97.06474	2.9
98.19801	2.6
99.00782	15.5
101.02345	7.0
107.88623	0.8
108.10461	0.7
109.06507	1.2
110.03603	0.8
113.02390	3.2
119.03411	1.8
121.02808	0.5
123.08068	2.0
125.02335	2.4
125.09645	7.0
135.08105	0.7
141.01627	1.8
142.02635	1.5
143.03432	1.4
153.07639	0.6
153.12834	0.7
154.33649	0.8
155.14360	0.8
161.04538	1.2
161.09622	0.6
163.11224	9.6
166.65952	0.7
171.10167	4.3
181.10794	1.0
181.12303	13.5
182.12671	0.7
199.13377	7.0
201.11282	0.8
207.10255	21.4
208.10562	1.5
221.06767	0.8
225.11325	25.6
226.11728	2.0
230.36497	0.9
235.08331	1.3
243.12419	11.4
244.12828	0.8
277.21786	23.2
278.22083	1.9
305.09131	0.8
397.13638	4.5
415.14828	1.0
513.31952	0.7
623.26227	0.7
810.60126	0.7
901.48163	100.0
902.48444	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	901.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51988	0.6
68.18056	0.7
71.01269	11.0
71.04906	1.3
72.99207	0.8
73.02831	2.1
83.01268	1.0
85.02838	2.1
87.00748	2.1
89.02338	6.1
95.01242	0.9
95.04909	0.7
97.02844	4.5
97.06473	2.0
99.00790	15.1
101.02346	5.6
104.91341	0.7
111.00755	0.8
113.02332	3.1
119.03397	1.2
125.02376	1.4
125.09641	5.3
126.88981	0.6
135.08044	0.9
139.27103	0.6
140.76082	0.7
142.02632	1.4
142.26666	0.8
143.03432	1.2
144.45857	0.6
161.04472	0.8
163.11246	8.7
171.10286	3.3
175.35846	0.8
179.05582	1.2
181.10822	1.1
181.12314	13.7
199.13397	9.7
201.11214	1.5
207.10248	24.1
209.11656	0.8
220.39554	0.7
221.06647	2.8
225.11339	37.1
226.11668	2.5
226.23428	0.7
235.08241	1.1
243.12395	22.2
244.12657	0.9
277.21780	12.7
278.22119	1.5
379.12442	1.0
397.13712	3.5
415.15033	0.9
623.25275	1.4
641.26825	2.3
883.48077	0.8
901.48218	100.0
902.48669	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46529	1.1
70.75217	0.5
71.01263	8.4
72.99209	1.0
73.02835	0.5
81.97656	0.4
83.01278	0.8
85.02842	2.2
89.02338	5.7
95.01321	0.7
95.04915	0.4
96.95898	0.6
99.00766	0.7
99.04416	3.7
99.33039	0.4
101.02343	5.0
109.06490	0.4
113.02345	2.8
119.03394	2.0
134.03673	0.4
143.03433	0.5
150.03175	0.4
165.12755	2.8
179.05592	0.4
179.55161	0.4
189.12819	1.3
193.04945	0.6
207.13878	7.9
209.11813	17.5
210.12198	0.6
225.14969	5.7
227.13077	0.5
251.12878	3.8
269.04562	0.8
269.13989	38.2
270.14322	2.3
347.17374	0.7
387.10925	0.7
388.30206	0.4
417.11963	0.6
449.20367	100.0
450.20734	8.5
899.32709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91533	1.2
67.08517	1.2
69.03321	1.3
71.01272	67.1
71.63349	2.1
72.01624	2.3
72.99196	3.9
73.02837	18.0
73.14112	1.2
75.00773	2.4
83.01292	8.0
85.02850	26.1
87.00762	5.5
89.02337	29.5
95.01285	3.1
97.02857	2.2
99.00771	7.2
101.02348	37.6
111.00797	2.5
113.02369	22.5
119.03413	6.1
125.02393	9.6
129.07123	1.3
131.03436	6.9
133.06511	7.5
143.03433	4.2
145.01242	1.7
149.04510	11.0
149.06049	4.4
159.03000	2.0
161.04509	18.2
176.07037	1.3
187.09737	1.3
189.93469	1.2
190.62402	1.4
191.05571	1.8
205.12352	4.0
269.04523	1.5
293.08865	24.7
294.09149	1.4
369.19220	6.2
387.20334	56.1
388.20651	4.9
417.07635	1.3
429.21378	100.0
430.21643	9.1
507.79279	1.4
566.84338	1.5
901.42181	5.8
921.63428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72061	0.9
69.03374	1.9
70.94394	1.0
71.01267	16.1
71.59879	1.1
72.99210	1.8
73.02837	2.9
83.01280	2.1
85.02838	3.4
87.00767	3.4
87.72550	0.8
89.02347	11.4
97.02835	1.9
100.53543	0.8
101.02341	11.8
108.70040	0.9
111.00832	0.9
111.08063	1.1
113.02348	5.1
119.03395	3.2
120.47607	0.9
125.02382	2.5
127.91200	0.9
131.03426	1.1
153.12813	8.9
153.85591	1.0
161.04535	2.1
165.12801	6.7
171.13840	2.2
175.62772	0.9
179.05580	1.6
183.13867	52.0
184.14185	2.6
195.13881	4.7
197.11784	9.5
209.11758	7.6
213.53133	1.0
221.06670	2.0
221.33881	0.9
223.13374	3.2
225.11230	1.6
225.14635	0.9
227.12767	5.1
275.20291	2.7
287.07776	0.9
293.21295	19.8
294.21600	2.1
397.13608	7.3
415.14709	1.7
651.05359	1.0
901.48187	100.0
902.48596	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	897.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04990	0.6
65.04720	0.6
69.03343	1.5
69.99838	2.1
70.00245	1.4
71.01273	32.2
72.99200	3.0
73.02841	5.6
81.03377	0.6
83.01281	3.8
85.02839	8.5
87.00771	10.2
89.02341	27.8
91.03870	0.7
95.01296	3.7
95.19781	0.6
97.02851	2.1
99.00744	1.3
101.02346	28.4
109.02901	0.6
111.00777	1.2
113.02358	16.8
115.03962	0.7
119.03418	5.1
124.01629	0.9
125.02364	9.4
131.03441	5.7
137.89536	0.7
141.01601	0.8
143.03490	3.6
149.04547	0.8
161.04529	8.1
167.03415	0.7
179.05569	8.9
203.05586	1.6
221.06694	5.1
230.60271	0.6
235.08240	2.9
253.09360	1.7
263.07727	1.3
277.18985	1.0
277.21802	12.5
278.22101	1.0
312.76633	0.6
323.10168	0.8
365.10855	0.6
379.12476	2.2
383.12067	2.3
397.13736	7.2
397.18799	1.0
415.14706	3.7
439.14572	1.0
441.89853	0.6
449.13226	0.8
485.15323	2.1
491.06470	0.6
559.18903	100.0
560.19153	6.9
577.19958	30.6
578.19788	3.0
837.41302	10.8
838.42346	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	897.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23919	0.7
68.61566	0.7
69.66702	3.4
69.67123	1.4
71.01272	13.9
72.99200	1.1
73.02830	2.0
77.16248	0.5
79.48138	0.7
81.03352	1.1
81.27710	0.6
83.01278	1.8
83.04908	1.2
85.02830	3.8
87.00772	2.4
89.02336	8.7
89.02840	0.9
95.01270	0.8
97.02840	2.2
97.06482	0.9
99.00785	0.9
101.02349	10.3
102.90891	0.6
113.02348	5.1
119.03397	2.5
123.97255	0.7
125.02391	2.3
143.03514	1.0
153.38368	0.7
159.11713	1.0
161.04518	1.5
177.12804	9.3
179.05569	1.0
195.13890	43.7
196.14212	2.1
221.06590	1.8
221.11844	1.1
235.08258	1.1
239.12904	2.4
255.23283	0.7
277.21796	35.2
278.22086	2.4
279.85132	0.6
346.90601	0.8
359.28391	0.8
397.13629	5.7
415.14621	2.0
495.59842	0.8
619.26550	0.9
637.27350	1.1
866.04449	0.9
897.48730	100.0
898.49023	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	897.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	0.8
69.98773	2.0
69.99189	1.2
71.01274	16.5
72.99183	0.8
73.02835	2.7
75.00770	1.0
83.01290	1.9
83.04912	1.1
84.02098	0.6
85.02828	3.4
85.19914	0.5
87.00770	1.6
89.02337	12.0
89.02838	1.2
92.17474	0.5
95.01296	0.6
95.04942	0.7
97.02855	1.7
97.06482	1.1
99.00782	1.3
101.02345	12.3
109.37158	0.6
113.02354	5.4
119.03423	2.0
125.02371	2.8
129.23631	0.5
133.71631	0.6
159.11707	0.9
161.04489	2.3
177.12799	8.0
179.05550	1.7
195.13887	76.2
196.14178	3.1
203.10893	1.2
221.06709	3.5
221.11835	2.6
235.08202	1.6
239.12900	5.7
277.21790	21.5
277.24915	1.0
278.22144	2.4
370.03979	0.6
379.12744	0.9
397.13614	6.2
415.14716	1.0
463.84088	0.6
564.00940	0.7
637.27533	3.0
651.46918	0.8
897.48730	100.0
898.48987	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	895.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02312	0.1
65.00224	0.3
65.02030	0.1
71.61772	0.1
77.52115	0.1
81.29015	0.1
83.01263	0.1
85.02828	0.1
89.11529	0.1
93.03371	0.1
96.99179	0.1
101.02335	0.1
103.50117	0.1
107.01296	0.4
108.02116	0.2
109.02891	0.1
117.03351	0.2
121.02886	0.1
123.04394	0.1
125.02365	0.3
132.02104	0.1
133.02866	0.1
134.03642	0.3
138.82004	0.1
147.04448	0.1
150.03137	0.1
151.00320	1.3
152.01035	0.1
153.01877	0.3
158.03665	0.1
159.04424	0.4
161.06113	0.2
163.00311	0.3
165.01884	0.1
169.01355	0.4
173.06020	0.1
174.03188	0.2
175.03894	0.2
178.02657	0.1
178.99802	0.4
183.04480	0.3
185.06021	0.2
187.03993	0.3
192.04179	0.1
193.04976	0.2
199.03880	0.1
201.05614	0.1
211.03958	0.7
213.05565	0.3
217.05101	0.1
227.03503	27.3
228.03880	1.8
229.05077	1.1
239.03477	0.3
240.04297	0.1
241.04970	0.2
243.03261	0.1
255.03029	37.3
256.03622	5.3
257.04483	0.7
267.03329	0.1
267.06635	0.2
269.04617	0.1
281.08234	0.2
283.06302	0.2
284.03323	49.6
285.04016	13.8
286.04483	0.7
295.06241	0.2
299.05649	0.2
300.02878	0.2
310.08493	0.2
327.05252	0.9
357.05984	0.1
387.10971	2.3
388.11530	0.7
447.09412	100.0
448.09763	10.2
563.60553	0.1
579.05438	0.1
895.33002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	8.4
67.29829	0.4
69.03345	1.4
71.01272	16.7
71.54316	0.6
72.99198	1.8
73.02835	2.2
75.00771	0.4
80.96428	0.4
81.03346	0.9
83.01280	2.2
83.01732	0.3
83.04961	0.4
85.02835	3.4
87.00783	2.8
89.02340	12.2
95.01289	1.2
97.02843	2.0
97.06508	0.8
99.00759	1.1
101.02351	10.5
111.00806	0.4
111.08074	0.8
113.02351	4.5
116.92756	2.1
119.03419	2.4
125.02373	3.1
131.01715	0.4
131.03479	0.5
139.04021	0.3
143.03435	1.2
149.04605	0.3
161.04564	1.7
163.11166	0.5
165.12813	6.2
179.05550	1.5
183.13869	41.1
184.14238	1.6
191.07219	0.5
209.11899	1.2
210.01939	0.4
219.06531	0.7
221.06636	1.9
227.12875	3.0
235.08328	1.9
253.09378	0.4
263.07910	0.5
279.23349	53.1
280.23682	3.8
311.74564	0.4
379.12488	1.2
397.13672	5.3
415.14612	1.2
607.26019	1.0
625.27869	0.6
633.32611	0.4
749.87860	0.4
887.50275	100.0
888.50616	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	889.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97829	0.7
69.03335	1.9
71.01275	18.1
72.99189	1.5
73.02836	3.1
81.03352	1.0
83.01289	1.8
85.02844	3.9
87.00779	3.3
87.55271	0.7
89.01824	1.2
89.02338	12.3
95.01315	1.0
97.02846	3.0
99.00791	1.3
101.02351	11.5
111.08047	1.4
113.02353	5.7
119.03434	1.8
120.40674	0.7
125.02354	3.7
137.62701	0.6
138.11696	0.7
139.04080	0.7
140.02086	1.0
142.61488	0.7
143.03455	1.7
160.83623	0.7
161.04491	2.0
165.12805	6.0
179.05536	1.5
183.13873	41.5
184.14191	2.2
221.06769	1.7
227.12962	2.1
229.42517	0.9
235.08234	2.1
281.24930	62.3
282.25320	4.8
379.12357	0.8
397.13608	6.1
415.14798	1.7
446.11816	0.9
574.60315	0.7
607.26843	0.7
670.04797	0.8
889.51898	100.0
890.52106	23.9
902.66333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04034	0.7
69.03346	0.7
71.01267	2.1
71.62610	1.0
85.02853	0.7
85.50814	0.6
89.02335	0.9
101.02342	1.4
146.03639	1.2
147.04465	10.7
148.05290	3.1
148.59975	0.7
155.04987	0.8
159.04475	13.4
160.05209	0.6
161.06017	3.3
172.05225	4.2
172.59497	0.7
173.06032	21.7
174.03238	1.5
174.06677	1.8
175.03960	3.7
180.52928	0.6
183.13849	0.7
185.06071	1.7
186.06906	1.0
187.04047	3.0
187.07605	6.2
189.05537	11.2
191.11597	0.7
197.06038	0.7
199.07611	1.0
201.05544	5.7
201.09180	0.9
209.11824	2.5
210.12117	0.8
211.13399	8.1
215.07130	3.2
216.07936	27.1
217.08391	1.3
241.12253	0.9
255.23402	1.3
256.23700	0.7
257.15573	0.8
277.21732	4.0
283.13470	1.3
285.14969	2.8
297.15018	10.6
300.13699	7.4
301.14203	0.9
313.18329	1.2
315.16025	3.9
315.19397	0.7
318.14792	2.7
323.16815	3.1
341.17648	55.2
342.17917	4.4
359.18719	15.7
360.19067	1.5
397.13632	1.0
450.83118	0.7
577.26526	1.3
595.27740	23.7
596.27991	3.0
855.49237	100.0
856.49567	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	895.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02289	0.2
65.00211	0.8
69.48136	1.1
69.48560	0.7
77.03835	0.4
79.01758	0.5
83.01260	0.6
93.03360	0.8
105.03365	0.4
107.01283	1.8
108.02065	0.8
108.02737	0.2
109.02856	0.9
114.59138	0.2
117.03384	3.0
119.04951	0.4
121.02897	1.6
135.00774	0.7
135.04413	0.8
137.02374	0.4
147.04425	0.3
148.01611	1.1
149.02353	1.1
151.00308	6.6
159.04494	1.1
161.02414	1.2
163.00316	1.7
163.03986	1.2
164.01013	0.3
165.01848	0.3
169.01355	0.6
175.04018	0.4
178.99811	2.7
183.04506	0.3
189.01978	0.3
191.03513	0.5
193.01279	0.3
199.03836	0.3
201.05598	0.3
203.03470	0.5
211.03934	0.6
215.03523	0.4
216.04283	0.4
224.04657	0.3
226.02721	0.8
227.03539	1.6
229.04924	0.3
239.07193	0.5
240.04187	0.3
243.03001	5.2
244.03510	0.5
245.04590	0.7
254.02214	1.4
255.03017	13.3
256.03384	0.8
259.02438	0.3
268.03833	0.9
269.01895	0.2
269.04520	1.2
271.02530	31.8
272.02939	2.7
273.03964	0.6
281.04626	0.8
282.05246	0.8
283.02734	0.6
283.06155	14.2
284.06525	1.2
287.02032	0.9
293.04575	0.6
295.06052	0.4
297.04071	0.3
299.02023	0.9
300.02805	58.8
301.03519	23.5
302.04037	1.3
309.03970	0.4
311.05682	23.2
312.06070	2.0
316.02289	4.2
317.02954	0.7
323.05600	1.0
327.04861	0.3
341.06821	2.1
343.04803	0.5
357.09753	0.3
431.09906	36.4
432.10242	3.6
447.09607	0.3
463.08914	100.0
464.09232	9.5
464.15948	0.3
551.84509	0.2
724.46979	0.2
778.72784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.5
71.01262	3.7
71.62259	1.7
81.25195	0.9
85.02857	1.1
89.02351	2.0
96.95906	1.1
101.02335	1.6
130.84244	0.9
131.04921	1.0
140.61424	1.0
145.06543	2.0
146.03680	2.7
147.04453	20.8
148.05231	5.7
149.06001	1.3
155.05016	1.1
159.04466	27.9
160.05206	2.2
161.06046	8.4
172.05220	6.5
173.06039	39.9
173.07536	2.1
174.03191	4.1
174.06618	3.4
175.03989	7.9
176.04779	1.1
185.06009	1.8
186.06859	1.9
187.03949	4.2
187.07587	11.5
188.08333	1.3
189.05537	18.0
197.11835	6.3
201.05562	11.2
209.11794	1.5
211.13394	12.9
215.07130	5.5
216.07912	57.4
217.08238	2.3
271.13327	1.4
283.13412	1.1
285.14999	4.9
297.15018	13.9
299.12970	1.1
300.13727	15.4
301.14218	2.1
311.16602	1.2
313.18207	2.8
315.16037	4.5
318.14749	4.9
318.36133	1.0
323.16620	2.9
341.17645	91.7
342.17917	9.4
357.16940	1.1
359.18710	17.8
360.19034	1.6
433.22324	1.2
457.48453	1.1
577.26593	5.0
595.27710	37.0
596.28247	4.7
887.48169	100.0
888.48364	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	3.4
71.01270	100.0
72.01618	1.4
72.99191	4.5
73.02835	33.5
75.00769	3.2
81.03354	1.8
83.01273	14.7
85.02843	39.5
85.99999	1.1
87.00780	4.9
89.02337	39.2
89.95438	0.8
95.01295	7.0
97.02862	6.0
99.00784	10.3
101.02347	66.2
102.02660	1.7
111.00785	2.3
113.02354	33.7
115.03902	1.0
119.03409	3.3
124.01557	1.2
125.02368	17.6
129.01874	2.1
131.03410	9.9
133.06529	13.3
137.02332	0.9
143.03462	6.7
147.04437	1.7
149.04486	14.8
149.06001	4.0
150.03178	1.5
159.02946	4.9
161.04506	21.4
165.05528	10.0
191.05629	5.5
221.06570	1.3
229.40381	0.9
233.06653	3.6
293.08850	49.8
294.09137	2.0
355.21091	2.1
373.22397	59.4
374.22766	5.7
415.23474	53.0
416.23926	7.6
417.21533	1.0
427.16113	2.2
459.15079	1.2
459.22293	2.0
551.73773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.8
62.43232	0.5
69.03326	0.7
70.11298	2.2
71.01270	2.9
89.02334	1.6
96.95877	0.8
97.06488	0.7
101.02363	2.1
113.02369	0.7
117.06937	0.6
119.04956	0.7
135.04477	0.9
143.04924	0.5
145.06538	1.3
146.03642	2.8
147.04451	18.5
148.05273	5.0
155.04871	0.7
159.04463	23.5
160.05099	2.0
161.02452	0.7
161.06026	7.6
172.05249	6.2
173.06038	37.8
174.03166	3.5
174.06688	2.9
175.03973	6.2
183.13878	0.9
185.06064	2.9
186.06851	2.8
187.03979	5.0
187.07642	10.4
188.04834	1.1
188.08362	1.7
189.05548	17.8
190.05818	1.0
195.13925	1.7
197.06020	0.5
198.06859	0.6
199.07663	0.8
200.08382	1.4
201.05562	10.0
201.09149	1.3
202.05908	1.1
211.07715	0.6
211.13364	10.9
212.08298	0.7
212.13686	0.5
215.07108	3.9
216.07913	48.0
217.08228	2.9
221.15506	0.5
229.12231	0.5
243.13881	0.7
253.09468	0.8
255.13803	1.0
256.14667	0.8
257.15524	1.2
265.35037	0.5
269.15469	0.6
271.13419	0.9
271.17014	0.7
283.13443	2.0
285.15097	4.6
291.19675	1.7
295.17303	0.6
297.15039	12.4
297.18420	0.7
298.15417	1.3
299.12985	1.1
300.13727	15.4
301.14273	1.5
309.20883	1.1
313.18152	2.2
315.15930	4.1
315.82971	0.6
318.14835	4.0
323.16495	3.3
341.17636	83.6
342.17969	8.1
359.18689	20.5
360.19110	1.7
417.75873	0.6
577.26910	2.8
593.36182	0.6
595.27753	30.5
596.28119	4.1
630.62506	0.6
725.42773	1.0
791.26941	0.6
801.40234	0.8
887.48169	100.0
888.48431	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	887.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34978	0.3
68.27637	0.4
69.03344	1.7
69.63973	3.0
69.64373	0.6
71.01272	35.7
72.99191	1.3
73.02835	8.0
75.00741	0.8
81.03353	0.6
83.01280	3.5
84.33186	0.5
85.02848	13.5
87.00763	1.3
89.02336	16.6
92.41892	0.4
93.49837	0.5
93.70567	0.4
95.01281	2.1
97.02861	1.4
99.00792	3.2
101.02348	19.2
108.02082	0.7
111.00768	0.6
113.02359	12.2
119.03435	1.7
122.03699	0.6
125.02397	6.4
129.01813	0.6
131.03430	4.2
133.06517	3.5
143.03445	1.3
147.04431	1.3
148.05232	1.5
149.04585	5.6
149.06020	100.0
150.06351	4.8
159.02902	2.0
161.04520	6.5
165.05467	1.1
191.05664	1.2
211.17017	2.2
214.97089	0.4
228.07417	0.4
233.06609	0.5
293.08862	18.2
294.09171	1.1
355.21426	0.6
373.22382	16.4
374.22818	1.4
415.23495	23.6
416.23706	2.6
443.15634	18.6
443.21854	0.9
444.15710	2.1
453.41733	0.4
459.22638	0.5
501.89984	0.4
588.79413	0.5
725.05151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	0.1
68.99702	0.2
69.03341	0.9
71.01266	14.0
71.04916	0.2
72.01609	0.2
72.99194	1.2
73.02833	1.7
75.00779	0.2
80.02558	1.3
81.03343	1.7
83.01266	1.5
83.04914	5.4
84.02055	0.8
84.05241	0.1
85.02843	3.2
85.03364	0.2
85.99969	0.1
87.00768	3.4
87.04382	0.1
89.02335	10.9
90.02686	0.1
91.03910	0.1
93.03344	0.3
95.01286	1.2
95.04919	0.8
97.02258	0.2
97.02846	2.1
97.06485	0.2
97.13789	0.1
99.00791	0.8
99.04397	0.2
101.02345	10.1
102.02676	0.2
103.03936	0.1
107.03381	0.1
109.02849	0.3
109.06517	0.3
111.00779	0.3
111.04420	0.4
111.08084	0.2
113.02353	6.1
113.05997	0.1
115.03896	0.2
119.03413	2.9
121.02861	0.1
123.04475	0.2
124.01545	0.1
125.02366	5.1
125.05989	0.5
125.09595	0.2
127.03925	0.2
127.07574	0.2
129.01776	0.1
131.03412	0.6
133.05009	0.3
135.04399	0.1
135.08113	0.8
137.02391	0.1
139.03947	0.5
139.07584	0.2
141.01881	0.3
143.03426	2.0
145.05025	0.2
147.04446	0.2
147.11731	0.2
149.04497	0.3
161.04495	3.1
161.05858	0.2
161.09691	0.1
163.11230	4.3
164.11545	0.1
165.12805	2.5
166.13184	0.1
167.03421	0.3
169.04977	0.1
173.06084	0.1
179.05562	3.5
180.67656	0.1
181.12312	0.6
185.04503	0.1
189.05453	0.1
191.10744	1.2
199.06174	0.4
199.13333	0.1
203.05627	0.2
207.10268	0.1
209.11810	100.0
210.12146	5.0
216.07823	0.2
217.07126	0.7
221.06648	1.4
223.13391	0.2
225.11256	0.2
226.11763	0.1
227.12888	10.0
228.13150	0.4
233.11884	0.2
233.22829	0.2
235.08243	4.6
236.08647	0.2
245.06668	0.3
251.12929	0.9
253.09332	0.8
259.08197	0.4
259.20740	0.2
263.07764	0.4
275.20129	0.2
277.21768	39.6
278.22119	3.2
287.07785	1.5
291.23346	0.1
299.47192	0.1
301.09280	0.1
305.08826	1.4
319.22974	0.1
323.09869	1.0
341.11087	0.2
341.17838	0.4
361.11523	0.3
379.12512	6.2
380.12866	0.5
397.13571	29.9
398.13885	1.8
413.18475	0.1
415.14624	7.1
416.15176	0.5
497.20432	0.2
589.25110	0.8
595.27075	0.1
607.16919	0.2
607.26062	1.5
608.26971	0.3
657.34631	0.2
675.35779	0.5
885.47119	0.3
886.49603	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.2
67.01785	0.2
68.99726	0.1
69.03341	0.9
71.01267	16.5
71.04892	0.2
71.32517	0.2
72.01600	0.2
72.99195	1.5
73.02449	0.2
73.02834	2.5
75.00764	0.3
80.02570	1.2
81.03345	1.9
83.01276	1.9
83.04913	5.2
84.02061	0.7
85.02838	3.7
85.99973	0.2
87.00768	4.0
87.04398	0.2
89.02336	12.3
90.02712	0.1
91.03889	0.3
92.88394	0.1
93.03350	0.3
95.01282	1.4
95.04922	0.8
97.02844	2.4
97.06468	0.2
99.00765	0.8
99.04407	0.3
101.02343	11.9
103.03902	0.2
107.04913	0.1
109.02855	0.4
109.06505	0.3
111.00801	0.4
111.04418	0.6
111.08061	0.1
113.02353	6.9
113.06055	0.1
115.03930	0.3
119.02589	0.2
119.03407	3.0
121.02879	0.3
123.00763	0.1
123.04401	0.1
124.01564	0.2
125.02361	5.0
125.05992	0.5
125.09615	0.2
127.03915	0.4
129.01878	0.2
131.03424	0.6
133.04982	0.4
135.08109	0.7
137.02357	0.1
138.13533	0.1
139.03929	0.5
141.01849	0.4
143.03433	2.1
145.04997	0.3
147.11684	0.2
147.54492	0.1
149.02391	0.1
149.04477	0.4
151.03896	0.1
159.02930	0.1
161.03328	0.1
161.04497	3.0
163.11229	4.0
164.11511	0.3
165.12799	2.2
166.13147	0.1
167.03438	0.4
169.04956	0.2
171.02795	0.1
179.05563	3.4
181.04987	0.2
181.12314	0.6
185.04431	0.1
191.10725	1.0
199.06168	0.5
199.07753	0.1
209.11816	100.0
210.12149	5.0
217.07149	0.7
221.06630	1.2
223.13336	0.2
227.12888	11.0
228.13071	0.5
235.08253	4.6
236.08572	0.1
245.06708	0.4
251.12959	0.5
253.09268	0.8
259.08301	0.4
259.20602	0.2
263.07690	0.5
275.20032	0.2
277.21771	49.1
278.22119	3.7
278.37421	0.1
287.07748	1.6
291.23352	0.3
301.09354	0.1
305.08853	1.8
306.09268	0.2
313.18201	0.2
323.09860	1.0
361.11386	0.1
379.12524	6.0
380.12894	0.3
397.13586	34.1
398.13907	2.4
415.14655	7.8
415.18976	0.1
416.15207	0.7
589.24988	0.6
607.26123	1.1
657.34875	0.3
675.36145	0.9
676.36322	0.2
855.19604	0.1
885.48151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4873
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98717	0.7
68.99693	0.3
69.03352	1.7
71.01269	23.3
71.18977	0.3
71.19309	0.3
72.01590	0.4
72.99192	2.4
73.02834	3.5
75.00766	0.5
81.03359	0.7
83.01273	2.5
83.04916	0.6
84.02047	0.2
85.02840	5.1
85.99973	0.3
87.00775	4.4
89.02335	15.8
95.01285	1.8
95.04928	0.4
97.02842	2.5
97.06471	0.4
99.00788	1.6
99.04404	0.3
101.02345	15.4
102.02641	0.2
103.03920	0.3
109.02834	0.3
111.00773	0.6
111.04404	0.4
111.08059	0.8
113.02355	7.3
115.03951	0.2
119.03412	3.3
121.02912	0.3
125.02367	4.6
127.03925	0.4
131.03413	0.8
133.04950	0.5
139.03915	0.5
141.01950	0.5
143.03452	1.5
161.04517	2.3
163.11247	0.2
165.12801	7.5
166.13075	0.3
169.04962	0.2
179.05563	1.8
181.12328	0.2
183.13866	76.2
184.14214	4.0
207.13866	0.2
209.10143	0.2
209.11795	1.1
217.07153	0.3
221.06631	3.4
227.12895	5.7
228.13274	0.3
235.08238	2.1
249.54495	0.2
253.09308	0.5
259.20700	0.3
263.07669	0.5
272.27487	0.2
277.21780	30.0
278.22147	2.5
287.07779	0.4
297.01465	0.2
305.08795	0.4
323.09888	0.2
353.07782	0.2
379.12466	1.4
397.13559	8.2
398.14264	0.3
415.14636	1.9
563.27368	0.2
581.27625	0.5
607.25934	1.2
625.27045	2.3
626.27423	0.4
723.43518	0.2
867.47333	0.4
875.50085	0.2
885.48712	100.0
886.49023	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14309	0.3
69.03334	1.1
69.52223	2.6
71.01269	16.3
72.01615	0.4
72.99186	1.1
73.02831	2.8
81.03361	0.6
83.01275	1.7
83.04914	0.4
85.02839	3.5
87.00771	3.2
89.02335	11.3
95.01299	1.4
97.02851	2.2
97.06479	0.6
99.00782	0.9
101.02342	11.2
101.58466	0.3
111.00813	0.4
111.08054	1.0
113.02361	5.4
119.03423	2.2
125.02352	3.5
139.03882	0.4
143.03391	1.2
143.27423	0.3
145.04965	0.4
149.04482	0.4
161.04454	1.5
165.12804	6.0
179.05583	1.3
183.13866	39.5
184.14157	1.6
209.11803	0.9
221.06729	1.7
227.12897	2.7
235.08186	1.8
259.20645	0.6
263.07785	0.3
277.21768	42.8
278.22110	3.2
377.33005	0.4
379.12451	0.9
397.13657	6.7
398.13943	0.7
415.14487	2.0
435.11157	0.4
561.77301	0.3
607.26221	0.9
625.27240	0.9
756.05469	0.3
805.94873	0.4
885.48712	100.0
886.48999	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	0.6
65.86053	0.3
71.56059	0.7
96.95872	0.4
148.05219	1.1
199.04097	0.4
213.05644	0.8
214.06352	4.0
215.07028	0.4
254.09669	0.3
255.10294	10.2
256.10614	0.6
291.10202	1.1
301.08832	0.6
308.03546	0.5
315.10089	0.4
317.04236	0.5
319.09802	6.5
320.10519	1.5
327.10422	0.4
328.11151	1.4
331.06195	1.5
331.09995	1.0
333.04126	0.8
336.10049	0.5
337.10895	13.8
338.11072	1.2
343.09790	0.6
344.10513	0.4
345.11365	0.6
347.05576	1.8
347.09454	0.4
348.06357	1.3
349.07248	8.4
349.12302	1.1
350.07584	0.7
354.08917	0.6
357.07889	1.0
367.13120	0.5
369.15085	0.7
371.09448	1.4
372.10181	3.1
373.10709	1.1
375.08899	1.2
377.11996	1.1
378.12488	1.0
380.10526	1.1
389.10370	14.1
390.11005	2.8
395.12970	6.4
396.13531	1.0
403.15234	0.5
413.14005	1.4
431.15073	100.0
432.15399	11.3
453.13263	5.9
454.13367	0.8
598.62970	0.4
885.28229	1.9
886.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88053	0.5
69.03335	4.5
71.01270	100.0
71.60726	0.9
72.01606	1.1
72.02023	0.6
72.99199	4.9
73.02837	91.3
74.03165	1.1
75.00751	3.0
81.03366	1.4
83.01278	33.7
84.01595	0.8
85.02843	12.0
87.00774	3.3
87.04444	1.1
89.02335	28.3
95.01267	4.2
96.95913	0.6
97.02834	3.8
99.00790	2.1
99.04422	0.8
101.02345	95.5
101.06055	0.6
102.02702	1.4
111.00796	0.7
113.02357	42.1
114.02693	0.6
117.01893	0.8
119.03424	12.0
123.04433	0.6
125.02367	9.7
129.01845	0.7
131.03423	12.9
133.06522	4.1
137.02470	0.7
139.03900	0.6
143.03432	10.9
147.02957	0.7
149.04497	27.0
155.03427	3.1
161.04507	40.7
165.05571	1.1
173.09639	1.9
187.11217	0.8
189.12820	30.1
190.13084	1.3
191.05571	2.1
195.06535	0.6
203.05597	5.8
221.06673	12.5
233.06537	1.5
249.06140	0.7
261.12305	0.7
267.07239	0.6
282.08914	0.6
293.08865	19.0
294.09213	1.1
306.16882	0.6
319.98328	0.7
379.04358	0.6
405.51419	0.6
411.20111	3.5
427.16080	0.9
473.27759	0.9
703.31885	0.9
778.35529	0.6
780.02026	0.6
883.38361	4.1
884.38867	0.9
904.67847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	3.3
63.02293	1.3
65.00199	3.4
67.60942	1.0
70.27053	4.7
71.01270	5.5
72.99199	1.3
81.03360	1.1
81.30273	1.0
83.01279	2.3
85.02835	2.6
86.27100	1.0
87.00738	1.5
88.33568	0.9
89.02348	1.5
91.77059	1.0
96.95890	4.6
97.02829	1.3
98.20609	1.2
101.02355	1.1
107.01281	3.1
109.02843	3.4
113.02339	2.3
119.04944	1.9
121.02847	2.8
121.15250	0.9
123.04418	1.9
125.02378	12.9
133.02824	1.6
134.03636	1.1
135.04399	1.5
136.01587	2.9
137.02411	7.1
139.03902	1.0
139.73987	0.9
147.04411	3.2
149.02386	5.1
150.03137	3.9
151.00336	6.9
151.03925	2.8
153.01842	1.4
159.04416	1.6
161.02312	1.4
165.01857	1.9
165.05507	3.5
167.03427	2.7
174.03226	1.3
175.03963	1.4
177.01894	8.2
177.05357	1.3
185.02322	1.3
189.01846	1.2
190.02672	2.2
191.03474	53.0
192.00552	2.3
192.03761	2.5
193.01405	2.1
195.06549	3.1
198.03239	1.8
201.01901	1.9
201.03825	1.0
201.05525	4.9
203.03448	4.5
205.05081	1.8
214.88794	1.1
215.03519	1.2
217.01358	3.5
221.79407	1.1
227.03641	1.2
229.01424	9.6
230.02113	3.6
231.03014	6.1
231.06570	1.1
239.07224	2.5
266.05856	2.0
267.06720	1.9
269.04712	1.7
290.05734	1.2
291.10367	2.6
295.06158	2.3
305.06985	1.8
315.06622	1.2
317.06909	2.2
319.06131	2.1
319.09760	19.5
320.10349	2.8
330.08853	1.8
331.06262	1.5
333.04224	2.8
335.05652	2.6
335.09299	6.3
336.10117	1.6
337.10886	60.9
338.11154	5.0
347.05673	1.8
348.06406	6.2
349.07230	2.2
350.04184	1.8
355.05911	1.6
357.07706	2.1
358.08591	2.2
359.05511	1.8
361.07281	1.7
363.05087	1.9
371.09171	1.4
372.06253	1.4
373.07169	1.8
374.37268	1.8
375.08838	14.7
381.07669	2.5
389.10376	3.9
390.07352	6.3
391.08310	15.4
392.08618	2.0
397.10773	5.7
415.11807	2.0
433.09344	1.9
453.11865	3.1
470.94180	1.2
507.07080	1.8
522.58582	1.1
539.14423	8.3
549.11676	5.8
567.13068	8.2
609.14117	1.5
639.15546	1.9
666.02246	1.3
699.19543	3.4
713.26093	13.4
714.26379	2.4
755.19470	4.0
857.23132	1.6
875.24133	100.0
876.24451	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64621	0.9
66.54102	0.7
69.03356	1.1
71.01270	7.0
71.59258	1.2
71.59633	1.1
72.99189	1.0
73.02843	2.6
79.05421	0.8
79.95663	0.8
81.03356	2.0
83.01286	4.5
85.02853	3.8
87.00749	1.1
89.02311	1.7
93.03349	2.4
95.01289	2.8
95.04953	1.3
96.95910	14.7
97.02839	2.0
99.00784	1.8
101.02348	3.2
105.03380	0.8
108.04449	1.4
109.02859	10.3
111.04462	2.1
112.76363	0.7
113.02357	2.5
116.34772	0.7
117.18402	0.6
119.04953	2.5
121.02879	2.1
123.00813	3.9
123.04439	1.5
124.01578	2.3
125.02371	52.9
126.02717	1.2
133.02873	1.3
133.89389	0.7
134.03656	1.5
135.04427	2.1
137.02377	24.1
138.03137	2.3
139.03940	9.6
143.04982	1.0
145.06549	1.1
147.04449	2.5
149.02399	3.5
149.04660	0.8
149.06023	2.9
150.03177	1.7
151.03931	3.3
159.04451	1.9
161.02422	2.6
161.04549	1.3
163.00328	1.2
163.03998	1.4
164.01129	5.1
165.01900	15.5
165.05566	2.1
166.02652	1.1
167.03464	12.4
167.04874	0.8
167.72081	0.7
170.03723	0.6
173.06015	1.3
175.03967	4.1
176.04826	0.9
177.01904	4.1
177.05547	3.9
178.02634	1.8
179.03474	14.4
180.04169	1.3
181.05049	1.5
182.02179	1.4
187.04002	1.3
189.03932	0.9
189.05598	2.3
191.03456	1.1
191.07069	1.0
195.06670	1.2
195.85149	0.8
197.04488	2.0
199.04024	1.1
201.05592	1.2
203.03526	2.4
204.04231	1.8
213.01985	1.5
214.02675	7.7
215.03456	5.8
215.07114	0.9
218.05763	0.9
219.06622	9.5
221.04575	5.2
237.07678	0.9
243.03130	1.7
243.06676	1.5
251.07069	0.8
255.02962	4.4
256.03528	1.0
261.07666	3.0
283.02530	2.5
285.04272	0.9
291.10150	1.7
296.06680	0.8
297.04013	1.8
297.07553	1.0
305.06754	100.0
306.07156	6.0
307.06146	1.5
309.07779	1.3
317.04483	0.9
319.06375	1.4
319.09796	12.4
320.10455	2.5
321.07709	1.3
325.06900	0.9
333.04099	3.2
335.05701	2.4
335.09363	7.3
336.10007	5.4
337.10883	52.8
338.11270	4.3
347.05682	1.8
361.07370	1.0
417.25040	1.1
421.12955	1.8
423.07297	32.6
424.07709	4.1
443.11380	1.1
473.08618	1.8
533.12927	0.8
551.13647	9.0
569.14667	50.3
570.14966	7.1
707.17944	2.6
749.43640	0.9
839.20331	1.1
857.21423	0.9
875.33160	1.2
887.78424	1.0
907.82251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.2
71.01271	2.1
73.02827	0.8
85.02849	0.4
87.00777	0.2
89.02338	2.7
101.02342	1.1
108.02091	0.3
113.02361	0.6
122.03630	0.7
125.02354	1.2
131.03436	0.7
131.04929	0.3
147.04472	0.9
148.05220	1.4
149.06015	100.0
150.06351	4.4
161.04549	0.4
191.05600	0.3
212.59543	0.2
233.06822	0.3
293.08847	5.3
294.09286	0.2
324.96713	0.2
360.01648	0.2
443.15662	18.6
444.16022	1.7
825.13458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.7
63.99155	0.6
71.01270	2.7
71.56490	0.8
72.99200	0.6
84.54245	0.6
85.02854	1.0
89.02338	2.0
92.63768	0.7
99.00816	0.6
99.96633	0.6
101.02339	1.4
103.66682	0.7
113.02365	0.9
119.04931	0.6
135.04390	0.9
140.82843	0.7
143.04930	0.8
145.06494	0.9
146.03661	1.5
147.04446	17.4
148.05197	4.2
155.04890	1.0
159.03183	1.4
159.04453	21.2
159.05762	1.1
160.05069	2.2
161.04707	1.1
161.06013	6.7
171.04518	0.7
172.05243	5.0
173.06024	37.9
174.03174	1.8
174.06624	2.8
174.99193	2.2
175.03946	6.5
185.06085	2.4
186.06847	1.6
187.04015	4.3
187.07608	9.9
188.04657	0.8
188.08513	0.9
189.05533	14.9
195.13899	1.6
199.07700	1.6
201.05534	10.0
201.09160	0.9
209.11783	1.7
211.13373	9.4
215.07166	4.4
216.07916	53.0
217.00253	5.7
217.08450	3.2
223.13535	1.2
253.09251	1.0
255.13933	1.0
271.13504	1.3
275.20364	1.5
283.13519	1.3
285.14972	3.6
293.21237	3.8
297.15030	14.2
297.18372	1.5
298.15366	0.8
300.13696	12.0
300.90710	0.7
301.14020	1.7
313.18137	2.2
315.16156	3.5
318.14807	2.6
323.16385	3.3
341.17630	86.7
342.17990	8.6
359.18719	17.9
360.18954	1.2
433.22046	1.0
577.26715	3.1
595.27710	32.4
596.28131	5.1
691.32043	4.5
692.32135	1.0
871.48676	100.0
872.49060	24.9
872.62531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.39199	0.5
67.31973	0.5
70.10073	2.7
71.01277	1.4
74.03532	0.5
74.95863	0.5
83.04878	0.5
85.02854	0.6
89.02345	1.0
96.95924	1.7
98.20531	0.6
101.02392	1.1
107.10690	0.5
125.02384	0.6
146.03703	0.8
147.04442	5.3
148.05220	1.6
159.04489	5.6
160.05103	0.8
161.06049	2.3
172.05228	1.3
173.06033	11.2
174.03194	0.9
174.06778	1.6
175.04044	2.3
186.06827	0.8
187.04056	1.7
187.07570	3.3
189.05524	4.9
199.07675	0.9
201.05547	3.2
209.11812	5.7
211.13342	5.0
215.07162	1.5
216.07906	17.6
216.09877	1.1
217.08301	1.1
253.09355	0.7
253.42934	0.6
283.13461	0.7
285.15149	1.5
297.14987	4.6
300.13672	4.8
313.18039	0.7
315.16260	2.6
318.14926	1.9
323.16852	1.1
337.10916	0.9
341.17648	35.1
342.18076	3.9
359.18704	11.7
360.19180	1.8
577.26740	1.5
595.27704	21.4
596.27655	3.9
631.60657	0.6
787.39636	3.7
788.39496	0.7
805.40326	54.5
806.40625	11.5
837.43945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56124	4.2
71.01263	3.9
71.04898	1.0
72.99193	0.5
73.02821	1.3
80.96403	0.9
81.08306	0.5
85.02808	1.1
87.00754	1.1
89.02340	2.6
97.02831	0.8
97.06512	0.7
101.02333	4.3
109.06516	1.2
111.08078	0.5
113.02365	1.5
119.03420	0.8
143.03438	0.7
145.04935	1.1
161.04521	2.2
170.17430	0.5
171.10226	0.5
176.01494	0.5
179.14391	0.7
192.10521	0.5
195.13893	5.0
197.11726	0.5
221.15376	2.5
223.13338	1.8
233.15578	1.1
235.08252	11.3
239.16566	1.2
247.20636	1.3
251.16544	0.7
253.09300	13.3
273.18622	1.1
275.20358	0.6
277.21780	100.0
278.22128	8.1
290.21399	0.5
291.19708	15.3
292.20053	0.8
309.20776	39.9
310.21194	2.9
325.95627	0.5
380.95554	0.5
438.62201	0.6
463.43329	0.5
513.30872	1.6
514.31207	0.6
527.28900	0.7
535.41974	0.6
545.29688	1.3
865.50220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86215	0.2
61.98677	0.3
69.03326	0.5
70.68380	1.0
71.01272	13.1
71.01669	0.6
72.99180	1.2
73.02837	2.2
75.00764	0.3
80.02562	1.2
81.03361	1.9
83.01279	1.2
83.04912	5.4
84.02058	0.9
85.02853	2.9
87.00770	3.3
89.02340	10.8
95.01297	0.8
95.04865	0.5
97.02869	1.7
99.00786	0.9
99.04424	0.3
101.02353	9.4
109.02887	0.3
109.06528	0.4
111.00826	0.3
113.02362	5.6
119.03441	2.9
123.08701	0.3
125.02378	5.0
125.05972	0.4
131.03371	0.4
133.05017	0.3
135.07976	0.4
141.01831	0.3
143.03419	2.2
161.04483	2.7
163.11243	3.4
164.11386	0.4
165.12801	2.4
178.96140	0.3
179.05576	3.5
181.12308	0.5
189.24582	0.3
191.10773	0.9
199.06058	0.5
205.76408	0.3
209.11821	100.0
210.12151	5.3
217.07156	0.8
221.06668	1.4
227.12897	9.8
228.13234	0.6
235.08223	4.3
240.04205	0.3
245.06847	0.3
251.12984	0.6
253.09457	0.6
255.23335	42.3
256.23663	3.3
259.08121	0.4
269.25034	0.4
287.07828	1.7
305.08969	1.7
323.09949	0.7
361.11337	0.3
379.12515	8.2
380.12756	0.7
397.13602	30.5
398.13928	2.3
415.14648	7.1
416.15048	0.7
589.25073	1.0
607.26093	1.6
635.36670	0.6
653.37915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.9
69.47212	0.3
69.84248	1.5
69.84656	0.4
71.01269	18.9
72.99194	2.0
73.02833	2.6
81.03363	0.7
83.01274	2.0
83.04920	0.5
85.02840	4.1
87.00772	3.3
89.02340	13.5
90.13818	0.3
95.01276	0.9
97.02846	2.3
97.06508	0.4
99.00767	1.2
101.02346	12.1
107.11190	0.3
111.00817	0.5
111.04438	0.7
111.08083	1.0
113.02345	6.4
116.92793	0.7
119.03432	3.2
125.02351	3.6
131.03409	0.5
141.01836	0.4
143.03423	1.6
161.04462	1.3
165.12798	5.9
166.13152	0.5
179.05594	1.4
183.13869	61.0
184.14227	3.1
209.11916	0.7
217.95856	0.4
221.06660	2.4
227.12920	4.8
230.46379	0.3
232.93852	0.3
235.08221	1.9
253.09294	0.5
253.20676	0.3
255.23326	35.8
256.23685	3.1
379.12476	1.4
397.13593	6.4
398.14017	0.5
415.14584	1.4
416.73123	0.3
425.98431	0.3
426.76312	0.4
607.26355	0.8
625.27234	1.1
629.30865	0.4
863.50269	100.0
864.50586	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31982	0.4
69.03346	1.7
70.78310	1.1
70.78647	0.5
71.01271	16.2
72.99203	0.9
73.02845	2.2
77.12054	0.5
81.03342	0.6
83.01283	1.5
85.02847	4.0
86.41352	0.4
87.00775	2.2
89.02336	11.3
95.01292	1.3
97.00620	0.4
97.02850	1.6
99.00784	0.7
101.02347	11.0
111.04422	0.6
111.08010	0.8
113.02358	4.7
119.03416	3.0
125.02382	3.4
132.23717	0.5
143.03410	1.1
161.04451	1.3
163.11261	0.6
165.12816	5.3
179.05547	1.6
183.13878	35.3
184.14174	2.2
209.11888	0.8
221.06651	1.6
227.12895	2.4
235.08183	2.0
255.23338	50.3
256.23682	3.3
277.21707	0.7
379.12482	2.0
397.13654	5.6
415.14746	1.6
607.26654	0.9
863.50299	100.0
864.50647	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45506	0.6
69.45918	0.2
71.01270	1.6
73.02843	0.5
78.92100	0.1
83.01273	0.2
85.02837	0.8
87.00808	0.1
89.02345	0.3
95.01297	0.2
96.95924	0.1
97.02851	0.1
99.00797	0.3
101.02349	0.8
113.02345	0.6
135.04451	5.0
136.04770	0.1
149.05978	0.2
159.02946	0.1
161.04497	0.7
161.05939	0.2
163.03958	54.9
164.04292	2.4
164.05550	0.0
177.05586	0.2
178.06316	60.2
179.06679	2.5
193.08679	100.0
194.09001	4.5
289.16626	2.5
290.17001	0.2
397.14948	0.2
421.20853	2.2
422.21246	0.2
510.86719	0.1
863.36377	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01631	0.2
60.63090	0.2
61.04385	0.2
69.03342	1.1
69.54809	1.9
71.01270	17.0
71.04917	0.4
72.01600	0.4
72.99206	1.4
73.02834	2.4
75.00781	0.4
78.83918	0.2
80.02569	1.0
81.03342	1.9
82.41918	0.2
82.69396	0.2
83.01278	2.0
83.04920	5.0
84.02039	0.6
85.02843	4.2
87.00246	0.3
87.00769	3.9
89.02338	12.5
90.02635	0.3
91.03917	0.2
91.50130	0.2
93.03350	0.4
95.01299	1.4
95.04931	1.0
97.02852	2.6
97.06502	0.2
98.20586	0.4
99.00790	1.1
101.02348	12.4
103.05714	0.2
105.00542	0.2
109.02886	0.4
109.06495	0.4
111.00754	0.5
111.04455	0.4
112.92753	0.2
113.02357	7.3
114.02718	0.3
115.03899	0.4
119.03410	3.6
119.04800	0.3
121.20140	0.2
123.00830	0.3
125.02369	6.2
125.06013	0.5
126.66935	0.3
131.03398	0.6
135.08090	0.8
135.33768	0.2
139.03949	0.4
141.01672	0.8
143.03444	2.4
145.04987	0.4
161.04497	3.3
163.11230	3.6
165.12793	2.3
167.03409	0.3
169.04915	0.3
179.05559	3.0
181.12300	0.4
191.10719	1.1
199.06110	0.3
204.82658	0.2
209.11818	100.0
210.12157	5.6
217.07233	0.8
221.06723	1.4
223.13467	0.2
227.12891	11.9
228.13246	0.7
235.08252	5.1
253.09367	0.9
255.23337	54.1
256.23654	4.1
259.08316	0.3
263.07736	0.5
269.24957	0.5
287.07751	1.5
297.24399	0.3
305.08810	1.9
323.09985	1.2
361.11453	0.4
379.12543	9.2
380.12930	0.6
397.13596	39.9
398.13980	3.2
415.14661	8.3
416.15085	0.5
589.25330	1.0
607.25958	1.3
635.36908	0.5
653.37616	1.6
845.48474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88241	0.3
69.03340	0.5
71.01276	2.8
71.38988	0.6
73.02852	0.6
85.02847	0.8
87.00779	0.8
87.33692	0.4
89.02348	1.1
101.02341	2.0
109.02880	0.3
110.22073	0.3
113.02364	0.7
113.48443	0.3
124.83569	0.4
129.03386	0.5
135.04457	0.9
143.04918	0.7
145.06523	1.7
145.47234	0.4
146.03673	2.2
147.04453	18.9
148.05257	3.1
149.05984	0.4
155.05000	0.8
158.03670	0.7
159.04460	23.9
160.05209	1.8
161.04581	0.5
161.06018	8.7
171.04466	0.6
172.05266	6.2
173.06030	39.1
174.03162	3.5
174.06558	2.8
175.03938	6.7
175.07564	0.7
176.04497	0.4
183.13846	0.5
185.06007	2.6
186.06882	2.4
187.03987	4.4
187.07600	10.6
188.04689	1.0
188.08305	1.5
189.05544	16.7
190.05917	1.0
198.06735	0.4
199.07631	1.3
200.08383	0.7
201.05550	9.4
201.09195	1.0
202.05798	0.7
203.07100	0.5
211.13377	8.1
213.09325	0.5
215.07133	3.9
216.07909	57.8
217.08252	3.9
218.05930	0.4
229.12254	0.6
243.13881	0.4
253.09280	0.9
255.13895	1.0
256.14752	0.4
257.11975	0.6
257.15469	1.3
267.14090	0.4
269.15381	0.6
271.13620	1.0
271.17203	0.5
272.14148	0.4
275.13110	0.4
277.21786	13.6
278.22217	1.2
283.13513	1.5
285.15002	5.4
286.15405	0.8
297.15021	12.1
298.15292	1.4
299.13089	1.2
300.13727	13.3
301.14166	1.9
313.18030	2.0
315.15994	3.2
318.14789	2.5
319.15384	0.5
323.16553	2.9
341.17636	97.1
342.17996	10.4
359.18710	14.2
360.18945	1.1
382.37857	0.4
433.22583	0.7
547.62848	0.4
577.26447	3.1
578.26801	0.5
595.27728	29.6
596.27844	3.9
693.43506	0.5
855.49152	100.0
856.49481	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43652	1.3
60.01591	2.0
60.15651	1.4
61.98711	2.8
67.01739	1.5
69.03334	4.4
71.01270	100.0
71.04906	2.1
71.60507	1.5
71.60923	1.5
72.01594	2.7
72.99197	8.9
73.02832	27.6
74.75909	1.4
75.00751	5.3
79.49143	1.5
81.03351	2.8
83.01265	15.0
83.46748	1.5
85.02842	50.7
87.00778	11.8
87.04408	1.7
89.02338	34.5
93.07017	1.5
95.01283	12.4
96.95911	7.9
97.02845	7.5
97.06454	1.8
99.00778	11.8
101.02348	52.9
102.51579	1.7
108.02023	1.6
109.02863	3.4
111.00780	6.3
112.01579	3.9
112.84221	1.4
113.02358	57.5
119.03439	12.4
121.02868	1.9
121.21182	1.8
123.00774	2.0
124.01586	6.1
125.02375	17.3
129.01849	3.3
131.03455	2.6
134.03638	1.7
135.08112	2.4
143.03416	7.6
145.04042	1.9
149.02469	1.9
149.06012	56.6
150.03142	6.4
150.06380	8.5
151.06483	1.6
159.03009	2.7
160.03911	1.9
161.04533	11.5
163.03944	2.0
165.05478	3.3
167.03442	2.3
175.02452	3.0
175.03973	1.6
179.05603	2.3
180.04085	1.9
181.05005	1.6
187.13266	2.0
195.06578	2.9
201.14914	4.7
229.18083	15.9
249.05956	2.1
267.07492	2.3
296.90338	1.4
314.78336	1.5
341.27014	1.9
353.12497	5.3
359.28131	2.0
373.22122	2.9
391.23618	3.2
485.31461	10.9
486.32071	1.8
503.32422	23.8
504.32538	2.4
521.33514	8.2
532.92346	1.8
545.33075	2.8
611.34796	3.8
629.35529	3.0
647.36609	82.6
648.36835	15.2
665.37665	94.0
666.38031	14.0
683.38733	21.3
684.39252	3.2
707.38776	76.6
708.39081	12.1
725.39868	69.8
726.40002	12.1
740.00726	1.7
767.40778	21.1
768.40771	4.4
855.32068	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	855.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01592	3.5
60.53564	2.0
61.98708	2.7
69.03345	7.4
69.33521	16.4
69.33935	6.2
71.01270	100.0
72.01593	2.1
72.99203	7.9
73.02836	27.2
75.00780	2.9
83.01279	21.2
85.02840	58.4
87.00793	15.2
87.04402	4.2
89.02336	30.9
93.06999	2.7
95.01270	10.3
96.95925	7.1
97.02839	11.0
99.00775	15.4
101.02344	53.6
102.22619	2.3
106.06499	3.5
109.02857	2.6
111.00798	8.7
113.02360	63.8
119.03418	9.7
119.04900	2.3
120.04462	2.2
121.02816	2.5
122.06021	6.5
124.01566	8.0
125.02387	15.8
131.03394	3.8
138.05522	8.9
140.66670	2.0
143.03426	8.5
149.02328	2.8
149.06035	9.9
150.03134	3.7
151.00330	2.2
153.01884	2.8
159.02988	2.5
161.04501	9.3
165.05495	6.0
181.03308	2.6
181.72157	2.7
195.06599	3.3
229.18127	19.5
267.07343	2.5
289.11966	33.6
327.79486	2.3
333.10962	24.5
334.11508	2.1
359.28098	7.7
373.22424	3.9
391.23709	4.5
467.17422	2.2
485.31360	10.8
503.32401	29.6
504.32669	4.3
521.33411	8.9
629.36304	2.9
647.36713	66.9
648.37054	13.2
665.37671	84.6
666.37964	11.8
683.38782	20.2
684.38525	3.2
707.38629	69.4
708.38928	12.4
725.39856	75.6
726.39569	14.0
767.40845	19.8
768.41187	3.5
855.32483	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	847.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.0
69.03328	0.3
71.01268	10.9
72.99225	0.4
73.02837	3.3
75.00771	0.5
83.01259	1.5
85.02845	4.9
87.00787	0.8
89.02339	4.8
95.01321	0.9
97.02873	0.6
99.00817	1.1
101.02352	6.8
108.02129	0.5
111.00773	0.4
113.02348	4.5
119.03393	1.5
119.04922	0.3
125.02383	1.3
129.01860	0.4
131.03450	1.0
133.06528	1.1
135.04413	0.3
143.03470	1.1
149.04485	1.7
150.03235	0.4
152.96709	0.3
159.03040	0.5
161.04527	2.7
165.05560	0.6
171.13962	0.5
179.05632	1.0
193.05038	0.4
195.06644	0.3
223.75674	0.3
293.08911	2.4
294.09323	0.4
315.18115	2.4
333.19272	6.2
333.22940	0.4
334.19980	0.6
374.19385	0.3
375.20303	16.0
376.20663	1.6
419.13632	0.4
723.26825	0.4
803.35815	0.4
847.30695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01599	1.1
61.98741	0.3
69.03342	1.1
71.01270	14.2
72.99206	1.2
73.02840	6.5
75.00760	1.6
80.65880	0.3
83.01280	5.2
83.04940	0.4
85.02844	7.5
87.00783	1.2
89.02338	2.0
93.03383	0.5
95.01313	1.1
96.95926	1.9
97.02869	0.6
97.06508	0.4
97.79447	0.3
99.00774	2.8
99.01363	0.3
99.04420	4.7
101.02348	8.8
109.02818	0.5
109.06517	0.4
113.02364	7.3
119.03440	0.6
119.04909	0.3
121.02854	0.4
122.03663	0.8
125.02403	0.6
129.01894	0.4
131.03427	0.5
137.02411	0.6
143.03455	0.7
149.02425	1.3
150.03172	4.8
151.03880	0.5
159.02992	0.9
161.04501	5.1
163.04051	0.4
163.07549	0.7
164.04875	0.4
165.01930	0.6
165.05527	4.1
165.12810	1.5
175.02451	0.4
179.07141	0.4
180.04251	0.6
181.04953	0.4
189.12862	1.3
195.06633	2.0
207.13896	3.8
208.96931	0.3
209.11830	11.0
209.38211	0.3
210.12263	0.7
225.14957	2.2
227.03575	0.3
231.14163	0.3
233.11996	0.3
249.06094	0.6
251.12924	2.8
255.03084	0.7
267.07343	0.5
269.14008	25.9
270.14255	1.5
275.13068	0.9
281.04736	0.7
283.06131	1.1
284.03461	0.9
285.04236	0.7
293.14276	0.3
298.08594	0.3
311.05634	2.3
311.15225	1.2
331.17709	8.0
332.18268	0.6
333.10452	0.3
341.10461	0.4
341.16165	1.6
370.10977	0.3
371.17291	3.9
373.14005	0.4
373.18741	7.9
374.19479	0.7
431.10623	4.1
431.19293	31.5
432.19669	3.1
585.23877	0.6
642.13843	0.4
812.95703	0.3
849.28491	5.3
850.29657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.8
59.32523	0.2
65.00202	0.7
70.77499	0.2
71.01274	0.9
72.99168	0.2
73.02840	0.2
75.00753	0.4
85.02852	1.3
87.00787	0.3
89.02329	0.2
89.03851	0.4
91.01804	2.7
93.03370	0.2
96.95906	0.5
96.99212	3.8
101.02353	0.3
108.02087	0.9
109.02860	3.3
111.00797	0.3
114.01859	0.2
117.03378	1.0
119.04950	0.2
121.02863	0.7
123.04443	5.2
124.01577	0.6
124.04769	0.2
133.02910	0.4
134.03667	17.2
135.04381	0.8
136.01709	0.2
137.02365	0.8
139.03926	0.2
145.02898	2.2
146.03680	6.1
147.04456	2.8
148.01595	0.9
148.05209	0.9
149.02347	0.2
149.06001	1.9
150.03168	0.9
153.05537	0.3
158.03680	4.6
159.04463	11.0
160.01591	0.8
160.04897	0.3
161.02380	0.3
161.06015	2.5
162.06512	0.2
163.03969	1.6
167.03448	0.2
173.06033	3.7
174.03198	0.5
175.03943	1.1
178.02663	1.9
179.03511	0.3
186.03185	0.2
187.03925	0.6
191.01915	0.6
193.05042	7.1
194.05418	0.3
195.06592	0.4
207.06592	0.2
232.06081	0.4
233.04604	0.2
239.07144	0.4
241.04958	0.9
249.05588	0.4
250.06482	0.5
251.07146	0.2
256.07486	0.8
265.08743	0.5
266.05884	2.5
267.06662	3.6
268.07388	1.0
269.08145	1.0
271.09900	1.2
277.05154	0.6
278.05917	0.4
280.07498	0.7
281.08240	7.1
282.08966	3.3
283.09775	1.9
284.10556	1.5
293.04733	0.3
293.08194	0.4
294.05304	0.5
295.06189	6.9
295.09604	0.4
296.06659	0.5
297.11331	0.6
309.07751	1.0
310.08527	7.7
311.08896	0.6
325.10892	5.1
326.11191	0.4
333.10980	0.2
339.05273	0.3
343.11929	0.6
350.60431	0.2
354.07559	2.0
360.83594	0.2
369.09863	2.4
370.10229	0.3
387.10941	100.0
388.11282	8.6
393.77789	0.2
845.31287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
61.98693	0.6
67.01778	0.5
69.03339	1.0
70.84987	0.9
70.85333	1.0
71.01247	0.6
75.00793	0.5
77.03851	1.0
81.03350	1.8
83.01274	5.9
85.02821	0.5
91.01845	0.5
93.03354	1.7
95.01282	1.6
95.04917	1.4
96.95929	1.5
97.02832	2.3
99.00775	0.6
99.04402	1.1
107.04895	0.7
108.02077	1.0
109.02851	3.4
112.23626	0.5
113.02329	0.6
120.02058	1.3
121.00791	0.5
121.02875	1.9
123.00789	0.7
123.04431	0.6
124.01575	2.1
125.02364	73.5
126.02669	1.4
126.88816	0.5
133.02878	1.1
135.00784	2.2
135.04410	0.7
137.02373	24.9
137.05966	0.7
138.02686	0.7
139.03934	0.9
146.00504	0.5
146.03676	0.5
149.02322	1.4
150.03185	0.7
151.03911	1.7
157.06479	0.5
158.03677	0.7
159.00887	0.4
159.04474	1.2
161.02275	0.6
161.05977	1.0
163.00317	20.1
163.03926	2.3
164.01096	14.7
165.01871	15.8
165.05502	0.6
166.02335	0.5
167.03441	5.8
169.06613	0.4
173.06081	1.5
175.03954	1.6
176.01146	1.2
177.01886	5.0
179.03458	0.7
183.04439	0.5
183.08073	1.4
185.06021	1.7
187.03989	4.6
188.04710	2.5
193.06660	0.5
196.05261	1.2
197.06099	1.4
198.03217	1.3
199.03925	1.0
199.07594	1.2
200.04616	0.6
201.05588	2.9
201.09261	1.5
201.42114	0.5
203.03441	1.1
205.01515	0.7
205.05063	0.7
209.06047	1.4
211.04082	2.6
211.07622	8.8
212.04784	1.4
213.01920	0.6
213.05556	3.4
213.09047	0.6
214.02649	0.6
214.06329	1.8
215.03500	2.3
215.07091	2.2
216.04326	2.3
217.05110	2.4
219.02917	0.9
221.06035	1.1
222.06879	0.6
223.07637	1.0
224.04778	1.3
225.05559	1.9
226.02733	2.9
226.06357	1.0
227.03532	5.6
227.07074	7.1
228.04147	1.2
228.07660	0.9
229.05255	2.5
229.08691	17.0
230.09030	1.2
231.06621	8.0
237.05563	3.2
238.06313	1.8
239.03522	0.9
239.07141	22.0
240.04153	0.8
240.07478	1.3
241.05037	3.4
241.08870	1.0
242.06000	0.8
243.03059	2.0
243.06657	1.9
245.08263	0.7
249.05612	1.8
249.09160	0.7
250.06461	0.8
251.03526	3.1
251.07098	3.5
252.04195	1.3
252.07841	1.3
253.04999	1.0
255.03027	3.9
255.06609	4.4
256.03757	0.9
256.07156	0.8
257.04431	1.2
257.05124	0.7
257.08221	23.6
258.08627	1.9
261.05667	0.7
263.07104	0.8
265.05090	0.8
265.08704	1.6
266.05795	1.3
267.06668	40.1
268.04227	0.5
268.07104	3.5
269.04849	0.5
269.08157	2.8
273.03964	3.2
277.05118	1.0
279.03076	1.9
279.06711	3.3
280.03757	0.5
280.07336	0.9
282.05417	0.6
283.02493	1.9
285.04242	1.4
285.07755	4.5
285.10794	0.8
289.08691	1.1
291.06815	0.6
291.10168	0.9
293.08020	1.1
294.08768	0.8
295.06174	100.0
296.06534	7.6
297.07718	4.7
302.08374	0.7
307.09836	1.0
309.07758	0.7
309.11157	1.0
311.09180	1.0
317.04807	0.7
317.08356	1.7
318.08978	0.7
319.06326	0.9
319.09756	3.5
321.07834	1.2
333.11478	1.0
335.09207	2.5
337.10852	6.0
338.11102	0.8
339.08768	1.7
352.05930	2.4
357.07758	0.8
359.09256	1.5
361.10742	2.4
375.08725	1.8
377.10181	2.4
379.07950	0.8
380.05325	1.3
385.07275	1.2
387.08704	1.7
393.09961	1.4
395.11093	0.6
399.08429	0.6
403.08316	4.9
405.09894	7.1
406.10144	0.7
421.09378	18.2
422.09744	1.1
423.10931	36.1
424.11481	2.9
433.09482	0.9
463.11346	0.8
515.13428	0.6
515.47333	0.6
523.10492	1.0
541.11530	5.7
542.11731	1.1
559.12512	16.7
560.12952	2.0
571.12628	0.7
701.17108	0.8
719.17688	2.9
720.17749	0.7
809.18933	0.6
827.19788	2.0
845.20612	5.3
845.34491	0.6
846.20819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.0
61.98719	1.0
67.01767	0.6
68.99697	0.6
69.03353	0.9
69.57530	4.4
71.01279	2.0
79.91111	0.5
81.03351	1.4
83.01273	4.2
85.02849	1.0
93.03366	2.0
95.01289	1.8
95.04909	0.9
96.95913	1.6
97.02868	2.4
99.04446	1.2
101.02341	0.6
107.04945	0.8
108.02101	1.1
108.44604	0.5
109.02874	2.7
113.02413	0.7
119.04968	0.8
119.13660	0.5
120.02119	1.0
121.02892	2.3
123.00837	0.6
123.04469	0.9
124.01608	1.5
125.02367	84.0
126.02728	2.2
133.02921	1.1
135.00827	2.4
135.04471	0.5
136.01576	0.6
137.02380	25.2
138.03159	0.6
139.03923	0.8
147.04408	0.6
149.02365	1.7
150.03218	0.6
151.03946	2.2
159.04510	1.5
159.30917	0.5
161.06026	0.8
163.00319	19.5
163.03975	2.1
164.01089	13.6
165.01891	16.7
167.03465	5.4
173.06059	2.1
175.03935	3.3
176.01141	1.9
177.01875	6.2
178.02536	0.8
182.03764	0.8
183.08194	0.8
185.06075	1.4
187.03964	5.0
188.04726	2.8
189.01791	0.6
190.02655	0.7
193.05008	1.0
195.08199	0.8
196.05292	0.9
197.05981	1.1
198.03203	1.9
199.03999	1.1
199.07666	0.8
200.04828	0.8
201.01918	0.7
201.05557	2.5
201.09186	1.0
203.03499	1.2
205.01453	1.4
205.05040	0.8
209.06081	2.3
211.04054	2.3
211.07623	8.6
212.04752	1.9
212.08020	0.9
213.05493	3.6
213.09126	0.6
214.02762	0.6
214.06306	2.4
215.03558	2.8
215.07120	2.0
216.04285	2.5
217.05074	2.0
219.03030	0.7
221.06204	0.7
223.07692	1.2
224.04881	1.3
225.05536	2.1
226.02728	3.1
226.06377	0.8
227.03569	5.2
227.07130	8.1
228.04265	1.4
228.07767	1.0
229.05263	3.1
229.08708	19.0
230.09053	1.0
231.02965	1.2
231.06635	8.6
237.05626	2.9
238.06357	2.0
239.07144	24.3
240.04260	0.7
240.07544	1.5
241.05003	3.6
242.05859	1.4
243.03033	2.3
243.06696	1.4
249.05627	2.1
251.03583	2.3
251.07202	4.4
252.04167	1.4
253.05153	1.1
253.08554	0.5
254.05812	0.7
255.03036	3.7
255.06664	5.5
257.04889	1.2
257.08234	25.5
258.08627	1.8
265.05188	0.9
265.08768	2.9
266.05795	1.2
267.06674	42.6
268.07141	4.0
269.08240	2.7
273.04062	4.4
273.07129	0.7
275.07361	0.7
277.05273	1.1
277.08679	0.6
279.03033	1.2
279.06683	2.5
280.03827	0.7
280.07175	0.7
281.08340	0.8
283.02570	1.8
285.04245	1.7
285.07791	3.9
289.08615	0.6
291.10327	1.1
292.07401	0.8
293.05014	0.9
293.08295	1.6
295.06177	100.0
296.06558	7.9
297.07620	3.9
303.06729	0.8
307.09799	0.9
309.11255	1.0
317.08261	1.4
318.09085	1.4
319.09882	3.3
321.07727	1.1
333.11490	0.9
335.09351	2.2
337.10886	5.9
339.08871	1.7
349.11005	0.7
352.05881	1.5
357.07645	0.9
359.09354	1.8
361.10922	3.7
363.08908	0.7
375.08710	1.7
377.10437	2.2
378.10846	0.7
379.12244	1.2
380.05591	1.3
385.07364	1.2
387.08899	1.4
393.09705	1.3
403.08432	4.0
404.08594	0.6
405.09830	5.7
415.08359	1.5
421.09348	15.3
422.09940	1.3
423.10953	37.3
424.11249	3.1
433.09412	1.2
445.09830	0.8
461.08698	0.9
515.13190	0.8
541.11615	3.7
559.12567	15.8
560.12885	1.6
697.96222	0.6
701.16718	0.8
719.17535	3.9
720.18134	1.0
827.20258	1.7
845.20551	3.8
846.21521	1.2
855.71619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
61.98729	1.9
66.10191	0.6
66.98732	0.6
68.99695	0.7
69.03342	3.6
70.51448	0.6
71.01269	50.2
71.60905	1.2
72.99190	4.2
73.02834	13.2
75.00758	1.8
76.98623	0.7
81.03367	1.8
83.01276	9.6
85.02846	22.8
85.99987	0.7
87.00777	7.0
88.98695	1.2
89.02334	15.6
89.02856	1.2
89.18008	0.7
93.07014	1.5
95.01277	6.4
96.95928	3.3
97.02834	4.9
99.00792	4.3
101.02347	28.4
109.02891	1.6
111.00812	2.6
111.08092	1.9
112.01572	1.6
113.02354	27.0
115.03947	1.0
119.03403	5.2
121.02906	1.7
122.03653	2.0
123.00835	0.7
124.01603	2.0
125.02361	12.8
129.01826	1.3
135.08109	2.2
136.01637	0.9
137.02388	3.1
143.03444	3.9
149.02391	3.7
149.06035	0.8
150.03156	14.7
151.00262	0.9
151.03978	1.0
159.02930	1.6
161.04500	6.0
165.01865	12.5
165.05515	14.6
166.02689	2.0
167.03523	0.7
173.05054	0.7
176.81987	0.8
177.01968	0.7
179.03496	1.9
179.05551	0.8
179.06973	0.9
180.04233	6.7
181.05045	3.2
195.06599	18.0
199.11005	0.8
210.05450	1.1
211.17233	0.8
213.18605	4.6
221.80190	0.8
225.07669	6.7
282.93005	0.7
286.28723	0.7
314.02844	0.7
320.97488	0.8
343.28665	1.2
351.32529	1.0
352.00351	0.7
357.22882	1.8
373.13116	0.8
375.24210	1.6
378.36871	0.8
400.24902	0.8
413.91196	0.9
417.15765	2.8
469.31848	1.9
487.32883	9.6
505.34106	4.1
574.00311	0.8
583.35352	1.0
595.22076	2.5
601.37225	0.9
613.36658	1.0
631.37091	37.2
632.37756	3.7
649.38177	59.1
650.38519	8.3
667.39056	16.1
668.39380	1.4
691.39178	26.6
692.39661	4.3
709.40234	41.5
710.40594	4.6
751.41296	8.9
752.42407	1.4
839.31537	1.2
866.86060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.99829	0.6
60.01611	1.7
61.98702	1.3
67.01759	0.6
68.99744	0.6
69.03337	3.4
71.01270	43.7
71.62340	1.1
72.01607	0.9
72.99185	3.8
73.02835	11.6
75.00764	1.5
81.03348	1.5
83.01280	11.2
85.02847	21.5
85.99999	1.7
87.00767	5.4
89.02332	11.2
89.02837	0.9
93.03344	1.2
93.07028	1.0
95.01279	5.5
96.95906	4.1
97.02853	4.6
99.00785	5.5
101.02349	25.6
101.03016	1.2
109.02877	1.5
110.19798	0.6
111.00813	2.7
111.08088	2.8
112.01617	0.9
113.02361	26.6
114.38677	0.6
115.03957	0.9
115.51412	0.6
116.92802	2.0
119.03432	4.3
121.02905	1.9
122.03683	1.2
123.00860	0.9
124.00785	0.6
124.01609	2.8
125.02370	10.3
129.01881	1.2
135.04518	0.8
135.08105	0.8
136.01608	1.3
137.02415	3.8
137.03372	0.8
142.02744	0.6
143.03450	5.1
149.02367	4.7
149.95128	0.6
150.03174	14.3
151.00285	1.3
151.03949	3.6
159.02934	1.8
161.04509	6.3
164.04752	1.4
165.01866	10.9
165.05533	12.7
166.02701	4.2
167.03418	0.9
174.01692	0.6
177.05528	0.7
179.03426	2.9
179.05684	1.1
179.07127	1.8
180.04216	6.3
181.05038	6.7
182.05377	0.8
195.06615	15.1
196.07018	0.7
205.05089	0.9
207.06879	0.6
209.08159	0.8
210.05347	1.2
211.17180	1.0
213.18549	3.6
223.06030	0.7
225.07715	5.3
243.48976	0.6
261.64810	0.7
269.04587	0.6
279.23428	0.8
313.27747	1.2
343.28555	2.9
357.23010	2.7
373.13196	2.0
375.24020	3.2
403.14182	1.0
417.15717	4.8
421.15146	1.1
469.31635	5.1
487.32935	15.6
488.33450	1.7
505.34039	5.9
529.34308	1.8
541.33722	0.7
565.21130	2.6
583.35895	0.7
595.22491	2.1
595.35620	1.9
613.23462	1.0
613.36273	2.3
631.37164	36.2
632.37561	5.6
649.38177	62.0
650.38464	8.4
667.39313	14.6
668.40155	2.3
691.39301	26.5
692.39240	4.2
701.06976	0.7
709.40326	41.3
710.40637	6.4
751.41254	9.5
752.42316	1.4
839.31396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49728	0.3
59.01261	4.2
61.98722	0.8
65.99802	0.3
69.03340	1.0
69.92154	1.6
71.01269	3.6
71.04922	2.0
72.99200	0.4
73.02840	0.6
81.66357	0.3
83.04917	2.0
85.02832	1.0
85.06487	2.2
87.00747	0.4
87.04409	1.4
89.02354	2.3
95.01268	0.4
95.04926	0.6
96.95910	5.7
97.02821	0.4
97.06478	0.8
98.20491	0.3
101.02344	4.0
109.06509	2.6
111.04442	1.3
111.08083	0.8
113.02373	1.6
119.03422	0.7
121.06489	0.3
123.07993	0.4
127.07596	0.5
129.09126	0.7
135.11734	0.3
143.03401	0.5
161.04512	1.7
163.82309	0.3
167.10733	1.1
169.12231	0.3
177.12773	0.5
179.05615	0.5
179.10818	0.3
179.14403	1.9
181.12216	0.4
183.13956	0.3
189.16389	0.3
190.11336	0.3
195.13882	13.5
196.14218	0.9
205.12361	1.3
217.15930	0.8
221.15492	7.9
222.15776	0.4
223.13412	4.9
229.19545	0.7
232.48415	0.3
233.15468	0.8
235.08224	1.3
235.17079	0.6
238.10049	0.3
239.16525	2.6
247.20657	1.6
251.16516	1.1
253.09334	23.8
254.09679	1.0
273.18750	1.9
281.21051	0.4
290.49890	0.3
291.19739	28.9
292.20053	2.8
309.20786	100.0
310.21136	10.3
333.67218	0.3
361.60086	0.3
545.29614	3.8
546.30237	0.5
550.59381	0.4
601.41162	2.3
602.41516	0.4
629.41412	0.5
692.87054	0.3
837.50946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	0.8
68.99709	1.1
69.03352	2.4
71.01271	42.3
72.01609	0.7
72.99209	2.6
73.02837	10.3
75.00772	1.2
79.16293	0.6
81.03364	0.7
83.01275	6.8
83.01655	0.6
85.02841	21.8
85.99979	1.3
87.00764	3.4
89.02334	11.1
93.06982	0.8
95.01292	5.6
96.95925	1.9
97.02870	2.6
97.45535	0.7
98.20565	1.7
99.00784	5.4
101.02345	21.0
109.02883	0.7
111.00798	2.5
111.08092	0.9
112.01588	1.2
113.02359	26.8
119.03392	3.3
124.01601	3.3
125.02383	6.7
137.02403	1.1
143.03421	4.6
150.03195	0.8
151.04030	0.6
153.01907	0.9
159.02979	1.3
159.98843	0.7
161.04506	7.3
165.01971	1.1
165.05540	1.3
166.02734	0.8
189.61322	0.6
195.06693	1.4
198.61212	0.7
213.18658	1.4
225.07591	1.1
343.28659	1.9
357.23041	1.3
375.23865	1.5
469.31757	3.5
470.32608	0.7
487.32813	12.6
488.33020	1.6
505.33978	5.1
529.33966	2.5
547.35303	1.2
595.34802	0.9
613.36688	1.4
631.37109	26.0
632.37378	3.6
649.38141	40.4
650.38879	4.6
655.37366	0.8
667.38983	9.1
668.39624	1.2
691.39227	26.5
692.39673	4.7
709.40302	33.9
710.40753	4.2
751.41205	10.1
752.42230	1.7
757.70801	0.7
822.34271	0.7
839.38483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	2.2
58.61264	0.8
59.01264	50.9
61.13730	0.7
61.98711	2.0
63.74337	0.9
69.03330	1.7
69.93964	3.6
71.01268	51.7
72.99203	4.8
73.02831	8.4
73.57762	0.8
75.00769	1.0
81.03319	1.0
83.01278	5.7
85.02837	11.0
85.03297	1.2
87.00781	15.9
89.02335	43.8
91.03957	0.9
95.01303	3.7
95.63367	0.7
96.95917	2.0
97.02846	4.7
99.00768	2.8
101.02344	37.6
102.02674	0.8
109.02863	0.9
113.02361	25.9
115.03882	1.3
119.03425	9.7
121.02895	0.8
125.02372	13.8
131.03415	6.7
133.04980	1.1
137.02312	1.0
139.03952	0.9
142.88185	0.7
143.03471	5.7
149.02277	0.8
149.04532	1.6
157.04970	0.9
161.04500	12.7
167.03421	0.9
179.05582	19.5
203.05553	2.5
203.47337	0.8
209.11868	1.5
211.13405	0.9
221.06691	9.0
235.08307	5.3
253.09332	2.9
263.07809	1.0
277.21783	20.9
278.22079	1.7
323.09833	1.6
341.11166	1.0
341.17630	0.8
365.10797	1.0
379.12521	4.7
383.12076	3.4
397.13602	15.9
398.14523	0.9
415.14679	8.6
425.12875	1.4
439.14847	2.4
485.15222	2.9
523.17102	1.0
559.18921	100.0
560.19379	10.4
577.19952	36.6
578.19727	3.6
837.41858	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	837.43
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.6
60.12986	0.4
61.98717	2.3
68.21222	0.3
69.03345	0.8
69.66129	0.4
70.37378	0.4
71.01256	3.1
71.49467	0.4
72.99202	0.5
73.02832	0.6
80.02557	0.6
80.96371	0.5
81.03369	0.8
83.01289	0.8
83.04910	2.2
84.02073	0.8
85.02837	1.0
89.02351	2.1
91.05389	0.5
95.04861	0.7
96.95917	1.5
101.02350	2.1
102.56253	0.4
113.02364	1.5
119.03432	0.4
119.04948	0.6
123.00900	0.4
123.92780	0.4
129.03377	0.4
133.06436	0.5
135.04448	0.8
135.08069	0.5
143.04958	0.8
145.06505	1.1
146.03648	1.6
147.03299	0.8
147.04462	17.2
148.05263	4.9
149.06006	0.6
155.04945	0.5
158.03700	0.5
159.04466	23.3
160.05316	2.0
161.02446	0.7
161.06050	7.2
163.03992	0.5
163.11218	1.8
165.12793	1.3
165.62273	0.4
172.05261	4.8
173.06039	40.3
174.03157	3.0
174.06615	4.3
175.03952	6.7
176.04510	0.4
183.13765	1.2
185.06050	2.7
186.06847	2.2
187.03984	6.4
187.07626	9.0
188.04646	0.7
188.08325	1.6
189.05553	17.4
189.09172	0.7
190.05957	0.9
197.06116	0.5
198.06795	0.8
199.07730	1.0
200.08392	0.9
201.05550	9.5
201.09203	1.3
203.07140	0.6
209.11823	21.9
210.12192	1.4
211.13374	11.9
212.08389	0.5
212.13765	0.9
213.09154	0.7
215.07152	4.5
216.07922	55.9
217.08241	3.7
227.12897	0.5
229.12280	0.6
231.13959	0.6
241.12347	0.7
246.77676	0.4
253.09419	0.6
255.13829	0.7
256.14746	0.6
257.15460	0.9
267.13931	0.6
269.15549	0.6
271.13388	1.1
271.17154	0.5
275.12985	0.5
283.13507	1.6
285.15125	4.5
297.15030	16.1
298.15366	1.4
299.12921	0.9
300.13742	14.4
301.14227	1.3
311.16699	0.5
312.13684	0.5
313.18118	2.1
315.16104	3.9
318.14725	4.4
323.16602	4.1
329.14023	0.6
341.17651	95.0
342.17953	9.5
359.18729	23.4
360.19235	1.9
433.22513	0.8
577.26770	2.7
595.27722	34.9
596.28131	5.0
778.66766	0.4
787.39258	7.8
788.39398	2.0
805.40399	100.0
806.40747	24.8
837.44336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.89319	0.7
62.37387	0.7
71.00897	1.2
71.01273	16.4
71.61239	1.1
72.99200	1.6
73.02837	5.1
83.01273	5.3
85.02846	7.1
89.02335	6.0
95.01297	1.4
96.95917	1.6
99.00794	2.5
101.02341	15.5
108.02077	1.0
111.00800	2.3
113.02350	6.5
119.03418	1.9
123.04457	0.9
131.04945	1.2
133.02916	1.0
134.03644	3.7
135.04411	1.9
141.01871	2.0
148.01514	0.8
148.05241	9.5
149.06078	1.8
150.79628	0.8
159.03001	1.0
159.04399	1.0
160.01640	1.7
160.05283	4.3
161.02371	2.9
161.04482	5.5
162.03133	8.1
162.06715	0.8
163.03804	1.1
163.07561	1.8
164.04747	2.0
167.03549	1.5
173.06006	0.9
175.03987	1.5
176.01100	2.0
176.04721	3.2
177.05542	15.5
179.05673	0.9
179.07057	0.9
185.06087	1.7
189.05537	1.1
191.07178	2.4
194.02199	2.3
195.06618	2.4
201.05560	1.0
202.06276	1.7
204.04262	7.8
205.04839	1.7
207.06638	7.2
214.06326	2.6
217.05066	1.1
217.08719	1.2
219.06630	12.9
223.06120	2.0
224.06210	0.9
229.08730	2.3
231.06665	1.2
232.07413	2.5
235.06097	2.9
235.09570	1.3
235.11890	16.2
245.08142	1.0
247.09814	4.7
249.07849	0.9
251.05644	63.1
252.05995	2.6
258.05374	4.7
261.07776	1.0
273.07767	11.8
274.08136	1.2
277.13004	12.3
287.47586	0.8
291.08896	2.2
293.06720	2.8
321.11731	1.1
335.07834	4.8
352.97574	0.8
441.14163	1.5
451.21915	1.9
453.14313	2.4
471.15182	26.5
472.15384	2.4
515.14166	73.9
516.14459	8.4
679.83911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.6
60.91362	0.1
63.02275	1.8
65.00193	1.0
70.94769	0.1
71.01259	0.4
71.29581	0.2
81.03364	0.1
83.01272	0.2
85.02852	0.1
88.98683	0.1
89.02354	0.2
96.95915	0.3
101.02415	0.1
105.03362	0.3
107.01302	1.8
107.54668	0.1
117.03376	4.3
118.03729	0.1
121.02859	0.2
135.04456	0.3
148.01564	0.2
149.02364	1.4
149.99522	0.1
150.99258	0.2
151.00356	1.2
155.05014	0.2
159.04472	1.6
161.02446	1.0
162.18857	0.1
165.58479	0.1
169.06499	0.6
170.06931	0.1
171.04492	0.3
180.05809	0.3
181.06564	0.6
182.03694	0.2
183.04506	1.1
195.04512	0.2
196.05341	0.5
197.06056	0.8
199.04012	0.2
200.04837	0.1
201.05595	0.6
201.11319	1.4
203.03503	0.3
211.04001	0.4
212.04697	0.2
213.28978	0.1
224.04784	0.5
225.05544	1.8
226.05968	0.2
227.03477	0.6
239.03520	0.6
240.04370	0.8
241.04939	0.2
243.02950	0.1
255.23392	0.3
267.03003	0.4
268.03824	12.2
269.04599	100.0
270.04941	6.9
277.21732	0.3
281.04330	0.2
293.04498	0.3
311.05640	0.2
397.13477	0.4
413.08600	0.1
553.68994	0.1
559.15045	0.4
577.15631	0.9
586.40894	0.2
673.30450	0.3
695.85468	0.1
703.65808	0.1
837.37177	32.5
838.37506	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	835.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.5
65.00193	0.7
67.28413	0.2
71.01268	0.6
85.02874	0.3
89.03848	0.3
91.01801	2.6
96.95921	0.3
96.99216	3.3
98.20590	0.4
108.02083	1.1
109.02860	2.2
111.00744	0.3
114.51431	0.2
117.03401	1.0
121.02868	0.6
123.04436	5.8
124.01595	0.5
133.02875	0.4
134.03662	13.5
135.04294	0.2
137.02376	0.8
143.05029	0.3
143.65312	0.2
145.02873	1.9
146.03676	5.0
147.04472	2.1
148.01572	0.7
148.05197	0.7
149.06021	1.8
150.03160	0.8
153.05481	0.5
158.03691	4.2
159.04459	10.3
159.49644	0.2
160.01620	0.7
160.04893	0.4
161.02266	0.4
161.06012	2.7
163.02873	0.2
163.03946	1.2
165.01740	0.2
165.05507	0.4
167.06833	0.2
173.06056	4.1
174.03146	0.5
175.03966	0.9
178.02655	1.8
187.03957	0.8
193.05043	7.7
194.05391	0.4
195.06490	0.2
213.05582	0.2
227.03467	2.0
228.03897	0.3
228.34917	0.2
229.41357	0.2
239.07030	0.4
241.05084	0.7
249.05542	0.4
250.06331	0.6
253.05011	0.3
255.03047	2.8
256.03522	0.4
256.07462	0.6
265.05280	0.3
265.08621	0.5
266.05908	2.6
267.06702	2.1
268.07401	1.1
269.08136	0.8
271.09866	1.1
277.05121	0.6
278.05911	0.3
280.07458	0.5
281.08252	7.0
282.09024	3.2
283.09753	1.7
284.03287	2.9
284.10553	2.0
285.04150	1.2
293.08154	0.5
294.05292	0.4
295.06186	6.8
295.09589	0.4
296.06610	0.5
297.11292	0.5
309.07932	1.1
310.08533	9.0
311.08817	1.0
325.10880	5.9
326.11026	0.5
327.05386	0.3
337.07272	0.3
339.05212	0.4
343.12033	0.5
354.07458	1.9
369.09875	2.9
387.10938	100.0
388.11258	9.4
388.16269	0.5
414.61328	0.3
447.09396	5.2
448.09802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	16.5
65.90325	0.3
69.03351	0.4
70.43563	1.3
71.01270	8.0
72.99202	0.8
73.02837	4.5
75.00759	0.4
83.01265	2.0
85.02847	3.7
87.00773	1.3
89.02332	1.6
93.03364	4.0
95.01299	1.1
95.04915	0.3
96.49516	0.3
97.02856	0.6
99.00803	0.5
101.02350	5.5
105.03387	0.3
108.02073	0.8
109.02917	0.5
111.00800	0.6
113.02354	3.1
115.00378	0.3
119.03460	0.6
121.02867	5.9
122.03662	15.2
123.04509	0.5
124.01547	0.5
125.02348	0.8
129.01871	0.3
132.02109	0.5
132.15952	0.3
133.02841	1.6
134.03676	0.8
135.04443	0.8
136.01575	1.9
137.02377	1.1
143.03441	0.6
145.02907	0.4
145.64929	0.3
146.03673	0.5
147.04416	0.5
149.02385	21.6
150.03168	100.0
151.03511	3.7
153.01888	0.3
160.01678	0.5
161.02435	0.5
161.04517	1.3
161.05994	0.3
162.03160	0.4
163.03944	0.6
164.04761	3.3
165.05524	85.5
166.05861	2.9
175.02414	0.4
175.03922	0.4
177.05490	0.5
179.07077	0.4
180.04251	6.3
181.04478	0.3
190.06314	0.4
195.06607	40.1
196.06934	1.9
249.06062	0.3
270.05276	0.4
283.06204	0.5
296.07095	0.7
297.07687	1.1
299.09219	0.7
300.09674	0.5
306.61478	0.3
310.08527	0.4
311.09357	1.4
311.67191	0.3
312.09921	0.6
313.10843	0.9
325.10858	0.8
326.11539	0.4
329.10376	0.7
341.10504	1.8
342.11060	0.4
343.11987	0.5
344.12634	1.0
345.13342	0.5
356.12613	1.1
357.13528	1.2
359.15070	2.4
359.88718	0.3
360.15173	0.4
371.15070	1.9
373.12753	0.4
385.12915	0.6
389.16052	1.0
399.14505	0.4
427.16180	0.4
473.14658	0.7
485.14514	1.6
488.17249	1.9
489.17633	0.5
491.15350	0.5
500.17130	0.9
503.19995	5.1
504.19537	0.6
506.18149	1.6
507.19897	0.7
515.19385	6.7
516.19672	1.1
518.18060	1.0
519.19287	1.3
521.20349	4.7
522.20599	0.9
533.20532	8.0
534.20813	1.4
537.21313	1.2
545.17041	0.7
563.21460	21.4
564.21869	3.2
575.21429	20.4
576.21967	2.9
587.21930	0.4
593.22406	1.9
599.25177	1.0
600.25183	0.5
663.24603	4.3
664.25208	0.7
681.25616	8.4
682.25958	1.6
693.25305	0.4
699.26672	2.1
711.26367	0.5
718.77490	0.4
723.25696	0.4
729.27783	3.3
730.28247	0.5
741.27594	3.9
742.28107	1.2
747.28851	2.4
748.29144	0.6
771.28967	0.7
789.29889	10.8
790.30341	2.2
833.30334	1.4
833.45142	0.5
834.30908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72939	0.4
59.01258	6.1
63.76014	0.3
69.48047	2.6
71.01281	0.7
78.95793	76.6
80.96403	1.3
92.92706	0.8
96.96861	16.6
98.19810	0.6
104.95182	0.3
116.97173	0.6
134.98466	0.7
141.01630	6.0
142.02092	0.5
148.50676	0.4
152.99527	20.7
164.98701	0.3
177.47203	0.4
223.00125	8.6
223.02013	0.7
241.01204	33.0
242.01575	0.9
255.23328	56.9
256.23663	4.1
259.02234	2.8
261.00345	0.4
277.21780	35.6
278.22119	3.2
297.03857	1.4
305.02261	1.2
315.04892	1.2
338.93756	0.4
387.02628	1.1
391.22610	6.7
392.22836	0.6
413.20972	0.8
553.28125	5.7
554.28046	0.5
567.85284	0.4
571.28986	1.2
575.25995	1.2
817.58405	0.5
831.50470	100.0
832.50793	21.1
832.74353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	34.5
69.03333	0.9
69.43094	4.9
71.01272	15.2
71.01661	0.8
72.99200	1.3
73.02840	5.4
75.00780	0.7
83.01269	2.5
85.02836	6.9
86.00032	1.0
87.00786	2.0
89.02357	2.7
93.03367	3.3
94.09788	0.6
95.01305	2.3
96.95963	1.4
97.02847	0.9
99.00780	2.2
101.02348	9.0
111.00827	0.8
112.01545	0.6
113.02373	6.2
115.00298	0.6
119.03423	1.4
121.02866	6.2
122.03661	15.6
123.04485	1.2
125.02364	1.5
132.02057	0.8
133.02879	2.2
134.03683	2.2
135.04437	0.8
136.01613	1.9
137.02397	1.5
143.03442	1.0
149.02390	29.2
149.05988	4.4
150.03169	100.0
151.03792	5.7
151.05003	1.0
160.01695	0.6
161.04568	1.1
161.06038	0.9
162.03142	1.1
164.04724	5.9
164.06026	0.8
164.74150	0.6
165.05530	95.1
166.05885	2.9
175.04037	0.6
177.05635	1.2
180.04257	7.7
195.06610	38.0
196.07001	2.3
269.08368	0.7
283.10010	0.8
296.06937	1.3
297.07877	0.7
299.09335	0.9
311.09280	2.2
312.10349	1.0
313.10812	1.3
325.10913	0.8
326.11621	0.8
329.10309	1.1
330.11102	0.9
341.10483	1.5
342.11023	0.9
343.11813	1.9
344.12741	1.5
345.13397	0.8
355.11978	0.7
356.12726	1.7
357.13504	1.3
359.15131	5.2
360.85968	0.7
371.15118	3.8
373.12735	0.7
378.14755	0.7
411.10007	0.6
419.14511	0.7
435.13116	1.1
473.14767	1.2
485.14536	2.1
488.16983	2.7
491.16049	1.0
500.17249	1.6
503.20135	5.7
504.18048	0.8
506.18060	3.7
507.20206	2.0
515.19373	5.8
516.19769	1.1
518.18201	1.2
519.19971	1.9
521.20508	6.7
533.20477	9.7
534.20667	1.3
537.21100	1.0
545.16730	0.7
563.21509	17.6
564.21832	2.4
575.21472	19.6
575.30420	1.0
576.21552	2.3
585.23401	2.5
593.22455	1.7
626.41064	0.6
644.02020	0.7
649.70300	0.9
651.24481	2.4
652.24933	0.9
663.24573	14.2
664.24445	3.1
669.26599	0.8
681.25598	31.6
682.25885	6.1
699.26849	6.6
700.26898	0.9
711.26984	1.9
723.26611	2.3
729.27814	6.2
730.28021	1.0
741.27881	17.8
742.28210	4.3
747.28387	3.3
771.28558	1.7
789.29993	25.1
790.30396	6.2
833.29767	1.0
833.44794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
62.35269	0.1
63.02285	0.4
65.00196	1.3
71.01268	0.3
71.10192	0.3
77.92553	0.1
83.01278	0.9
83.50494	0.1
83.53098	0.1
85.02869	0.2
89.02332	0.2
91.01797	1.2
93.03362	2.0
95.01334	0.1
96.95931	0.2
96.99210	1.7
101.02332	0.2
107.01291	2.1
108.02079	1.3
109.02856	1.2
113.02403	0.1
117.03375	0.5
119.04949	3.5
120.05264	0.2
121.02859	1.7
123.00797	0.3
123.04441	3.6
124.01590	0.5
125.02338	0.2
130.04158	0.2
131.04968	0.6
133.02878	0.8
134.03656	3.8
135.00826	0.6
135.04170	0.1
137.02342	0.3
139.03865	0.1
143.04967	3.5
144.05319	0.1
145.02890	0.9
145.06433	0.1
146.03673	1.6
147.04419	0.5
148.01591	1.1
148.05222	0.5
149.02432	0.8
149.06015	0.4
150.03192	0.7
151.00304	9.5
152.00671	0.2
153.01866	0.3
158.03690	1.2
159.04459	2.8
160.01630	0.1
160.04942	0.1
161.02374	0.3
161.06010	0.8
163.00336	2.2
163.03949	2.9
164.01094	0.6
164.04544	0.2
165.01941	0.2
165.05511	0.5
166.06322	0.1
169.01384	0.9
171.04445	0.4
173.06027	1.1
174.03192	0.3
175.03951	0.5
178.02718	0.4
178.98221	0.2
178.99818	4.6
180.00237	0.3
183.04448	0.4
187.04007	0.6
189.05486	0.2
190.02574	0.2
190.99857	0.2
192.00587	0.3
193.01280	0.2
193.05013	1.6
198.03082	0.2
199.03970	0.4
201.05548	0.3
202.02618	0.1
203.03500	0.3
211.03938	0.9
212.04716	0.1
215.03461	0.4
216.04294	0.4
217.04991	0.1
226.02773	1.2
226.06339	1.1
227.03503	2.0
228.03955	0.1
229.05008	0.5
235.07658	0.4
236.08348	0.2
239.03522	0.2
239.07063	0.2
241.08707	1.1
243.03011	6.8
244.03484	0.7
245.04575	0.9
250.06406	0.4
251.07172	5.1
251.10172	0.2
251.10930	0.2
252.07904	2.0
253.08775	1.3
254.02298	1.8
254.09479	0.8
255.03026	18.2
256.03439	1.4
257.04425	0.2
262.06305	0.2
263.07208	0.4
265.08685	0.5
266.02441	0.2
267.10361	0.5
271.02530	40.1
272.03018	3.9
273.04062	0.8
279.06689	2.0
280.07455	4.9
281.07889	0.5
283.02496	1.0
284.03174	0.1
295.09839	4.4
296.10190	0.3
299.01987	0.9
300.02808	86.1
301.03531	40.0
302.03922	2.4
313.10806	0.2
324.06522	0.8
325.07123	0.1
325.12793	0.2
339.08807	1.6
340.09109	0.2
343.04630	0.4
357.09860	42.8
358.10229	3.7
463.08902	100.0
464.09219	9.0
517.03113	0.1
517.09882	0.1
571.92902	0.1
581.21759	0.1
729.27753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.70112	0.3
60.01598	0.8
61.98721	0.8
64.16962	0.3
71.01283	2.2
75.28600	0.3
83.01292	0.4
85.02860	0.5
85.92245	0.3
87.00777	0.4
89.02343	1.9
97.02853	0.4
101.02355	2.1
104.80470	0.3
113.02390	1.0
119.03415	0.4
125.02357	0.7
141.01631	57.3
142.01994	0.9
161.04588	0.3
165.01692	0.5
188.63609	0.3
197.87376	0.3
235.08344	0.5
243.04895	0.9
279.23358	6.6
280.23767	0.7
361.23682	5.0
374.60571	0.4
397.13580	10.9
398.13724	0.5
415.14618	2.1
419.11884	2.2
437.12857	4.5
454.08621	0.3
469.06912	0.5
677.37543	1.1
699.35730	3.0
700.35919	0.6
810.86865	0.3
851.91217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.5
69.25627	1.0
69.26055	1.8
71.01265	0.5
75.00754	0.3
77.03854	0.7
79.01830	0.2
89.03857	1.7
91.01802	0.3
93.03356	1.1
96.95959	0.4
105.03372	0.4
109.02876	1.8
117.03368	8.7
119.04967	0.6
121.02862	2.8
122.03640	0.4
123.04427	0.8
133.02887	0.4
134.03661	65.9
135.04050	1.9
136.05214	0.3
137.02402	1.9
139.03955	0.4
145.02902	0.6
146.03693	1.8
147.04459	5.4
148.05275	2.1
149.02368	0.9
149.06026	7.8
150.03137	0.7
150.06345	0.4
151.03842	0.5
158.03671	0.6
159.04449	2.8
160.05161	0.3
161.02422	1.4
161.05994	1.3
162.06839	0.6
162.50731	0.3
163.03943	1.9
165.01968	0.4
165.05522	0.3
173.06091	0.4
177.01952	0.3
178.02678	5.2
178.80911	0.3
179.03400	0.5
191.03488	0.6
193.05034	40.7
194.05400	1.9
197.06079	0.7
203.03499	0.4
211.07599	0.4
225.05489	0.3
239.07167	0.9
240.04343	0.3
240.39220	0.2
241.05124	0.4
243.06833	0.3
267.06683	0.9
268.03830	1.0
268.07382	0.8
269.04572	1.1
269.08194	0.9
271.09744	0.4
271.30350	0.3
281.04535	1.0
281.08203	0.9
282.05414	0.4
282.08929	0.6
283.06198	18.3
283.09714	2.2
284.06485	1.4
284.10614	2.4
293.04553	0.4
295.06274	1.2
297.11267	0.3
299.12778	0.7
309.04391	0.4
310.08505	0.8
311.05667	31.3
312.05984	2.3
323.05673	1.1
341.06720	2.8
342.07434	0.3
343.11874	6.9
344.12509	0.4
369.09799	0.3
387.10925	100.0
388.11276	9.0
431.09906	46.5
432.10263	4.6
469.91397	0.3
700.15363	0.3
819.24646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34586	0.1
61.98717	100.0
70.76289	0.3
117.30724	0.1
194.83356	0.1
209.11865	0.9
210.12239	0.5
211.12419	0.2
256.41373	0.1
277.21896	0.6
278.22171	0.6
279.22455	0.2
281.03711	0.2
302.91287	0.2
307.22852	0.1
414.16235	0.2
539.94037	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01601	0.7
61.98717	6.2
69.03327	0.2
70.12404	0.8
71.01271	2.4
73.02843	0.5
79.92381	0.2
80.96412	0.3
81.03365	0.2
83.01303	0.3
85.02853	0.5
85.16266	0.2
87.00781	0.3
89.02335	2.2
95.01297	0.2
96.99222	0.3
97.02869	1.0
99.00774	0.3
101.02355	2.0
113.02362	1.1
119.03394	0.4
125.02403	1.3
137.74724	0.2
141.01628	60.6
142.01985	1.2
143.03401	0.2
153.01712	0.2
161.04469	0.4
165.01724	0.3
179.05579	0.3
211.13881	0.3
218.93822	0.2
235.08192	0.9
243.04883	0.7
253.12068	0.2
257.06448	0.2
277.21771	6.0
278.22049	0.4
287.07855	0.3
305.08975	0.3
359.22134	4.8
360.22479	0.4
397.13589	10.9
398.14005	0.8
415.14716	2.4
416.15039	0.4
419.11801	2.9
437.12857	3.8
438.13004	0.5
617.34698	0.3
675.36121	1.1
676.36572	0.3
692.12836	0.2
697.34283	3.1
698.34412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01606	1.3
61.98717	7.4
61.99018	0.7
63.56312	0.3
69.03344	0.5
70.50273	0.3
71.01278	2.5
73.02838	0.5
79.95600	0.4
80.96395	0.4
82.95992	0.3
85.02834	0.9
87.00785	0.8
89.02336	2.4
92.93829	0.3
96.99221	1.2
97.02866	1.5
98.19804	1.0
101.02328	1.8
103.90507	0.4
113.02351	1.1
119.03443	0.7
125.02379	0.9
139.00226	0.5
141.01633	60.0
142.01990	1.4
161.04550	0.6
179.05531	0.7
199.91780	0.4
209.11800	0.9
229.25940	0.5
235.08136	0.9
243.04916	0.7
253.01630	0.4
257.53073	0.4
263.10733	0.4
277.21768	5.7
278.22284	0.5
293.21402	0.4
359.22009	4.9
397.13556	10.9
398.13947	0.8
415.14575	3.0
419.11786	3.0
426.48306	0.5
437.12787	4.1
478.75812	0.4
563.39520	0.5
675.36267	1.3
697.34106	3.2
698.33636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01601	0.8
60.86850	0.4
61.98724	1.8
63.09718	0.3
65.46368	0.4
68.41801	0.3
71.01272	1.9
73.02860	0.5
80.96413	0.7
85.02843	0.8
87.00777	0.7
89.02325	2.1
97.02856	0.7
101.02323	1.9
102.64284	0.4
113.02368	1.4
125.02351	1.3
127.48343	0.5
141.01630	61.9
142.01956	1.0
161.04384	0.5
235.08313	0.7
243.04865	0.5
251.34557	0.4
257.06488	0.4
277.21774	5.2
278.22098	0.7
313.18103	0.5
358.72913	0.4
359.22205	5.3
360.22656	0.6
397.13586	11.6
398.14127	0.8
415.14722	2.6
419.11856	3.0
437.12888	3.9
437.52634	0.4
631.03467	0.4
662.95203	0.4
675.36340	1.0
697.33948	2.8
698.34399	0.7
699.76477	0.4
817.52148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.1
60.82254	0.3
61.98706	0.4
63.97520	0.3
69.95959	1.1
69.96369	0.4
71.01267	2.9
72.99171	0.4
73.02841	0.6
78.95787	0.4
80.02548	1.0
81.03358	0.8
83.01273	0.6
83.04902	4.2
84.02062	0.5
85.02840	0.8
87.00769	0.7
89.02343	1.7
95.04928	0.5
101.02332	2.8
111.35459	0.4
113.02363	1.6
119.03455	0.4
121.79900	0.3
125.05974	0.4
126.90434	0.3
135.08076	0.7
143.03526	0.3
144.91867	0.3
145.05046	0.6
149.09625	0.3
159.26346	0.3
161.04492	1.4
163.11221	2.8
165.12802	2.4
179.05536	0.6
181.12263	0.7
185.56427	0.3
191.10741	0.8
209.11809	100.0
210.12119	5.9
227.12889	11.8
228.13196	0.7
235.08235	4.5
236.08696	0.5
253.09306	7.9
254.09563	0.5
259.15302	0.4
277.21771	86.5
278.22147	7.8
445.20776	3.4
446.21249	0.5
513.30896	1.7
525.86157	0.3
645.48151	0.3
769.21399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47217	12.7
71.01268	12.0
73.02856	3.3
78.98501	7.2
79.95630	16.5
80.96413	100.0
86.31298	3.6
94.97987	23.8
101.02339	4.9
106.22846	3.4
106.98056	6.3
122.97449	5.6
125.02388	3.4
134.97537	9.1
148.99068	9.8
152.98567	11.0
164.98579	15.3
167.56648	3.4
203.74524	3.3
225.00789	17.3
246.03778	3.3
255.23387	4.5
311.77118	2.9
815.50336	37.3
816.50116	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	813.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.1
62.87070	0.2
64.09841	0.2
65.00208	0.7
69.29785	1.4
69.30217	1.0
71.01261	0.5
73.02880	0.2
81.74323	0.2
85.02831	0.2
89.02326	0.2
89.03848	0.4
91.01783	2.9
93.03326	0.2
93.72499	0.3
95.60299	0.2
96.99213	3.8
108.02084	1.1
109.02848	2.6
113.02335	0.3
116.68491	0.2
117.03363	1.4
121.02872	0.8
123.04440	5.9
124.01540	0.5
124.04810	0.3
133.02902	0.4
134.03664	16.4
135.04359	0.4
137.02354	0.8
139.00275	0.3
139.03951	0.3
145.02885	2.3
146.03670	6.3
147.04478	2.7
148.01587	0.8
148.05244	0.6
149.02373	0.3
149.06024	1.9
150.03127	0.7
151.03929	0.6
153.05490	0.3
158.03670	5.4
159.04456	10.5
160.01610	0.9
160.04924	0.6
161.06012	2.8
162.06750	0.2
163.03944	1.7
165.05452	0.3
173.02380	0.2
173.06017	4.6
174.03154	0.4
175.03970	1.3
178.02635	1.8
179.03275	0.2
186.03145	0.3
187.03986	0.6
193.05022	7.6
204.38464	0.2
237.05499	0.2
239.07210	0.5
241.05090	0.8
249.05542	0.5
250.06393	0.7
251.07164	0.3
253.05087	0.4
256.07477	0.7
265.05197	0.3
265.08682	0.4
266.05920	2.5
267.06674	3.1
268.07352	1.2
269.08136	0.7
271.09778	1.5
277.05136	0.8
278.06012	0.3
280.07568	0.7
281.08249	7.4
282.08951	3.3
283.09756	2.1
284.10580	1.7
293.08310	0.7
294.05392	0.3
295.06183	7.0
296.06494	0.7
297.11374	0.3
309.07788	1.0
310.08514	8.7
311.09033	0.7
325.10855	6.4
326.11237	0.4
343.11951	0.7
354.07651	1.7
369.09863	2.4
370.10016	0.3
387.10934	100.0
388.11285	9.6
403.14117	0.5
452.98294	0.3
534.35651	0.2
779.73938	0.3
813.28174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.9
59.01263	8.0
61.71462	0.5
61.98730	1.4
71.01271	4.2
71.59772	0.8
72.99222	0.7
73.02847	0.7
73.12460	0.6
75.00764	1.2
83.01283	0.6
85.02863	2.2
87.00799	0.9
89.02348	1.1
93.03372	5.0
95.01283	0.9
96.95937	1.7
99.00761	1.2
101.02348	1.4
108.02071	1.2
109.02878	1.2
113.02376	2.2
117.03455	0.9
119.03445	0.6
119.04979	0.8
120.20796	0.5
121.02883	6.5
122.03658	15.5
123.04470	1.1
124.01576	1.2
125.02460	1.2
132.02039	1.2
133.02870	2.9
134.03714	3.1
135.04489	1.1
136.01593	8.3
137.02393	4.4
138.03195	0.8
139.03951	1.2
145.02879	1.7
146.03604	1.7
147.04478	1.8
149.02391	30.5
149.05992	3.1
150.03169	100.0
151.03976	22.0
152.01109	1.0
152.04393	0.6
153.01810	0.9
160.01599	1.9
161.02341	1.0
161.06032	0.9
162.03142	1.9
163.03958	1.9
164.04744	6.7
165.01894	8.6
165.05524	88.6
166.02602	1.2
166.05888	3.7
167.03328	0.8
168.04242	0.9
174.03154	0.8
175.02534	1.1
175.04005	2.7
176.04655	0.7
177.01877	0.8
177.05533	3.9
179.03508	3.7
179.05896	0.5
179.07129	4.9
180.04245	11.9
181.04953	2.5
188.04796	0.8
189.05510	1.3
190.06329	2.0
191.03407	1.2
191.07059	1.7
192.04192	1.0
193.05013	2.3
194.05804	2.8
195.06606	59.7
196.06940	2.3
205.05061	1.4
205.08650	2.4
206.05670	1.1
207.06587	2.5
208.07265	0.9
210.05417	0.9
225.07681	5.7
225.11255	1.1
242.09541	1.5
249.06155	0.7
251.09277	0.6
257.11938	1.5
258.08798	0.8
270.08969	4.1
281.04684	0.7
281.08029	0.6
282.08917	0.7
283.06238	0.7
284.06808	1.3
285.08026	1.1
285.11353	4.4
286.08426	1.0
296.06851	1.0
297.07724	1.4
298.08505	3.0
299.09207	4.3
301.10880	1.0
310.08524	1.3
311.09192	1.6
313.07251	1.1
313.10852	2.1
314.08005	4.3
323.09705	0.8
325.10846	1.8
326.07925	1.6
326.11328	1.2
327.08640	0.6
328.09570	1.6
328.13165	0.8
329.10327	11.1
330.10736	1.7
341.10352	13.7
342.10776	2.0
343.11905	3.4
344.08661	1.1
344.12714	18.6
345.13058	2.4
355.12070	0.8
356.12659	5.3
357.13397	0.7
358.14249	1.6
359.15082	31.9
360.15503	3.4
371.15060	23.3
372.15427	2.1
373.08542	1.0
373.12949	14.0
374.13345	1.7
374.84628	0.6
375.14349	0.8
387.16431	1.1
389.16156	8.2
421.15137	6.7
422.15512	0.8
524.74353	0.6
536.20856	0.7
537.21442	6.7
538.21362	1.1
566.20679	0.6
567.22375	12.4
568.22479	1.8
585.23645	3.1
586.23383	1.1
597.23444	2.0
613.22424	1.8
614.23444	1.5
615.24579	6.6
616.24713	1.1
621.23053	1.2
669.25586	1.0
715.17053	0.7
715.27863	7.4
716.27551	1.5
733.28833	0.7
745.28790	4.3
763.18799	0.5
763.30096	4.7
764.29437	1.1
767.32959	0.8
793.31000	1.5
811.30652	4.3
812.32098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
58.00478	4.1
59.01264	100.0
60.01603	1.1
61.98722	0.7
66.99678	0.3
71.01269	59.3
72.01631	0.7
72.99191	4.6
73.02838	1.8
75.00758	0.6
75.80212	0.4
83.01264	1.8
85.02845	11.7
87.00769	4.8
89.02337	70.9
90.02669	0.6
93.64271	0.4
95.01283	4.2
96.95907	1.5
99.00767	0.9
101.02345	25.8
107.03368	0.6
113.02354	23.8
114.02670	0.5
115.00280	0.4
119.03416	25.9
120.03712	0.4
125.02332	1.1
129.20044	0.4
131.03418	3.2
143.03435	7.4
149.02408	2.8
149.04468	2.6
149.93982	0.4
150.03152	2.9
154.87181	0.4
161.03268	0.6
161.04504	9.2
161.05838	0.7
162.03116	0.5
163.03928	0.4
164.04716	1.2
165.05545	2.3
174.03128	0.8
177.01871	0.5
177.05449	0.4
179.05573	30.2
180.04187	0.5
180.05862	1.0
181.05049	0.4
189.05428	1.2
195.06526	1.1
209.11606	0.4
211.96428	0.4
229.19739	0.6
237.79326	0.4
272.96481	0.5
283.09772	0.4
285.11526	0.5
297.14755	0.4
300.81482	0.4
327.12167	0.8
328.13028	0.9
329.10052	0.7
331.17422	1.7
341.10416	0.6
344.12405	1.3
359.15140	3.0
371.15112	2.0
373.18628	2.6
431.18954	0.6
507.19742	1.1
510.75104	0.4
519.20026	0.5
537.21417	14.4
538.21411	2.2
567.21893	1.7
807.30273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.7
59.83108	0.4
60.31427	0.4
60.99205	0.4
61.98731	1.6
66.27086	0.6
70.65676	1.6
71.01282	2.0
75.00749	1.0
84.68315	0.5
85.02838	1.0
88.98736	1.1
89.02329	0.9
93.03366	4.2
95.01303	0.5
96.95927	0.9
99.00787	0.6
101.02390	0.6
105.03412	0.7
108.02079	0.8
109.02868	0.6
113.02358	1.2
114.79037	0.4
121.02872	6.1
122.03661	15.8
123.00827	0.6
123.04517	1.0
124.01555	0.7
132.02101	1.1
133.02875	1.7
134.03703	1.0
135.04486	0.8
136.01588	3.2
137.02393	4.6
139.03900	0.6
141.02029	0.4
145.02879	1.0
146.03683	1.2
147.04506	1.4
149.02383	24.2
149.06009	1.2
150.03169	100.0
151.03960	7.5
160.01617	1.3
161.02452	0.6
161.06059	0.4
162.03113	0.6
163.03967	1.7
164.04738	5.8
165.01897	19.1
165.05527	98.5
166.02415	0.9
166.05896	4.5
175.03958	2.4
176.04660	0.9
177.01872	0.9
177.05547	1.4
179.03462	5.5
179.07137	3.1
180.04248	21.9
181.04796	1.6
188.04781	0.9
189.05676	0.7
190.06332	2.4
191.07082	1.9
193.05016	1.8
194.05817	2.7
195.06615	89.3
196.06955	3.9
205.08675	2.5
207.06610	1.7
208.07423	1.9
210.05281	2.3
222.08966	0.5
225.05505	0.9
225.07687	15.4
241.86098	0.5
242.09492	1.4
257.11829	1.6
267.06851	0.7
268.07449	0.6
269.08252	0.9
269.11899	0.5
270.09091	4.2
281.04343	0.5
282.08960	0.7
284.07004	1.0
285.08023	0.9
285.11386	4.6
286.08575	1.5
296.07004	0.5
297.07611	0.7
298.08475	3.4
299.09302	5.2
301.10864	1.3
310.08325	1.2
311.09308	2.4
313.07364	1.4
313.10889	2.1
314.08023	5.8
323.09399	1.0
324.10181	0.5
325.10785	2.0
326.07935	2.7
326.11414	1.1
327.08252	0.6
328.09601	1.0
328.13080	0.7
329.10370	14.7
329.14240	0.8
330.10736	2.0
339.12473	1.0
340.13306	0.8
341.10379	18.3
342.10760	1.7
343.11862	3.3
344.12711	24.6
345.13174	2.9
356.12732	6.6
357.13104	1.4
358.14084	1.7
359.15073	50.0
360.15433	4.5
371.15070	29.2
372.15591	3.0
373.13004	8.2
374.13223	0.8
389.16187	7.1
390.16458	0.7
403.14044	0.9
419.17276	0.6
421.15009	4.8
537.21741	3.7
538.22308	0.6
567.22449	13.6
568.22662	2.2
585.23645	2.6
586.23492	0.7
613.23181	1.0
615.24579	6.7
616.25342	1.0
715.27301	1.1
733.29315	1.0
745.27948	0.7
750.44122	0.5
763.29730	4.1
764.30640	1.1
774.29028	0.6
811.30560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	25.8
70.16210	0.6
71.01275	3.8
71.60463	0.7
73.02831	1.1
85.02848	1.2
89.02335	1.4
93.03366	2.3
95.01325	0.9
96.95912	9.0
99.00797	1.1
101.02355	1.3
109.02898	0.9
113.02387	2.1
119.03429	0.7
121.02858	3.4
122.03664	8.6
123.00754	0.7
123.04461	0.7
128.90123	0.7
129.01883	1.2
129.93764	0.6
132.46597	0.6
133.02873	1.8
134.03703	0.7
135.04411	1.1
136.01591	0.9
136.07562	0.6
137.02403	2.5
140.80272	0.6
145.02815	0.6
149.02373	25.5
149.05992	0.9
150.03162	71.9
151.03641	2.8
160.01663	1.2
161.04477	0.7
164.04750	7.5
165.01886	14.0
165.05525	87.0
166.02281	0.7
166.05821	3.4
167.03284	0.7
176.61180	0.6
179.03464	1.9
179.07065	1.0
180.04234	14.8
181.04829	0.9
190.06339	0.7
191.07118	1.0
192.04327	0.7
193.05109	0.7
194.05835	0.8
195.06602	54.0
196.06956	3.4
198.83438	0.7
205.08723	1.2
207.06604	1.0
210.05286	1.5
223.06030	0.8
225.07687	10.1
269.08298	0.6
270.09030	0.7
279.90967	0.7
283.09766	1.0
285.11456	1.6
286.08032	0.8
298.08261	1.0
299.09277	2.2
299.12643	1.1
311.09192	1.0
313.10754	1.3
314.07910	2.1
325.10968	0.8
327.12439	2.6
328.13144	4.6
329.10379	4.3
329.13803	1.1
330.10876	0.8
341.10345	6.7
343.15668	3.6
344.12671	8.0
344.16376	0.9
345.13202	1.6
355.11612	0.8
356.12918	4.8
359.15106	20.7
360.15561	1.5
371.15094	13.3
372.15451	1.6
389.16257	4.3
390.16461	0.8
454.26953	0.7
461.16357	1.1
492.17993	3.4
507.20477	9.1
508.20419	1.2
522.18750	1.2
537.21423	37.2
538.21777	5.2
567.22339	1.7
585.23511	100.0
586.23981	16.0
586.31354	0.5
615.24451	4.1
645.25500	0.9
807.29462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	25.8
70.16210	0.6
71.01275	3.8
71.60463	0.7
73.02831	1.1
85.02848	1.2
89.02335	1.4
93.03366	2.3
95.01325	0.9
96.95912	9.0
99.00797	1.1
101.02355	1.3
109.02898	0.9
113.02387	2.1
119.03429	0.7
121.02858	3.4
122.03664	8.6
123.00754	0.7
123.04461	0.7
128.90123	0.7
129.01883	1.2
129.93764	0.6
132.46597	0.6
133.02873	1.8
134.03703	0.7
135.04411	1.1
136.01591	0.9
136.07562	0.6
137.02403	2.5
140.80272	0.6
145.02815	0.6
149.02373	25.5
149.05992	0.9
150.03162	71.9
151.03641	2.8
160.01663	1.2
161.04477	0.7
164.04750	7.5
165.01886	14.0
165.05525	87.0
166.02281	0.7
166.05821	3.4
167.03284	0.7
176.61180	0.6
179.03464	1.9
179.07065	1.0
180.04234	14.8
181.04829	0.9
190.06339	0.7
191.07118	1.0
192.04327	0.7
193.05109	0.7
194.05835	0.8
195.06602	54.0
196.06956	3.4
198.83438	0.7
205.08723	1.2
207.06604	1.0
210.05286	1.5
223.06030	0.8
225.07687	10.1
269.08298	0.6
270.09030	0.7
279.90967	0.7
283.09766	1.0
285.11456	1.6
286.08032	0.8
298.08261	1.0
299.09277	2.2
299.12643	1.1
311.09192	1.0
313.10754	1.3
314.07910	2.1
325.10968	0.8
327.12439	2.6
328.13144	4.6
329.10379	4.3
329.13803	1.1
330.10876	0.8
341.10345	6.7
343.15668	3.6
344.12671	8.0
344.16376	0.9
345.13202	1.6
355.11612	0.8
356.12918	4.8
359.15106	20.7
360.15561	1.5
371.15094	13.3
372.15451	1.6
389.16257	4.3
390.16461	0.8
454.26953	0.7
461.16357	1.1
492.17993	3.4
507.20477	9.1
508.20419	1.2
522.18750	1.2
537.21423	37.2
538.21777	5.2
567.22339	1.7
585.23511	100.0
586.23981	16.0
586.31354	0.5
615.24451	4.1
645.25500	0.9
807.29462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.9
61.94629	0.3
63.25682	0.3
63.89556	0.3
64.64658	0.3
69.03335	0.8
70.91524	0.5
70.91832	0.4
71.01281	2.5
73.02834	0.5
80.02579	0.6
81.03347	0.9
82.56075	0.3
83.01269	0.5
83.04917	2.7
84.02071	0.9
85.02856	0.9
87.00784	0.9
89.02353	1.7
93.03349	0.3
93.17624	0.3
95.01293	0.4
95.04963	0.6
96.95937	0.4
101.02352	2.1
105.03410	0.4
108.98769	0.3
113.02365	1.2
119.04973	0.5
122.03687	0.4
125.06030	0.4
129.03372	0.4
130.04189	0.4
135.04538	0.6
143.05006	0.4
145.06546	1.3
146.03677	2.3
147.04457	18.3
148.05261	3.0
149.05969	0.5
155.04961	0.8
158.03629	0.6
159.04463	22.0
160.05215	1.6
161.02420	1.0
161.04659	0.4
161.06027	5.8
162.06502	0.5
163.11247	2.1
164.11597	0.3
165.12794	1.3
171.04515	0.4
172.05266	5.2
173.06039	37.6
173.84239	0.4
174.03188	3.4
174.06599	3.0
175.03975	7.0
176.04546	0.5
183.04558	0.4
183.13849	0.5
185.06090	1.8
186.06766	2.0
187.04015	3.9
187.07622	9.0
188.04807	0.5
188.08369	1.2
189.05550	14.8
189.09189	0.5
190.06012	0.7
191.10776	0.5
197.06073	0.7
198.06876	0.5
199.07640	1.0
200.08418	1.1
201.05562	10.0
201.09219	1.1
202.06093	0.5
209.11824	25.9
210.12144	1.8
211.13390	7.7
212.13686	0.5
213.09177	0.6
215.07133	3.3
216.07919	52.5
217.08249	3.6
218.05815	0.4
227.10803	0.5
227.12910	1.1
229.12520	0.6
241.12350	0.8
253.09203	0.5
255.13831	0.6
257.12177	0.4
257.15454	0.8
269.15677	0.5
271.13474	0.6
283.13464	0.8
285.15033	5.1
286.15582	0.4
290.15250	0.3
297.15033	10.8
297.18384	0.8
298.15347	1.0
299.12967	0.9
300.13730	12.3
300.17032	0.7
301.14117	1.4
311.13065	0.4
312.13754	0.5
313.18115	1.6
315.16122	2.6
318.14865	2.2
323.16495	2.6
341.17645	100.0
342.17972	10.9
359.18726	12.8
360.18988	1.5
411.96082	0.4
433.22446	1.0
577.26697	3.5
578.26605	0.5
595.27740	26.4
596.28229	3.8
643.33435	0.4
658.02972	0.5
787.39246	6.8
788.40173	1.3
805.40375	58.4
806.40613	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	805.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00433	0.6
59.01266	4.5
61.63955	0.5
61.98716	0.7
67.14856	0.5
69.03339	0.5
69.47322	1.8
69.47748	2.4
71.01264	3.8
85.02824	1.6
87.00765	0.7
89.02345	2.4
96.95930	0.9
98.19758	0.8
101.02348	3.2
105.03432	0.5
109.02855	0.9
113.02344	1.5
119.03405	0.6
135.04384	0.8
135.09229	0.5
145.06503	0.9
146.03680	1.8
147.04446	11.8
147.61853	0.5
148.05243	5.0
149.06087	0.5
155.04993	0.6
159.04465	16.6
160.05156	1.6
161.04698	0.9
161.06023	7.7
162.06747	1.0
165.12817	3.9
171.04430	0.6
172.05254	4.5
173.06036	24.8
174.03168	1.8
174.06628	3.0
175.03926	4.7
176.04849	0.6
183.13870	29.3
184.14236	1.2
185.06012	2.7
186.06850	1.7
187.03972	3.9
187.07613	6.7
188.04665	0.6
188.08273	1.4
189.05542	18.6
190.05934	1.0
199.07558	1.0
200.08447	0.8
201.05550	6.5
201.09138	0.6
202.05881	0.5
209.11884	3.3
211.13382	11.3
212.13701	1.2
215.07140	2.9
216.07910	31.8
217.08234	2.1
227.10886	0.7
227.12843	3.4
241.12259	0.9
253.09262	2.0
255.14061	0.7
257.15536	1.2
269.15454	0.7
283.13452	0.9
285.15060	3.5
289.17923	0.5
297.15060	11.2
298.15347	2.1
299.12997	0.8
300.10339	0.9
300.13718	14.4
301.14240	1.7
313.18076	4.8
315.16190	4.1
318.14810	3.7
319.15509	0.6
323.16583	5.0
331.19424	0.8
341.17630	57.2
342.17953	6.5
359.18701	17.3
360.18970	2.2
362.00058	0.5
416.41437	0.5
463.21927	4.5
471.63065	0.5
595.27643	9.3
596.28168	1.4
657.34814	0.6
761.41241	1.9
787.39685	2.7
805.40338	100.0
806.40717	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.2
61.98717	12.2
69.69128	1.1
71.01270	4.9
71.59763	1.3
72.99191	1.1
76.76089	1.2
83.04922	2.7
87.00729	1.4
89.02328	3.7
96.06882	1.0
101.02338	4.6
113.02335	2.5
127.11227	1.8
144.26051	1.3
145.05058	1.5
163.11269	1.9
165.09076	1.3
165.12802	1.7
166.45885	1.5
201.11293	42.1
202.11557	1.8
206.60399	1.1
209.11810	98.7
210.12114	5.5
227.12881	12.2
235.08246	7.0
253.09283	11.7
256.81863	1.2
277.21765	100.0
278.22137	9.4
419.19357	2.1
437.20435	2.8
445.20679	3.4
513.30994	2.1
697.42169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
57.12197	0.8
59.01268	36.4
69.03321	1.1
70.65567	0.8
71.01268	15.5
71.61956	1.2
72.99191	2.1
73.02843	9.6
75.00759	2.6
83.01279	4.0
85.02848	8.1
87.00742	2.1
89.02335	5.5
93.03364	3.9
95.01268	1.9
96.95921	1.1
99.00777	2.8
101.02354	11.3
108.02098	2.4
108.04451	1.6
109.02917	1.8
113.02360	6.1
119.03429	1.0
121.02876	9.8
122.02830	1.4
122.03665	19.5
123.04492	1.6
125.02383	2.1
131.03409	1.1
133.02873	2.5
134.03661	1.5
135.04469	2.0
136.01569	2.9
137.02367	2.0
143.03349	1.1
145.02890	1.4
147.04433	1.3
149.02388	28.0
149.04341	1.1
149.06003	1.0
150.03175	100.0
151.03630	4.3
158.27922	1.0
161.02351	1.4
161.04492	4.5
161.05775	0.9
163.03937	1.2
164.04742	3.8
165.05525	80.0
166.05888	3.3
177.05522	1.5
180.04262	6.0
191.02017	1.7
193.05064	1.3
194.86461	0.9
195.06613	38.9
196.06905	1.5
209.03070	1.5
267.07080	1.0
269.04794	1.2
269.07962	1.2
270.08878	0.9
281.08246	3.1
282.08902	1.2
283.09827	1.5
298.08749	1.5
299.09125	1.2
311.09274	2.7
313.10959	2.1
314.11627	1.6
315.12512	1.0
326.11514	5.5
327.12289	2.4
329.13977	2.5
341.13934	5.2
343.11771	1.2
355.11911	1.8
458.15765	2.3
470.15445	1.2
473.18369	6.8
474.17020	1.1
485.18460	6.1
486.17914	1.1
488.17010	1.4
489.19083	3.6
490.19113	1.4
491.19177	6.9
503.19418	9.4
533.20386	19.7
534.20361	2.4
545.20447	15.4
546.20679	1.8
563.21338	1.8
606.23309	1.0
621.23517	1.8
633.23499	7.0
634.24152	1.3
651.24652	19.6
652.24536	2.9
663.25067	1.1
669.25671	8.1
670.25897	1.7
681.25995	2.2
693.26129	2.1
699.26672	3.5
711.26678	16.9
712.26825	3.6
717.27386	2.9
759.28821	14.3
759.41351	1.6
760.29242	2.1
803.28381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.6
61.98722	0.6
67.01785	1.2
70.81058	0.5
71.01274	3.4
71.62219	0.5
72.99208	0.7
73.02835	1.4
75.00771	1.3
83.01269	0.5
85.02837	2.2
87.00781	0.9
89.02347	1.0
93.03383	0.6
95.01275	0.9
96.95938	0.8
101.02357	1.5
103.00296	0.6
107.04926	1.1
108.02081	0.7
109.02874	3.9
111.00834	0.5
113.02357	1.3
119.03398	0.6
121.02858	1.6
122.03706	0.6
123.00815	2.2
123.04427	1.0
125.02376	0.7
131.04947	0.5
134.03671	0.5
135.04420	1.1
136.01584	2.0
137.02382	23.4
138.03117	0.7
139.00331	1.1
139.03886	0.7
147.00777	0.5
149.02377	1.9
149.06024	1.8
150.03185	4.7
151.00305	12.4
151.03938	5.4
152.01054	2.6
152.04756	3.2
153.01895	1.0
155.63676	0.4
159.04478	0.5
161.02370	0.7
162.03130	0.9
163.03926	1.6
164.01151	2.9
164.04726	1.2
165.01886	100.0
165.05522	6.6
166.02669	35.0
166.04713	0.7
166.06203	0.6
167.03389	4.2
168.04210	0.6
173.02417	0.7
175.02461	0.9
175.03989	1.7
176.01132	0.6
177.01915	2.3
177.05547	1.7
178.02676	1.4
179.03467	22.5
179.07074	1.3
180.04243	61.1
181.05025	45.7
182.05347	2.1
184.03690	1.3
187.04008	2.6
188.04773	0.5
190.02681	0.9
190.06297	1.1
191.01976	0.5
191.03506	0.9
192.04164	1.1
193.04977	2.1
194.05804	4.2
195.03021	3.0
195.06606	83.0
196.06947	4.0
198.05429	0.7
198.76022	0.4
203.03526	0.9
205.05077	5.6
205.08659	0.6
206.05698	0.8
207.06589	1.6
209.08127	1.6
210.05316	13.3
211.05827	1.6
219.06621	1.0
220.07347	3.7
221.08167	0.9
223.06189	0.6
225.07692	61.6
226.08041	3.3
269.04657	0.7
275.49493	0.5
281.04272	0.6
297.03781	0.5
339.08759	0.6
341.10120	0.8
345.09848	0.8
357.09760	0.6
359.11392	1.9
371.11353	1.4
372.12311	2.1
385.12909	0.9
386.13727	1.5
387.10809	7.2
387.14661	5.6
388.11197	1.2
402.13287	5.0
403.14014	1.8
416.14694	3.6
417.15628	55.5
418.15970	8.0
533.16974	0.5
551.19556	0.6
565.16492	2.5
580.19379	1.0
595.21973	53.6
596.22357	8.8
601.22046	0.9
613.22986	1.4
625.22852	1.0
629.25861	0.7
643.24066	35.4
644.24329	6.7
805.29047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.1
61.98717	3.5
62.73563	1.3
67.16824	1.2
71.01257	4.9
71.04938	1.9
71.56220	2.6
73.02851	1.3
78.44931	1.2
80.02579	1.8
81.93359	1.3
83.04918	3.3
87.00761	1.9
89.02354	1.7
101.02335	3.5
113.02367	2.5
119.54494	1.3
161.04419	2.3
163.11140	2.0
165.12723	1.6
175.09726	1.2
191.10808	1.7
199.13315	1.2
209.11810	100.0
210.12059	3.1
211.13380	4.4
223.16945	2.6
227.12918	14.8
235.08200	3.7
235.17007	17.9
249.60268	1.5
253.09279	13.2
275.20184	21.4
276.20505	2.0
290.83340	1.4
293.21283	90.2
294.21564	6.5
332.44119	1.3
452.77927	1.3
529.30585	1.7
553.07605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.0
59.73683	0.5
61.98713	7.2
69.31705	6.1
71.01273	2.6
71.04898	1.5
71.79416	0.6
78.73727	0.6
80.02571	1.7
81.03349	0.9
83.04906	4.2
89.02338	1.6
95.04917	0.9
96.95900	1.7
98.95514	0.9
101.02342	2.1
104.14402	0.6
113.02344	1.1
119.94599	2.5
121.02864	1.3
121.94337	1.4
125.06042	0.7
135.08055	0.9
161.04494	0.8
163.11285	2.7
165.12766	2.0
165.20465	0.7
173.93190	0.5
191.10654	1.0
209.11812	100.0
210.12138	5.8
211.13278	0.6
223.17024	0.6
227.12848	11.3
228.13248	0.6
231.21204	0.9
235.08180	1.2
235.17035	5.8
253.09334	7.9
275.20157	8.0
276.20535	0.6
293.21283	30.5
294.21597	3.5
329.01379	0.5
353.35284	0.5
359.74890	0.6
373.28873	0.5
445.20782	1.7
481.67426	0.5
499.47253	0.6
700.94696	0.7
760.54510	0.7
831.64886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01590	0.7
60.97859	0.4
65.99881	0.4
71.01279	3.0
73.02856	0.5
83.01243	0.4
85.02856	0.5
89.02335	1.9
89.33270	0.4
97.02864	0.5
101.02334	1.9
113.02376	0.7
119.03360	0.7
125.02335	0.5
141.01625	58.3
142.01978	0.9
143.03406	0.5
153.01738	0.4
161.04590	0.5
166.66342	0.4
194.69131	0.4
229.65424	0.6
235.08371	0.5
255.23331	6.7
256.23642	1.0
277.21884	0.7
286.66446	0.4
337.23709	5.0
338.24237	0.5
397.13504	9.9
398.13681	0.6
415.14633	1.7
419.11847	2.4
437.12912	3.2
520.48956	0.5
594.74884	0.4
633.06757	0.4
653.37390	2.2
654.38776	0.6
661.56268	0.4
675.35693	4.4
676.36230	0.6
722.10486	0.5
757.79218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01601	0.5
66.79851	0.2
71.01263	2.1
71.62553	0.4
73.02818	0.4
83.01288	0.3
85.02843	0.5
89.02345	1.6
96.99205	0.5
97.02859	1.0
99.00787	0.3
101.02379	1.7
103.71387	0.3
113.02383	0.8
119.03426	0.4
125.02351	0.6
134.23547	0.2
141.01630	59.4
142.01953	1.0
143.03366	0.3
215.55457	0.2
229.67511	0.3
235.08246	0.6
243.04988	0.4
243.77153	0.2
255.23343	6.2
256.23737	0.4
305.08871	0.2
337.23691	4.1
397.13580	9.7
398.13651	0.5
415.14572	1.9
419.11670	1.8
437.12772	2.8
488.22980	0.3
653.37543	1.5
675.35669	3.6
676.35852	0.6
735.09229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
58.00484	1.8
59.01266	80.9
60.01606	0.6
67.01788	0.8
69.03373	0.8
71.01273	25.4
71.63076	1.2
72.01633	0.8
72.99203	4.9
73.02827	3.1
75.00766	13.0
83.01297	2.2
83.55323	0.6
85.02846	21.0
87.00778	6.0
89.02338	11.4
95.01279	5.1
97.02870	0.8
97.06487	0.6
99.00780	9.4
99.04420	7.3
101.02350	7.7
103.00284	2.5
111.00802	0.9
113.02355	23.9
115.00293	2.3
117.01855	2.2
117.05488	9.5
117.06262	1.0
119.03427	2.3
120.05726	0.6
127.03931	0.9
129.01868	2.2
131.03506	0.8
157.01358	1.1
165.12856	1.0
175.02486	2.9
189.12868	4.1
193.03522	1.8
205.07204	1.7
207.13895	4.2
209.11824	9.6
223.08189	0.7
231.04985	1.2
249.06195	14.0
249.08554	1.2
251.12956	1.3
267.07266	4.6
269.04575	1.8
269.14005	1.7
291.07294	1.7
298.63300	0.6
309.08420	5.9
349.11667	1.6
351.09485	1.3
367.12564	5.7
368.13251	0.7
409.13718	3.0
593.31848	9.3
594.31903	1.2
601.24854	1.5
619.26215	16.3
620.26642	1.6
655.13617	0.6
741.28491	1.4
750.66431	0.6
781.18683	0.6
781.30695	2.8
799.32623	100.0
800.32947	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	791.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63273	9.4
59.01265	18.1
61.98706	10.4
69.41610	52.6
69.42036	27.5
77.26019	8.6
83.34673	9.1
96.95913	91.4
98.20519	16.8
98.49974	10.7
116.85645	8.3
120.90636	9.6
200.51500	8.1
203.86052	8.4
209.11812	100.0
227.12999	13.7
253.09406	9.6
271.06085	8.8
277.21786	76.6
299.56674	11.7
510.11319	8.9
791.43555	28.4
792.44244	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	791.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
55.41639	0.3
57.03356	0.3
58.00474	0.8
59.01266	100.0
60.01599	0.9
69.03362	0.8
71.01271	22.9
72.01625	0.3
72.99197	0.7
73.02837	24.3
74.03156	0.4
75.00769	0.4
81.03346	0.4
83.01281	7.7
85.02843	3.2
86.85767	0.3
87.00794	1.0
89.02340	11.9
95.01300	0.8
97.02845	0.7
99.00796	0.6
99.04441	0.4
101.02350	27.2
102.02684	0.4
108.02075	0.7
113.02358	10.7
119.03428	4.8
122.03620	0.3
125.02367	1.8
127.69848	0.3
129.01852	0.3
131.03450	3.6
133.06477	0.4
143.03436	3.4
147.02901	0.5
147.04401	0.6
148.05238	1.1
149.04538	7.3
149.06018	67.8
150.03137	0.4
150.06364	2.5
152.01111	0.6
155.03423	1.0
161.04497	10.7
165.01869	0.4
165.05528	0.3
174.27426	0.3
179.05547	0.6
191.05641	0.3
201.11293	1.0
203.05620	1.6
221.06723	3.7
233.06648	0.3
261.13416	0.6
269.04669	0.5
277.13031	0.5
293.08835	3.3
303.14590	1.9
316.72464	0.3
319.13876	0.7
363.16541	0.4
443.09882	0.6
443.15668	9.9
444.15820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27660	1.1
59.01240	5.1
61.98705	3.3
70.85926	3.6
71.01251	4.0
89.02318	1.4
92.20235	1.3
96.09118	1.1
96.95931	1.9
101.02352	2.1
145.06499	1.6
146.03642	2.1
147.04472	18.7
148.05191	5.7
155.36113	1.2
159.04462	21.9
161.06004	7.1
172.05249	4.4
173.06047	39.1
174.03142	2.0
174.06772	3.2
175.04060	6.0
183.13837	3.0
185.06071	2.6
186.06828	2.3
187.03951	5.4
187.07613	10.3
189.05579	17.2
191.78740	1.4
201.05589	9.8
211.13382	35.0
212.13556	2.0
215.07155	4.0
216.07907	51.9
217.08250	4.6
252.62053	1.2
283.13513	1.5
285.14972	4.9
297.15097	15.1
300.13800	15.1
313.18073	1.8
315.15982	4.2
318.14789	4.3
323.16602	4.2
341.17645	100.0
342.17920	9.2
359.18686	22.3
360.18909	2.2
376.75449	1.5
516.43176	1.3
546.30389	1.3
577.27014	3.2
595.27759	40.0
596.28058	6.4
789.40869	91.6
790.41357	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	789.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
56.93758	0.2
57.03331	1.0
58.00479	0.4
59.01264	29.1
61.98719	0.3
67.01775	0.4
68.99715	0.3
69.03346	0.9
71.01270	12.5
71.55137	0.4
72.99192	1.6
73.02835	4.7
75.00771	0.8
83.01272	3.0
85.02843	6.4
85.99986	0.6
86.03170	0.3
87.00784	1.4
89.02336	3.2
93.03353	4.0
95.01283	1.7
95.04948	0.5
96.95929	0.8
97.02874	0.8
99.00780	1.4
99.04501	0.3
101.02345	7.6
105.03395	0.3
108.02081	0.7
109.02874	0.9
111.00822	0.3
112.01564	0.5
113.02362	6.1
119.03408	1.0
119.04953	0.3
121.02877	8.3
122.03654	15.1
123.00826	0.9
123.04509	1.3
124.01591	0.9
125.02369	0.9
129.01878	0.3
131.03442	0.5
132.02094	0.8
133.02875	2.1
134.03664	1.9
135.04507	1.2
136.01584	2.2
137.02347	1.4
139.04022	0.2
143.03459	0.8
145.02921	0.5
146.03763	0.5
147.04448	0.8
148.01601	0.4
149.02382	29.5
149.05914	2.0
150.03163	100.0
151.03491	4.1
152.01091	0.4
153.01942	0.3
158.03632	0.4
159.04573	0.3
160.01620	0.7
161.02399	0.7
161.04521	1.4
161.05873	0.6
162.03239	1.3
163.03941	1.0
164.04729	5.4
165.05519	75.3
166.05862	3.6
167.03467	0.4
175.03973	0.6
177.01840	0.3
177.05518	1.0
179.03467	0.7
179.05583	0.4
179.07031	0.6
180.04237	6.1
181.04976	0.4
190.06383	0.6
191.07047	0.4
193.05031	0.7
194.05801	0.5
195.06601	29.1
196.06950	1.4
205.08658	0.4
207.06564	0.3
208.07387	0.4
237.07608	0.4
251.07053	0.3
252.07729	0.3
253.05118	0.6
255.06633	0.3
270.05399	0.3
278.05890	0.3
279.06854	0.3
281.04739	0.3
282.05573	0.4
282.08997	0.3
283.09927	0.4
285.07562	0.4
295.06381	0.3
295.09683	0.7
296.06949	1.0
297.07715	1.1
297.11047	0.4
298.08475	0.8
299.09198	1.0
300.09949	0.3
307.05893	0.3
310.08441	0.5
311.09320	2.1
312.09937	0.8
313.10876	1.1
323.09247	0.4
325.10797	0.9
326.08087	0.4
326.11554	0.7
327.08801	0.6
327.12473	1.1
328.12973	0.3
329.10321	1.1
341.10266	1.5
341.13992	0.6
342.11020	0.6
343.12018	1.1
344.08966	0.4
344.12570	1.4
345.13391	0.4
356.12537	1.2
357.13550	1.2
358.14279	0.4
359.15067	2.8
360.15427	0.5
371.15137	3.6
373.12820	0.4
385.12796	0.7
427.15839	0.5
441.00845	0.3
448.15491	0.4
461.16190	1.0
473.14789	0.8
475.18381	0.6
485.14560	1.9
488.16888	2.2
489.17285	0.6
491.15817	0.9
500.16989	1.3
501.17154	0.3
503.20135	4.1
504.18478	0.8
506.17987	2.4
507.19879	1.0
515.19299	5.1
516.19592	0.7
518.18011	1.3
519.20209	1.6
521.20361	5.5
522.20282	0.9
533.20544	6.4
534.20557	0.9
537.21307	0.9
545.16583	0.8
563.21454	11.3
564.21564	1.6
569.19519	0.4
575.21381	11.5
576.21979	1.6
585.23743	1.4
593.22272	1.1
631.21436	0.3
633.23114	0.3
651.24884	1.6
663.24615	11.3
664.25165	2.0
669.25885	0.6
681.25635	21.9
682.25970	4.8
699.26654	5.2
700.27020	1.1
711.26764	1.2
712.26978	0.4
723.27185	0.9
724.27197	0.4
729.27789	4.1
730.27997	1.0
741.27826	10.8
742.28436	2.1
747.28583	2.9
748.29138	0.6
771.29266	1.2
789.29797	14.5
790.30133	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	789.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
58.00469	0.3
59.01266	16.8
60.01594	0.3
61.98738	0.2
64.81877	0.2
64.82432	0.2
69.03342	0.4
69.74957	0.9
69.75366	0.4
71.01274	7.7
72.99201	0.8
73.02836	4.1
75.00790	0.4
81.03339	0.4
83.01269	2.0
85.02843	2.7
86.00021	0.3
87.00792	1.0
89.02347	1.6
93.03357	4.0
95.01293	0.9
95.04943	0.4
96.95924	0.8
99.00780	0.9
101.02351	4.9
105.03400	0.4
108.02095	0.6
109.02892	0.4
111.00831	0.2
113.02354	3.3
119.03442	1.0
121.02882	5.8
122.03664	14.8
123.00797	0.5
123.04456	0.7
124.01566	0.7
125.02377	0.7
131.03458	0.4
132.02126	0.5
133.02879	1.8
134.03677	0.5
135.04459	0.8
136.01620	1.7
137.02397	0.7
139.03973	0.3
141.01854	0.2
143.03441	0.4
147.04433	0.4
149.02391	20.1
150.03171	100.0
151.03474	3.9
160.01610	0.4
161.02417	0.3
161.04497	1.0
161.05881	0.2
164.04759	3.7
165.05527	91.6
166.05861	3.8
167.03397	0.3
175.03949	0.5
180.04247	6.1
181.04793	0.5
190.02728	0.3
195.06613	46.6
196.06949	2.2
202.10387	0.3
221.06648	0.3
237.07651	0.3
267.07117	0.3
283.10056	0.3
285.08096	0.3
285.11371	0.3
293.08392	0.2
296.06970	0.8
297.07733	0.6
298.08484	0.2
299.09271	0.8
310.08514	0.3
311.09473	1.3
312.09808	0.4
313.10977	0.7
325.10773	0.7
326.11432	0.4
327.08762	0.3
327.12421	0.4
329.10275	0.8
341.10388	2.0
342.11011	0.4
343.11911	0.6
344.09152	0.5
344.12625	0.9
345.13086	0.3
355.11874	0.3
356.12738	1.5
357.13358	1.0
359.11331	0.3
359.15027	1.8
367.14081	0.4
371.11023	0.4
371.15109	3.2
372.15649	0.3
373.12888	0.5
385.13129	0.7
386.13669	0.3
387.14609	0.4
422.88846	0.2
427.15701	0.4
473.14569	0.9
485.14499	1.5
488.17105	2.2
489.16797	0.4
491.15649	0.3
500.16855	1.0
503.19858	5.9
504.19382	0.5
506.17996	2.5
515.19366	7.4
516.19586	0.9
518.17877	1.2
519.19427	1.1
521.20410	5.3
522.20734	0.7
533.20490	8.4
534.20715	0.9
537.20819	0.6
545.16412	0.5
551.21313	0.3
555.19476	0.3
563.21448	19.4
564.21832	2.6
575.21442	19.4
576.21863	2.8
593.22308	2.5
594.22461	0.4
607.31195	0.3
651.24518	0.6
663.24524	3.4
664.24689	0.6
681.25653	8.6
682.25592	1.1
693.26410	0.3
699.26660	2.4
700.26691	0.4
711.26080	0.6
723.26093	0.7
729.27740	2.6
730.28247	0.5
741.27820	4.6
742.28033	0.9
747.28912	1.7
771.28729	0.5
789.30176	7.4
790.30133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	8.7
59.05603	0.2
59.30083	0.2
61.45732	0.2
61.98720	4.9
68.82025	0.2
69.56802	1.9
71.01265	2.4
72.99200	0.3
73.02833	0.5
78.98470	0.4
79.95638	0.8
80.02560	1.0
80.38982	0.2
80.96413	4.7
81.03355	0.7
83.04916	3.8
84.02064	0.6
85.02853	0.8
87.00770	0.5
87.01599	0.2
89.02345	1.5
90.62728	0.2
94.97985	0.8
95.01248	0.3
95.04906	0.5
98.19901	0.4
101.02347	2.1
106.60112	0.2
106.97985	0.3
109.06485	0.2
113.02338	1.4
119.03413	0.4
123.68623	0.2
125.05984	0.3
125.09668	0.3
136.99086	0.3
148.99088	0.3
152.98547	0.3
161.04581	1.3
163.11255	2.9
164.98602	0.5
165.12744	1.6
179.05540	0.3
181.12320	0.5
191.10762	0.7
209.11819	100.0
210.12157	5.4
225.00787	1.5
226.11707	0.3
227.12906	9.9
228.13223	0.8
235.08266	1.5
253.09317	6.9
254.09760	0.5
277.21783	53.4
278.22131	5.0
308.11670	0.3
400.51886	0.2
445.20932	2.7
446.21414	0.4
463.21744	0.4
513.30487	0.7
723.43011	0.3
783.42267	5.4
784.42590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
61.98719	100.0
71.01281	2.2
71.62625	1.1
78.98485	1.0
79.95618	1.4
80.96410	10.1
94.97995	1.6
101.02351	0.8
108.08401	0.6
125.02431	0.7
134.97568	0.6
152.98567	1.1
164.98691	1.8
165.12799	2.4
183.13864	12.7
197.11894	0.9
203.02386	0.6
225.00790	2.0
253.09288	1.3
277.21768	14.4
278.22183	2.0
287.12442	0.7
344.71063	0.8
589.30249	0.7
723.43384	26.6
723.55945	1.3
724.43762	6.1
787.39484	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	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18156	0.0
59.01254	0.1
61.98719	100.0
62.98425	0.2
70.03395	0.2
71.01292	0.1
80.96427	0.1
83.04925	0.1
93.09332	0.1
131.41237	0.0
209.11812	0.9
210.12178	0.7
211.12325	0.2
212.12761	0.1
227.12941	0.1
253.09410	0.1
277.21844	0.4
278.22110	0.4
279.22577	0.2
280.22791	0.1
343.56610	0.0
541.32452	0.0
787.39783	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.98718	100.0
62.98428	0.1
62.99146	0.1
70.76268	0.1
71.01290	0.1
80.96420	0.1
101.02381	0.1
164.72612	0.1
186.92928	0.1
209.11803	0.8
210.12160	0.6
211.12433	0.3
227.12949	0.1
229.13261	0.1
277.21799	0.9
278.22156	0.8
279.22421	0.5
280.22726	0.1
787.39960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59340	0.4
57.03334	0.5
59.01256	1.5
64.15253	0.3
65.00209	0.5
69.37965	3.7
71.01266	1.0
73.16551	0.4
74.59484	0.3
77.03849	1.2
79.01788	0.5
85.02834	0.7
89.02341	0.4
91.01781	1.5
93.03358	4.7
95.51261	0.4
96.99205	3.8
101.02393	0.5
105.03369	0.5
108.02087	1.3
109.02863	0.7
109.82436	0.3
117.03375	4.9
119.04936	5.9
121.02857	1.4
123.04446	5.8
130.04205	0.5
131.04933	1.2
133.02867	1.3
134.03670	7.1
135.04405	1.4
137.02402	0.9
143.04964	5.8
145.02910	2.5
146.03664	2.6
147.04428	1.4
148.01581	0.6
148.05127	0.5
149.02374	1.1
149.06050	0.7
154.93883	0.4
158.03654	2.4
159.04463	4.2
161.02393	2.6
161.06049	1.1
163.03955	7.5
165.01900	0.5
171.04463	0.5
173.02232	0.5
173.06033	2.3
174.03244	0.7
175.03954	0.6
177.40927	0.4
178.02643	0.7
179.03398	0.4
187.03876	0.4
191.03470	1.3
193.05084	2.7
197.06102	0.9
203.03505	0.8
211.07787	0.6
215.07184	0.4
225.05435	0.4
226.06296	1.9
235.07616	0.4
239.07158	0.9
241.08844	2.3
250.06375	0.9
251.04558	0.5
251.07169	9.7
252.07918	4.4
253.08629	2.1
254.09515	1.6
263.06873	0.6
265.08655	0.8
267.07050	0.5
267.10400	0.9
268.03839	1.7
269.04544	1.2
279.06711	2.6
280.04361	0.5
280.07455	10.0
281.04593	1.6
281.07562	0.9
282.05219	0.7
283.06186	31.1
284.06393	2.0
293.04590	1.1
295.06445	0.7
295.09723	8.3
296.10126	0.5
309.04117	0.5
311.05682	49.9
312.06039	4.8
313.10846	0.5
323.05685	2.5
324.06360	1.7
339.08847	3.2
339.78036	0.4
341.06799	4.2
357.09860	100.0
358.10175	9.7
431.09909	66.9
432.10272	7.6
448.00125	0.4
789.23071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.1
55.54364	0.1
57.03325	0.2
58.00491	0.2
59.01269	3.0
61.98716	0.4
69.03316	0.1
71.01270	2.1
71.16162	0.3
72.99206	0.3
73.02842	0.3
80.02567	1.0
81.03357	1.0
83.01290	0.4
83.04919	4.1
84.02070	0.5
85.02831	0.4
87.00797	0.2
89.02341	1.7
93.03352	0.2
95.01295	0.1
95.04925	0.6
97.02861	0.1
97.06518	0.2
99.00805	0.2
101.02347	2.1
109.06496	0.2
111.00781	0.1
113.02399	0.9
119.03400	0.6
125.02397	0.1
125.06004	0.4
131.03395	0.1
135.08080	0.5
143.03444	0.2
145.04990	0.1
147.11751	0.1
151.43716	0.1
159.02789	0.1
161.04494	0.9
163.11234	2.7
164.11566	0.1
165.12827	1.8
166.13188	0.2
179.05582	0.7
181.12276	0.4
191.10765	0.9
209.11826	100.0
210.12154	5.6
220.87241	0.1
227.12897	10.1
228.13263	0.6
233.22960	0.1
235.08261	1.2
251.12970	0.1
253.09325	6.7
254.09599	0.3
275.20383	0.1
277.21790	46.2
278.22125	4.7
445.20865	2.3
446.21185	0.4
463.21732	0.3
513.30957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33384	0.3
59.01263	3.9
59.89605	0.3
65.59270	0.3
67.19344	0.3
71.01274	2.8
73.02845	0.9
80.02554	0.7
80.96400	0.8
81.03331	0.6
83.01264	0.7
83.04913	2.7
84.02055	0.3
85.02845	0.9
87.00768	0.6
89.02333	2.2
95.04945	0.4
97.02911	0.4
101.02348	2.9
113.02375	1.2
119.03430	0.7
122.62688	0.4
145.04988	0.8
161.04504	1.5
163.11276	2.1
163.12459	0.3
165.12781	1.2
166.89969	0.4
177.78151	0.4
179.05501	0.3
191.10678	0.9
209.11819	76.1
210.12154	4.7
227.12888	10.5
228.13148	0.8
233.22836	0.4
235.08229	6.3
253.09323	8.3
275.66705	0.3
277.21780	100.0
278.22153	9.0
320.55170	0.4
332.06882	0.3
355.77930	0.4
445.20911	0.9
457.85541	0.4
513.30768	1.2
783.42102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
59.01263	11.0
61.98722	0.9
63.42615	0.3
70.08345	0.8
70.08755	0.5
71.01272	2.9
73.02833	0.8
78.93439	0.2
80.02555	0.6
80.96406	1.6
81.03344	0.7
83.01248	0.4
83.04918	2.7
84.02087	0.4
85.02840	0.9
87.00767	1.0
89.02357	1.9
94.97969	0.3
95.04909	0.6
99.00775	0.3
101.02339	2.8
113.02354	1.3
116.92738	0.3
119.03419	0.4
125.06036	0.4
130.89841	0.2
133.05003	0.3
135.08076	0.4
143.03377	0.4
145.04984	0.4
161.04523	1.5
163.11218	1.7
164.98500	0.3
165.12820	1.2
179.05435	0.2
183.13799	0.2
191.10764	0.6
199.13326	0.6
209.11815	71.9
210.12155	4.6
225.00620	0.4
227.12889	10.7
228.13225	0.6
235.08243	5.8
236.08754	0.4
253.09322	9.0
254.09587	0.4
259.20557	0.4
277.21774	100.0
278.22119	9.6
301.16684	0.3
389.34125	0.2
408.18320	0.3
427.19727	0.4
445.20959	1.4
463.22119	0.5
509.99234	0.2
513.30750	1.2
513.37146	0.3
598.91541	0.3
649.10706	0.2
665.46436	0.3
783.42169	2.2
784.42499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.03340	2.2
58.00497	0.7
59.01264	97.7
60.01591	1.2
61.98713	0.9
69.03360	1.3
69.65939	1.2
69.66365	2.1
69.76299	0.4
71.01270	18.6
72.01598	0.5
72.99200	1.9
73.02839	5.5
73.82491	0.5
74.36716	0.5
75.00773	2.1
76.00533	0.4
78.22644	0.4
83.01284	2.8
85.02843	9.0
87.00777	1.7
89.02339	9.0
93.03349	0.6
95.01273	2.7
96.95922	2.2
97.02828	0.5
99.00790	1.9
99.04463	0.5
101.02346	12.0
102.02688	0.5
109.02863	1.0
111.00827	0.7
111.08105	0.6
113.02351	10.1
115.00330	0.5
117.05473	0.8
119.03412	3.6
119.04871	1.0
121.02856	1.1
122.03659	1.3
129.01826	0.5
131.03409	1.0
133.02898	0.7
135.04462	0.5
137.02394	1.6
143.03448	1.1
147.04424	0.6
149.02373	2.2
149.04401	0.8
149.06049	1.1
150.03166	5.4
151.03926	1.0
159.02879	0.7
161.02455	0.5
161.04507	3.4
163.03917	1.1
165.01863	6.3
165.05476	5.4
175.00247	0.6
175.03922	0.7
177.01857	0.5
179.03427	0.8
179.05560	1.4
179.07100	1.1
180.04251	2.8
187.45471	0.6
190.02631	1.0
193.05017	0.8
195.06615	5.7
205.05109	1.1
210.05417	0.6
225.07701	2.1
238.57076	0.4
249.06119	1.0
267.07117	1.0
295.22827	2.2
310.08215	0.5
313.11060	0.7
313.24026	0.8
339.55661	0.6
361.16437	2.4
367.12390	0.7
373.12967	1.3
385.12622	0.6
427.14984	0.6
427.61218	0.5
439.27188	0.9
457.28168	2.8
458.28644	0.7
459.16794	2.5
475.29333	1.1
477.17789	3.7
478.18176	0.6
509.22025	0.7
517.30280	3.8
531.48639	0.5
535.31378	8.7
536.31616	1.4
539.22949	1.6
559.31635	2.2
577.32397	100.0
578.32703	14.4
687.27747	0.9
717.29346	0.6
735.29523	0.9
739.37177	1.8
765.30786	0.6
783.33783	6.0
784.30890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03339	2.8
58.00494	0.6
59.01266	100.0
60.01609	1.0
61.72357	0.5
61.98729	1.1
64.84260	0.4
68.99703	0.5
69.03351	0.9
71.01270	23.9
71.04930	0.5
71.62170	0.9
72.99202	2.6
73.02840	5.9
75.00765	1.6
83.01280	5.8
85.02847	11.2
87.00775	2.2
89.02345	9.5
93.03380	1.2
95.01297	3.2
95.04940	0.6
96.95888	3.2
99.00765	3.3
101.02343	17.0
109.02841	0.9
111.00795	1.6
113.02351	10.7
115.07581	1.4
119.03439	2.4
121.02875	1.8
122.03651	2.1
123.00781	0.6
123.04406	0.7
123.08067	1.3
125.02374	1.8
129.01836	1.2
131.03413	0.7
135.04466	1.0
137.02353	1.0
137.40565	0.5
137.65358	0.5
143.03392	1.5
147.04460	0.9
149.02353	3.1
149.04448	0.8
150.03168	6.7
151.03795	0.8
152.08383	0.7
155.10696	0.7
156.88162	0.5
159.02988	1.1
161.04515	3.1
164.04718	0.7
165.01862	3.1
165.05513	9.0
167.03419	0.6
171.13879	0.6
177.01834	0.6
179.03386	0.6
179.05676	0.8
179.07094	1.5
180.04256	3.1
181.04993	1.1
193.05156	0.7
195.06595	7.9
196.06966	0.8
202.00737	0.5
205.05197	0.7
205.07135	1.7
225.07654	0.8
240.65392	0.6
268.03549	0.5
277.21796	3.0
283.06161	2.2
295.22791	3.7
296.23267	0.8
313.23853	1.1
315.18381	0.8
320.38165	0.5
343.11829	1.1
346.14139	0.8
361.16663	7.8
362.17191	0.6
373.13065	3.7
421.14917	1.2
421.26038	0.9
439.27148	5.1
457.28229	8.2
458.28561	1.1
475.29178	2.3
499.29538	2.5
517.30396	3.4
535.31439	2.2
541.30231	0.5
559.31317	2.0
577.32416	83.1
578.23932	1.0
578.32739	15.7
587.25183	1.1
637.35101	1.1
735.30231	0.7
739.37744	41.6
740.38025	8.9
783.34174	0.7
784.29755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.4
61.98698	3.2
69.03352	1.0
70.04929	0.6
71.01272	13.6
71.55996	1.2
72.99194	1.0
73.02815	2.7
83.01270	1.8
85.02862	4.0
87.00797	1.3
89.02335	7.4
93.03387	0.8
94.37704	0.7
96.95925	3.4
97.02875	1.7
99.00769	1.0
101.02342	2.3
106.75966	0.7
108.02070	2.9
108.17290	0.7
113.02346	3.8
116.92757	1.1
119.03428	0.8
121.02872	14.6
122.03661	0.8
123.04457	3.5
123.30215	0.8
125.02361	6.4
131.03384	1.9
132.99930	0.6
133.06514	10.1
135.04445	1.7
145.02887	1.5
147.04437	2.4
149.04469	2.4
149.05937	1.3
160.05264	0.9
167.03465	0.8
175.07484	0.8
177.05556	1.4
181.95576	0.7
191.05673	0.7
191.82388	0.7
194.05779	1.2
196.55724	0.7
197.06027	0.8
200.04619	0.9
211.07501	0.9
224.04945	0.7
225.05592	1.1
233.06477	0.8
237.05551	3.3
237.07593	1.6
239.07133	3.1
240.04271	1.8
241.05075	2.0
241.08733	1.6
251.07133	3.7
252.07851	1.0
253.05209	3.2
253.08704	2.4
254.05820	1.4
255.06694	5.4
256.07410	1.0
260.10864	0.8
263.07153	1.5
264.07861	0.9
265.08804	1.2
266.09528	1.6
267.06647	9.6
267.09909	1.1
268.07455	7.0
269.08228	28.3
270.08698	2.5
271.09647	1.3
280.07492	3.1
281.08279	6.9
282.08820	1.1
283.09802	24.2
284.10437	7.9
293.08804	5.0
295.06409	1.5
295.09821	7.1
296.10529	2.6
298.08484	1.1
299.09543	0.9
299.12909	4.4
307.06085	2.6
309.11227	0.8
310.08478	3.5
311.09286	16.2
312.09784	1.6
316.09348	0.9
322.08459	3.2
323.09274	4.8
325.07309	1.3
325.10800	10.8
327.08688	0.8
328.09576	7.5
337.10855	5.5
340.09595	16.2
341.10205	6.8
343.11911	100.0
344.12271	8.8
355.11920	85.4
356.12296	8.0
373.12982	2.3
385.12891	3.0
397.13171	4.5
414.68961	0.7
415.13589	0.8
427.14169	1.3
441.23935	0.8
517.17291	2.3
529.16986	1.5
585.88239	0.8
619.20258	8.8
620.20319	1.9
631.20618	3.2
753.27740	26.6
754.28595	6.5
758.10645	0.8
765.27759	3.7
783.46344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03335	3.1
57.31127	0.5
58.00465	1.3
58.90007	0.5
59.01265	55.4
60.01588	0.7
67.01788	0.7
69.03351	0.6
69.22202	0.5
71.01273	27.7
71.55090	1.0
72.01593	0.8
72.99189	7.6
73.02815	2.4
75.00762	13.7
81.03329	0.7
83.01263	2.1
85.02844	24.2
85.03368	1.2
86.03170	0.7
87.00768	6.2
87.28771	0.5
89.02335	10.7
93.03339	0.7
95.01276	4.9
95.04939	0.9
96.95905	1.7
99.00787	11.0
99.04402	2.5
101.02339	5.9
103.00256	2.5
107.04932	0.8
109.02851	1.0
111.00812	0.8
111.04434	0.6
112.01576	0.8
113.02358	28.0
115.00296	1.7
115.03919	0.5
117.01849	2.4
117.04733	0.9
117.05489	9.0
118.20049	0.6
119.03387	2.6
119.04920	0.7
129.01849	1.6
135.04469	0.7
137.02336	1.5
139.03963	0.9
149.02388	0.8
150.03133	1.9
151.03976	1.0
157.01309	0.9
160.03958	0.7
161.13292	5.0
162.13651	0.6
165.01826	3.4
165.05487	2.3
175.02435	2.8
179.07004	0.7
180.04221	2.0
181.04823	0.8
187.11249	4.0
188.05052	0.5
193.03471	1.3
195.06549	2.7
205.05302	0.8
205.07037	2.6
205.12375	5.8
210.05298	0.8
211.05890	0.5
223.08257	1.2
225.07684	1.6
231.05130	1.9
249.06180	14.4
249.11342	1.6
267.07275	12.4
309.08337	7.2
349.11542	2.5
350.12000	0.6
367.12500	13.7
368.12872	1.1
499.18170	0.8
541.19208	0.9
555.24597	4.5
566.21509	1.5
567.22137	1.7
599.23608	16.3
600.24182	2.8
617.24811	1.9
617.61896	0.7
653.01337	0.6
721.26227	0.9
731.28333	0.7
761.29193	1.5
779.29968	100.0
780.30341	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	781.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78679	0.7
59.01262	5.7
64.59626	0.6
68.95129	0.6
71.01269	2.3
71.55501	1.2
73.02797	0.7
75.00770	1.0
85.02845	2.2
89.02335	1.7
93.03365	3.9
95.01318	0.8
95.49841	0.6
96.95920	2.1
101.02352	1.4
107.53595	0.8
108.02077	1.1
109.02866	1.3
113.02332	1.5
121.02859	7.5
122.03659	13.4
123.04387	1.3
124.01553	0.7
125.02390	1.4
128.40732	0.7
132.02098	1.4
133.02869	2.1
134.03668	1.1
135.04472	0.9
136.01581	1.9
137.02364	2.9
147.04465	1.6
148.04904	0.7
149.02380	32.8
150.03163	92.2
151.03815	4.1
153.05460	0.7
157.08458	0.7
160.01617	4.3
163.03998	1.0
164.04733	9.7
165.01907	4.0
165.05521	91.0
166.05922	4.3
175.03929	4.0
179.03362	1.3
179.07095	1.2
180.04250	8.1
181.04971	1.2
190.06245	1.2
191.07080	0.9
192.99431	0.7
193.04990	1.0
195.06601	69.3
196.06953	2.4
202.68680	0.7
209.11795	1.1
225.07686	2.8
227.07301	0.9
238.06425	1.0
239.07104	1.3
242.09520	2.9
246.09123	0.9
249.06117	0.8
253.08728	1.5
254.05742	1.1
255.06712	0.7
257.08255	0.9
257.11841	3.0
258.08997	0.8
266.05826	0.9
267.06729	2.3
268.07422	1.6
269.08286	4.4
270.09100	9.3
271.09708	1.4
281.08215	1.1
282.08914	1.2
283.06229	1.1
283.09692	1.7
284.06912	2.1
285.07712	2.3
285.11383	8.8
286.08490	2.5
295.09705	0.9
296.06937	1.3
297.07761	2.6
298.08557	6.8
299.09299	10.6
301.10837	3.1
309.08026	1.2
310.08640	2.8
311.09262	5.0
312.09863	1.3
313.07224	3.2
313.10898	8.9
314.08023	10.7
314.11472	2.0
315.08246	0.8
323.09280	1.4
324.10037	2.1
325.10809	4.8
326.07925	3.2
326.11520	2.6
327.08563	0.8
327.12354	2.1
328.09613	7.1
328.13092	1.8
329.10403	27.9
329.13983	3.8
330.10791	3.4
330.14410	0.8
339.12311	0.7
340.13193	1.7
341.06219	1.4
341.10388	28.9
341.13989	2.6
342.10770	3.3
343.11917	43.3
344.12668	44.4
345.13321	9.0
356.12668	14.5
357.13327	4.0
358.14249	5.6
359.15067	100.0
360.15451	10.0
371.15051	63.0
372.15424	6.9
373.12933	2.9
389.16327	1.6
391.13947	6.2
507.20288	2.6
537.21417	21.4
538.21887	3.4
585.23462	11.2
586.23822	2.0
703.27332	3.1
704.28125	1.3
733.28888	15.2
734.28857	3.3
781.30133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03335	3.1
57.31127	0.5
58.00465	1.3
58.90007	0.5
59.01265	55.4
60.01588	0.7
67.01788	0.7
69.03351	0.6
69.22202	0.5
71.01273	27.7
71.55090	1.0
72.01593	0.8
72.99189	7.6
73.02815	2.4
75.00762	13.7
81.03329	0.7
83.01263	2.1
85.02844	24.2
85.03368	1.2
86.03170	0.7
87.00768	6.2
87.28771	0.5
89.02335	10.7
93.03339	0.7
95.01276	4.9
95.04939	0.9
96.95905	1.7
99.00787	11.0
99.04402	2.5
101.02339	5.9
103.00256	2.5
107.04932	0.8
109.02851	1.0
111.00812	0.8
111.04434	0.6
112.01576	0.8
113.02358	28.0
115.00296	1.7
115.03919	0.5
117.01849	2.4
117.04733	0.9
117.05489	9.0
118.20049	0.6
119.03387	2.6
119.04920	0.7
129.01849	1.6
135.04469	0.7
137.02336	1.5
139.03963	0.9
149.02388	0.8
150.03133	1.9
151.03976	1.0
157.01309	0.9
160.03958	0.7
161.13292	5.0
162.13651	0.6
165.01826	3.4
165.05487	2.3
175.02435	2.8
179.07004	0.7
180.04221	2.0
181.04823	0.8
187.11249	4.0
188.05052	0.5
193.03471	1.3
195.06549	2.7
205.05302	0.8
205.07037	2.6
205.12375	5.8
210.05298	0.8
211.05890	0.5
223.08257	1.2
225.07684	1.6
231.05130	1.9
249.06180	14.4
249.11342	1.6
267.07275	12.4
309.08337	7.2
349.11542	2.5
350.12000	0.6
367.12500	13.7
368.12872	1.1
499.18170	0.8
541.19208	0.9
555.24597	4.5
566.21509	1.5
567.22137	1.7
599.23608	16.3
600.24182	2.8
617.24811	1.9
617.61896	0.7
653.01337	0.6
721.26227	0.9
731.28333	0.7
761.29193	1.5
779.29968	100.0
780.30341	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	775.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
57.03333	0.6
58.00484	0.3
59.01268	23.1
60.01591	0.2
60.99154	0.2
62.66967	0.2
65.85778	0.2
66.88512	0.2
71.01272	6.4
71.62444	0.2
71.62842	0.2
72.99201	0.5
73.02847	1.3
83.01271	0.7
85.02840	2.6
86.79471	0.2
87.00726	0.4
89.02341	3.4
90.76952	0.2
95.01260	0.5
99.00773	0.7
101.02345	5.1
108.92503	0.2
113.02367	2.8
119.03417	1.9
128.36882	0.2
129.14172	0.2
131.03433	0.2
140.07100	0.2
143.03511	0.2
147.11684	0.4
149.09641	0.2
161.04533	0.6
165.05525	0.2
179.05565	0.4
187.02481	0.2
191.01883	0.3
205.44994	0.2
209.03012	0.8
209.11818	2.5
227.12901	0.8
327.09961	0.3
329.16153	0.4
345.15909	0.3
349.18683	0.2
371.17215	0.4
373.62296	0.2
389.18259	100.0
390.18600	9.6
390.23785	0.4
398.81396	0.2
549.61487	0.2
560.56879	0.2
775.22131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92422	0.3
61.98717	0.7
62.36539	0.3
68.07031	0.3
69.21941	0.3
70.75559	1.0
71.01264	0.5
77.25463	0.3
78.95794	1.8
79.95629	2.7
96.92112	0.8
96.95910	100.0
107.41116	0.3
135.04469	0.4
146.03694	0.9
147.04459	4.5
148.05214	2.7
158.03726	0.3
159.04453	7.2
160.05153	0.6
161.06012	3.0
172.05266	2.0
173.06035	10.9
174.03177	1.1
174.06667	1.6
175.03986	2.2
185.06009	1.1
186.06752	0.6
187.03970	2.2
187.07632	2.8
188.08322	0.7
189.05536	7.8
190.06018	0.4
197.06094	0.4
199.07544	0.5
200.08401	0.7
201.05508	3.4
201.09196	0.4
209.11826	3.5
211.13400	3.5
215.07103	1.7
216.07904	11.9
217.08298	0.8
227.12923	0.7
229.08510	0.4
255.14157	0.4
257.15308	0.4
269.15805	0.5
271.17133	0.3
279.23441	0.4
283.13425	0.9
285.14944	0.8
293.21326	1.3
297.14990	5.4
298.15482	0.4
300.13766	5.0
301.14233	1.5
311.16498	0.3
313.18008	0.6
315.16138	1.7
318.14789	1.9
323.16467	1.8
341.17630	18.6
342.17981	2.0
359.18692	10.8
360.19006	1.2
397.13748	0.4
409.19165	0.5
415.21381	0.8
416.20496	0.3
433.22385	7.2
434.22577	1.0
435.08157	0.5
445.21216	0.3
453.09302	0.9
570.04358	0.3
627.35419	0.4
715.32404	1.3
716.35107	0.9
719.24707	0.3
757.39917	2.4
758.39850	0.8
775.40747	25.0
776.41193	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	775.305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71728	0.1
55.01767	0.4
57.03338	0.3
58.00482	0.9
59.01265	100.0
60.01600	1.1
63.44403	0.1
65.62207	0.1
66.44936	0.1
69.03349	1.1
71.01270	28.9
71.42101	0.2
72.01607	0.3
72.02007	0.1
72.99191	1.2
73.02835	28.9
74.03179	0.3
75.00764	0.5
81.03352	0.4
83.01276	8.3
84.01616	0.2
84.17126	0.1
85.02845	3.6
86.03207	0.1
87.00771	0.7
89.02337	11.5
90.02680	0.1
93.54094	0.1
95.01295	1.3
97.02866	1.0
99.00787	0.5
99.04435	0.2
101.02346	26.0
102.02677	0.5
111.00767	0.1
113.02354	11.5
114.02718	0.3
117.01866	0.2
119.03422	3.7
125.02373	2.6
129.01801	0.1
131.03426	3.6
133.06526	1.3
143.02374	0.2
143.03433	3.0
147.02876	0.2
149.04497	6.2
150.04797	0.2
151.03830	0.1
155.03442	0.8
161.04503	7.8
162.04866	0.2
179.05577	0.9
191.05531	0.3
192.02014	0.1
203.05597	1.5
221.04552	0.2
221.06664	3.1
233.06422	0.1
261.13452	0.5
293.08844	3.0
294.09100	0.1
303.14560	1.2
304.14679	0.1
305.77551	0.1
347.24017	0.1
399.91174	0.1
496.79050	0.1
501.77121	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53944	0.3
59.01262	3.4
70.87890	0.7
70.88211	0.3
71.01266	1.2
85.02836	0.7
89.02322	0.7
93.03359	0.5
96.55074	0.3
96.95930	0.6
101.02335	0.7
109.02860	0.5
113.02335	0.4
119.03426	0.4
121.02887	2.0
135.04422	1.6
136.41223	0.3
137.02379	0.7
138.05565	0.3
140.07106	0.5
147.04619	0.3
149.02379	21.2
150.02664	0.7
151.03925	0.7
152.01091	4.3
153.06737	0.3
163.03951	3.4
164.04739	20.1
165.01845	0.6
165.05125	0.9
167.03421	0.8
169.05003	2.1
179.05505	0.5
179.07095	9.5
183.70563	0.3
191.01863	0.4
193.01385	10.7
194.01793	0.4
207.10275	0.4
208.03755	34.5
209.04276	2.0
223.06114	100.0
224.06471	5.3
285.11362	0.4
385.11469	30.9
386.11801	2.2
387.11676	0.4
387.16666	7.9
388.16931	0.8
562.04694	0.3
657.20691	0.3
729.80975	0.3
775.29285	0.3
779.06421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.2
61.09478	0.1
61.98715	0.4
70.19865	0.4
70.20277	0.3
71.01280	0.4
78.95798	1.7
79.95628	2.3
87.00746	0.2
94.92410	0.3
96.92126	0.6
96.95914	100.0
97.30367	0.1
97.95876	0.3
128.94341	0.1
161.06079	0.1
209.11806	1.6
227.12900	0.4
253.09253	0.2
279.23361	0.4
293.21359	0.5
319.09116	0.1
321.36783	0.1
397.13617	0.3
409.19217	0.4
435.08160	0.7
436.08640	0.2
453.09467	1.1
487.59070	0.2
715.32379	1.3
775.40588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68336	0.2
70.68701	0.1
71.01273	0.2
78.95795	2.0
79.95628	2.6
90.97060	0.1
94.97985	0.2
95.97505	0.1
96.00808	0.1
96.95914	100.0
96.96789	2.5
97.02841	0.1
97.95886	0.4
98.02397	0.3
98.20587	0.1
98.90622	0.1
118.96502	0.1
144.98198	0.1
162.67455	0.1
197.41240	0.1
203.62311	0.1
210.99040	0.1
230.28052	0.1
259.01468	0.1
277.21805	0.1
320.97894	0.1
361.04587	0.1
384.99429	0.1
385.04575	0.1
397.13757	0.2
407.17767	0.2
415.15186	0.1
435.08163	0.4
453.09363	0.6
467.61188	0.1
593.26843	0.1
713.30573	0.9
714.31421	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08475	0.1
56.11690	0.1
61.98724	0.1
71.01260	0.2
71.62305	0.1
78.95792	1.5
79.95628	2.6
80.43389	0.1
89.02364	0.1
90.97029	0.1
94.97990	0.2
95.97489	0.2
96.95914	100.0
96.96788	2.5
97.02843	0.1
97.95829	0.4
98.02387	0.2
98.90599	0.1
116.98639	0.1
118.96594	0.2
122.42279	0.1
259.01376	0.1
277.21954	0.2
282.80478	0.1
339.93536	0.1
361.04675	0.2
397.13443	0.2
407.17499	0.2
435.08200	0.2
453.09357	0.7
528.35004	0.1
713.30725	0.8
714.31763	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.7
58.00484	4.7
59.01265	100.0
60.01594	1.0
69.49902	6.3
71.01270	70.5
72.99197	7.5
73.02831	2.5
75.00755	1.6
81.22425	0.7
83.01276	1.9
85.02843	13.2
87.00758	5.0
89.02338	77.0
93.03376	0.8
95.01263	5.6
96.95889	1.1
97.02875	0.9
99.00804	1.1
101.02347	27.0
102.02695	1.2
108.02071	0.9
109.02866	1.0
113.02357	27.6
114.02714	1.0
115.07543	1.6
119.03418	27.7
122.03645	0.9
123.00819	0.8
123.04482	1.6
125.02332	1.3
125.42515	0.8
129.05374	1.0
131.03419	3.3
133.78824	0.8
134.03610	2.1
135.04428	1.1
137.02313	2.3
141.30043	0.7
143.03456	6.7
143.07126	1.0
146.03639	2.2
147.04436	0.8
149.02428	1.8
149.04489	3.7
149.06044	1.0
150.03137	3.1
151.00220	0.8
151.03944	1.6
153.01926	1.7
153.05579	1.0
161.04501	6.2
161.05917	1.4
162.03194	1.6
162.04924	0.7
164.04663	2.1
165.01875	1.9
165.05496	2.2
166.02646	2.0
177.05530	1.8
179.05606	20.5
179.07086	3.4
180.04250	1.0
181.05020	3.2
191.03484	1.2
192.04184	1.3
193.04965	2.2
193.77768	0.7
195.06528	2.0
205.05162	1.2
205.07140	3.6
207.06555	2.4
223.13420	1.2
284.10416	1.4
292.32047	0.9
295.06396	0.9
416.14841	4.7
417.15506	2.6
434.28918	0.8
565.20941	7.7
745.86493	1.0
775.21533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.2
57.03345	0.4
59.01268	5.5
60.01617	0.2
61.98706	0.2
63.02264	0.9
65.00229	0.4
69.03360	0.2
70.77962	0.2
71.01271	3.5
71.59222	0.2
72.99226	0.5
73.02853	0.7
75.00761	0.4
77.83353	0.2
83.01311	0.6
85.02853	2.0
87.00785	0.5
89.02344	1.4
93.03394	0.3
95.01347	0.5
96.95938	0.7
99.00805	0.4
101.02338	1.6
107.01292	1.1
108.02116	0.2
109.02899	0.4
111.00769	0.3
113.02357	1.8
113.84224	0.2
117.03366	1.6
119.03446	0.5
121.02872	0.2
123.04486	0.2
125.02392	0.4
129.01846	0.3
134.03682	1.5
136.01578	0.4
137.02405	0.3
148.01591	0.2
149.02412	0.7
149.06001	0.7
150.03204	0.5
151.00352	0.6
151.03940	0.3
159.04510	0.7
161.02414	0.7
163.03868	0.2
165.05589	0.3
169.06544	0.2
171.04535	0.3
176.01212	0.2
178.02716	0.2
181.06493	0.2
183.04509	0.5
191.01985	0.3
193.05035	0.9
195.06642	0.2
196.05269	0.3
197.06013	0.2
213.05623	0.3
224.04744	0.3
225.05508	1.1
227.03503	0.4
239.03596	0.6
240.04320	0.8
241.05186	0.2
265.05075	0.2
267.03140	0.3
268.01587	0.3
268.03827	17.9
269.04602	100.0
270.04953	8.0
281.04623	3.1
282.05200	0.5
283.06122	0.5
293.04684	0.3
297.04388	0.2
311.05743	0.6
361.29703	0.3
413.08789	0.9
431.09860	0.3
462.09656	0.4
463.10315	0.7
505.34003	0.2
523.35400	0.4
559.14587	0.3
577.15741	51.9
578.16113	7.7
578.23450	0.1
619.16956	0.7
666.38232	0.5
667.39172	3.3
668.39563	0.3
685.40204	1.8
727.42334	1.6
771.21399	7.4
771.35614	0.4
772.21545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01001	0.7
59.01265	13.4
66.20335	0.6
69.59174	2.9
69.59606	2.1
71.01267	2.4
72.99207	0.8
85.02840	2.7
89.02341	0.7
93.03336	1.6
101.02361	0.9
108.02105	3.0
109.02872	1.6
112.44234	0.7
114.41220	0.5
117.03377	14.2
118.03696	0.6
123.04395	1.3
128.09105	0.6
131.01320	0.7
134.03668	8.9
137.02266	0.6
149.06029	7.7
154.60582	0.8
157.02708	0.6
161.02367	1.4
175.00287	3.8
175.03874	0.7
187.03882	0.9
195.06639	0.7
199.03902	1.1
201.01918	2.0
219.02931	0.9
240.04114	0.8
243.03020	1.3
249.05681	0.7
251.03430	1.9
253.05130	1.0
265.04916	1.1
267.03027	5.0
267.05688	0.6
267.06808	0.5
268.03766	2.9
269.04538	2.4
271.05975	0.7
281.04593	2.6
282.05380	1.5
283.06192	6.4
292.03851	0.9
293.04633	38.7
294.04941	2.7
295.02890	1.3
295.06100	5.9
296.06735	0.8
305.04587	0.9
305.14856	0.7
307.06165	9.2
308.03806	0.7
308.06821	4.8
309.04242	1.2
309.07748	4.2
310.04962	1.3
310.08179	1.0
311.05670	2.9
313.07196	1.3
319.02676	1.2
319.06183	13.5
320.06580	1.9
321.07718	3.4
323.05649	2.2
325.07236	10.1
326.07666	0.8
331.06546	0.6
335.05612	1.8
336.06061	1.0
337.07220	6.8
338.07620	1.1
340.05826	1.6
341.06680	1.3
349.07248	5.9
350.07596	0.7
353.06693	0.9
355.08682	0.7
361.07269	1.1
363.05313	1.3
367.08298	10.9
368.08698	1.4
379.08286	2.2
384.06055	1.0
385.07211	0.7
393.06335	3.1
413.06799	9.9
414.07108	0.9
417.09793	1.2
419.11472	0.9
427.08276	5.0
428.09091	3.6
443.11609	7.5
443.21301	0.7
444.11661	1.1
457.10068	0.9
459.10892	0.8
461.12585	1.3
463.06461	1.1
464.11322	1.1
473.12726	1.5
476.41565	0.7
483.12839	2.7
487.10483	13.2
488.10880	1.5
517.11749	1.1
577.15936	1.1
603.17267	2.2
607.14648	10.8
608.14929	2.2
651.17303	1.8
727.21899	1.8
753.20392	4.0
754.21558	0.8
771.21527	100.0
772.07770	1.3
772.21924	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	771.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
58.00487	0.5
59.01268	10.6
69.60335	3.2
70.02872	1.7
71.01276	3.3
72.99191	1.2
73.02826	1.1
85.02838	1.8
85.50430	0.4
89.02322	0.9
93.03347	1.5
95.01277	0.4
96.99213	0.5
98.20526	0.9
101.02337	0.6
108.02095	2.7
109.02888	1.0
114.01080	0.5
114.01892	10.2
115.02228	0.7
117.03378	14.0
118.03740	0.5
119.04914	0.5
123.04503	0.8
131.01283	1.2
134.03664	8.5
134.06052	1.5
147.06589	0.6
149.02364	0.6
149.06010	7.3
150.03162	0.8
150.06305	0.6
151.96318	0.4
161.02382	1.7
165.05557	0.5
173.02412	1.0
175.00334	4.5
175.03940	0.6
177.01921	0.7
187.04082	0.6
188.07076	0.5
189.01993	0.6
191.03464	0.8
199.04008	1.0
201.01961	1.4
213.21925	0.4
217.01543	0.6
219.02910	0.6
221.05876	0.6
224.04802	0.4
231.02946	0.4
232.06166	9.5
233.06445	1.5
240.04408	0.7
241.04794	0.5
243.03001	1.4
249.05734	0.7
251.03558	1.6
251.07188	0.6
252.03836	0.4
253.05009	1.2
255.06601	0.5
264.04532	0.5
264.08817	3.8
265.05106	0.7
265.09116	1.1
266.05878	0.6
267.03015	5.1
267.06702	0.7
268.03864	2.2
269.04608	1.6
279.06546	0.6
281.04666	2.1
282.05411	1.2
283.06180	5.4
283.59113	0.5
292.03857	1.0
293.04639	35.5
294.04959	4.0
295.02896	0.6
295.06140	4.6
296.06641	1.2
301.07220	0.5
305.04669	0.6
307.06189	8.7
308.06909	4.4
309.04239	0.8
309.07700	3.0
310.04800	1.5
311.05493	2.5
313.07101	0.7
319.06146	12.4
320.06488	1.4
321.07718	3.4
323.05841	2.0
325.07263	9.5
328.06213	0.6
334.04797	0.7
335.05539	1.8
335.09204	0.5
337.07285	5.6
338.07538	0.6
340.06033	1.3
341.06592	0.9
343.08163	0.7
347.05548	0.6
349.07214	6.6
350.07800	0.6
352.05841	0.7
353.06616	0.7
355.08572	1.0
361.07187	1.3
363.05164	1.4
365.06580	0.6
367.08334	10.7
368.08490	1.0
379.08484	2.9
383.05304	0.5
385.07214	0.9
393.06351	3.2
402.07266	0.5
413.06683	10.3
414.07172	0.9
415.08426	0.7
417.09891	0.7
419.11380	0.6
427.08249	4.1
428.09094	3.6
431.11923	0.5
432.12280	0.7
439.10611	1.2
443.11722	6.2
444.11826	1.4
457.09561	0.5
459.10638	0.8
460.11084	0.5
461.12631	1.6
464.10898	1.3
473.12262	1.2
483.12991	1.8
487.10443	12.5
488.10837	1.8
491.13382	0.7
505.11819	0.7
517.11578	0.9
552.60327	0.4
563.15576	1.3
577.15668	1.9
603.17462	2.3
607.14728	11.4
608.15143	1.8
651.17786	2.4
652.17883	0.6
727.23083	2.3
751.55859	0.4
753.20630	4.2
771.21552	100.0
772.21973	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74371	0.3
60.99192	17.7
61.98725	0.7
69.64511	1.5
71.48449	0.3
81.05463	0.3
87.00766	1.1
88.00294	3.3
88.98697	100.0
89.02331	8.9
89.99035	1.1
92.25871	0.3
98.20475	0.4
217.59018	0.3
223.47028	0.3
279.23578	0.6
397.13541	0.6
505.08090	0.3
636.24963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
56.29462	0.9
57.03332	1.9
59.01267	65.9
59.86667	1.0
65.59040	0.8
70.18459	1.7
70.18824	3.7
71.00948	1.1
71.01273	11.5
72.99217	1.7
73.02830	3.9
75.00771	1.7
83.01266	1.7
85.02856	8.6
85.99957	0.8
87.00777	1.0
89.02338	3.7
93.03348	2.7
93.25246	0.8
95.01267	1.5
96.95914	2.4
97.02811	0.9
99.00764	1.9
101.02346	7.1
108.02080	8.7
109.02879	2.1
113.02354	6.8
117.03379	14.3
121.94391	0.9
122.36108	0.8
123.04379	1.4
125.02342	2.2
129.01788	1.0
131.01302	0.9
131.31508	1.1
134.03633	3.0
136.01590	1.6
143.03412	1.0
149.02377	1.4
149.06021	23.8
150.03171	1.5
151.00316	1.9
151.03929	1.5
153.26295	0.9
158.48552	0.9
160.03970	3.0
161.02348	2.1
161.04419	2.5
165.01816	1.3
173.02383	1.7
175.00375	5.1
175.03806	1.0
177.01945	1.0
183.13847	3.3
189.01836	1.4
193.65735	0.8
195.06519	1.3
199.04050	1.4
199.85014	0.9
201.01955	2.2
235.23506	0.9
241.08754	1.2
243.03035	1.4
249.05792	1.0
250.05814	0.9
251.03485	3.0
267.02997	6.7
268.03680	2.2
269.04355	2.0
270.37692	0.9
281.04565	3.0
281.08057	0.8
283.06183	4.3
292.04019	1.0
293.04630	34.6
294.04959	4.4
295.02936	2.0
295.06168	5.7
296.06677	2.0
301.10608	0.9
305.04541	2.1
306.05371	10.4
307.06119	5.9
309.07751	2.0
311.05750	5.5
311.11423	3.5
319.06198	14.4
320.06708	1.8
321.07925	1.8
323.05542	2.2
324.06281	1.5
325.07196	9.0
328.05807	1.2
335.05316	1.4
337.07220	6.2
338.04364	4.7
340.05643	1.2
349.07291	3.1
356.05661	1.1
356.32413	1.0
361.29489	2.9
363.04984	1.2
367.08279	6.5
373.22690	1.1
374.04224	1.4
384.06525	1.3
385.07098	2.1
393.06415	4.3
402.03439	1.0
403.08429	1.2
413.06671	19.5
414.07007	1.9
415.23322	2.7
419.10892	1.2
427.08295	4.3
428.09241	4.2
431.07520	1.7
439.10410	1.2
443.11533	49.3
444.11877	6.6
445.09396	3.9
446.09985	1.4
461.12552	5.6
466.83929	1.0
469.09143	2.0
477.19687	2.1
487.10477	56.9
488.10815	7.7
505.11676	1.9
508.09738	1.1
535.12451	1.3
563.15527	2.8
577.15533	4.0
603.17310	1.1
607.14606	12.8
608.14197	1.7
651.17352	7.0
652.17377	1.4
666.38000	2.1
667.39258	10.5
684.39343	2.1
685.39819	6.4
711.16437	1.3
727.22412	3.7
727.42438	5.1
753.19946	3.5
771.21484	100.0
772.21887	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	765.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
60.99191	17.4
61.98706	0.2
70.10274	0.7
71.01270	0.7
71.74051	0.2
77.65926	0.2
87.00769	6.1
88.00297	5.7
88.01114	0.7
88.98698	100.0
89.02334	36.7
89.99020	1.0
90.02663	0.5
93.60972	0.2
97.44943	0.2
101.02351	0.5
113.02428	0.2
183.45380	0.2
208.62952	0.2
235.08496	0.3
277.21783	1.5
321.75519	0.2
358.02191	0.2
397.13647	3.1
398.14102	0.3
415.14474	0.9
700.31641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
60.99193	15.5
61.98711	0.2
68.06243	0.1
71.01279	0.5
75.59052	0.2
87.00777	3.3
88.00301	4.2
88.01142	0.4
88.98701	100.0
89.02335	19.8
89.99054	0.8
90.02677	0.2
101.02319	0.3
113.02379	0.2
192.27168	0.2
192.54048	0.2
235.08321	0.2
241.95053	0.2
277.21875	1.1
305.08975	0.2
314.94156	0.2
397.13641	1.8
415.14691	0.6
440.23096	0.2
587.02405	0.2
769.41443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30238	0.5
63.96125	0.5
71.01270	4.4
71.11532	1.3
73.02814	0.7
74.37572	0.5
78.15808	0.4
78.98492	3.9
78.99287	0.5
79.95630	5.5
80.96410	37.8
81.03376	0.5
85.02841	1.2
87.00778	1.0
91.66231	0.5
94.97984	8.6
97.02839	0.7
99.06973	0.5
99.62775	0.5
101.02330	1.3
106.98003	2.0
110.36869	0.5
122.97494	2.2
125.02334	2.4
127.03926	0.8
134.97501	2.6
136.99130	1.0
145.22820	0.6
146.97543	0.6
148.99071	4.6
152.98590	5.7
164.97276	0.9
164.98590	9.5
167.00200	0.5
183.13869	2.1
206.99767	2.4
225.00758	18.5
255.23254	0.8
326.01331	0.5
509.17200	1.4
537.27582	1.2
637.91260	0.5
765.41162	100.0
766.41516	22.2
771.28479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.1
61.98721	1.7
66.69310	0.2
71.01274	0.6
77.68896	0.3
84.95007	1.1
86.02399	0.5
87.00773	100.0
88.00298	9.3
88.01115	1.3
89.02356	0.4
101.02372	0.4
113.08079	0.3
120.81879	0.3
140.13138	0.3
153.20401	0.3
229.37596	0.3
263.39346	0.3
277.21884	1.2
293.18292	0.3
301.98062	0.3
359.69202	0.3
389.93817	0.3
397.13541	2.5
415.14587	0.8
534.77161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52763	1.5
59.01271	2.3
68.94529	1.4
71.01252	2.3
71.60017	1.9
79.21908	1.6
82.87347	1.2
101.02348	2.4
121.78706	1.3
137.89723	1.3
150.27908	1.4
195.68156	1.5
209.11827	66.9
210.12186	4.8
227.12932	17.3
231.47581	1.4
235.08249	11.0
253.09302	10.3
277.21799	100.0
278.22183	9.0
334.55066	1.4
392.84930	1.6
444.28430	1.5
513.30713	5.1
704.03375	1.8
759.40948	27.7
760.41870	6.4
785.91083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27231	1.1
59.01278	7.3
63.12234	1.0
71.01267	16.1
73.02838	4.9
83.01247	1.5
85.02831	8.0
87.00751	2.7
90.75999	1.1
101.02345	5.9
113.02368	6.4
131.03404	2.0
132.05714	2.7
133.06523	100.0
134.06818	3.9
143.03450	3.4
149.59985	1.4
161.04504	8.3
184.61703	1.3
185.84383	1.2
205.07086	2.4
205.64075	1.3
229.60664	1.6
277.21808	52.0
278.22134	4.6
295.11868	1.4
335.16922	1.6
441.17746	43.6
442.17978	4.6
677.84839	1.4
701.39362	5.4
702.40454	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	763.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.34370	0.4
59.01262	3.6
61.98717	0.4
63.64055	0.3
67.84026	0.4
70.99716	0.3
71.00818	1.0
71.01302	1.8
71.04919	3.3
72.99253	0.3
73.02872	0.4
75.00773	0.6
77.85773	0.4
81.19462	0.4
83.01304	0.7
85.02860	1.5
89.02358	0.7
93.03378	0.5
95.04929	1.7
97.02858	8.2
99.00777	7.5
99.01350	0.5
101.02419	0.6
101.05981	2.7
107.19156	0.4
110.80503	0.4
113.02402	1.0
119.04961	0.5
121.02904	0.7
125.02455	0.4
126.87677	0.4
129.30234	0.4
131.05043	0.5
137.02423	1.6
139.03949	33.2
140.04305	1.0
145.02882	0.4
146.03722	1.4
149.02388	0.6
149.06039	0.9
151.03964	0.4
159.04478	4.0
161.02397	0.5
161.06137	0.8
163.04010	1.2
164.04668	0.4
165.01900	4.8
165.05513	0.8
174.03200	2.1
175.03958	1.2
177.05577	0.4
183.03050	1.0
183.13853	4.7
185.06143	1.8
187.07681	1.1
199.04015	0.5
201.05621	2.8
207.06619	0.7
211.03995	0.9
213.05524	3.2
214.06166	1.0
215.07137	22.0
215.28624	0.4
216.07489	1.3
229.05090	0.4
231.06635	1.0
249.05902	0.4
251.07443	0.5
261.05658	0.6
266.05933	1.0
275.07242	0.5
276.08145	0.6
277.05087	0.9
278.05637	0.6
279.06689	1.4
279.10434	0.4
280.07288	0.5
281.04800	0.4
288.04303	0.5
288.07727	0.4
289.05157	1.6
290.05917	0.6
291.06812	0.9
291.10367	1.3
293.04852	0.5
293.08209	1.9
295.06232	1.3
298.08447	0.8
299.10870	0.6
301.05203	0.9
301.08652	0.5
301.16568	3.5
302.05981	0.6
303.06754	2.2
304.07407	2.6
305.04630	1.9
305.08240	1.3
306.05347	0.5
306.08997	0.8
307.06177	1.2
307.09912	2.1
310.08615	0.4
313.11136	0.7
314.05756	0.9
315.06760	1.7
316.03836	2.6
316.07330	0.7
317.04672	7.3
317.08231	1.4
318.05179	1.1
318.08755	0.5
319.06192	4.2
319.09869	9.9
320.06839	0.6
320.10333	1.3
321.07697	0.7
321.11386	0.6
322.08658	0.7
325.10822	1.0
327.06790	0.6
327.10214	1.8
328.10880	0.5
329.08365	1.1
330.05423	1.1
330.09009	1.6
331.06216	3.5
331.09564	0.8
332.06952	9.5
332.10760	0.7
333.07544	1.9
334.04495	0.4
334.08386	0.7
335.05911	1.4
335.09326	30.1
336.09717	3.4
337.10922	21.3
337.15149	0.6
338.11365	2.1
339.06656	0.6
341.08536	1.2
343.06195	1.1
343.12054	1.3
344.06836	2.5
345.08087	9.0
345.11652	2.0
346.08484	0.9
347.05704	0.6
347.09500	0.8
347.13052	0.6
348.06314	0.7
349.07370	2.0
349.11026	0.6
350.07953	6.3
351.08533	0.9
351.13223	1.0
353.08368	0.4
355.09662	4.2
356.10529	1.2
357.07733	16.0
358.08484	5.3
359.08890	0.7
359.15149	1.2
363.12546	1.0
371.09576	0.5
371.15094	0.9
372.09918	0.8
373.10837	31.2
374.11209	4.4
375.08859	1.3
389.10123	0.6
391.11975	100.0
392.12274	12.3
394.07053	0.8
417.09814	4.2
418.10233	0.5
429.13290	0.6
435.10934	68.8
436.11258	9.1
461.16367	0.9
471.04910	0.4
583.24103	1.1
601.25391	0.4
733.28870	0.7
763.30133	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64499	0.4
55.01740	0.4
59.01001	0.5
59.01267	7.8
60.99175	0.7
61.98718	0.9
68.37400	0.5
69.03352	0.7
69.47099	3.9
70.27463	0.4
71.00909	0.5
71.01271	6.3
72.99192	0.5
73.02833	1.1
75.00725	0.5
85.02833	2.1
85.23006	0.4
87.00756	1.3
88.98689	1.6
89.02340	3.2
96.95901	0.8
97.02834	0.7
97.39323	0.4
101.02346	3.1
102.03062	0.4
109.02856	0.5
109.83093	0.4
113.02339	2.0
119.03400	0.8
119.04881	0.9
125.02367	0.8
129.03368	0.7
130.27122	0.4
135.04413	1.1
137.02301	0.5
145.06487	0.9
146.03683	1.1
147.04453	13.2
148.05261	5.6
150.03177	0.6
155.27512	0.4
158.03688	0.5
159.03174	0.9
159.04457	14.8
160.05040	1.3
161.02348	0.9
161.06015	6.0
162.06396	0.5
165.05470	0.7
172.05261	4.1
173.06035	25.8
174.03178	2.3
174.06750	3.4
175.03958	5.2
176.04579	0.5
183.13795	1.0
185.06078	2.1
186.06845	2.8
187.03984	5.0
187.05481	0.6
187.06052	0.7
187.07610	6.2
188.04420	0.5
188.08298	1.2
189.05551	14.0
190.05969	0.7
197.05920	0.6
199.07559	1.2
200.08414	1.0
201.05582	7.6
201.09172	1.1
202.05962	0.6
203.07086	0.6
211.13408	12.7
212.13628	1.1
215.07053	2.8
216.07921	33.3
217.08321	2.1
221.06609	1.5
229.12285	0.6
231.13942	0.5
255.13931	0.8
256.14563	0.6
257.15463	0.6
269.15607	0.8
271.13330	0.7
283.13379	0.9
285.15060	3.1
297.15033	15.3
297.18448	1.0
298.15366	1.2
299.12952	0.7
300.13715	10.1
301.14139	1.9
313.17987	2.1
315.16064	4.9
316.16422	0.9
318.14792	5.6
323.16556	4.5
330.14648	0.5
341.17624	47.0
342.17929	6.1
359.18701	24.3
359.23233	1.0
360.19174	3.1
433.22321	0.6
577.26514	0.8
653.40253	0.8
757.33020	100.0
758.33478	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41019	1.4
64.91559	1.2
65.79332	1.2
68.11040	1.3
68.15610	1.2
70.25344	1.3
71.01250	1.8
75.29907	1.2
83.04888	1.4
98.10819	1.2
98.19790	3.7
158.24873	1.2
163.11238	1.9
165.12816	1.5
177.11444	1.3
188.82051	1.2
209.11829	100.0
210.12201	4.2
227.12903	21.6
229.30420	1.5
235.08272	2.2
236.81065	1.3
253.09299	8.2
277.21786	55.9
278.22086	3.4
330.26291	1.4
445.20728	7.4
463.22391	1.5
513.30066	1.8
537.59534	1.5
641.30640	1.5
759.40961	24.3
760.41394	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	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.5
58.00485	0.3
59.01266	5.4
61.98713	0.6
62.63947	0.3
62.96852	0.2
69.03341	0.7
71.01270	3.6
71.04911	1.5
71.53376	0.3
71.59554	0.4
71.59972	0.3
73.02836	1.0
80.02573	1.0
81.03351	1.2
83.01264	0.6
83.04923	5.1
84.02065	0.9
85.02853	1.0
85.06495	1.2
87.00738	0.5
87.04423	0.7
89.02348	2.4
95.01292	0.3
95.04935	0.9
96.95927	0.7
97.02843	0.3
97.06490	0.7
101.02340	3.3
109.06484	1.7
111.04427	0.8
111.08037	0.5
112.05243	0.3
113.02358	2.3
118.83027	0.3
119.03428	0.6
122.25108	0.3
124.13608	0.2
125.06004	0.3
129.09151	0.4
130.53432	0.3
135.08109	0.8
143.03395	0.3
145.04950	0.3
147.11841	0.3
161.04485	1.5
163.11243	3.5
165.12775	2.4
167.10698	0.6
171.10167	0.3
177.12823	0.4
179.05612	0.5
179.10727	0.4
179.14372	1.2
181.12303	1.2
183.13861	0.4
191.10783	0.6
195.13901	9.0
196.14238	0.6
197.11803	0.8
205.12347	0.5
209.11818	100.0
210.12166	6.6
211.13402	0.5
217.16006	0.4
221.15463	5.4
222.15784	0.6
223.13434	3.2
227.12898	11.4
228.13234	0.9
233.15466	1.1
235.08183	2.4
235.17047	0.3
237.18709	0.3
239.16600	1.7
247.20721	1.1
251.16550	0.8
253.09328	16.5
254.09694	0.9
273.18689	1.0
291.19720	19.8
292.20020	2.1
309.20776	60.7
310.21136	5.1
355.72690	0.3
358.30447	0.3
445.20764	1.0
476.96936	0.3
501.32162	0.7
509.28146	0.3
519.33441	0.6
527.27863	0.3
545.29718	1.7
546.30756	0.4
571.80652	0.3
654.26782	0.3
708.24622	0.3
755.42987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01051	0.8
59.01274	10.0
61.98709	1.5
64.32293	0.9
65.00180	1.1
71.01273	4.6
71.61919	1.1
71.62334	0.8
75.00764	1.8
83.01278	1.3
85.02833	4.7
89.02348	1.9
93.03376	1.4
94.24874	1.0
96.95904	2.9
99.00793	0.9
101.02332	2.5
108.04468	1.1
109.02863	4.1
111.00764	1.5
113.02361	1.8
117.03380	1.1
119.03392	1.2
119.04931	1.3
121.02850	3.3
123.00774	2.1
124.01566	1.0
125.02308	1.4
129.01817	1.0
134.03589	1.3
135.04414	1.4
137.02370	1.2
139.03963	2.0
145.02855	1.2
146.03635	1.7
148.01573	1.3
149.02382	3.0
149.04420	1.0
150.03146	3.1
151.00279	1.0
151.03929	1.1
159.04442	1.6
160.05177	1.0
161.02367	1.6
161.04512	1.2
163.00270	1.7
163.03949	2.1
165.01778	1.0
165.05519	2.7
175.00311	2.6
179.03316	1.2
183.13838	1.5
188.04710	1.3
189.01950	1.8
189.05493	2.1
190.02748	1.0
191.03510	1.0
195.27792	0.9
198.06598	1.0
199.03987	1.2
205.04915	0.9
211.03842	1.6
213.01907	1.4
213.05525	3.5
215.03362	1.0
227.03511	3.1
227.07045	1.1
229.01526	1.5
229.05003	1.2
231.06580	2.1
237.05623	2.0
239.07195	1.8
240.04205	1.6
241.04993	4.0
242.02113	1.1
243.02823	1.5
251.03592	1.0
253.05058	3.0
254.06021	2.1
255.02960	2.2
255.06764	5.6
257.00882	4.1
258.01639	2.2
259.02444	1.6
265.05173	2.2
266.05780	1.5
267.03036	1.1
267.06808	2.8
269.00928	2.2
269.04514	3.3
270.05338	1.2
271.05789	1.0
281.04568	3.2
283.02725	1.3
283.06125	4.7
285.04007	3.0
293.04584	3.0
294.05228	1.3
295.06015	1.2
297.04099	2.3
298.04800	2.6
299.05612	8.2
311.05737	3.3
312.02835	1.5
312.06213	1.2
313.03644	2.5
326.04337	1.6
327.05115	2.9
333.03848	1.1
334.04797	1.2
335.05725	2.1
336.05930	1.0
347.05402	1.5
375.08820	1.3
379.04593	3.1
407.04156	6.7
408.04648	3.6
431.08450	1.3
439.08121	1.1
440.08563	1.8
441.08798	2.1
447.07300	1.0
448.08096	44.0
449.08725	14.0
457.08704	1.2
621.15216	1.3
647.15857	1.3
725.19733	2.1
757.19922	100.0
758.20355	23.3
758.33698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01265	8.6
71.01270	9.4
73.02850	1.8
74.33836	0.7
75.00743	0.8
85.02865	3.9
87.00762	1.5
89.02334	2.0
91.01778	0.8
93.03338	2.0
94.74941	0.7
98.19833	2.7
99.00726	1.1
101.02338	1.8
108.02067	2.2
109.02856	4.3
110.43661	0.9
113.02337	2.1
115.00283	5.8
117.03391	4.1
119.01298	2.5
119.04923	1.1
121.02858	4.2
122.03645	3.4
123.04417	2.1
124.01556	1.9
125.02393	0.8
129.01895	1.0
133.02872	5.0
134.03659	4.8
135.04414	1.9
137.02388	2.2
145.02846	2.2
146.03653	2.7
147.00804	1.4
147.04411	6.1
148.01587	1.3
148.05167	1.6
149.02365	6.6
149.06030	2.1
150.03215	6.3
151.03879	1.2
152.01074	0.9
153.01917	1.1
159.04556	1.8
160.05208	1.9
161.02361	1.7
161.05983	2.9
162.03162	1.0
163.03949	2.9
164.04732	9.0
165.01862	1.5
165.05478	2.4
173.02385	0.9
175.00331	15.9
175.03957	1.3
175.07594	1.4
176.01103	12.3
177.01964	1.5
177.05640	0.7
178.02679	1.7
179.07108	2.0
185.02245	1.0
187.03932	1.2
190.02695	40.8
191.01752	1.2
191.03455	15.4
193.05011	2.6
194.02180	1.9
205.05048	39.7
206.05440	2.2
207.06554	0.9
208.03781	1.4
209.04512	4.6
213.05521	1.6
223.06137	7.0
227.03645	0.8
229.48106	0.9
237.05540	1.4
239.07289	0.9
241.05096	11.1
241.08734	1.3
242.05511	0.8
251.07271	1.4
252.08040	0.7
253.05008	1.7
254.05867	1.9
255.06569	2.1
256.07410	6.6
257.07910	0.9
266.05817	1.0
267.06757	3.2
268.07419	6.2
269.04941	1.2
269.08228	12.8
270.08826	1.8
271.09796	6.2
272.06924	2.8
277.04865	1.5
281.04669	1.0
282.08997	1.9
283.06540	1.2
283.09787	8.6
284.10571	16.4
285.10852	1.4
293.04626	5.7
294.05215	1.8
295.06100	2.2
297.11407	3.0
299.12946	6.6
305.04510	1.6
307.06247	1.4
309.07770	0.9
311.05557	2.2
313.10938	1.3
322.04761	1.7
323.05597	3.1
335.05762	1.5
341.06796	1.2
343.11804	2.0
345.04993	0.8
352.07730	1.0
353.08969	6.3
367.10419	15.6
368.10651	1.4
385.08704	0.8
428.08893	1.4
439.08252	10.7
440.08493	2.1
457.09088	1.7
469.09344	2.0
559.12494	2.7
583.17010	1.0
587.14185	2.1
625.19061	4.8
626.19836	1.1
635.17340	1.2
639.20642	1.6
679.20178	0.9
711.23053	2.8
723.19318	13.9
724.20007	3.1
755.22015	100.0
756.22382	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.5
57.03336	5.6
58.00489	2.6
59.01267	92.4
61.98717	27.1
69.03358	2.9
70.27135	6.8
71.01271	66.6
72.99195	5.3
73.02839	14.8
75.00764	4.1
78.02711	1.5
81.03349	2.3
81.92693	1.4
83.01267	8.8
84.02011	1.7
85.02845	32.7
87.00771	5.8
89.01827	2.7
89.02342	26.7
95.01306	6.9
96.95365	1.3
96.95900	8.5
97.02843	3.9
99.00797	6.3
101.02350	34.8
109.02880	2.1
111.00812	2.5
113.02362	36.7
117.03369	1.8
119.03430	7.2
119.04961	1.8
121.02865	5.1
124.01590	1.5
125.02349	5.6
129.01830	1.8
134.03685	4.8
135.04471	1.9
143.03423	3.3
149.04420	2.1
150.03174	3.4
160.01529	2.1
161.04514	6.3
164.04704	1.6
165.05522	4.5
167.03418	1.9
173.62720	1.7
175.03905	2.0
179.05566	2.8
195.06657	2.1
217.58702	1.5
268.03885	2.1
269.04550	5.4
283.06229	1.7
293.04706	7.5
295.06192	2.0
323.05643	2.6
341.06638	1.7
343.28748	1.7
487.32968	8.4
505.33978	7.2
518.21533	1.6
559.14496	2.3
577.15234	2.7
589.13922	2.7
649.38165	100.0
650.38483	16.6
667.28021	3.4
667.39240	63.8
668.39471	11.4
694.08038	1.6
709.40344	49.5
710.40918	7.1
753.20404	6.3
753.32379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.2
61.69721	0.1
61.98712	0.3
71.01261	1.0
71.08141	0.2
72.99194	3.8
73.02835	0.3
73.99521	0.2
75.00764	100.0
76.01099	1.1
85.02844	0.2
87.00777	0.2
89.02353	1.0
97.02859	0.3
101.02340	1.1
105.38508	0.1
113.02369	0.5
119.03412	0.3
125.02365	0.5
143.03438	0.1
151.54375	0.1
161.04446	0.3
179.05576	0.3
235.08221	0.4
277.21796	3.5
278.22101	0.5
287.07739	0.3
293.21368	0.2
305.09155	0.2
397.13596	7.2
398.13858	0.5
415.14670	2.4
415.19943	0.2
416.14890	0.3
675.36023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.3
57.03318	0.8
58.00475	1.5
59.01267	41.8
59.83221	0.6
61.98704	2.3
65.07500	0.5
67.01751	0.7
68.30853	0.6
68.71744	0.6
68.99702	0.8
69.03343	2.3
70.91539	1.5
71.01271	31.5
71.04895	2.2
72.48644	0.6
72.99188	2.7
73.02842	5.3
75.00765	0.8
81.03349	2.1
81.98775	0.6
83.01271	3.2
85.02853	6.4
87.00782	7.2
89.02341	24.6
95.01284	2.5
96.95879	1.3
97.02844	5.4
99.00777	2.4
101.02351	23.8
109.02888	0.9
113.01641	0.8
113.02364	11.2
113.87673	0.6
119.03419	6.9
123.04418	0.6
125.02377	9.7
127.04005	0.6
131.03432	1.2
139.03969	0.9
141.01823	0.9
143.03456	4.1
149.04536	0.8
161.04483	5.1
179.05562	4.6
209.15529	1.2
217.16029	0.6
221.06711	2.3
223.17055	2.7
231.21225	1.3
235.08255	9.9
235.17065	16.9
236.17474	1.3
253.09328	2.4
263.07813	1.4
275.20227	17.3
276.20435	1.7
287.07770	2.9
293.21304	76.1
294.21628	6.4
305.08893	3.6
309.74512	0.6
323.09952	1.3
397.13602	100.0
398.13989	6.0
415.14673	43.5
416.15161	3.9
565.48944	0.6
691.35846	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	751.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06802	0.1
71.01279	0.3
71.29651	0.3
78.95794	2.0
79.95622	2.8
94.92431	0.2
95.97483	0.1
96.92119	0.3
96.95914	100.0
96.96900	3.0
97.02842	0.1
97.95860	0.2
98.02361	0.3
100.02577	0.1
101.02356	0.1
112.14958	0.1
117.73571	0.1
118.96569	0.2
168.98026	0.1
255.23351	0.4
291.04160	0.2
361.04947	0.2
385.19116	0.3
394.10504	0.1
397.13785	0.3
435.08441	0.4
453.09384	1.0
518.98688	0.1
618.31366	0.1
691.32294	0.9
692.32745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.4
61.98730	0.1
66.32050	0.1
70.51615	0.1
70.51956	0.4
71.01265	1.2
72.99199	3.8
73.02837	0.2
73.99554	0.2
75.00764	100.0
76.01096	0.9
83.01281	0.2
85.02865	0.2
87.00786	0.2
89.02345	1.1
95.55406	0.1
101.02340	0.8
113.02375	0.6
119.03420	0.4
125.02369	0.4
143.03448	0.2
161.04485	0.3
179.05542	0.3
192.64963	0.1
235.08266	0.4
253.09091	0.2
260.60300	0.1
277.21768	2.9
278.22131	0.2
287.07684	0.1
293.21313	0.2
301.70041	0.1
305.08990	0.4
397.13608	7.0
398.13885	0.6
415.14673	2.2
436.42313	0.1
550.69061	0.1
675.36047	0.3
778.26929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
56.33314	0.3
57.03339	0.7
58.00483	0.7
58.46811	0.2
59.01266	18.7
60.01583	0.3
61.98722	0.4
69.03344	4.3
71.01270	31.3
71.61117	0.3
72.01618	0.6
72.99203	0.7
73.02835	7.2
75.00771	1.1
76.99813	0.3
81.03348	1.5
83.01260	2.1
83.04905	0.5
85.02847	4.2
87.00759	1.3
89.02339	5.0
95.01278	1.0
96.95887	0.2
97.02849	6.5
97.06496	0.8
99.00777	1.0
99.04440	0.4
101.02348	5.9
107.04940	0.3
111.00791	0.3
111.04404	0.3
111.08073	0.5
113.02359	6.5
123.04483	0.5
125.02367	35.9
125.05997	0.9
126.02727	1.1
127.03941	0.6
127.07504	0.3
131.03421	4.4
131.04945	0.5
132.05725	0.5
133.06522	9.4
134.06915	0.4
139.03928	0.5
139.07582	0.9
143.03423	1.9
149.04488	0.3
173.04367	0.3
205.19560	0.5
217.88873	0.3
233.06616	0.6
233.22906	0.4
241.48509	0.2
255.21199	0.7
257.22772	0.5
259.20746	0.7
261.22302	0.5
263.23853	0.7
273.22284	3.9
275.07745	2.7
277.21777	100.0
278.22144	9.7
287.23773	0.6
289.21826	0.4
291.23373	22.9
292.23715	2.4
293.08783	0.3
301.21805	15.2
302.22150	1.6
313.21756	0.5
319.22836	17.3
320.23120	1.8
331.22809	2.2
332.23196	0.4
335.22443	0.4
349.23923	3.5
350.24387	0.3
493.28183	1.1
553.30481	0.3
615.89807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.0
57.03343	1.6
58.00476	5.1
59.01265	100.0
60.01611	1.2
61.98706	1.1
70.99557	1.4
71.01270	73.5
72.01613	0.9
72.99202	7.2
73.02840	2.4
75.00774	1.7
83.01265	2.8
85.02843	12.6
85.03364	0.7
87.00787	3.9
89.02339	86.1
90.02679	1.2
93.03363	2.3
95.01283	4.1
96.95928	1.1
97.02837	0.9
98.19725	0.5
99.00782	1.2
101.02347	43.1
102.02726	0.6
109.02868	0.7
113.02364	28.4
114.02761	0.7
119.03423	39.6
120.03761	0.9
121.02862	4.2
122.03653	8.7
123.00777	0.6
123.04482	0.6
124.01579	0.5
125.02340	1.4
131.03432	5.0
132.02138	0.9
133.02859	1.1
133.67525	0.6
135.00893	0.5
136.01608	1.2
137.02377	0.8
143.03430	8.1
149.02383	15.9
149.04355	3.1
150.03175	51.3
151.03604	2.0
153.01897	2.6
160.01608	1.8
161.02335	0.7
161.04509	7.6
162.03137	1.4
163.04039	0.6
164.04739	2.6
165.05525	38.0
166.05844	2.1
177.05449	1.2
179.05594	18.1
179.07080	1.3
180.04262	3.3
180.07866	0.6
181.04846	0.6
195.06615	27.5
196.06897	1.7
223.09666	0.8
241.15451	0.5
242.09367	1.1
257.11884	1.4
265.44922	0.5
270.09033	2.4
282.08939	0.8
285.11401	2.7
298.08575	2.7
310.08435	1.5
311.09195	1.7
313.10870	2.9
318.91748	0.5
323.09244	0.7
324.09955	1.2
325.10608	2.0
326.07828	2.8
326.11603	1.3
340.12973	0.9
341.06308	1.0
341.10370	17.9
342.10605	1.7
356.12708	8.2
357.12943	1.4
359.14941	0.6
370.10474	0.6
371.15054	27.4
372.15396	3.4
373.12692	1.0
385.12479	0.6
519.20337	12.7
520.20288	2.1
585.22571	1.7
599.21344	0.9
636.29041	0.5
699.25629	0.8
747.28754	7.8
748.28210	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.9
56.27589	0.4
57.03333	1.3
58.00486	1.0
59.01263	23.9
61.98709	0.9
69.54079	2.5
69.54502	1.7
71.01270	19.4
72.99197	2.1
73.02843	3.8
75.00779	0.7
83.00790	0.4
84.97234	0.5
85.02846	6.9
85.99991	0.6
87.00762	2.4
89.02339	12.4
93.03352	4.7
95.01268	2.2
96.95914	1.2
99.00774	1.9
101.01710	0.9
101.02344	13.4
108.02070	1.2
109.02857	2.9
111.00845	0.6
113.02346	6.6
119.03413	6.5
121.02866	7.8
122.03662	14.1
123.00771	0.6
123.04463	1.4
124.01613	0.8
125.02351	0.6
131.03455	0.6
132.02092	0.9
133.02913	3.0
133.03709	0.5
134.03638	1.9
135.04434	1.9
136.01558	2.5
137.02420	1.1
138.03117	0.7
139.03973	0.7
143.03477	0.6
145.02879	0.8
147.04443	1.4
148.01535	0.6
149.02383	26.4
149.05998	3.1
150.03165	100.0
151.03642	4.6
153.01886	1.3
153.05501	0.5
159.04466	0.7
160.03931	0.7
161.02393	0.8
161.04504	1.4
161.05934	0.9
162.03185	0.9
163.03955	1.7
164.04741	5.6
165.05521	86.7
166.05862	3.5
175.03999	1.9
177.05441	1.5
179.05557	3.9
179.06927	0.8
180.04265	7.4
181.04749	0.6
187.04044	0.7
190.06277	1.6
191.07080	1.1
193.05136	0.8
194.05792	1.4
195.06609	32.4
196.06906	2.5
202.06349	0.6
205.05000	1.7
205.08734	1.5
207.06581	1.1
208.07451	1.1
220.07379	1.2
235.09904	0.6
265.05222	0.7
267.06573	0.6
286.08350	0.8
296.06976	0.7
297.07803	0.7
297.11154	0.7
298.08502	0.8
311.09250	3.0
313.10880	1.1
323.09122	0.6
325.10831	1.1
326.11609	1.5
327.12405	0.8
329.10339	0.7
341.10391	1.6
341.14127	0.9
342.11075	1.0
343.08276	0.6
343.12024	1.4
344.12708	2.1
345.13446	1.1
355.12289	0.7
356.12717	1.9
357.13361	1.8
359.15091	6.3
360.15158	0.6
371.15198	4.4
373.12842	0.8
385.13110	1.1
427.52594	0.5
461.16318	0.8
475.17191	0.6
491.15790	1.5
503.16022	2.8
506.18115	3.2
507.20038	3.0
518.17963	1.2
519.20026	1.4
521.20355	13.0
522.20490	2.5
533.20392	15.1
534.20764	2.1
537.21338	6.2
538.21899	1.2
551.21661	3.0
585.23584	4.8
586.24213	0.7
599.21954	1.0
669.25952	1.3
681.25720	12.0
682.25800	3.1
699.26709	47.6
700.27087	11.0
711.02106	0.7
729.28003	1.0
747.28992	29.2
748.29218	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	747.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.6
57.03342	1.3
58.00487	5.0
58.73530	0.6
59.01265	100.0
60.01609	1.1
69.39171	2.0
69.39588	4.2
71.01270	73.9
72.01611	0.8
72.99200	5.4
73.02842	1.6
75.00765	1.0
83.01286	2.7
85.02844	12.0
87.00756	5.2
89.02337	80.8
90.02676	0.8
93.03372	2.7
95.01297	4.1
96.95866	0.8
99.00797	0.7
101.02345	38.1
102.02666	0.6
109.77101	0.6
113.01550	1.0
113.02357	28.6
119.03415	35.4
120.03817	0.6
121.02863	3.0
122.03665	9.8
123.62220	0.6
125.02401	1.0
131.03439	4.7
133.74452	0.7
134.03734	0.8
135.04482	1.2
136.01607	2.1
137.02446	0.9
143.03447	7.9
149.02388	15.8
149.04443	3.3
149.05981	0.6
150.03169	66.2
151.03763	2.8
154.56558	0.6
160.01634	2.0
161.04495	7.3
164.04692	3.0
165.05519	51.4
166.05922	2.7
175.03952	1.0
179.05585	19.8
180.04259	3.7
181.05083	1.3
195.06604	30.8
196.07005	1.3
205.44301	0.6
242.09479	0.8
249.01578	0.6
257.11835	1.1
270.09106	2.7
285.11511	2.5
298.08508	3.1
310.08582	1.2
311.09418	1.6
313.11023	1.9
323.09497	1.1
324.10223	1.1
325.10980	3.2
326.08124	3.0
326.11591	1.3
340.13416	1.0
341.10321	22.2
341.14240	1.2
342.10986	2.4
356.12677	8.3
357.13364	1.8
371.15067	32.7
372.15231	3.5
387.14679	0.8
519.20630	2.3
537.21289	2.9
553.55988	0.7
585.23029	1.4
699.27277	1.0
747.28925	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	747.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91624	2.8
59.01262	8.7
61.98721	7.9
67.67948	3.0
67.82713	3.0
71.01251	3.7
71.60918	4.0
78.60239	2.9
85.02879	3.1
96.95933	8.7
108.02048	5.9
149.06067	4.0
156.14087	2.8
177.01888	14.1
183.13846	5.4
189.01874	4.1
195.02711	2.9
201.05391	3.3
203.03513	3.3
204.04887	9.5
209.11823	6.7
227.07123	4.1
229.08774	5.2
241.05051	3.7
247.05438	4.5
257.08298	17.6
269.04584	4.8
291.10309	6.2
295.06339	4.3
301.07306	3.9
305.04407	3.2
313.07373	6.8
319.10043	35.6
320.10455	5.0
333.04083	13.2
333.07516	3.5
335.09320	6.0
336.10077	10.2
337.10892	87.7
338.11362	6.3
347.05621	12.6
347.09454	4.6
348.06302	4.9
349.07162	3.7
362.08051	6.1
363.48682	3.5
391.08026	4.3
405.13644	17.7
427.11649	3.5
433.12982	55.6
434.13342	6.5
675.81476	3.9
703.22113	25.4
729.19910	10.9
741.78766	3.2
747.20795	100.0
748.21777	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43200	0.4
55.01764	1.0
57.03352	1.0
58.00476	0.9
59.01265	25.8
61.98721	0.9
67.01795	0.5
67.63206	0.5
69.03329	0.5
69.11666	0.4
69.34449	2.3
69.34882	2.3
71.01270	20.8
72.52780	0.6
72.99203	1.8
73.02838	3.0
75.00758	1.0
81.00796	0.5
85.02849	7.8
86.00053	0.5
87.00774	2.8
89.02341	11.9
93.03368	4.7
95.01299	1.7
95.04939	0.5
96.95918	1.6
99.00764	1.6
101.02348	13.9
108.02088	1.7
109.02892	3.2
113.02362	8.3
115.00287	0.6
119.03428	6.4
119.04909	0.5
121.02869	7.9
121.89892	0.5
122.03665	13.8
123.04440	1.6
124.01586	1.0
125.02348	0.7
129.01927	0.6
131.03429	1.6
132.02109	1.1
133.02892	2.4
134.03642	2.6
135.04460	1.6
136.01593	2.1
137.02391	2.2
138.03177	0.9
141.01796	0.6
143.03452	1.4
145.02841	0.7
146.03635	1.0
147.04456	1.6
149.02385	30.4
149.06012	3.0
150.03171	100.0
151.03656	4.0
151.19374	0.5
152.01086	0.8
153.01852	2.2
158.03822	0.7
159.04399	0.7
161.02440	0.9
161.04527	1.9
161.06020	0.7
162.03221	1.5
163.03938	2.2
164.04749	5.4
165.05527	89.4
166.05893	4.4
167.03465	0.6
173.05975	0.7
173.43053	0.5
175.03978	1.9
177.05519	1.0
179.05583	4.3
179.07039	0.9
180.04271	6.2
181.04985	0.8
187.03966	0.9
189.05412	0.7
190.06351	1.9
191.07137	0.9
193.04997	0.9
194.05817	1.4
195.06612	41.9
196.06950	2.2
205.05049	0.7
205.08727	1.2
207.06648	1.2
208.07521	0.8
220.07385	0.7
267.07053	0.6
283.09747	0.8
290.08054	0.9
295.06293	0.6
296.06931	0.8
297.07697	0.9
297.11118	0.6
298.08463	0.8
299.09341	0.8
311.09317	2.3
312.09921	0.7
313.10907	1.5
325.10901	0.8
326.11459	1.0
327.12485	1.2
329.10382	1.5
341.10239	1.2
341.14047	0.9
342.11047	1.1
343.11887	1.1
344.09042	0.6
344.12726	1.8
345.13580	1.1
356.12643	3.2
357.13422	1.1
359.15051	8.0
371.15073	5.7
373.12967	0.9
385.13046	0.6
491.15778	1.3
503.15866	2.4
506.17932	3.1
507.19928	2.3
518.17841	1.2
519.19928	2.3
520.20581	0.7
521.20404	17.1
522.20386	2.5
533.20386	16.5
533.26575	0.4
534.20850	2.2
537.21417	6.3
538.21710	1.0
551.21442	3.3
585.23376	7.1
586.23816	1.5
599.21661	1.1
605.22675	1.0
669.25537	1.9
681.25629	14.8
682.26453	3.1
699.26715	57.4
700.27173	12.7
729.27924	1.9
747.28943	34.1
748.29279	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	747.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.8
59.01247	7.6
61.98691	5.3
71.01261	3.4
71.60877	2.5
74.14198	1.5
79.68533	1.4
88.15356	1.9
92.53623	1.4
96.95903	3.9
97.02774	1.7
97.61447	1.6
99.04407	1.8
108.02071	4.4
109.02868	1.6
123.04426	2.4
125.02331	3.1
133.02831	2.5
139.03929	6.8
147.04462	2.6
175.03940	2.4
177.01871	8.8
183.04475	1.8
185.06104	2.3
189.01915	6.1
191.03487	8.6
201.01781	2.1
203.03473	2.3
213.05547	4.6
215.07082	1.9
216.07948	2.5
219.02966	12.6
227.03423	2.2
227.07130	2.0
229.08536	2.2
233.04588	2.1
241.05016	4.0
242.05557	1.8
245.11858	3.1
251.06993	1.9
251.32588	2.1
257.08154	4.8
271.05920	2.5
289.05182	2.0
291.06918	1.6
291.10352	6.2
293.04547	1.8
297.04071	2.3
299.05560	2.7
301.04849	3.1
313.07178	5.7
315.08963	3.0
317.07852	2.4
319.06152	4.5
319.09778	31.3
320.10385	9.1
321.07748	2.3
331.05930	2.1
332.06683	2.3
333.04160	13.3
333.07709	3.1
335.09268	3.7
336.09979	5.9
337.10889	80.1
338.11264	8.6
343.08377	5.5
345.07956	5.2
346.04691	2.2
346.08624	2.2
347.05493	14.7
347.09180	2.3
348.06201	3.0
359.05640	2.6
361.07144	3.3
362.07910	6.0
375.12378	4.7
386.07776	2.3
403.11942	7.7
405.13513	20.1
433.12863	5.4
605.14148	2.0
623.15637	2.2
624.72351	1.9
685.20953	2.3
705.22827	2.0
711.19055	7.3
729.19928	7.0
747.20966	100.0
748.21265	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	747.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59228	1.7
54.23339	1.7
59.01260	7.2
61.98700	5.2
70.01790	8.2
76.60448	1.8
79.31998	2.0
82.69773	1.9
85.07470	1.6
88.98722	1.6
96.95911	6.7
108.02080	5.7
109.02895	1.9
112.98691	1.9
126.59972	1.8
129.62572	2.6
149.06006	3.1
161.02451	1.9
177.01909	8.5
189.01851	8.9
190.02724	3.4
191.03413	5.0
203.03569	2.4
209.11794	4.1
211.82941	2.0
216.04182	2.1
219.02963	5.5
227.07027	2.3
229.08685	3.3
233.04561	3.7
241.05055	4.0
242.05818	2.0
257.08224	15.1
270.05374	3.4
291.10403	6.8
293.08649	2.6
296.06763	2.1
299.05490	2.3
301.07571	3.6
305.04599	3.2
306.05490	1.9
313.07404	9.3
318.05334	2.6
319.06232	4.3
319.09784	36.1
320.10318	6.6
321.07764	3.2
321.11560	2.9
333.04147	10.5
333.07687	2.9
334.04254	2.1
334.08392	2.8
335.09296	4.1
336.09937	6.6
337.10892	87.1
338.11258	6.4
341.06555	4.3
346.08490	3.8
347.05753	9.1
347.09384	3.1
361.07123	3.0
362.07925	3.2
389.10321	3.8
403.11792	5.9
405.13614	19.8
433.13046	44.0
434.13205	7.4
581.24396	2.4
605.13953	2.5
614.44250	2.0
623.15918	4.2
685.20081	3.3
703.21973	19.3
704.21948	2.8
729.19525	8.8
747.20990	100.0
748.21362	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13284	1.4
59.01266	8.6
61.98716	7.8
69.29345	4.3
69.29755	14.4
71.01279	4.0
73.02839	1.5
75.00762	1.6
93.97558	1.6
96.95892	4.0
107.12561	1.7
108.01376	1.5
108.02077	4.9
109.02911	1.6
111.86645	1.5
113.02352	2.3
123.04507	2.7
125.02351	2.3
133.02872	2.0
135.04475	2.2
160.01567	1.8
165.14091	1.6
177.01923	9.5
189.01892	4.2
191.03403	1.6
201.05539	2.0
203.03523	2.9
213.05673	1.9
219.02959	2.4
227.07103	2.1
229.08644	1.6
233.04558	1.9
241.04994	3.3
242.02159	10.0
242.16158	1.5
243.02887	2.1
250.06435	1.8
257.08240	9.1
259.06076	2.6
270.05435	2.9
271.05930	2.6
277.04565	1.6
288.04541	1.7
290.09543	2.1
291.10364	5.3
301.07535	3.4
305.04590	2.3
307.06079	2.6
313.07251	6.6
315.07095	1.7
319.06384	3.1
319.09799	38.8
320.10397	6.9
321.07684	2.4
329.04526	3.4
332.07016	2.0
333.04129	13.8
333.07602	2.5
335.09378	4.7
336.10013	6.7
337.10889	84.0
338.11230	8.8
344.06757	1.8
347.05704	9.5
347.09335	2.8
348.06375	2.8
361.07108	2.4
362.07983	3.3
403.11874	5.3
405.13486	5.0
415.12106	1.8
433.13010	18.0
434.13434	2.6
623.15338	3.3
703.22272	18.0
704.22150	3.1
706.17230	3.3
729.20294	4.3
747.21008	100.0
748.21375	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77602	0.7
55.34225	0.9
57.03342	1.3
59.01267	12.4
60.01600	0.9
61.98728	4.8
63.02290	2.4
65.00221	3.1
70.21001	4.0
71.01265	5.1
73.02835	1.1
83.01288	3.3
83.04913	1.0
85.02866	2.6
85.08358	0.8
87.00774	1.8
88.98690	1.2
89.02349	3.1
93.03384	2.4
95.01302	1.1
96.95902	3.5
99.00746	1.2
101.02349	2.7
107.01288	5.2
109.02881	2.3
111.04411	0.9
113.02367	3.2
115.00295	1.5
119.03539	0.8
119.04890	0.9
121.02895	1.3
125.02370	5.1
127.03934	1.7
133.02921	1.6
135.04433	1.4
137.02367	3.6
147.04384	1.0
149.02399	2.3
150.03111	1.5
151.00331	15.7
151.03961	1.3
152.00951	1.3
159.04433	1.1
161.02396	2.1
161.04469	1.2
163.04071	0.9
164.00998	1.0
165.01918	1.4
165.05594	2.7
169.01385	4.3
173.06078	0.9
174.15656	0.9
175.02466	1.2
177.01889	4.8
178.99825	21.5
179.03439	1.9
183.13895	1.2
187.03995	1.1
189.02002	1.0
190.02676	1.2
193.01453	7.1
195.06487	1.0
199.04025	0.9
201.05635	1.5
203.03464	2.1
205.01428	38.9
206.01825	1.8
207.03012	2.3
215.06982	1.1
227.07184	1.5
229.01495	1.3
231.02986	16.9
231.06606	0.9
233.00896	2.1
242.02415	1.4
243.02930	1.0
247.02348	1.3
265.05194	1.2
266.06058	0.9
267.06805	1.9
269.04489	1.2
289.05261	0.8
293.04697	1.9
295.06238	3.5
301.05237	2.1
304.03632	0.8
304.07678	0.9
305.04602	3.4
305.07938	0.8
306.05261	0.8
307.09448	1.1
310.08716	1.3
310.65237	0.8
315.06699	1.2
316.03760	0.8
317.04611	2.5
319.02759	1.8
319.06207	2.7
319.09933	2.3
320.06839	1.2
321.04132	2.1
321.07663	1.6
325.10843	2.6
329.04617	1.8
330.05011	1.2
331.06335	1.3
331.10025	0.8
333.04117	17.5
333.07663	2.5
334.04727	2.9
334.08481	1.9
335.05649	2.4
335.09299	2.7
336.06564	5.0
337.10864	8.9
338.11273	1.1
343.06137	2.5
343.09607	1.7
344.06760	1.2
345.04187	1.0
345.07895	1.0
346.04773	1.7
347.05698	11.4
348.06470	5.5
349.07217	1.0
357.07703	2.0
359.09583	0.9
359.15070	2.5
361.07224	2.8
362.07849	6.5
367.10233	1.0
369.07632	1.7
370.08850	1.1
371.09302	2.0
371.15063	2.4
375.08954	2.0
377.10437	9.1
378.10733	1.6
385.10834	3.1
387.08798	1.2
389.10507	19.0
390.10620	2.3
391.12036	2.2
403.12094	7.2
404.12402	1.4
407.07919	7.2
413.10333	2.4
429.10117	1.2
437.09265	1.2
457.09714	1.0
521.05334	1.4
524.07629	3.6
525.08136	1.3
547.10492	1.6
565.11523	36.9
566.11859	7.9
583.12579	100.0
584.12939	15.9
701.38312	1.2
745.17902	16.7
745.30432	2.5
746.18024	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	743.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71334	0.2
55.21149	0.2
57.43646	0.2
59.01258	0.7
60.99188	16.0
62.55927	0.2
71.01247	0.4
71.23063	0.3
87.00777	2.6
88.00296	5.2
88.01105	0.4
88.98694	100.0
89.02330	19.1
89.99038	0.9
90.02653	0.3
97.83422	0.2
111.12615	0.2
125.04472	0.2
242.24478	0.2
255.23309	0.8
273.97488	0.2
397.13507	2.1
403.98468	0.2
474.93390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70424	0.6
57.03320	1.4
58.69142	0.6
59.01267	6.8
61.98717	4.1
63.02273	2.9
65.00185	4.1
71.01256	2.8
71.89268	0.5
73.02822	1.2
73.70867	0.7
78.14194	0.7
83.01276	3.5
83.04868	0.9
85.02839	1.1
87.00784	0.9
89.02332	1.8
89.16413	0.6
93.03346	2.3
95.01287	1.5
95.09219	0.6
96.95912	2.3
98.19804	1.8
101.02338	1.7
107.01296	6.8
109.02842	1.7
113.02355	1.3
117.03361	0.7
119.04931	0.7
121.02864	1.7
123.00808	1.9
123.04418	1.0
125.02369	5.5
127.03929	1.9
132.02061	0.7
133.02890	1.8
134.03690	0.6
136.05241	0.9
137.02347	2.8
139.03964	0.7
149.02364	2.1
149.05922	1.1
150.03175	2.7
151.00308	18.4
152.00786	0.6
159.04431	1.8
160.01601	2.0
161.02361	1.5
163.00385	0.9
163.03900	1.1
165.01842	0.9
165.05476	1.6
167.03429	0.8
169.01363	3.9
174.03221	0.8
175.03952	2.7
177.01900	4.9
178.99814	22.5
179.03445	1.8
180.00174	1.1
187.03894	1.1
192.00694	1.0
193.01381	9.6
195.06677	0.8
199.03955	0.6
201.01898	0.9
201.05531	1.6
203.03430	1.6
205.01407	45.8
206.01784	2.6
207.02957	3.3
213.05330	0.6
214.02719	1.4
215.07191	1.1
225.05339	0.8
227.03522	1.1
227.07188	1.1
229.01459	1.5
231.02989	19.5
232.48410	0.6
233.00922	2.2
242.02200	1.4
243.02982	1.1
245.00787	0.8
249.05754	1.0
255.02884	0.9
255.06575	1.2
257.04395	1.0
264.04190	0.9
265.05093	1.5
266.05765	0.7
267.06677	1.1
269.04581	3.0
277.04965	0.8
279.06613	0.7
289.05078	1.1
291.06854	0.9
291.10306	0.7
293.04590	1.8
293.07980	0.7
295.06140	1.2
301.05087	2.3
302.05966	0.8
303.06732	1.2
304.03952	0.9
305.04636	4.0
305.07745	1.0
307.06461	1.3
315.06723	1.0
316.07358	0.8
317.04523	3.3
317.08023	1.2
319.02487	1.9
319.06198	3.2
319.09793	4.0
320.03250	0.9
320.06741	1.2
321.04080	2.1
321.07712	1.6
329.04480	3.0
330.05414	1.3
331.06039	0.8
332.03259	1.1
332.07022	1.1
333.04117	19.5
333.07739	3.2
334.04785	4.5
334.08316	1.0
335.05634	3.1
335.09351	4.0
336.06436	6.6
336.09958	1.2
337.07132	0.6
337.10867	11.9
338.11014	1.0
341.04706	0.9
343.06107	2.2
343.09784	1.0
344.06708	0.9
345.04019	1.1
346.04752	1.3
347.05627	13.7
348.06378	6.3
349.07068	1.2
355.06351	1.1
356.07214	0.6
357.07825	1.7
359.05579	1.5
359.09680	1.2
360.06519	1.2
361.07330	3.3
362.08060	7.3
369.07651	1.4
370.08478	1.1
371.05371	1.3
371.09488	1.3
372.06323	1.4
373.10962	1.3
375.08792	2.7
376.05804	1.4
377.10370	11.2
378.10666	1.4
385.10846	2.4
387.08844	1.6
388.09650	1.6
389.10410	22.4
390.10974	3.1
391.08044	11.8
391.12268	2.0
392.08655	1.3
393.06427	1.4
403.11984	8.4
404.12286	1.1
407.07806	9.3
408.08206	0.7
411.08218	0.8
413.10400	3.4
429.09946	1.3
478.07239	0.7
497.31329	1.1
509.05145	1.0
521.04907	1.5
524.07526	4.9
525.08429	0.9
535.07318	0.7
547.10449	1.5
549.27228	1.7
565.02405	0.8
565.11499	38.8
566.12000	6.7
583.12579	100.0
584.12878	19.6
697.32635	1.1
699.19452	1.3
700.40070	0.7
701.38336	1.2
745.17963	21.6
745.29175	0.8
746.18530	4.8
778.56195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
70.52715	3.4
70.53070	4.9
78.95795	39.5
78.96230	3.0
95.56250	1.9
96.96879	3.5
125.73856	1.6
152.99512	47.9
171.00600	5.4
227.03233	5.9
252.51852	1.6
253.21764	16.6
255.23375	4.0
277.21780	100.0
278.22110	11.3
279.23352	5.3
280.23502	1.9
281.24899	2.9
305.52881	1.6
365.96182	2.1
453.12531	1.7
505.25797	50.5
506.26126	6.2
741.46802	15.8
742.48077	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	743.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03331	1.0
58.00478	0.2
59.01265	100.0
60.01598	1.0
63.06319	0.2
69.56734	1.3
71.01270	10.9
72.99210	0.3
73.02834	3.8
75.00763	0.3
83.01285	1.8
85.02845	5.4
85.03367	0.3
87.00791	0.4
87.62083	0.2
89.02341	1.2
95.01286	0.8
97.02883	0.6
99.00774	1.6
101.02349	9.0
113.02360	4.8
117.96635	0.2
119.03436	0.2
125.02390	0.5
125.93385	0.2
129.01846	0.4
138.06802	0.8
143.03444	0.7
153.09172	2.0
159.02960	1.1
161.04500	5.9
179.05566	0.3
191.01762	0.2
205.03535	0.2
207.14070	0.3
209.03111	0.2
209.11870	0.2
225.14992	3.7
226.15375	0.3
251.09227	0.2
269.10370	10.7
270.10748	0.7
290.26010	0.2
311.11441	11.7
312.11868	0.6
355.10562	0.4
387.20300	3.5
388.20956	0.4
391.14536	0.2
419.38907	0.2
449.20502	0.5
580.98920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16201	0.4
55.02452	0.4
57.03289	0.5
59.01261	4.5
61.98721	1.2
63.71733	0.4
65.52141	0.4
67.45203	0.4
69.27831	4.5
71.01271	3.6
72.99200	0.5
73.02859	0.9
80.02559	0.5
81.03363	0.8
83.01267	0.6
83.04922	4.1
84.02029	0.5
84.48152	0.5
85.02835	0.9
87.00783	0.9
89.02338	2.0
95.04914	0.5
101.02344	3.6
113.02348	1.7
120.29061	0.4
125.09631	2.2
127.11198	1.8
155.10724	0.8
161.04480	1.9
163.11220	2.9
165.09183	1.2
165.12807	1.4
171.10199	1.4
175.73618	0.5
179.05649	0.4
181.12292	0.7
183.10245	0.6
191.10664	0.5
199.09700	0.6
201.11301	37.7
202.11684	2.4
209.11816	88.1
210.12193	5.0
227.12892	12.1
228.13405	0.5
235.08270	6.2
253.09319	15.7
277.21774	100.0
278.22119	10.5
319.61487	0.5
416.84985	0.5
419.19388	0.5
437.20425	2.2
443.31757	1.3
445.20541	1.3
461.32834	0.9
513.30865	1.5
651.80811	0.6
699.06488	0.5
738.38544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01269	4.8
59.89582	0.4
61.98721	22.1
70.82246	1.4
71.01273	5.2
72.99187	0.9
73.02834	1.0
73.57000	0.4
76.08463	0.5
80.02578	0.7
81.03371	0.7
83.01262	0.8
83.04926	3.8
85.02816	0.8
87.00792	0.8
89.02348	3.6
95.11163	0.5
101.02346	3.3
103.37490	0.5
113.02375	1.6
119.03460	1.0
125.02351	0.5
125.09641	1.9
127.11204	2.4
127.99760	0.5
142.37370	0.4
143.03462	0.7
155.10727	0.8
161.04462	1.6
163.11182	3.1
165.09164	1.0
165.12836	1.7
171.10229	1.4
179.05608	1.0
179.84567	0.5
181.12317	1.0
183.10176	0.5
183.13910	1.0
191.10732	1.0
199.09772	0.4
201.11311	42.7
202.11641	1.6
209.11827	100.0
210.12160	5.1
213.71654	0.6
227.12946	9.6
228.13329	1.0
235.08315	2.6
236.99312	0.4
253.09349	12.5
277.21790	69.3
278.22113	6.8
279.22543	0.6
281.25021	1.5
282.25354	1.5
283.25528	0.8
389.18942	0.5
397.13687	1.4
398.13831	1.6
399.14221	1.7
419.19244	0.7
437.20404	2.3
445.20984	1.8
461.32825	1.2
505.25763	1.1
513.30817	0.9
623.73315	0.6
730.34503	0.7
741.43787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.8
59.01266	20.2
60.13480	1.4
63.76596	1.3
69.44971	13.6
71.01270	10.0
72.99194	2.4
73.02829	1.6
75.00758	4.1
82.73057	1.4
83.01244	1.7
85.02831	9.3
87.00748	2.1
89.02320	7.8
90.20615	1.4
93.03365	8.6
96.95881	1.8
99.04330	1.7
101.02338	6.1
107.01267	2.1
108.02071	1.6
113.02338	6.1
117.03384	13.5
119.03390	1.6
119.04951	20.6
122.03639	2.3
123.04417	2.4
125.02345	3.1
134.03629	1.9
135.02917	5.0
136.01602	3.9
137.02457	1.7
149.02393	2.7
149.06068	1.7
150.03157	10.3
151.00316	2.5
151.03912	7.2
152.01013	1.7
153.01846	4.2
160.03963	4.0
161.05980	2.9
165.01814	1.9
165.05540	8.7
166.02641	2.1
175.00189	3.2
177.01964	2.5
177.05490	3.8
180.04283	1.5
181.05005	3.0
185.02362	2.7
193.01332	2.2
195.06587	6.1
201.01927	2.6
205.05014	7.7
229.39420	1.7
241.05028	7.6
243.03047	2.5
249.05721	1.9
253.05045	9.1
256.07407	6.6
267.02985	5.1
267.07077	2.1
269.04456	3.2
271.06216	2.9
271.09723	12.1
277.05093	3.1
281.04489	3.4
283.03036	1.5
283.06064	2.8
293.04654	32.1
294.04944	4.1
295.06140	16.7
300.02664	2.9
301.03448	3.3
301.10754	3.4
305.04578	3.8
307.06213	6.2
308.06952	3.4
309.07578	3.4
311.05618	2.7
319.06155	15.5
319.11874	3.6
320.06961	2.0
321.04150	2.5
321.07794	1.7
322.04633	2.9
323.05548	5.2
335.05579	1.8
337.07172	12.1
349.07175	5.3
363.04938	4.1
364.05539	2.7
367.08075	6.6
373.13266	3.9
397.06995	5.2
413.10535	10.5
421.14725	2.3
443.11151	2.3
457.09296	15.9
458.09647	3.0
469.11160	1.8
483.12943	2.9
497.18228	2.2
519.20258	4.3
525.74902	1.7
577.13867	12.8
603.17474	4.3
621.16547	7.2
681.36755	2.0
723.18250	3.1
741.20245	100.0
741.30255	4.1
742.20569	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.8
59.01266	20.2
60.13480	1.4
63.76596	1.3
69.44971	13.6
71.01270	10.0
72.99194	2.4
73.02829	1.6
75.00758	4.1
82.73057	1.4
83.01244	1.7
85.02831	9.3
87.00748	2.1
89.02320	7.8
90.20615	1.4
93.03365	8.6
96.95881	1.8
99.04330	1.7
101.02338	6.1
107.01267	2.1
108.02071	1.6
113.02338	6.1
117.03384	13.5
119.03390	1.6
119.04951	20.6
122.03639	2.3
123.04417	2.4
125.02345	3.1
134.03629	1.9
135.02917	5.0
136.01602	3.9
137.02457	1.7
149.02393	2.7
149.06068	1.7
150.03157	10.3
151.00316	2.5
151.03912	7.2
152.01013	1.7
153.01846	4.2
160.03963	4.0
161.05980	2.9
165.01814	1.9
165.05540	8.7
166.02641	2.1
175.00189	3.2
177.01964	2.5
177.05490	3.8
180.04283	1.5
181.05005	3.0
185.02362	2.7
193.01332	2.2
195.06587	6.1
201.01927	2.6
205.05014	7.7
229.39420	1.7
241.05028	7.6
243.03047	2.5
249.05721	1.9
253.05045	9.1
256.07407	6.6
267.02985	5.1
267.07077	2.1
269.04456	3.2
271.06216	2.9
271.09723	12.1
277.05093	3.1
281.04489	3.4
283.03036	1.5
283.06064	2.8
293.04654	32.1
294.04944	4.1
295.06140	16.7
300.02664	2.9
301.03448	3.3
301.10754	3.4
305.04578	3.8
307.06213	6.2
308.06952	3.4
309.07578	3.4
311.05618	2.7
319.06155	15.5
319.11874	3.6
320.06961	2.0
321.04150	2.5
321.07794	1.7
322.04633	2.9
323.05548	5.2
335.05579	1.8
337.07172	12.1
349.07175	5.3
363.04938	4.1
364.05539	2.7
367.08075	6.6
373.13266	3.9
397.06995	5.2
413.10535	10.5
421.14725	2.3
443.11151	2.3
457.09296	15.9
458.09647	3.0
469.11160	1.8
483.12943	2.9
497.18228	2.2
519.20258	4.3
525.74902	1.7
577.13867	12.8
603.17474	4.3
621.16547	7.2
681.36755	2.0
723.18250	3.1
741.20245	100.0
741.30255	4.1
742.20569	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41901	0.1
59.01259	0.8
61.98719	100.0
62.98425	0.2
71.01298	0.1
71.61692	0.1
74.03785	0.1
74.63600	0.1
75.00738	0.1
81.03372	0.1
83.04939	0.5
84.05258	0.1
85.02837	0.3
86.58604	0.1
89.02336	0.2
97.78712	0.1
137.02429	0.1
149.05986	0.6
150.06413	0.3
225.16081	0.3
226.16446	0.3
227.16774	0.1
282.05344	0.1
389.10529	0.2
422.29416	0.1
433.09708	0.1
453.33856	0.2
540.96527	0.1
678.50159	0.6
679.50665	1.3
680.50793	4.7
681.51147	0.3
697.22046	0.2
740.49579	2.5
741.20642	1.1
741.49536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65810	0.3
59.01272	2.4
61.98721	5.6
63.81709	0.3
63.99160	0.4
71.27815	0.7
77.03855	2.6
83.04942	0.7
101.02365	0.4
113.02332	0.3
121.02879	100.0
122.03210	3.2
124.52128	0.3
137.02406	0.3
141.01659	1.6
165.01898	71.1
166.02238	2.7
180.05780	0.4
181.06580	2.7
191.03586	1.5
192.62019	0.3
195.13884	0.5
207.34071	0.3
209.11826	10.5
210.12189	5.4
225.05612	1.4
227.12909	1.1
253.09343	1.3
275.20230	1.1
276.20673	0.7
277.21658	0.5
291.94534	0.3
293.21332	3.5
294.21573	1.9
313.07159	1.5
327.76086	0.3
357.06250	9.3
357.10516	0.6
358.06531	0.6
505.26172	0.5
549.10724	0.5
741.14722	5.8
742.15558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
60.01590	0.1
61.01655	0.1
61.64948	0.1
61.98716	100.0
62.98411	0.1
62.99141	0.1
70.51552	0.1
71.01273	0.4
71.09141	0.1
71.09505	0.2
73.02839	0.1
78.95807	0.1
85.02843	0.1
89.02323	0.5
90.02661	0.1
97.02905	0.1
101.02333	0.4
102.02694	0.1
113.02357	0.1
119.03424	0.1
125.02391	0.1
125.22397	0.1
163.11353	0.1
209.11812	1.0
210.12175	0.4
210.84129	0.1
211.13475	0.1
225.75536	0.1
227.12877	0.1
228.13367	0.1
235.08209	0.1
253.09402	0.2
275.20297	0.1
277.21939	0.1
279.23303	0.4
280.23676	0.7
281.24075	0.3
282.24377	0.1
293.21271	0.3
294.21713	0.2
295.22726	0.1
397.13614	0.2
398.13889	0.4
399.14026	0.7
400.14474	0.5
416.14801	0.1
417.15286	0.2
418.15399	0.1
501.46213	0.1
530.44177	0.1
586.03265	0.1
680.38452	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03324	1.4
58.00476	0.9
59.01265	13.4
59.04889	0.7
61.98712	1.6
69.03342	1.4
69.46275	4.6
69.46688	1.3
71.00913	0.8
71.01275	10.0
71.04896	2.8
72.50573	0.6
72.99174	0.9
73.02821	1.2
78.04501	0.6
83.01266	1.4
83.04913	1.6
85.02843	3.1
87.00756	1.3
88.98684	1.1
89.02338	7.6
95.01313	0.6
97.02860	6.0
97.06464	3.1
99.00781	20.4
101.02338	7.8
109.06501	2.2
110.03665	1.1
113.02376	4.5
119.03427	1.3
123.08073	0.8
125.02348	1.6
125.09647	6.6
127.11138	0.9
129.17538	0.7
131.03409	0.8
142.02596	1.1
143.03397	1.0
153.12761	0.8
161.04462	1.4
162.90454	0.8
163.11232	10.1
171.10246	5.6
179.05598	0.9
181.10825	1.2
181.12318	21.3
197.11726	0.8
199.13388	14.9
207.10251	31.9
208.10600	2.1
225.11325	51.8
226.11710	1.7
235.08232	2.7
243.12411	26.0
243.14337	0.5
244.12662	1.7
253.09332	1.9
275.20068	0.7
277.21783	22.9
278.22070	2.1
281.24896	15.0
282.25137	1.0
287.07690	0.7
287.95200	0.7
317.16107	1.1
397.13620	18.6
398.13849	1.9
415.14429	5.6
451.48529	0.8
461.20361	3.4
479.21497	8.4
480.21768	0.9
516.13263	0.7
532.47003	0.8
617.80652	0.8
679.39111	0.8
721.41138	1.5
739.42871	100.0
740.43335	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	739.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03329	2.2
59.01265	7.1
61.98728	0.5
65.64347	0.4
69.03326	0.8
71.01266	7.1
71.04907	3.9
71.53130	0.8
72.99184	0.5
73.02834	1.1
78.95789	1.0
79.95634	1.0
83.01271	1.0
83.04929	1.1
85.02854	2.3
87.00770	2.1
89.02341	3.0
95.01270	1.1
95.04926	1.1
96.95913	17.7
97.02858	3.4
97.06489	3.8
99.00780	17.2
99.01304	0.3
99.01440	0.6
101.02351	4.8
106.04169	0.5
109.06487	1.5
110.03638	0.8
111.66666	0.4
113.02352	2.6
119.03447	0.6
120.18088	0.6
121.02848	0.4
122.49474	0.4
123.08065	2.1
125.02392	1.1
125.09634	9.1
133.43587	0.4
135.08061	1.1
135.42876	0.5
136.05203	0.7
142.02667	0.9
145.04916	0.8
153.12706	0.9
161.04576	1.2
161.09735	0.5
163.11244	12.2
164.11569	0.6
166.12456	0.4
171.10214	4.2
179.05554	0.6
181.12308	18.8
182.12624	0.9
197.11757	0.7
199.13400	7.2
201.11322	1.1
207.10249	22.5
208.10602	1.6
225.11314	28.8
226.11647	1.5
235.08220	1.5
243.12401	11.7
244.12833	0.5
253.09325	2.8
276.26813	0.4
277.21783	40.8
278.22067	3.4
281.24924	6.4
282.25403	0.5
289.07108	0.6
299.15015	0.6
305.09006	0.5
397.13620	8.3
415.14575	2.6
461.20648	2.4
468.71857	0.5
479.21246	3.1
739.42908	100.0
740.43219	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	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03332	1.2
59.01001	1.1
59.01268	12.1
61.98719	42.4
68.50544	0.7
71.01276	9.4
71.04903	1.4
71.62540	1.3
72.99197	1.2
73.02821	1.5
80.02548	1.1
81.03358	1.0
83.01250	1.1
83.04901	3.6
83.28831	0.7
84.30991	0.7
85.02836	2.6
87.00776	3.4
88.00299	1.0
89.02343	6.3
92.80336	0.7
95.01261	1.3
97.06487	1.2
101.02344	7.0
111.08066	1.8
113.02390	4.3
119.03431	1.5
122.44038	0.8
125.02315	1.2
133.05022	0.8
161.04524	2.3
163.11230	3.3
165.12801	11.0
166.13110	1.2
179.05573	1.1
183.13881	84.5
184.14200	4.5
191.10744	1.9
195.13879	7.1
209.11832	83.1
210.12154	4.8
211.13350	1.0
217.13599	0.8
219.97855	1.3
223.13428	6.7
227.12900	15.9
228.13416	1.2
235.08235	3.3
235.17059	6.3
253.09319	14.6
256.88120	0.8
275.20251	13.4
276.20490	1.1
279.23407	2.7
280.23688	2.1
281.23965	1.3
293.21313	77.6
294.21588	6.1
313.11679	0.8
397.13647	2.8
398.13858	1.9
399.14041	2.3
419.22675	0.9
445.20749	2.6
463.21832	4.0
538.81244	1.0
739.42914	100.0
740.43243	19.0
754.92493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41786	0.5
57.03342	0.8
58.88888	0.4
59.01265	5.8
61.98713	2.9
63.58505	0.5
71.01276	4.4
71.04906	2.0
71.59438	0.5
71.59887	0.9
73.02833	0.9
80.02566	1.1
81.03342	0.9
83.01249	0.8
83.04910	4.0
84.02045	0.5
85.02833	1.0
87.00755	1.3
89.02328	2.2
95.04933	0.5
96.95953	0.6
97.02905	0.6
97.06484	0.5
101.02337	3.5
109.78309	0.4
111.08045	0.8
113.02356	1.8
118.94682	0.5
119.03389	0.6
121.21233	0.6
129.65157	0.5
135.08098	1.0
137.21434	0.5
158.06212	0.5
161.04492	2.5
163.11282	3.1
165.12814	3.3
181.12415	0.5
183.13866	8.8
189.76129	0.5
191.10800	0.9
197.11835	0.9
209.11807	100.0
210.12166	5.2
211.13358	6.1
221.15413	0.8
223.17056	1.7
227.12877	13.8
228.13176	1.0
231.21181	2.0
235.08232	5.2
235.17043	20.2
236.17403	2.2
253.09302	12.7
275.20187	22.8
276.20517	1.6
291.19757	1.0
293.21280	77.7
294.21613	6.5
306.39145	0.5
309.20944	2.6
320.77316	0.5
351.99323	0.6
445.20633	0.8
551.90424	0.5
565.57758	0.6
739.42853	11.5
740.43433	3.5
758.54205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
59.01263	4.9
61.98717	34.9
66.58840	0.3
70.00096	1.8
71.01261	2.1
72.99185	0.3
80.02551	1.0
81.03356	0.7
83.01302	0.5
83.04919	3.8
84.02070	0.6
85.02846	0.5
87.00763	0.5
89.02361	1.6
95.04901	0.5
96.95926	0.4
97.02882	0.5
101.02346	2.7
102.55840	0.4
106.54581	0.3
107.70207	0.3
109.06520	0.3
111.54371	0.4
113.02353	1.2
119.03432	0.3
125.02380	0.6
125.06039	0.5
125.09644	0.3
129.18434	0.3
141.01637	2.7
145.04973	0.4
161.04495	1.1
163.11244	3.1
165.12805	2.3
171.10225	1.4
173.99199	0.4
179.05588	0.4
181.12312	0.6
191.10797	0.5
195.13846	2.7
205.12518	0.4
208.81493	0.3
209.11819	100.0
210.12161	5.6
211.13461	0.6
223.13443	1.8
227.12897	11.1
228.13373	0.7
235.08266	2.9
235.17027	1.7
243.85953	0.4
253.06709	0.8
253.09329	10.1
254.09674	0.4
256.13202	0.4
265.93658	0.3
275.20178	5.6
276.20450	0.6
293.21292	36.0
294.21680	3.6
383.12952	0.3
402.18088	0.4
445.20740	1.7
698.93774	0.4
738.51550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01267	4.5
61.46623	0.4
61.98719	22.2
69.47198	1.4
69.47624	1.6
71.01271	3.6
73.02853	0.6
78.22501	0.3
80.02569	0.9
81.03338	0.9
83.01279	0.6
83.04922	3.0
84.02060	0.9
84.83286	0.4
85.02858	1.2
87.00764	1.0
89.02333	2.4
95.04915	0.5
96.95910	0.8
97.02866	0.4
101.02354	3.4
109.06441	0.3
113.02340	1.9
119.03427	0.9
135.08076	0.7
145.05003	0.5
161.04518	1.2
163.11244	3.1
165.12799	2.1
171.10207	1.1
179.05569	0.8
179.14413	0.5
181.12288	0.6
191.10739	0.8
195.13918	6.5
196.14560	0.8
205.12360	0.4
209.11824	100.0
210.12152	6.1
211.13405	1.1
223.13397	5.3
227.12883	12.1
228.13373	1.1
231.21227	0.6
235.08295	2.2
235.17030	1.5
253.09323	17.6
254.09706	0.8
254.36874	0.4
256.13126	0.8
275.20224	10.7
276.20490	0.5
280.11407	0.4
293.21301	86.3
294.21622	7.4
309.20905	0.5
445.20795	1.0
485.32971	0.6
529.30981	0.8
543.94995	0.3
670.35889	0.4
700.68292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04045	0.6
57.03347	0.6
59.01262	6.8
61.68910	0.5
61.98714	2.5
69.50581	0.5
70.78602	1.6
71.01280	5.1
71.04913	2.0
73.02838	1.1
80.02600	0.8
81.03349	1.4
82.10603	0.5
83.01285	0.8
83.04918	4.5
83.25830	0.5
84.02101	0.6
85.02833	1.4
87.00778	1.5
89.02347	3.0
96.96002	0.6
97.06462	0.7
98.19951	0.5
99.48520	0.7
101.02348	4.3
113.02337	1.9
119.03442	0.9
119.77834	0.6
161.04520	1.9
163.11205	3.0
164.31732	0.5
165.12807	4.1
177.16458	0.8
179.05611	0.9
181.12309	0.6
183.13863	14.4
191.10817	0.8
197.11720	1.1
209.11816	100.0
210.12158	5.7
211.13399	6.8
221.15521	0.9
223.16962	1.3
227.12898	14.2
231.21124	1.6
232.55132	0.6
235.08267	4.0
235.17049	21.9
236.17358	1.3
253.09326	14.5
275.20221	26.0
276.20584	1.7
279.23404	0.6
293.21295	81.6
294.21649	6.3
309.20804	2.2
398.60431	0.6
445.20786	1.7
584.86523	0.7
597.99554	0.5
739.42847	20.4
740.43524	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	739.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03334	1.3
58.00468	1.1
59.01265	33.5
59.99229	0.4
61.98699	0.5
69.03331	2.0
69.97087	0.5
71.01270	23.6
71.05647	1.1
72.99210	1.6
73.02839	4.3
81.03342	0.8
83.01264	3.0
85.02839	6.2
87.00777	5.3
89.02337	20.8
93.03348	0.6
95.01270	1.8
97.02856	4.4
99.00779	1.6
101.02348	20.3
111.00747	0.5
111.04443	1.1
113.02357	9.4
119.03404	6.4
123.04416	0.6
125.02359	8.8
127.11401	0.6
133.04997	0.7
139.03944	1.2
143.03481	2.8
149.04453	0.9
161.04492	4.0
171.10205	4.2
179.05576	4.1
183.13783	1.3
207.10210	0.8
217.07190	0.6
221.06651	1.8
225.11307	1.9
235.08241	11.0
236.08412	0.7
253.09344	2.2
259.74295	0.6
277.21750	6.4
281.24915	79.6
282.04889	0.5
282.25226	6.9
287.05020	0.6
287.07803	3.0
293.21207	0.7
305.08920	3.7
323.09885	1.5
380.19418	0.6
397.13568	100.0
398.13995	7.2
415.14655	31.1
415.18948	0.5
416.14948	2.7
433.32355	0.6
473.15540	0.5
492.46841	0.5
679.39478	4.2
680.39423	1.0
739.42822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.6
60.01590	0.1
61.98716	100.0
62.98420	0.1
62.99150	0.1
71.01273	0.5
71.15081	0.1
71.15446	0.1
72.01604	0.1
80.91944	0.1
85.02872	0.1
87.00795	0.1
89.02330	0.4
90.02717	0.1
91.02782	0.1
94.36302	0.0
101.02350	0.4
102.02691	0.1
113.02381	0.2
119.03454	0.1
125.02417	0.1
125.08140	0.1
152.11015	0.1
161.04602	0.1
179.05606	0.1
203.73672	0.0
209.11911	0.2
222.68098	0.1
235.08443	0.1
236.08781	0.1
253.09377	0.1
277.21814	0.6
278.22104	0.7
279.22409	0.4
280.22748	0.1
293.21503	0.2
299.41742	0.1
397.13718	0.4
398.13947	0.7
399.14117	1.0
399.19070	0.1
400.14407	0.4
406.36856	0.0
415.14932	0.2
416.15045	0.3
417.15240	0.4
418.15262	0.1
634.33661	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03340	1.6
58.00473	1.5
59.01265	28.1
61.98724	1.1
67.62839	0.7
69.03333	2.3
70.75994	1.2
70.76358	1.3
71.01269	27.2
72.99182	2.4
73.02837	4.1
75.00761	0.7
81.03336	1.1
83.01278	2.7
85.02838	6.2
87.00771	6.2
89.02336	20.3
95.01287	1.6
97.02860	4.5
99.00782	2.3
101.02341	22.4
111.04448	1.0
113.02351	9.0
119.03400	6.4
121.02872	0.8
124.01590	0.7
125.02364	9.0
131.03471	1.4
139.03880	0.7
141.01892	0.8
143.03432	3.5
143.74309	0.7
149.04457	0.8
161.04523	4.2
171.10242	6.7
179.05534	4.7
201.11327	1.4
207.10229	2.1
221.06610	1.4
225.11334	5.3
235.08266	11.2
243.12636	0.8
253.09343	3.9
277.09338	1.0
277.21783	10.6
281.24915	79.1
282.25293	7.3
287.07791	3.4
305.08881	4.3
323.09943	0.8
379.12592	0.9
397.13571	100.0
398.13925	8.7
415.14645	31.4
416.14948	2.7
443.18649	0.7
461.20593	1.0
679.38971	4.0
739.42651	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	737.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	0.2
59.01263	13.2
60.01609	0.1
68.40823	0.1
80.04957	0.2
81.03347	3.5
82.88303	0.1
83.04913	10.9
84.05269	0.3
100.07578	0.2
107.06046	0.2
108.04451	0.3
125.07133	0.7
126.05552	0.3
138.93024	0.1
139.55069	0.1
143.08199	0.3
145.57448	0.1
148.15961	0.1
172.14851	0.1
175.27628	0.1
204.63591	0.1
207.14975	0.9
222.16090	0.1
224.17694	1.7
225.16084	10.8
226.16470	0.7
242.18712	0.5
250.15588	0.2
268.16855	0.1
291.20599	0.1
297.92426	0.1
309.21857	0.6
310.21930	0.1
313.22256	0.1
324.26608	0.5
333.23251	0.5
339.27737	0.2
341.29211	0.8
350.24600	0.2
351.24136	0.1
367.27118	1.2
385.28107	0.3
433.31927	0.9
450.34689	1.1
451.32977	7.2
452.33279	0.9
533.40387	0.1
535.39020	0.1
550.43622	0.7
551.43597	0.2
559.39905	0.3
565.44580	0.3
571.66406	0.1
593.44061	0.4
641.48810	0.1
659.48602	1.8
660.49170	0.5
677.49811	100.0
678.50134	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	738.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17375	0.1
52.17617	0.1
59.01261	0.8
59.71259	0.1
60.01598	0.1
61.98716	100.0
62.98419	0.2
65.65592	0.0
71.01274	0.5
72.01616	0.1
73.02847	0.1
85.02870	0.1
87.00780	0.1
89.02330	0.4
97.02851	0.1
101.02347	0.4
102.02716	0.1
112.88541	0.1
113.02355	0.3
114.02726	0.1
119.03423	0.1
125.02367	0.2
135.04445	0.0
143.03432	0.1
163.04912	0.1
179.05688	0.1
209.11934	0.2
227.33759	0.1
235.08290	0.2
236.08694	0.1
237.08807	0.1
275.20239	0.1
277.21765	0.6
278.22125	0.8
279.22461	0.4
280.22598	0.1
340.67673	0.1
397.13666	0.5
398.13925	0.8
399.14047	1.0
400.14273	0.4
415.15079	0.1
416.15182	0.2
417.15219	0.4
418.15579	0.1
435.19281	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01261	10.9
61.98706	6.6
69.43503	14.6
70.86065	1.5
71.01275	12.7
72.99194	6.0
75.00751	12.2
78.76180	1.5
85.02853	15.6
87.00766	5.3
88.98682	1.9
89.02322	2.8
95.01259	3.2
99.00772	9.5
111.18858	1.7
113.02360	10.7
128.79924	1.6
165.12759	5.1
183.13881	75.8
184.14267	2.3
227.12959	4.4
238.98238	2.2
277.21793	27.8
278.22183	2.8
675.41284	6.3
676.41162	2.6
719.41388	3.1
737.41394	100.0
738.41486	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	736.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.6
61.98720	100.0
62.98425	0.1
66.49482	0.1
71.01295	0.1
71.62560	0.1
85.02874	0.1
96.95928	0.1
113.02385	0.1
125.02424	0.1
148.82489	0.1
149.55226	0.1
209.11852	0.3
210.12265	0.2
211.12340	0.1
237.62213	0.1
337.10638	0.1
400.40720	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60595	0.6
57.03333	0.8
59.01265	13.4
60.83206	0.7
61.98728	4.9
63.96103	1.9
69.03358	1.0
69.42316	3.3
69.42738	3.1
71.01269	11.2
73.02833	3.2
74.78362	0.7
77.61126	0.7
78.98483	7.9
79.95622	12.6
80.96411	85.1
83.01266	1.1
85.02855	3.8
87.00782	4.2
89.04465	0.7
94.97985	18.4
96.95911	12.5
96.96842	0.9
97.02876	1.8
98.19810	1.0
98.64869	0.7
101.02358	5.5
106.97981	4.2
113.02350	2.5
122.97523	3.9
125.02346	4.5
132.62666	0.8
134.97516	5.5
136.99057	2.2
141.01558	1.1
148.99095	7.7
152.98584	7.3
157.33769	0.7
158.08437	0.8
161.04488	0.9
164.98593	16.3
165.12820	1.3
183.13867	7.9
191.27275	0.7
206.99652	3.1
217.07664	0.7
225.00758	31.1
226.01031	1.0
314.11700	0.8
327.21814	1.0
345.40567	0.9
509.17096	3.5
518.54944	0.8
633.39966	0.8
693.41821	3.1
737.30707	100.0
738.31036	18.4
738.44086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
58.87271	0.3
59.01267	2.7
61.98725	0.5
63.96125	1.1
69.03328	0.6
70.75533	0.8
71.01268	8.2
73.02835	2.2
78.98481	6.1
79.95254	0.2
79.95622	11.3
80.96408	72.5
81.03339	1.1
83.01290	0.4
85.02839	2.4
87.00776	2.4
94.74193	0.3
94.97980	15.5
96.95908	2.2
97.02866	1.6
99.00768	1.0
101.02338	3.1
106.97997	3.2
113.02369	1.0
122.97495	3.9
125.02361	3.2
127.03908	0.8
134.97508	4.8
136.99109	1.9
143.03401	0.4
148.11125	0.4
148.99072	6.6
150.89250	0.3
151.67137	0.2
152.98578	6.7
164.98576	15.2
165.12801	1.0
167.00139	0.5
179.00220	0.3
183.13870	8.1
184.14232	0.4
188.98669	0.5
196.04037	0.3
206.99640	3.4
219.69888	0.3
225.00737	27.2
226.00999	0.9
227.12866	0.8
246.25911	0.3
255.10284	0.7
283.09714	0.4
299.30600	0.3
362.43732	0.4
509.17264	4.2
510.17010	0.9
719.43323	0.3
727.48041	0.4
737.30743	100.0
738.30988	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	735.4346
Annotation	Nonactin
Peak:m/z	Relative Intensity
54.56537	0.3
54.68898	0.3
55.01761	0.3
57.03326	1.1
59.01263	5.8
69.03355	0.5
71.01266	4.7
71.12101	0.4
71.12434	0.6
71.78304	0.2
72.99177	0.3
73.02839	1.5
80.52126	0.3
81.03358	0.5
83.01266	0.4
83.04923	0.8
85.02804	1.4
87.00746	1.6
89.02337	2.0
95.01292	0.4
95.04932	1.3
97.02838	0.4
97.06496	1.5
99.00774	0.5
101.02334	4.3
106.04153	0.3
109.06505	0.3
111.08055	0.5
113.02343	2.8
119.03413	0.6
121.10130	0.5
126.59052	0.3
130.29926	0.3
131.47064	0.3
136.39444	0.3
138.03043	0.4
143.03499	0.5
145.04994	0.9
159.11754	2.3
161.04497	1.2
163.86548	0.3
175.11275	0.7
177.12807	17.4
178.13174	1.0
179.05554	0.5
195.13879	51.6
196.14258	2.8
221.11838	3.5
235.08266	2.4
239.12894	4.5
240.13559	0.3
249.99918	0.3
253.09286	3.9
259.20776	0.6
275.20157	0.4
277.21771	75.3
278.22116	5.9
297.14740	0.3
457.21094	2.0
457.33441	0.6
475.22058	2.5
476.22241	0.4
513.30762	0.4
700.52466	0.3
735.43414	100.0
736.43762	22.4
748.94659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62910	0.2
57.03327	0.4
59.01276	0.4
61.93965	0.2
61.98716	0.3
69.03345	0.2
70.70264	0.3
70.70648	0.3
71.01316	0.2
85.02876	0.2
92.86622	0.2
96.95879	0.2
111.08064	0.8
122.58579	0.2
147.28455	0.2
165.12801	19.1
166.13170	1.0
183.13870	84.4
184.14212	4.1
209.11829	1.5
225.06053	0.1
227.12891	100.0
228.13226	5.3
341.38892	0.2
361.16559	0.3
419.45605	0.2
558.24152	0.2
562.87177	0.2
614.79913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
57.06709	0.4
59.01266	9.6
62.47612	0.4
70.23657	1.5
70.24070	1.0
71.01265	6.2
72.99195	0.7
73.02839	0.5
77.47016	0.5
78.95784	0.5
81.03334	0.6
83.01270	0.8
83.04925	0.9
83.60812	0.5
85.02850	1.6
87.00797	1.0
89.02339	3.9
95.01274	0.8
95.04925	0.9
97.06469	0.9
101.02366	4.4
105.40575	0.5
107.04905	0.5
108.43522	0.4
112.98779	0.5
113.02359	1.7
119.03389	0.9
128.09602	0.5
143.03435	0.5
159.11765	1.1
161.04520	0.9
177.12808	12.5
178.13065	0.4
184.21353	0.5
195.13884	100.0
196.14215	6.2
196.37927	0.5
203.10751	1.4
221.11858	2.9
235.08307	1.9
239.12912	7.7
253.09328	3.1
277.21790	31.3
278.22049	3.1
431.23126	0.6
457.20844	2.0
475.21906	5.5
735.43427	88.1
736.43799	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	731.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.7
58.00481	2.1
59.01266	30.2
60.01596	0.6
61.98739	0.5
69.03360	0.7
70.29359	1.1
70.29755	1.4
70.87183	0.7
71.01270	9.1
72.99194	1.7
73.02853	4.5
75.00757	0.8
77.47446	0.5
83.01271	0.8
84.32416	0.6
85.02846	6.7
87.00784	1.7
89.02348	6.2
93.03368	5.3
95.01305	0.7
96.95887	0.7
97.02892	0.7
98.20518	0.7
99.00813	0.6
101.02346	6.3
103.03909	5.2
105.40754	0.6
108.02093	1.9
109.02834	3.7
119.03418	2.7
121.02882	11.0
122.03666	15.5
123.00734	0.8
123.04408	1.8
124.01632	0.6
132.02092	1.8
133.02884	4.8
134.03685	8.3
135.04460	5.0
135.08087	0.9
136.01624	2.1
136.04840	0.5
137.02393	3.1
138.03151	1.4
139.03944	0.9
145.02866	1.4
145.05013	1.0
146.03668	0.8
147.04443	2.6
149.02394	30.2
149.06018	10.3
150.03172	100.0
151.03529	4.7
152.04733	1.3
153.01817	0.8
153.05539	1.5
154.02800	0.8
155.77531	0.6
158.03581	0.6
159.04495	1.3
161.02370	1.5
162.03186	1.6
163.03960	3.8
163.06061	3.4
164.04761	6.5
165.05528	73.7
166.02733	0.7
166.05852	4.0
173.06088	2.8
175.03935	3.1
176.04623	1.4
177.01915	0.7
177.05537	3.6
179.03490	1.0
179.07126	0.7
180.04253	6.2
181.04996	1.2
185.06075	0.8
187.04019	2.8
188.04738	1.1
189.05553	0.8
189.09181	0.7
190.06305	3.0
191.07138	1.7
193.04991	0.9
194.05865	1.8
195.06618	32.0
196.06990	1.2
202.06319	1.7
203.07143	1.2
204.04262	1.0
205.05046	5.1
205.08693	1.2
206.05693	0.7
207.06593	1.5
208.07426	0.8
217.08702	1.4
218.05902	0.7
219.06662	2.0
220.07404	5.5
235.09834	3.6
255.06683	0.9
283.09839	1.4
291.06689	0.6
294.09045	0.7
295.10263	0.6
297.08182	0.8
297.11380	1.3
311.09351	3.3
312.09763	0.8
325.10706	0.7
326.11688	3.8
327.12329	0.8
340.09589	1.0
341.10355	2.0
341.14044	3.8
342.10706	0.7
345.13556	2.1
353.14014	1.3
355.11960	1.6
356.12869	3.0
358.14236	1.1
359.15039	1.8
371.15076	25.8
372.15442	3.3
373.12521	0.9
374.14008	0.7
397.15231	1.2
461.17053	0.6
473.27512	0.6
507.20383	3.0
507.95435	0.6
508.20761	0.9
519.20715	1.3
522.19159	0.9
535.21985	21.3
536.22296	2.6
537.21442	7.4
538.21710	1.1
589.22845	1.4
599.21185	1.1
656.28394	0.6
683.27252	89.9
684.27667	20.6
731.29431	22.1
731.39386	0.6
732.29413	5.0
745.41962	0.6
761.40149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.7
58.00481	2.1
59.01266	30.2
60.01596	0.6
61.98739	0.5
69.03360	0.7
70.29359	1.1
70.29755	1.4
70.87183	0.7
71.01270	9.1
72.99194	1.7
73.02853	4.5
75.00757	0.8
77.47446	0.5
83.01271	0.8
84.32416	0.6
85.02846	6.7
87.00784	1.7
89.02348	6.2
93.03368	5.3
95.01305	0.7
96.95887	0.7
97.02892	0.7
98.20518	0.7
99.00813	0.6
101.02346	6.3
103.03909	5.2
105.40754	0.6
108.02093	1.9
109.02834	3.7
119.03418	2.7
121.02882	11.0
122.03666	15.5
123.00734	0.8
123.04408	1.8
124.01632	0.6
132.02092	1.8
133.02884	4.8
134.03685	8.3
135.04460	5.0
135.08087	0.9
136.01624	2.1
136.04840	0.5
137.02393	3.1
138.03151	1.4
139.03944	0.9
145.02866	1.4
145.05013	1.0
146.03668	0.8
147.04443	2.6
149.02394	30.2
149.06018	10.3
150.03172	100.0
151.03529	4.7
152.04733	1.3
153.01817	0.8
153.05539	1.5
154.02800	0.8
155.77531	0.6
158.03581	0.6
159.04495	1.3
161.02370	1.5
162.03186	1.6
163.03960	3.8
163.06061	3.4
164.04761	6.5
165.05528	73.7
166.02733	0.7
166.05852	4.0
173.06088	2.8
175.03935	3.1
176.04623	1.4
177.01915	0.7
177.05537	3.6
179.03490	1.0
179.07126	0.7
180.04253	6.2
181.04996	1.2
185.06075	0.8
187.04019	2.8
188.04738	1.1
189.05553	0.8
189.09181	0.7
190.06305	3.0
191.07138	1.7
193.04991	0.9
194.05865	1.8
195.06618	32.0
196.06990	1.2
202.06319	1.7
203.07143	1.2
204.04262	1.0
205.05046	5.1
205.08693	1.2
206.05693	0.7
207.06593	1.5
208.07426	0.8
217.08702	1.4
218.05902	0.7
219.06662	2.0
220.07404	5.5
235.09834	3.6
255.06683	0.9
283.09839	1.4
291.06689	0.6
294.09045	0.7
295.10263	0.6
297.08182	0.8
297.11380	1.3
311.09351	3.3
312.09763	0.8
325.10706	0.7
326.11688	3.8
327.12329	0.8
340.09589	1.0
341.10355	2.0
341.14044	3.8
342.10706	0.7
345.13556	2.1
353.14014	1.3
355.11960	1.6
356.12869	3.0
358.14236	1.1
359.15039	1.8
371.15076	25.8
372.15442	3.3
373.12521	0.9
374.14008	0.7
397.15231	1.2
461.17053	0.6
473.27512	0.6
507.20383	3.0
507.95435	0.6
508.20761	0.9
519.20715	1.3
522.19159	0.9
535.21985	21.3
536.22296	2.6
537.21442	7.4
538.21710	1.1
589.22845	1.4
599.21185	1.1
656.28394	0.6
683.27252	89.9
684.27667	20.6
731.29431	22.1
731.39386	0.6
732.29413	5.0
745.41962	0.6
761.40149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.7
59.01264	8.7
61.98712	2.7
64.99911	0.6
65.00196	3.0
71.01278	1.8
71.52663	1.1
73.02840	0.8
79.20973	0.6
83.01281	2.7
85.02850	1.4
89.02336	0.6
96.95932	1.4
99.00816	0.5
99.12308	0.5
101.02339	1.5
103.05444	0.8
105.03358	0.8
107.01310	4.2
108.02078	0.5
113.02335	1.2
121.02855	1.8
123.04440	1.8
125.02362	12.1
126.24807	0.5
133.02881	1.1
135.04462	1.1
135.08083	1.2
137.02422	0.7
145.02896	0.9
147.04478	2.9
149.02394	2.9
149.06041	0.8
149.99515	0.5
151.00325	9.8
151.03885	0.7
151.07574	0.9
159.04413	1.0
161.02351	1.4
161.06047	0.7
163.04062	0.5
165.01839	0.7
167.03447	0.9
173.02492	0.8
174.03194	0.5
175.03966	0.6
176.01093	1.3
177.01904	5.3
185.02441	0.9
187.03979	0.5
189.01942	0.8
190.02695	9.8
191.03467	38.3
192.00624	1.8
192.03793	1.9
193.01404	2.6
198.03220	1.1
199.04092	0.9
201.01927	0.7
201.05539	5.5
203.03438	1.9
205.04980	0.6
215.03456	0.9
216.00717	0.8
217.01495	2.9
225.05592	0.9
227.03596	0.8
229.01431	11.5
230.02138	4.0
231.02931	2.0
239.07198	1.8
249.05655	0.5
250.06290	1.4
251.03725	0.5
253.04823	0.6
261.05713	0.9
267.50775	0.5
273.09094	0.5
277.05139	1.2
279.06491	1.0
281.08249	1.0
287.06906	1.0
289.05151	1.2
290.05856	0.6
290.09567	0.6
291.07004	1.0
291.10303	3.5
292.07535	0.6
293.04800	0.8
299.07214	0.7
301.05319	0.6
301.08710	1.4
302.05923	0.7
303.03293	0.5
303.06784	1.2
303.10156	0.6
304.03925	0.7
304.07245	0.8
305.04630	1.3
305.08151	0.7
306.05377	1.0
307.06219	1.6
308.06873	1.0
315.06531	0.5
315.18137	0.5
316.07507	0.5
317.04688	1.5
317.08246	1.3
318.05051	0.8
319.02704	0.9
319.06308	1.5
319.09790	18.4
320.06897	0.8
320.10306	2.8
323.18646	1.3
327.06433	0.7
328.07306	0.9
329.04547	0.8
329.08319	1.0
330.05408	1.2
330.09042	1.4
331.06171	1.2
331.09845	1.4
332.03110	0.7
332.06909	1.0
333.04123	3.4
333.07599	1.0
334.04800	1.8
335.05615	3.6
335.08984	4.0
336.09903	1.2
337.10883	68.4
338.11267	8.1
341.04639	1.4
343.06155	0.8
343.09976	0.7
345.03973	0.7
346.04489	0.8
346.08453	0.7
347.05551	1.5
347.09302	1.3
348.06439	5.0
349.07214	4.7
349.10892	0.9
350.04431	1.4
351.05371	0.6
353.08737	1.6
355.06308	1.8
356.06967	1.1
357.07788	2.5
358.08557	3.2
359.01846	1.1
359.05728	1.2
360.06299	0.6
361.07098	1.0
363.05511	0.7
368.06750	0.8
369.11383	0.8
371.09265	1.3
372.06226	1.7
373.07193	2.1
374.07721	1.4
375.08820	24.0
376.09174	3.6
381.07532	3.0
382.08493	1.0
389.10632	4.8
390.07254	3.7
391.08313	17.3
392.08054	4.3
393.08347	9.8
394.08624	1.0
397.11014	6.9
398.11230	1.5
400.05759	0.8
413.10300	0.9
415.12192	3.3
441.09763	1.5
481.05560	0.8
481.31558	1.0
493.05750	1.1
507.07635	1.2
508.08029	2.1
525.08203	1.5
526.08954	1.7
533.08917	2.0
534.09094	0.8
539.12488	0.7
549.12024	9.0
550.12476	0.9
553.13550	1.5
567.13080	100.0
568.13458	17.8
609.38165	0.6
669.12921	0.7
685.37872	1.2
711.17499	3.3
712.17938	0.9
729.18396	70.1
730.18683	18.0
744.07672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01264	4.0
61.98708	1.6
63.02283	2.8
65.00202	4.2
71.01256	1.7
71.52802	0.9
83.01289	3.1
85.02872	0.5
93.03342	1.6
95.01270	1.5
96.95911	0.8
97.92670	0.6
101.02310	1.0
105.99200	0.4
107.01295	7.3
109.02853	0.8
110.29228	0.5
111.00772	0.5
116.69643	0.5
117.03351	0.6
121.02853	1.2
124.01636	0.6
125.02387	5.5
126.02570	0.5
133.02827	0.8
137.02367	3.0
149.02330	1.3
149.05994	0.6
151.00310	21.5
152.00841	0.7
159.04456	2.4
161.02399	1.6
163.00238	0.8
163.03949	1.1
165.01965	0.6
167.03474	0.5
169.01355	2.8
173.06055	0.5
177.01886	2.9
178.99831	22.0
179.03345	1.1
180.00108	0.7
187.03976	1.6
189.01936	0.6
192.00496	0.6
193.01419	8.4
194.01733	0.8
198.03154	0.6
199.03951	0.9
201.01831	0.9
201.05539	1.2
203.03520	2.9
205.01402	28.5
206.01793	1.6
207.02950	1.1
214.02737	0.5
215.03456	0.5
219.02962	1.1
225.05566	0.7
227.07195	1.3
229.01395	1.6
230.02051	0.5
231.03003	32.4
232.03336	2.7
233.00853	1.9
243.03004	0.9
245.01073	0.9
247.02519	0.7
248.04974	0.6
249.05571	0.7
251.24112	0.6
255.06659	0.7
257.04581	1.2
259.07315	0.5
264.04376	1.3
265.05042	1.7
266.05710	0.9
269.04596	1.1
275.07193	0.7
277.05072	1.4
277.08533	0.5
278.09433	0.9
280.04019	1.1
280.07318	0.5
281.08008	0.7
287.07291	0.6
289.05020	1.0
291.03174	0.7
291.06607	0.8
293.04565	2.1
295.06155	1.4
301.05157	3.6
302.05682	1.1
303.03156	1.1
303.06619	1.5
304.03873	1.2
304.07465	0.9
305.04568	4.4
305.07971	1.0
306.09079	1.4
309.07736	1.0
316.07571	0.5
317.04593	3.1
317.08112	1.0
318.05280	0.7
319.02628	0.9
319.06168	4.6
319.09860	2.9
320.03281	1.2
320.06772	1.8
321.04022	1.8
321.07791	1.6
329.04578	3.4
330.05353	1.3
331.06079	1.5
332.03333	1.1
332.06735	0.7
333.04150	22.7
333.07755	3.6
334.04608	4.6
334.08447	1.6
335.05658	1.8
335.09354	5.7
336.06381	4.8
336.09894	0.8
337.10855	9.4
338.11469	1.0
341.04425	0.6
341.08331	1.2
342.05466	0.7
343.06064	2.1
343.09705	0.9
344.06799	1.0
345.03976	0.8
345.07797	0.9
346.04828	1.7
347.05640	14.1
348.02591	0.6
348.06442	6.4
349.07083	1.5
355.06024	1.3
356.06812	0.8
357.07663	1.5
357.11435	0.8
359.05557	1.3
359.09296	1.4
361.07126	3.5
362.08032	8.6
363.08533	0.8
366.04004	0.8
367.09906	0.9
369.07642	2.2
370.08527	1.6
371.05310	0.8
371.09351	1.9
372.06305	1.5
372.10330	1.0
373.06955	1.0
373.11218	0.7
375.08759	2.7
377.10355	7.8
378.10617	0.7
383.09509	1.2
385.10947	3.8
387.08759	1.3
388.09650	1.3
389.10483	24.0
390.10767	3.4
391.11975	0.8
393.06290	1.5
395.09372	1.2
401.10394	0.8
403.11960	9.2
404.12271	1.4
407.07834	8.7
408.08328	1.0
411.08862	1.0
413.10458	6.6
414.10681	1.0
429.09845	1.1
439.08325	2.1
457.09448	0.7
483.03638	0.7
521.05359	1.7
523.07513	0.6
524.07574	5.5
525.08032	0.8
535.06836	1.7
547.10669	2.5
548.10999	0.6
565.11517	65.0
566.11902	10.4
583.12592	100.0
584.12915	20.1
712.17017	0.8
729.18439	23.1
730.18616	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	727.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
57.03331	16.3
57.96741	1.4
59.01271	10.7
69.93053	6.1
69.93466	2.9
71.01269	9.1
72.99194	2.1
75.00767	2.4
83.01292	3.3
84.02048	2.3
85.02837	100.0
86.03203	1.7
87.00780	10.0
89.02336	3.4
95.01282	1.9
96.95911	4.3
113.02293	1.4
115.00293	1.6
122.61540	1.7
129.01834	11.0
134.03668	3.9
137.02330	1.5
137.06017	2.2
147.02885	8.5
161.88626	1.4
175.02455	4.4
177.32251	1.5
182.16057	1.7
182.68623	1.6
191.01939	68.0
192.77449	1.5
199.02408	2.2
204.72774	1.6
209.02980	17.6
367.06641	2.2
370.48386	1.8
385.07849	29.5
386.08304	3.4
742.80371	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93599	4.7
59.01268	48.6
60.24011	4.8
61.98715	19.2
71.01251	24.5
71.31146	8.3
75.16996	5.2
87.00755	7.7
87.60011	4.6
89.02365	23.0
96.95912	21.2
101.02361	18.2
113.02354	7.8
116.99509	5.2
119.03450	8.5
125.02386	6.4
129.90086	6.0
179.05559	6.1
182.38792	5.4
194.27519	4.7
235.08206	6.7
235.16954	8.1
275.20102	10.8
293.21304	66.8
294.21658	5.7
311.05692	6.0
341.17978	6.4
359.18826	15.9
397.13699	97.6
398.13879	14.3
415.14648	28.3
691.35016	7.8
727.33191	100.0
728.33948	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	727.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88285	0.4
57.03338	6.1
59.01263	4.0
59.93768	0.4
61.98738	1.0
67.01786	0.5
69.03322	0.8
71.01268	2.8
71.55098	0.3
72.99157	0.5
73.02867	0.5
73.19692	0.4
75.00797	0.6
75.69010	0.4
81.03348	1.8
83.01277	2.9
85.02860	1.5
87.00770	0.6
89.02346	1.4
93.03342	1.0
95.01296	1.8
95.04929	1.7
96.95915	0.9
97.02832	2.3
99.04449	0.6
101.02352	1.0
107.04949	1.1
108.02093	0.5
109.02867	8.9
111.04416	1.5
113.02359	1.6
115.22405	0.4
119.04955	0.6
120.02035	0.4
121.02872	2.1
121.06483	0.4
123.00797	3.0
123.04451	1.2
124.01583	1.6
125.02368	57.2
126.02708	1.4
133.02895	1.1
134.03775	0.5
135.00815	0.5
135.04451	2.0
137.02377	19.9
138.03070	1.5
139.03937	10.2
145.02986	0.4
149.02448	1.1
149.05904	0.9
150.03101	0.6
151.03957	2.9
155.03470	0.6
159.04439	1.2
161.02412	2.0
163.00308	5.1
163.03976	1.4
164.01106	8.1
165.01884	15.7
165.05493	0.7
166.02446	0.6
167.03459	11.4
168.03809	0.5
169.06418	0.4
170.60236	0.4
173.06042	0.8
174.03185	0.6
175.03954	3.2
176.01158	0.7
176.04668	0.5
177.01912	8.3
177.05527	3.2
178.02567	0.9
179.03465	12.2
180.03880	0.7
181.05029	0.7
187.04001	1.3
188.04784	0.5
189.01949	0.8
189.05531	0.7
191.01897	0.5
191.03513	0.7
191.07115	1.3
193.05084	1.2
193.78441	0.5
198.03233	0.6
199.04022	0.7
201.05537	1.8
203.03482	2.5
204.04230	2.3
205.01372	2.5
207.02991	0.6
209.06084	0.5
211.04054	0.6
211.07668	1.9
212.04668	0.6
213.05550	0.7
215.03615	0.7
215.07050	0.9
216.04163	0.4
217.01520	0.4
217.05084	0.8
219.03163	1.0
219.06618	9.6
220.06888	0.6
221.04526	5.7
225.05585	1.0
226.02681	1.1
227.03511	2.2
227.07173	1.7
229.05003	1.1
229.08664	1.5
231.06537	0.6
233.08263	0.6
238.06407	0.5
239.07193	3.8
241.05042	0.7
243.03014	1.4
243.06659	1.2
245.04543	0.6
249.05695	0.8
251.03474	0.5
251.07129	0.5
252.04225	0.5
253.05214	0.5
255.03064	4.4
255.06651	1.5
256.03662	1.3
257.04437	0.7
257.08218	2.5
258.08774	0.5
261.07651	2.4
263.05722	0.8
267.02789	0.5
267.03378	0.7
267.06668	12.7
268.07047	1.1
269.04614	1.0
273.04184	0.6
273.07489	0.8
277.05145	0.5
279.03040	0.8
281.08450	0.5
283.02502	3.0
284.03064	0.6
285.04169	0.9
285.07642	0.7
287.05710	0.8
295.06177	21.7
296.06546	1.6
297.04074	1.6
305.06726	100.0
306.07080	8.7
335.09369	1.2
345.06229	1.1
364.07019	0.5
375.09042	0.5
377.10263	0.7
385.07123	0.5
397.09460	0.9
403.08200	1.3
421.09448	3.7
423.07138	12.7
424.07623	1.2
439.67645	0.4
441.08380	0.7
515.13409	0.7
539.13092	0.5
557.14752	0.6
559.12708	1.7
560.12323	0.5
583.12646	2.0
601.13635	6.0
602.14026	0.9
612.03363	0.4
666.37958	1.0
667.38751	0.7
691.14862	0.5
709.15875	3.1
716.93256	0.5
726.78168	0.6
727.16522	5.4
727.26245	0.4
728.17401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91822	0.3
55.01777	0.5
56.77109	0.3
57.03336	5.3
59.01265	5.1
69.03350	0.9
71.01270	3.2
71.54808	0.3
71.55212	0.4
72.99213	0.6
73.02839	0.4
75.00798	0.3
80.36216	0.3
81.03346	1.4
83.01281	2.8
85.02840	2.3
87.00815	0.5
88.15708	0.3
88.98700	0.4
89.02337	1.3
93.03348	1.7
95.01270	1.6
95.04929	1.2
96.95935	0.6
97.02853	1.9
99.00773	0.6
99.04445	0.3
101.02343	1.6
106.28978	0.3
107.04923	0.7
108.02085	0.5
109.02858	9.7
110.02454	0.3
111.00787	0.5
111.04424	1.6
113.02357	1.4
115.00314	0.4
116.92777	0.5
117.03393	0.4
119.04919	0.6
121.02880	2.3
123.00800	2.8
123.04450	0.8
124.01608	2.0
125.02364	50.1
125.24682	0.3
126.02682	1.8
133.01366	0.6
133.02867	0.7
134.03654	1.4
135.00838	0.6
135.04465	1.5
137.02370	20.4
137.06067	0.4
138.03149	0.9
139.03944	9.9
145.02936	0.3
146.03706	0.4
147.04445	0.9
149.02382	1.0
149.04291	0.3
149.06004	1.5
150.03134	0.6
151.03909	1.8
152.01035	0.4
153.01859	1.8
155.03401	0.5
159.04463	1.1
161.02380	2.0
162.03188	0.6
163.00316	4.6
163.03987	0.8
164.01097	6.6
165.01877	13.6
165.05521	0.6
166.02280	0.3
167.03444	10.3
168.03804	0.5
173.06052	1.1
175.03987	3.1
176.01094	0.6
176.04689	0.4
177.01897	5.0
177.05530	2.7
178.02695	1.9
179.03453	10.1
180.03856	0.3
181.05054	0.6
185.06117	0.4
187.03963	0.6
189.01843	0.4
189.05524	0.5
191.01929	0.4
191.03479	0.8
191.07124	1.0
193.05026	3.2
193.06581	0.5
197.06110	0.4
198.03171	0.3
199.03943	0.6
199.07629	0.7
201.05502	0.7
203.03511	2.1
204.04309	1.9
205.01396	1.4
205.04961	0.6
209.02943	0.3
209.06093	0.4
211.04005	0.3
211.07614	1.5
212.04674	0.4
213.05602	0.4
215.03410	0.5
215.07050	0.4
217.05005	0.4
218.05722	0.6
219.03236	0.4
219.06587	8.7
220.07085	0.5
221.04506	4.4
221.06274	0.3
225.05562	0.8
226.02725	1.1
227.03493	1.3
227.07117	1.1
228.04253	0.6
229.05025	1.0
229.08698	0.9
231.06664	0.3
237.07549	0.5
239.07198	3.3
241.05038	0.5
243.03024	0.6
243.06667	1.1
251.03519	0.6
251.07234	0.5
252.04245	0.3
255.02937	2.0
255.06686	1.2
256.03708	0.4
257.04642	0.4
257.08231	1.1
261.07745	2.5
263.05603	0.4
267.06662	9.0
268.07016	0.7
269.04633	0.7
273.07785	0.7
279.03049	0.7
283.02493	1.1
285.04202	0.7
285.07669	0.4
287.05768	0.5
295.06158	17.2
296.06512	1.5
297.04059	0.7
305.06720	100.0
306.07053	7.4
335.09393	0.6
337.09512	0.4
345.05948	0.4
355.08392	0.4
375.08856	0.6
385.06857	0.4
397.09155	0.4
403.08337	1.3
421.09439	3.3
422.10010	0.5
423.07083	6.1
424.07669	0.9
424.22821	0.3
453.08163	0.5
505.32675	0.3
526.91711	0.3
559.12341	1.9
583.12402	1.4
601.13635	2.7
632.23969	0.4
666.38190	1.7
667.38873	1.5
684.39166	1.3
685.39349	1.0
691.15173	0.7
709.15997	1.4
726.40967	0.6
727.15417	2.5
727.41693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10236	0.2
55.55165	0.2
58.50261	0.2
59.01266	100.0
60.01601	1.0
61.98721	0.6
69.33552	2.3
69.41363	0.2
71.01275	1.7
73.02837	0.6
85.02830	0.4
89.02354	0.6
91.93195	0.2
100.52310	0.2
101.02363	0.6
113.02371	0.9
121.02883	0.3
127.20231	0.2
151.00320	0.5
151.03941	0.5
161.04568	0.4
209.11836	1.3
210.12199	0.9
228.13132	0.3
229.14481	0.4
253.09470	0.3
273.22360	0.5
277.21774	35.5
278.22116	4.5
279.22324	0.4
291.23358	4.4
292.23691	0.5
301.21829	0.7
303.05237	0.3
306.17538	0.3
319.22876	1.9
320.23172	0.3
417.69714	0.3
498.36847	0.3
725.31818	0.5
725.43591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4498
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
59.01266	4.0
71.01269	4.1
71.59386	0.6
72.99184	0.5
73.02841	1.5
78.95805	0.8
83.01266	0.9
83.04900	1.0
85.02837	1.1
87.00782	1.2
89.02339	3.1
97.06499	0.8
101.02356	5.0
110.25916	0.4
111.08052	1.0
113.02348	1.6
119.03432	1.1
119.26715	0.5
130.36273	0.4
133.05016	0.6
145.05055	0.6
160.45770	0.4
161.04507	1.4
162.42598	0.4
165.12802	8.9
166.13277	0.7
179.05618	0.5
183.13879	57.7
184.14220	2.8
205.54022	0.4
209.11766	3.0
227.12881	3.5
235.08249	1.9
253.09315	4.3
258.71603	0.5
261.22345	0.8
277.01883	0.5
279.23358	100.0
280.23709	8.4
445.21030	1.3
463.21979	1.6
525.80634	0.5
563.39374	0.5
665.48389	0.5
725.45001	76.1
726.45367	18.0
732.62140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76487	0.8
55.01788	1.2
57.03315	1.0
58.00481	1.7
59.01263	33.6
61.98725	1.5
69.03347	1.8
71.01265	27.4
71.59789	1.0
71.60466	1.1
72.99197	3.6
73.02834	4.3
73.78580	0.9
79.82714	0.8
81.03320	1.4
83.01289	3.2
83.06459	0.8
85.02848	5.7
87.00774	5.6
89.02334	23.0
91.40338	0.7
95.01318	1.1
97.02828	4.3
99.00775	1.9
101.02341	21.4
101.03008	1.0
109.02859	1.2
111.00745	0.7
111.04436	0.9
113.02345	9.4
113.48725	0.8
118.70013	0.7
119.03412	7.0
121.02887	1.0
125.02375	11.3
131.03470	0.8
133.05037	0.8
137.02400	1.1
139.03879	1.0
143.03407	2.6
161.04501	4.5
179.05605	4.2
187.76901	0.8
221.06747	1.6
235.08258	11.1
236.08736	0.9
253.09290	2.0
260.16406	1.0
267.23337	78.3
268.23685	8.1
287.07849	4.0
293.21451	1.1
305.09119	3.7
323.09784	1.1
351.67300	0.9
397.13586	100.0
398.13895	8.9
415.14658	29.5
416.14786	1.6
528.84467	0.8
529.51654	0.8
530.42419	0.9
559.30615	0.8
665.37634	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03320	2.4
58.00463	1.0
59.01265	29.1
61.98708	1.9
71.00867	0.9
71.01266	16.3
71.60849	1.5
72.99181	2.8
73.02823	3.3
75.00753	3.1
83.01261	1.2
85.02840	9.2
87.00771	3.2
89.02339	6.7
92.09425	0.9
93.03357	0.9
95.01278	1.8
96.35445	1.0
96.95920	8.4
97.02846	1.0
98.95471	3.3
99.00769	2.3
101.02337	7.5
109.02836	2.7
113.02361	7.4
115.00275	1.0
115.47780	0.8
115.92001	1.0
117.03372	20.9
118.03658	1.0
119.03389	2.4
119.04925	1.6
125.02354	3.8
134.03648	2.0
135.04451	23.1
136.01573	0.8
137.02339	1.5
142.24384	0.9
149.02330	2.0
149.06013	1.0
151.03922	1.8
161.02368	3.3
161.04556	0.9
163.00282	1.2
163.03975	1.4
165.01857	0.9
165.05466	2.3
173.02415	1.8
175.03938	2.3
177.01804	2.7
179.05641	1.3
185.02454	4.9
187.04002	1.2
195.06612	0.9
199.03891	0.9
202.02553	0.9
203.03445	1.7
204.00581	1.0
212.04607	1.0
213.05701	0.9
215.03452	1.2
225.05501	0.9
239.03543	1.5
241.05069	1.0
249.05682	2.2
255.06604	1.1
265.04822	1.6
266.05951	2.1
267.03061	2.1
267.06754	2.8
268.07178	1.4
269.04706	1.0
269.08112	4.3
279.06403	1.3
280.03821	1.4
281.04559	4.1
281.07797	1.2
282.01678	4.8
282.04919	1.4
283.06015	1.3
285.07733	1.8
291.06174	1.2
293.04623	6.3
293.07690	1.1
294.05331	4.0
295.06094	3.7
296.06891	1.8
297.07742	3.3
300.10211	2.4
305.04520	7.2
306.05356	5.1
307.06049	2.8
309.07809	1.1
315.12476	9.4
321.04178	1.1
322.04922	14.4
323.05603	10.5
326.04272	1.9
327.21753	4.4
331.06189	1.3
335.05707	1.2
338.04248	1.0
343.06186	1.3
353.06686	1.6
365.06516	1.1
372.05981	1.2
389.06458	1.1
390.07660	1.6
399.05035	2.9
400.05905	10.5
401.06458	2.7
403.08286	1.1
417.09979	1.8
441.09872	65.8
442.10257	10.5
448.07629	1.9
458.09885	1.3
459.10809	2.6
462.09802	1.3
469.11606	8.0
471.11002	4.4
472.11197	1.1
483.10864	1.2
489.12045	2.0
501.11868	1.1
503.32690	1.6
519.18591	2.9
521.32886	1.5
561.14166	40.9
562.14557	6.9
577.15387	1.4
579.15192	1.2
589.15717	41.2
590.16174	7.6
605.16382	3.8
664.36627	1.2
665.37543	11.9
683.38434	6.9
725.20917	100.0
725.33533	3.5
726.21179	21.3
726.33820	1.6
755.26624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.03337	0.9
58.30266	0.5
59.01262	7.4
59.74611	0.5
61.12299	0.6
70.83112	1.5
71.01274	5.3
71.98341	0.5
73.02841	1.6
83.01274	0.6
83.04893	0.7
85.02844	1.8
87.00773	1.2
89.02330	3.8
97.06496	1.1
98.35653	0.5
101.02335	5.0
111.08057	1.3
113.02364	2.4
119.03440	0.7
145.04962	0.6
161.04523	1.9
163.11273	0.6
165.12798	11.0
183.13869	75.0
184.14189	4.0
209.11790	4.4
227.12866	4.7
235.08223	2.3
244.09650	0.5
253.09315	6.3
259.20789	0.5
272.00629	0.5
275.20279	0.7
277.21786	100.0
278.22144	10.0
345.19333	0.6
445.20752	1.8
463.21829	2.3
602.62073	0.6
607.70697	0.6
615.05865	0.5
723.43384	85.9
724.43738	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
61.98716	100.0
62.98421	0.2
69.77105	0.9
71.01276	0.4
81.33958	0.1
85.83200	0.1
88.37327	0.1
89.02342	0.4
95.78146	0.1
101.02371	0.4
111.57396	0.1
113.02341	0.2
117.15383	0.2
120.50680	0.1
180.54735	0.2
263.20319	0.4
264.20621	0.8
265.20752	0.3
267.84512	0.2
290.72464	0.1
322.72311	0.1
330.96988	0.2
358.15796	0.2
397.13651	0.3
398.13855	0.4
399.14212	0.8
400.14417	0.4
417.15335	0.4
418.15512	0.2
467.21899	0.2
532.39203	0.2
536.59064	0.1
693.49268	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.4
59.01262	6.4
61.33764	0.4
70.58978	0.8
71.01270	4.3
73.02836	1.5
80.77276	0.4
81.05584	0.3
83.01276	0.4
85.02850	1.2
87.00774	1.0
89.02329	2.9
101.02348	3.8
104.39858	0.4
111.08080	0.4
113.02359	1.9
119.03416	0.9
130.89986	0.3
130.91124	0.4
133.04936	0.4
143.03491	0.4
161.04532	1.3
165.12810	6.0
166.13161	0.4
179.05589	0.4
183.13866	100.0
184.14220	6.1
209.11833	1.7
227.12935	4.1
235.08218	2.6
253.09349	4.3
277.21774	32.9
278.22171	3.4
293.57629	0.3
359.86218	0.4
363.05936	0.3
419.22815	1.2
445.20758	1.5
463.22031	4.3
723.43372	63.6
724.43689	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	723.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03331	1.4
58.00477	0.7
59.01265	9.4
61.98718	0.5
71.01268	9.8
71.16808	0.7
72.99192	0.9
73.02837	1.8
74.72009	0.4
75.00754	0.5
80.02544	0.7
81.03368	0.9
83.01277	1.7
83.04457	0.5
83.04903	2.9
85.02842	3.4
87.00768	1.8
89.02328	4.6
93.03340	0.3
95.01318	0.9
95.04891	0.5
97.02860	0.7
97.06493	0.9
98.11256	0.4
99.00771	0.9
101.02348	7.1
109.06497	0.4
111.08047	0.9
113.02356	4.7
119.03384	1.7
121.02870	0.7
123.08071	0.8
124.05244	0.8
124.42513	0.4
125.02410	0.5
125.05980	0.6
132.79597	0.3
136.05217	0.5
139.07564	3.7
143.03433	1.5
145.04971	0.5
149.02344	0.6
149.04340	0.3
151.07567	2.1
161.04546	2.9
161.09647	0.4
163.11203	2.0
165.12784	5.9
177.91899	0.4
179.05568	0.7
179.10710	1.3
181.12343	0.5
183.13869	62.4
184.14183	2.8
191.10733	0.8
193.12343	0.7
199.13335	2.9
200.13727	0.5
205.12325	0.8
209.11813	45.6
210.12180	3.0
211.13600	0.4
223.13408	1.4
227.12894	17.3
228.13234	1.1
233.22639	0.5
235.08218	3.6
241.14436	4.6
253.05083	0.4
253.09319	8.8
259.20764	0.6
271.06158	1.0
273.22562	0.6
275.20203	0.9
277.21774	100.0
278.19058	0.6
278.22122	9.8
286.08524	0.8
291.23349	1.4
301.10971	2.7
319.22940	0.9
385.18784	10.7
386.19025	1.0
403.14825	0.8
403.19797	9.2
404.20157	0.8
419.23151	0.5
445.20898	3.0
463.22076	4.3
469.33374	0.5
663.41064	0.8
723.43396	33.8
724.43579	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	723.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.1
57.03335	0.1
58.00493	0.1
59.01264	2.9
69.03342	0.1
69.46038	0.3
69.46461	0.4
71.01267	2.0
71.04896	0.2
72.99205	0.1
73.02856	0.4
80.02561	0.9
81.02454	0.1
81.03339	0.9
83.01283	0.3
83.04913	4.2
84.02059	0.7
85.02839	0.5
87.00753	0.4
89.02335	1.9
91.03921	0.1
93.03365	0.1
95.01269	0.2
95.04903	0.6
97.02864	0.1
97.06486	0.2
98.20621	0.2
99.00784	0.1
101.02340	1.7
109.06494	0.1
111.04428	0.1
111.08028	0.1
113.02373	1.1
118.14739	0.1
119.03410	0.3
125.06000	0.4
125.09619	0.1
127.07571	0.1
127.11258	0.1
131.03516	0.1
135.08107	0.6
143.03435	0.3
145.04964	0.1
146.26906	0.1
147.11697	0.1
155.45020	0.1
161.04509	0.8
163.11238	3.6
164.11525	0.2
165.12794	2.3
166.13106	0.1
179.05489	0.5
181.12341	0.5
181.41060	0.1
191.10747	0.8
199.13480	0.1
209.11810	100.0
210.10118	0.2
210.12143	5.8
227.12886	11.0
228.13222	0.6
233.22810	0.2
235.08208	1.5
253.09303	7.1
254.09625	0.5
259.20648	0.2
275.20105	0.1
277.21768	47.6
278.22119	4.4
445.20877	0.9
463.22116	0.2
515.31018	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01656	0.1
55.01761	0.3
55.13919	0.1
57.03326	0.2
58.00471	0.2
59.01262	4.2
64.90101	0.1
69.03343	0.2
69.66563	0.6
71.01267	3.6
71.04899	0.1
72.99203	0.2
73.02829	1.1
73.72678	0.1
80.02562	0.9
81.03355	1.0
83.01277	0.5
83.04912	3.8
84.02055	0.5
84.03082	0.1
85.02841	1.0
87.00761	1.0
89.02334	1.8
93.03324	0.1
93.86278	0.1
95.01292	0.2
95.04942	0.4
97.02836	0.2
97.06505	0.2
98.19875	0.1
99.00784	0.2
99.04430	0.1
101.02346	3.2
109.06505	0.2
111.08027	0.1
113.02364	1.6
113.06023	0.1
115.03943	0.2
119.03426	0.6
125.02342	0.1
125.05982	0.3
125.09619	0.2
127.03941	0.1
127.07552	0.2
129.01933	0.1
130.05858	0.1
133.05000	0.2
135.08084	0.4
139.04007	0.1
143.03421	0.2
145.04980	0.8
147.11665	0.1
149.04532	0.1
157.05035	0.1
157.82272	0.1
161.04498	1.5
163.11238	2.7
164.11478	0.2
165.12802	1.6
169.04974	0.1
179.05534	0.3
181.12294	0.4
191.10742	0.7
199.13367	0.2
209.11813	77.9
210.12146	5.1
227.12881	10.1
228.13257	0.8
233.22803	0.3
235.08247	5.7
236.08611	0.2
253.09314	8.5
254.09708	0.4
259.20667	0.3
260.21371	0.1
275.20273	0.4
277.21771	100.0
278.22113	9.2
445.20743	0.5
513.30804	0.4
556.45770	0.1
723.43695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
57.38692	0.4
59.01260	2.2
70.02868	19.7
71.01273	3.9
72.00772	0.8
85.02847	1.0
89.02323	0.7
91.05447	2.0
91.05990	0.4
94.21632	0.5
96.95910	15.4
96.99211	5.4
98.20641	1.2
98.95522	1.4
101.02345	0.8
112.00337	0.6
113.02358	1.2
114.01885	100.0
115.02206	1.7
117.03373	9.4
117.07011	1.0
117.29963	0.5
118.06576	0.8
129.01874	1.6
134.06050	15.9
135.06400	0.6
144.08134	1.6
146.04552	2.5
146.06073	2.0
160.07655	2.6
165.05469	0.5
172.40779	0.5
188.07159	4.4
223.99385	0.5
232.06166	76.0
233.06508	4.8
264.08829	26.9
265.09113	1.9
269.04602	2.2
301.35907	0.5
340.02646	0.6
439.08398	0.8
723.25458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23236	0.4
57.14165	0.4
59.01265	5.6
61.98719	0.6
63.02286	0.5
63.17659	0.4
64.61313	0.4
65.00210	0.8
66.78258	0.4
71.01259	2.3
71.61346	0.4
80.02556	1.1
81.03337	1.1
83.01277	1.2
83.04918	4.2
84.02068	0.6
85.02830	0.6
87.00766	0.5
89.02334	2.0
95.04941	0.6
101.02332	2.2
107.01291	2.4
108.02090	0.6
109.02847	1.0
113.02378	1.4
114.32581	0.5
121.02837	1.0
135.08080	0.6
148.01604	0.6
151.00316	7.1
157.87408	0.4
161.04456	0.6
163.00317	2.4
163.11237	4.1
165.12791	1.8
169.01419	0.8
178.99814	4.2
179.50500	0.4
183.04616	0.5
187.03999	0.5
191.10747	0.9
198.03157	0.6
199.03961	0.9
203.03462	0.5
209.11815	100.0
210.12117	3.5
211.04134	1.0
211.13373	1.4
213.49078	0.4
215.03627	0.7
216.04205	0.6
226.02727	4.3
227.03540	3.8
227.12889	10.0
235.08121	1.1
243.00479	1.0
243.02997	14.5
244.03354	0.9
245.04456	0.6
253.09335	6.7
254.02301	4.4
254.09430	0.5
255.03012	17.1
256.03391	1.3
271.02530	65.6
272.02969	5.6
273.04068	0.7
277.21780	50.1
278.22101	3.0
293.21396	0.9
299.02100	0.8
300.02805	58.1
301.03510	21.8
302.03839	2.0
343.04660	0.5
401.67755	0.4
445.21024	0.9
463.08890	1.3
723.30353	56.5
724.30725	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	721.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04863	0.6
55.01758	0.9
56.34605	0.6
57.03328	0.8
58.00467	1.1
59.01266	31.1
61.98698	2.5
62.98322	0.6
69.03357	0.9
71.01268	26.0
71.08174	1.4
72.99187	3.4
73.02835	5.3
78.29646	0.6
78.38540	0.6
81.03340	1.8
82.23175	0.6
83.01274	3.5
85.02834	6.5
87.00767	5.5
89.02336	23.6
95.01272	1.7
97.02847	5.1
99.00731	1.6
99.04417	0.8
101.02342	21.6
111.00762	1.0
111.04388	0.9
113.02351	9.4
115.03901	0.8
119.03396	5.6
123.00932	0.6
125.02371	8.1
131.03433	1.5
133.05051	0.7
139.03949	0.9
143.03389	3.7
161.04518	4.8
163.45645	0.7
179.05539	3.8
217.07193	1.1
221.06699	1.4
235.08185	10.6
245.19203	0.8
253.09358	1.7
263.20203	62.5
264.20572	4.4
287.07803	2.7
305.08798	3.7
323.09933	1.5
379.12354	1.3
397.13559	100.0
398.13965	6.0
402.32074	0.7
415.14642	31.9
416.14935	2.9
661.34479	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	721.367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44659	0.3
55.01763	1.1
57.03335	0.8
58.00466	1.6
59.01266	31.4
61.98706	0.9
67.01756	0.4
68.10600	0.3
69.03336	1.2
69.49833	0.3
70.11491	1.7
71.01272	27.7
71.69421	0.4
72.01577	0.5
72.99203	2.1
73.02837	4.7
75.00762	0.8
81.03336	1.2
83.01276	3.4
85.02847	5.7
87.00768	5.3
89.02338	23.3
95.01275	1.5
96.95890	0.3
97.02859	4.7
99.00784	1.6
101.02345	23.2
103.03902	0.4
109.02863	0.4
111.00742	0.4
111.04458	0.8
113.02354	9.4
115.03899	0.5
119.03410	7.4
121.21272	0.4
125.02373	9.7
131.03397	0.9
133.04965	0.6
137.02388	0.5
143.03448	3.8
149.04468	0.8
161.04494	5.2
167.03378	0.6
169.05182	0.4
179.05524	4.1
195.33429	0.4
195.53641	0.3
203.05635	0.5
209.11853	0.4
217.07112	0.6
219.05225	0.4
219.21162	0.4
221.06638	1.0
229.09761	0.4
235.08235	11.8
245.06514	0.6
253.09338	2.5
263.07721	1.1
263.20209	66.1
264.20554	5.2
277.09232	0.7
287.07764	3.4
305.08856	4.4
323.10001	1.3
323.27289	0.4
379.12637	0.7
397.13586	100.0
398.13882	5.8
415.14667	33.6
416.14999	2.3
433.89008	0.4
488.07150	0.4
661.34485	2.8
677.42450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03332	0.5
58.00471	0.6
58.19444	0.3
59.01265	100.0
60.01611	1.0
62.34443	0.3
69.21166	0.6
69.21565	3.2
71.01270	12.3
72.99210	0.6
73.02838	6.6
75.00774	0.4
80.25059	0.4
83.01294	2.2
85.02841	4.0
86.15620	0.4
87.00781	0.4
89.02344	4.1
95.01296	0.8
97.02847	0.4
99.00797	1.5
101.02350	11.3
113.02356	5.3
119.03416	2.0
125.02405	0.7
131.03448	0.9
131.43553	0.4
135.86974	0.4
138.06845	0.7
143.03441	1.2
147.35461	0.3
149.04532	1.5
149.06082	0.4
153.09190	1.9
154.21454	0.3
159.02954	0.8
161.04500	7.6
170.53018	0.4
173.71278	0.3
175.02522	0.3
179.05583	0.9
221.06763	1.6
225.14954	3.8
247.11911	11.3
247.14357	0.7
248.12309	0.4
289.13004	9.0
289.16003	0.6
290.13394	0.5
333.15540	0.4
367.52463	0.5
387.20355	2.6
565.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.0
61.98713	3.1
69.36850	4.6
71.01263	0.8
73.02802	0.5
83.01251	1.0
85.02846	0.6
93.03345	0.6
96.95895	1.9
97.02827	1.2
103.31985	0.6
109.02903	1.0
118.96653	0.4
121.02936	0.7
122.03658	1.1
123.04382	0.8
124.01561	0.9
125.02370	2.6
131.04868	0.5
137.02336	1.7
146.03642	1.9
147.04422	1.4
148.01581	1.0
149.06029	2.2
150.03209	0.6
151.03914	1.0
159.04437	2.1
160.05278	0.6
161.06027	2.2
163.07527	1.1
165.01936	0.5
173.06009	1.0
174.03137	0.8
183.13844	1.3
185.05991	0.7
187.03914	1.6
187.07567	0.9
188.04704	1.7
189.05469	3.0
190.02657	1.5
191.07057	0.7
197.06096	0.7
199.07631	0.7
201.05493	1.6
203.07172	0.7
205.08740	1.0
209.11765	0.6
212.04729	0.8
213.05486	1.5
214.06314	0.6
215.07103	1.0
216.04321	0.7
225.05585	0.8
225.09209	0.5
227.03584	0.5
227.07130	2.6
227.12917	0.8
229.05127	0.6
229.08681	1.5
230.02177	0.6
231.02898	0.5
231.06549	1.6
239.07080	0.8
241.08752	0.6
242.02103	0.7
243.03055	1.0
244.03693	1.2
245.04440	1.0
246.05180	0.6
247.09760	0.7
250.06384	1.1
251.07159	0.8
253.05023	0.7
257.04703	0.7
257.08194	3.8
258.08688	0.6
261.05484	0.6
264.04437	0.6
265.05255	0.7
266.05716	0.7
267.06570	0.9
268.07410	0.7
273.07840	1.4
275.07242	0.9
277.05026	0.9
278.05927	0.7
279.06674	0.9
280.07440	0.6
281.08145	0.6
285.07724	1.1
289.05255	1.0
289.08606	1.1
290.09485	0.9
291.06964	1.0
291.10242	4.9
293.04764	0.7
293.08353	0.7
295.06213	1.0
296.06961	1.1
301.05103	2.3
302.05847	0.7
303.03192	0.5
303.06693	1.3
304.07486	0.9
305.04556	2.8
305.07935	1.1
306.05258	0.9
307.06140	0.9
309.07602	1.0
313.07239	0.8
315.08984	2.8
316.03973	0.7
317.04614	2.9
317.08246	1.2
318.05383	1.0
318.09000	1.1
319.02469	0.9
319.06223	2.8
319.09772	26.4
320.10410	5.1
321.04156	0.6
321.07684	1.5
321.11267	1.1
329.04471	2.2
330.05084	0.8
331.06140	1.9
332.03342	0.7
333.04138	11.8
333.07840	1.3
334.04495	1.2
334.08212	1.1
335.05795	0.8
335.09152	3.2
336.10104	7.1
337.10883	57.0
338.11292	5.3
343.06049	1.5
344.06967	1.5
345.03928	0.6
345.07690	1.8
346.08606	0.6
347.05649	7.8
347.09442	1.4
348.06195	1.9
349.07141	0.7
357.04053	1.3
357.07727	1.1
357.11459	1.1
359.05576	0.9
361.07126	2.7
362.08087	4.5
363.08597	1.4
369.07684	1.1
370.08603	0.7
373.11285	1.0
375.12448	1.5
385.11002	2.1
386.07556	1.0
387.12762	0.9
389.10382	1.5
403.11923	7.3
404.12451	1.3
405.13519	8.0
406.13654	0.7
415.11917	0.8
427.11746	1.0
433.12903	1.9
469.12747	0.7
496.20065	0.5
642.14758	0.7
675.22375	1.9
683.19971	1.2
701.20142	1.4
717.98749	0.6
719.21466	100.0
720.21802	22.9
746.59924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17063	0.2
59.01267	2.0
61.98701	0.9
63.29162	0.2
71.01260	1.1
71.60947	0.3
73.02816	0.4
85.02840	0.4
89.02330	0.2
89.62923	0.2
91.19814	0.2
93.03347	0.5
95.04880	0.2
96.95907	0.7
101.02369	0.5
108.02071	0.6
109.02855	0.9
110.36043	0.2
113.02366	0.6
119.04892	0.4
121.02850	2.1
122.03689	1.4
123.04423	1.0
124.01540	0.3
129.03404	0.6
134.03677	0.2
135.04407	0.6
137.02365	0.4
145.02899	0.4
146.03667	0.4
147.04477	3.5
148.05164	0.3
149.06017	0.4
150.03186	0.6
151.03922	0.2
159.04446	0.4
161.05992	0.9
162.03082	0.2
163.03896	0.5
164.04782	0.4
165.05521	5.3
166.05899	0.4
179.07098	1.3
180.07442	0.2
195.06607	0.3
199.07639	0.3
201.05460	0.2
208.75821	0.2
213.05557	0.3
214.06447	0.4
215.07129	1.0
225.05702	0.2
227.07039	0.4
228.04301	0.5
229.04993	0.4
229.08670	0.7
230.05821	0.6
231.06551	0.4
239.07138	0.4
239.30391	0.2
240.07938	0.5
241.05032	0.8
241.46292	0.2
242.05916	1.1
243.06651	3.9
244.07408	1.1
245.08153	0.4
251.07184	0.3
253.08821	0.4
255.06635	1.1
256.07452	1.5
257.08212	2.5
258.08966	2.2
259.06314	0.3
259.09482	0.3
262.04788	0.4
264.07745	0.2
267.06668	1.6
267.09494	0.2
268.07391	1.7
269.08237	1.4
270.08966	1.6
271.09726	1.6
272.07123	0.2
272.10446	0.5
273.07678	0.2
276.06549	0.6
279.06729	0.2
281.08292	1.1
282.08939	1.3
283.06873	0.4
283.09634	1.5
284.07419	0.3
284.10580	1.2
285.07718	1.1
285.11368	1.5
286.08557	1.4
287.09283	0.4
288.06528	1.2
290.07996	2.5
293.08316	0.3
294.08960	0.4
295.09662	1.0
296.10452	0.5
297.11261	1.1
298.08475	0.3
299.09195	0.8
299.12680	0.4
300.06445	1.3
300.10065	2.2
301.10867	2.6
302.08109	1.2
302.11096	0.4
304.09607	0.7
308.10483	0.3
309.11417	1.0
311.09293	0.8
311.12967	0.5
313.10971	1.3
314.07947	0.9
314.11584	1.0
315.12384	2.8
316.09488	0.5
318.07593	0.8
323.13019	0.3
325.10913	2.0
326.11237	0.4
327.12405	1.2
328.09552	0.4
329.14014	0.7
332.09073	0.9
337.10895	0.4
339.12497	0.9
341.13962	0.7
343.11832	0.7
353.13925	0.2
355.11652	0.3
357.13644	0.6
449.15793	0.3
451.17697	0.9
461.16302	0.6
463.17749	0.6
465.19479	0.3
467.17059	0.5
469.18863	0.6
474.16415	0.3
475.17749	0.9
477.19598	1.7
480.17804	0.7
481.18799	2.5
482.19427	0.7
483.20563	0.3
489.19312	0.7
492.17831	1.9
493.18747	1.2
495.20334	9.7
496.20895	1.9
503.20947	0.4
506.19415	0.3
507.20355	13.1
508.20767	2.4
509.22055	4.3
510.22195	0.9
511.19537	0.3
521.22052	1.3
522.21893	0.4
523.23370	0.5
524.23114	0.2
525.21442	8.4
526.21973	1.3
539.22974	3.4
540.23273	0.5
644.25159	0.2
645.26752	0.4
675.28174	3.5
676.28650	1.0
689.29108	0.4
721.32452	100.0
722.32770	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.0
61.98715	5.3
71.01267	1.2
71.60896	0.5
72.99203	0.5
73.02853	0.5
75.00789	0.6
81.03354	0.5
83.01243	0.9
85.02846	1.1
89.02369	0.5
96.95909	2.5
97.02827	1.5
101.02342	1.1
103.30339	0.5
106.33437	0.4
108.55786	0.5
111.75082	0.5
113.02324	0.8
121.02845	1.5
122.03604	0.5
123.00793	1.1
123.04449	0.6
124.01600	1.2
125.02354	3.5
131.05008	0.5
133.02870	0.5
135.04448	0.9
137.02391	2.7
139.03928	0.8
146.03670	1.0
147.04475	2.4
148.01572	1.0
149.05952	1.8
150.03119	0.7
151.04019	0.7
157.06485	0.5
159.04456	1.8
160.05209	0.6
161.02330	0.7
161.06021	2.2
163.03905	0.5
163.07501	0.8
165.01878	0.8
167.03438	0.7
169.06387	0.6
173.06035	0.8
174.03224	0.8
175.03925	1.9
185.06075	1.1
187.03941	1.7
187.07611	1.0
188.04787	1.6
189.05510	3.0
190.02689	1.7
191.03378	0.8
197.05974	0.7
199.03995	0.9
199.07613	1.1
200.04826	0.5
201.05516	1.0
203.07076	0.6
205.08649	1.4
213.05588	1.8
214.06281	1.2
215.03516	0.7
215.07062	1.6
216.04089	1.0
225.05727	0.7
226.06425	1.1
227.07181	2.2
227.45163	0.5
229.05154	0.6
229.08693	2.1
230.02107	0.6
231.03075	0.7
231.06612	1.7
239.07047	0.7
241.04929	0.6
241.08774	0.7
243.02965	1.5
244.03786	1.2
245.04414	0.9
249.05626	1.2
251.06970	0.8
255.06711	1.0
257.08255	4.5
264.04089	0.6
264.07849	0.6
265.05032	0.7
271.06250	0.8
273.07877	0.6
275.07315	0.7
285.07764	1.5
287.07193	0.9
289.05203	1.1
289.08472	0.7
290.05655	0.7
291.06985	1.1
291.10165	4.8
293.08115	0.6
294.05255	0.6
295.06223	1.3
296.06918	1.1
297.07516	0.7
301.05188	2.9
301.08524	0.8
302.05722	0.9
303.06674	1.5
304.03986	0.6
304.07587	0.6
305.04535	2.8
305.08054	1.0
305.42834	0.5
306.05109	0.7
306.08829	0.9
307.06287	1.1
309.07809	1.0
315.09052	2.8
316.07184	0.8
317.04538	2.3
317.08228	1.3
318.05270	1.1
318.08792	0.8
319.06256	2.2
319.09787	25.6
320.06931	0.8
320.10394	4.1
321.04276	0.8
321.07758	1.8
321.11221	0.7
327.06534	0.5
328.07355	0.7
329.04486	1.8
330.05246	0.8
331.06137	1.6
332.03159	1.3
332.06784	0.8
333.04184	11.7
333.07770	1.3
334.04459	1.7
334.08469	1.3
335.05582	0.8
335.09207	3.3
336.10086	5.4
337.10892	52.3
338.11157	5.6
341.08295	0.7
343.06134	1.8
344.06586	0.8
345.07825	1.3
346.04892	1.5
346.08609	1.2
347.05640	8.6
347.09384	1.4
348.06174	2.0
349.07108	1.3
355.06149	0.6
357.04092	1.8
357.07813	1.7
357.11566	0.9
359.05557	1.0
359.09579	1.0
360.09943	0.8
361.07275	3.2
362.07919	4.0
363.08719	1.1
369.07779	0.7
371.05493	1.1
371.09396	0.9
373.06967	1.1
374.07541	0.6
375.12506	1.3
385.11047	2.8
386.12030	0.6
387.12842	0.8
389.10083	2.4
403.11945	6.3
405.13513	7.9
406.13898	1.0
415.11792	0.8
427.11786	1.3
433.13025	3.3
436.58054	0.6
469.12885	1.0
611.21552	0.6
675.22455	1.4
683.19482	2.3
701.19745	0.8
719.21484	100.0
720.21912	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42653	0.4
52.26793	0.4
53.62070	0.4
57.03328	0.5
59.01272	2.3
61.98715	3.3
67.01767	0.3
69.37531	2.3
69.37962	1.7
71.01263	1.0
83.01279	1.1
85.02896	0.7
87.00774	0.4
89.47076	0.4
93.03387	0.5
95.01306	0.5
96.95927	1.5
97.02859	1.4
98.20540	0.9
108.02058	0.6
109.02877	1.4
113.02374	0.8
117.60073	0.5
119.01093	0.4
121.02860	0.5
122.03665	0.6
123.00838	0.6
124.01614	0.7
125.02360	3.8
135.04431	3.1
137.02374	2.0
143.04947	0.5
146.03665	1.4
147.04401	2.3
148.01604	0.7
149.02353	0.8
149.05995	2.2
150.03133	0.6
151.03973	1.2
159.04446	2.0
160.05220	0.6
161.02438	0.8
161.06006	2.6
163.07591	0.8
165.01987	0.7
167.03479	0.7
171.04482	0.4
172.05168	0.6
173.06055	0.6
174.03209	0.8
175.03877	1.0
185.06049	1.6
186.06726	0.6
187.04062	1.3
187.07623	0.8
188.04805	1.4
189.05556	2.3
190.02716	1.7
197.06111	0.7
199.03951	0.7
199.07610	0.8
201.05583	1.8
203.03464	0.7
203.07176	0.8
205.08604	1.2
209.06174	0.5
211.07552	0.6
213.05569	1.5
214.02669	0.6
214.06259	0.5
215.03510	0.7
215.07088	1.4
216.04181	0.8
217.04982	0.6
223.07596	0.4
225.05560	1.0
227.03511	0.6
227.07147	2.5
228.07944	0.6
229.05023	0.8
229.08615	2.2
231.03040	0.8
231.06657	1.4
232.03729	0.7
239.07135	0.7
243.03020	1.3
244.03801	1.6
245.04439	0.7
246.05353	0.6
247.09929	0.7
249.05681	0.7
250.06384	1.2
251.07175	0.6
252.07999	0.6
253.08835	0.5
254.05838	0.6
255.06496	0.7
257.08179	3.6
258.08783	0.4
265.05151	0.9
265.08417	0.5
267.03061	0.4
267.06519	0.6
268.03967	0.5
268.07208	0.5
273.07770	1.2
277.05173	0.8
278.05984	0.7
279.06781	0.7
285.07724	1.9
287.07156	0.7
288.08084	0.5
289.05109	1.8
290.05832	0.6
290.09390	0.5
291.07034	1.0
291.10223	5.4
293.04987	0.8
293.08218	1.0
294.05325	1.1
295.06137	1.0
295.42438	0.6
296.06970	1.2
301.05222	2.5
301.08435	0.6
302.06104	0.7
303.03299	0.7
303.06714	1.8
304.03873	0.9
304.07431	0.6
305.04709	3.0
305.08069	0.7
306.05270	0.6
307.06247	1.1
307.09491	0.7
309.07797	1.0
313.07819	0.6
315.09271	2.8
316.03830	0.6
317.04642	2.7
317.08292	1.6
318.05276	0.9
318.08957	0.6
319.06210	2.8
319.09775	26.4
320.10370	5.6
321.04211	1.0
321.07773	1.0
326.05945	0.8
329.04559	2.0
331.06250	2.2
332.03333	1.6
332.06888	0.6
333.04123	13.1
333.07761	1.7
334.04443	1.6
334.08441	1.3
335.05792	0.6
335.09360	3.0
336.10117	6.4
337.10876	57.8
338.11212	6.8
341.08319	0.8
343.06189	1.1
344.06793	1.1
345.04031	0.8
345.07690	2.0
346.04703	1.0
346.08533	1.3
347.05670	7.8
347.09448	1.1
348.06171	1.3
349.07242	0.8
355.09930	0.7
357.04010	1.7
357.07843	2.1
357.11374	0.9
359.05518	0.9
359.09366	0.6
361.07114	2.9
361.11115	0.5
362.07877	4.8
363.08463	1.0
369.07629	0.8
370.08981	0.5
371.05399	0.7
371.09564	0.9
373.06876	0.7
373.11087	0.9
375.12662	1.3
385.11005	3.2
386.07651	0.6
387.08597	1.0
389.10291	1.9
397.10971	0.8
403.11960	7.9
404.12360	0.7
405.13602	9.1
406.13651	1.5
409.11102	0.7
415.11948	0.8
427.11813	1.1
429.13257	0.5
433.13144	3.2
469.12848	0.7
543.16602	0.8
565.14557	0.5
583.15985	1.0
642.16022	1.0
657.20874	0.5
675.22296	1.4
676.22217	0.7
683.19403	1.7
684.19751	0.6
701.20685	1.9
719.21478	100.0
720.21814	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.9
61.98714	3.4
63.36657	0.6
64.22615	0.6
70.19974	2.1
70.20385	1.2
71.01295	0.7
96.95921	1.8
123.00859	0.7
131.04948	0.8
145.02888	0.9
146.03650	1.4
147.04472	1.1
149.02315	0.9
149.06015	1.0
158.03693	2.9
159.04497	4.2
160.01663	0.8
161.02455	1.9
161.06047	1.3
162.03174	0.8
163.03940	0.8
171.04443	0.8
173.02373	1.9
173.06020	0.7
174.03169	1.9
175.03928	1.6
183.04494	0.9
185.02359	0.8
185.06032	1.8
186.03229	4.8
187.04028	3.2
188.04744	6.2
189.01894	2.7
189.05357	0.9
190.02727	3.9
197.06107	0.9
199.03984	2.6
200.04663	1.4
201.01921	8.2
201.05585	1.1
202.02705	9.5
203.03276	0.8
203.07133	1.2
209.06140	0.9
209.11758	0.9
211.04025	1.7
211.07564	1.2
213.01990	5.0
213.05577	3.4
214.02725	31.4
214.05913	1.2
215.03432	7.5
215.06877	0.9
216.04214	1.8
217.01549	0.7
218.02187	1.2
225.05519	1.1
226.02785	0.8
227.03465	2.6
227.07063	3.1
228.04112	0.8
228.07832	1.4
229.01413	4.9
229.05138	1.5
229.08604	0.9
230.02217	4.3
231.02982	1.6
231.06668	8.3
237.05618	1.4
239.03477	0.9
239.07141	1.8
240.04248	1.5
241.01430	5.5
241.05139	2.1
242.02228	24.0
243.02980	12.9
244.03815	6.0
246.01740	22.2
247.02029	1.4
249.05563	1.3
250.06357	1.3
251.07175	1.1
254.02127	1.2
255.02975	2.4
255.06618	3.1
256.03781	1.0
256.07324	1.6
257.04642	0.7
257.08170	3.3
264.04330	1.8
264.08188	0.9
265.05188	1.5
266.05734	0.8
267.06650	1.8
268.03845	1.4
269.04593	1.3
270.01718	3.5
271.02509	5.1
271.05792	1.3
272.03296	5.7
273.03693	0.9
273.17715	0.8
275.07275	1.1
279.06683	1.1
280.07196	0.8
281.04712	0.9
282.05338	0.7
282.29562	0.7
283.06198	50.1
284.03546	1.3
284.06677	8.3
285.07932	0.9
289.05148	1.8
291.06973	0.9
291.10309	2.5
293.04657	1.8
294.05505	1.4
295.06107	3.3
296.03351	1.4
296.06580	1.2
297.07690	1.2
301.05026	1.2
303.06589	1.6
305.04584	3.1
306.09100	0.7
307.06323	0.8
309.07709	1.7
311.05676	9.9
312.06406	5.8
313.07260	8.6
316.03705	0.6
317.04636	2.8
317.08005	1.2
318.05411	1.3
319.06125	3.0
319.09799	14.3
320.03241	1.0
320.06943	1.3
320.10440	2.3
321.04242	0.9
321.07697	1.6
321.11154	1.4
329.04517	1.6
330.05331	1.1
331.06107	1.3
332.03217	0.8
333.04099	4.5
333.07794	1.9
334.04501	0.7
335.09235	4.8
336.06445	1.1
336.10071	9.2
337.10886	33.4
338.11264	2.6
343.10031	1.1
345.07724	1.6
345.11697	0.7
346.04892	1.0
347.05566	3.9
347.09271	1.6
348.06207	2.0
349.07120	1.1
355.06082	0.8
357.07831	1.6
359.05322	1.1
361.07166	2.7
361.10974	0.9
362.07825	1.4
363.08679	1.1
371.09616	0.8
372.05988	0.7
373.11005	1.0
385.11044	1.1
386.07843	0.9
387.08505	0.8
389.10309	5.1
402.10684	1.3
403.11929	2.7
405.13547	11.0
406.13669	1.2
431.11511	3.2
432.12149	0.8
433.12985	11.0
434.13171	1.2
467.11224	2.3
483.92960	0.8
573.12775	0.8
632.16541	1.7
635.11841	0.9
640.13940	1.8
655.19769	2.4
658.14862	2.0
676.16016	8.4
677.16364	1.2
681.17639	6.0
682.18628	1.0
699.18964	10.2
700.19446	1.5
717.19934	100.0
718.20325	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21227	1.0
59.01253	2.9
71.09209	2.6
71.56828	1.1
88.25956	1.1
101.01485	1.2
109.87836	1.3
125.46114	1.2
129.11867	1.1
131.04944	2.5
137.02359	1.9
146.03647	1.6
149.06001	1.5
158.03668	2.5
159.04465	10.3
161.02380	2.2
161.06033	2.4
162.03195	1.9
173.02383	3.8
174.03200	2.1
175.03976	3.2
183.04463	1.6
185.06067	1.8
186.03171	6.2
187.03958	8.7
188.04698	5.2
189.01913	2.0
189.05345	1.9
190.02736	2.6
198.03270	1.7
199.03998	3.0
199.07579	1.5
200.04709	2.0
201.01941	8.6
201.05444	3.4
202.02681	9.6
203.03424	1.3
209.06059	1.8
211.03975	1.5
211.07610	1.5
213.01999	6.4
213.05560	3.6
214.02695	34.4
215.03412	10.7
216.04236	1.8
216.07648	1.2
217.01411	1.7
218.02284	1.7
224.04765	1.4
225.05566	2.9
226.02530	1.6
227.03545	5.6
227.07115	3.0
229.01497	8.7
229.05107	5.6
229.08751	1.5
230.02232	7.8
231.02904	1.8
231.06619	1.5
237.05531	1.4
239.03433	1.5
239.07043	2.9
240.04337	1.9
241.01451	12.0
241.03862	1.3
241.05020	2.8
242.02234	65.8
243.02959	19.3
244.03764	11.9
245.04361	1.7
246.01712	17.9
249.05618	1.6
253.05042	1.9
254.02315	2.4
255.02960	2.2
255.06653	2.4
256.07446	2.5
257.04675	2.2
257.08276	3.3
264.04456	2.1
265.05087	3.3
266.05637	1.3
267.03101	1.8
267.06677	2.2
268.03717	1.9
269.04434	2.8
270.01697	3.0
270.05237	1.4
271.02548	4.4
271.06201	2.0
272.03296	6.1
273.04044	6.8
277.05081	1.7
283.06195	37.7
284.06708	5.1
286.04904	4.1
289.05106	2.9
291.06842	2.3
291.10315	3.5
293.04562	3.5
294.05203	2.1
295.02716	2.1
295.06146	4.9
296.06586	1.3
297.07825	2.3
301.05075	2.7
303.06656	3.1
304.03851	2.4
305.04648	7.0
305.07672	1.8
306.09064	1.7
307.06305	2.1
307.09787	2.2
309.07614	2.6
311.05688	5.5
312.06360	7.5
313.07416	5.7
314.05853	1.8
315.06537	2.8
317.04568	3.4
317.08167	3.3
318.05212	2.1
319.02490	4.4
319.06143	4.9
319.09793	21.6
320.03262	3.1
320.06845	2.3
320.10364	5.4
321.03995	4.8
321.07483	2.4
321.11169	2.2
329.04465	2.8
329.08151	2.1
330.05341	2.7
331.06107	3.7
332.03305	1.9
332.06952	2.1
333.04065	12.8
333.07733	4.4
334.04694	1.9
335.09283	10.1
336.06366	2.2
336.10043	21.0
337.10876	51.6
338.11111	3.9
343.06079	3.4
343.09830	2.7
345.03912	1.5
345.07550	4.1
346.04825	5.3
346.08432	3.3
347.05606	9.8
347.09253	2.2
348.06427	5.6
349.07065	2.0
354.05243	2.2
357.07697	2.4
358.04828	1.5
359.05533	3.4
361.07230	34.0
361.11005	2.1
362.07687	4.6
363.08865	3.3
369.07620	3.2
371.05298	1.9
371.09351	4.8
372.06012	1.4
373.07144	4.0
373.11206	2.4
374.07928	2.8
375.08630	2.4
383.09637	1.9
384.10065	1.8
385.10788	4.5
386.07898	3.4
387.08322	6.5
387.12680	3.9
388.09375	2.9
389.10382	47.7
390.10715	4.4
391.07983	2.5
401.10315	3.6
402.11160	52.6
403.11707	13.7
404.12668	2.1
405.13574	14.3
406.13913	2.1
415.11609	2.2
430.10571	4.6
431.11456	11.4
432.12109	5.4
433.13022	12.7
434.13248	1.5
469.12943	1.7
485.16162	2.8
487.14117	12.3
488.14655	1.6
573.11981	1.5
589.11255	4.7
591.13568	1.6
612.13635	2.0
614.15778	2.4
617.11182	2.0
630.14838	2.5
635.11804	6.3
648.16394	1.3
658.14807	11.8
659.15204	2.5
676.15991	100.0
677.16302	18.1
681.17938	6.3
682.18408	2.0
699.18463	7.0
717.19824	54.0
718.20343	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	716.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
60.01599	0.1
61.98716	100.0
62.98417	0.1
69.72334	0.3
71.01278	0.4
72.01608	0.1
73.02842	0.1
83.01307	0.1
85.02861	0.1
87.00791	0.1
89.02321	0.4
90.02665	0.1
94.46510	0.0
95.01260	0.1
101.02361	0.3
102.02716	0.1
103.02803	0.1
113.02355	0.1
119.03402	0.1
125.02377	0.1
126.02734	0.1
134.02560	0.1
143.03490	0.1
161.04462	0.1
210.55429	0.1
235.08319	0.1
245.54924	0.0
250.93515	0.1
255.23322	0.5
256.23669	0.7
257.24005	0.3
397.13687	0.3
398.14005	0.4
399.14133	0.8
400.14313	0.5
415.14761	0.1
416.15115	0.1
417.15344	0.2
418.15417	0.1
628.12384	0.1
656.38824	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	1.0
65.86674	0.6
70.07571	0.5
70.24687	1.8
70.25081	1.2
80.75981	0.6
84.63869	0.5
123.00759	0.7
125.02370	0.5
131.04967	1.1
133.02893	0.6
138.94240	0.6
145.02811	0.8
146.03641	1.1
147.04457	0.6
149.02354	0.8
158.03679	3.1
159.04472	4.0
161.02348	2.9
161.06023	1.0
162.03227	1.2
171.04512	1.0
173.02380	2.1
174.03145	1.8
175.03925	2.1
183.04482	1.0
184.05417	0.8
185.02470	0.7
185.06073	1.9
186.03207	4.0
187.04041	4.0
187.07608	0.7
188.04765	5.4
189.01906	2.7
189.05475	0.8
190.02519	3.2
191.03551	0.7
195.13831	0.8
197.06085	1.3
199.03954	2.5
199.07649	1.1
200.04727	2.3
201.01884	6.9
201.05571	1.8
202.02705	7.1
203.03349	1.1
209.11809	1.8
211.04074	1.5
212.04752	1.1
213.01971	5.2
213.05490	3.8
214.02708	31.3
215.03465	9.3
215.07021	1.3
216.04230	2.5
218.02156	1.7
225.05498	1.1
227.03473	3.4
227.07121	2.7
228.07870	1.5
229.01450	3.7
229.05112	1.7
229.08574	1.2
230.02205	5.6
230.05826	0.9
231.02939	1.5
231.06621	7.5
238.06345	0.9
239.07137	1.7
240.04277	1.4
241.01472	5.3
241.05151	2.0
242.02235	25.3
243.02998	12.6
244.03737	5.4
246.01740	18.0
247.02039	1.7
249.05630	1.3
250.06351	0.9
253.05083	1.3
254.02252	1.0
255.03036	1.6
255.06683	2.7
256.03711	1.2
256.07370	2.6
257.08176	3.0
264.04346	1.5
265.05106	1.5
267.03110	0.8
267.06613	1.5
268.03836	1.4
269.04785	1.3
270.01819	3.2
270.05005	0.7
271.02499	4.9
271.06201	2.1
272.03354	4.6
273.04004	0.7
277.05145	1.3
279.06573	1.4
282.05234	0.9
283.06183	46.4
284.03442	1.4
284.06653	8.1
285.07550	1.3
286.04855	1.0
289.05426	1.1
289.08768	1.3
291.10284	2.3
293.04575	2.0
294.05466	1.3
295.06241	3.4
301.05164	1.1
301.08621	0.8
303.06476	1.1
305.04785	3.2
305.07901	0.9
306.05109	0.9
306.08893	0.9
309.07751	2.0
311.05685	7.5
312.06299	4.3
313.07257	8.7
315.06812	1.2
317.04492	2.1
317.07953	1.4
319.02808	0.8
319.06119	3.6
319.09796	15.9
320.03293	1.2
320.06857	1.3
320.10382	3.3
321.04211	1.1
321.07721	2.7
321.11118	1.0
329.04565	1.5
330.05240	1.4
331.06116	1.9
333.04099	6.3
333.07733	2.1
335.05728	1.1
335.09357	4.9
336.06641	0.5
336.10101	11.7
337.10895	36.3
338.11234	3.5
343.06131	1.3
344.06909	1.1
345.07782	1.8
346.04755	1.4
346.08524	1.5
347.05673	3.5
347.09433	1.6
348.06400	1.5
349.07080	0.9
357.07892	1.6
359.09433	1.1
361.07202	2.8
361.11212	0.9
362.08014	2.3
385.11078	1.8
386.07733	1.2
387.12631	1.4
389.10452	6.0
390.10828	1.4
402.11337	1.3
403.11835	2.3
405.13525	8.9
406.13971	1.2
431.11374	2.0
433.13019	12.4
434.13126	1.4
435.86877	0.8
467.11356	1.7
530.89307	0.7
573.28900	0.8
589.12274	0.8
632.16876	1.6
635.12244	0.8
640.14087	1.4
641.15009	0.9
655.19739	3.7
658.14673	2.1
663.16815	0.9
673.20758	0.9
676.15906	6.4
677.16119	1.3
681.17639	5.6
682.17340	0.9
685.34241	2.0
699.18719	8.5
700.19153	2.5
717.19916	100.0
718.20245	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	715.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01262	1.9
61.98725	0.6
65.19254	0.3
69.44946	0.5
69.45352	2.1
71.01267	1.1
75.00741	0.3
83.04903	0.4
85.02834	0.4
95.01318	0.3
96.95937	1.9
101.02332	0.4
111.08063	1.1
113.02379	0.3
125.02333	0.5
137.57059	0.3
149.06007	0.4
165.12808	20.5
166.13104	0.9
183.13867	86.3
184.14195	4.8
209.04529	0.3
209.11844	1.2
214.86716	0.3
227.12889	100.0
228.13200	6.0
245.09251	0.4
671.40875	0.4
726.80304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
59.01260	6.1
60.56344	0.6
61.86551	0.6
68.99693	0.9
70.02831	3.3
71.01274	9.3
72.99194	3.6
73.02798	0.6
75.00766	10.1
85.02372	0.8
85.02847	9.7
87.00789	4.5
89.02357	1.2
95.01263	2.1
99.00786	6.5
103.00276	0.9
110.26099	0.8
113.02357	8.0
115.00224	0.9
117.01813	1.2
126.13263	0.7
129.01938	0.7
165.12801	4.6
175.02425	2.3
183.13870	32.8
184.14221	2.1
209.11778	1.6
227.12872	1.1
245.23688	0.7
255.23329	56.3
256.23694	5.0
280.86365	0.9
372.72308	0.8
505.30615	1.6
539.39716	1.4
604.34198	0.8
653.42566	5.8
697.42517	0.8
715.42883	100.0
716.43176	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61823	0.8
52.97808	0.8
56.03732	0.9
59.01271	7.0
59.69857	0.8
71.01260	2.8
71.60535	0.9
72.99183	1.3
73.02821	1.0
73.65700	0.9
85.02829	2.7
89.02352	2.1
93.03352	14.4
117.03372	7.0
131.01276	1.0
137.02380	14.2
163.03951	1.4
173.02374	4.6
175.00311	8.2
176.00812	0.9
177.02016	0.9
190.00478	0.8
219.65565	0.9
269.04608	2.1
281.04611	2.4
282.05591	1.6
283.06183	6.6
293.04623	100.0
294.04971	9.4
311.05646	10.6
312.06033	1.2
323.05634	1.2
335.05725	1.8
341.06580	1.8
361.12820	1.0
413.08856	23.8
414.09201	2.9
457.11563	1.6
577.15747	71.3
578.15942	10.0
700.37506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.9
57.03321	0.7
58.00472	1.2
59.01264	28.1
60.01617	0.4
61.98700	0.9
62.74967	0.4
69.03340	1.1
71.01268	24.1
72.99177	2.3
73.02836	3.9
75.00770	0.9
81.03326	0.8
83.01270	2.1
85.02837	5.0
87.00772	4.8
89.02335	25.9
93.29123	0.4
95.01273	1.6
97.02846	3.8
99.00790	1.4
101.02341	21.8
102.02676	0.6
113.02349	7.8
115.03880	0.5
115.86846	0.3
116.98451	0.5
119.03414	6.4
121.02860	0.4
125.02366	5.5
131.03421	1.2
133.05029	0.4
139.03798	0.4
141.01830	0.6
143.03433	2.5
149.04449	0.8
161.04495	3.8
179.05560	4.6
185.04474	0.8
201.30388	0.4
217.07167	0.5
221.06641	1.8
235.08246	4.5
253.09209	2.0
253.21742	18.9
254.22035	1.3
261.23822	0.4
263.07721	1.2
287.07898	0.9
293.21124	0.5
305.08871	2.0
323.09900	0.5
368.19061	0.4
397.13593	42.8
398.13925	4.3
415.14658	100.0
416.15005	8.9
458.84012	0.4
514.23730	0.5
651.36627	1.3
739.85858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74210	0.2
59.01265	14.8
60.01599	1.5
61.01701	1.3
61.98719	100.0
69.46848	0.2
69.47140	1.6
71.01286	0.2
72.69836	0.2
175.72356	0.2
256.81076	0.2
277.21906	0.6
278.22141	0.9
279.22522	0.4
437.80075	0.2
705.57703	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4757
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
52.66899	0.1
54.01325	0.1
57.03320	0.2
59.01273	1.2
59.44863	0.1
65.30956	0.1
67.17510	0.1
69.61401	1.0
69.61811	0.2
70.82970	0.2
71.01274	0.4
83.01305	0.2
83.04925	0.3
85.02837	0.4
87.00796	0.2
89.02327	0.2
98.20496	0.3
101.02344	0.6
121.02882	0.4
135.04448	0.8
179.03442	0.7
209.04523	0.3
225.16154	0.4
252.02382	0.2
263.12167	0.2
307.40787	0.2
341.44196	0.2
401.10406	0.3
416.12656	0.2
417.86102	0.2
451.33011	0.4
533.18280	0.6
597.75531	0.2
649.02734	0.2
677.49817	2.5
678.50275	0.5
713.47504	100.0
714.47809	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	709.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01607	1.4
61.98713	1.0
71.01276	1.3
71.62736	0.5
73.02850	0.3
76.25009	0.4
90.13174	0.4
101.02377	0.6
110.82901	0.4
113.02342	0.6
125.02383	1.3
144.77821	0.4
151.00281	0.5
153.01877	0.4
178.99991	0.4
215.07187	0.7
243.06601	0.7
259.06177	3.1
275.27347	0.5
277.21783	81.8
278.22150	5.5
287.05667	2.0
294.30069	0.4
312.10098	0.5
389.21841	1.5
667.51166	0.5
702.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	1.0
71.01272	8.0
73.02853	3.6
73.78597	0.5
75.00788	0.9
78.74567	0.7
80.47479	0.5
83.01301	1.6
85.02834	6.0
87.00777	0.9
89.02365	1.0
95.01330	0.8
96.95900	0.5
98.19713	1.4
99.00792	2.0
101.02359	10.9
113.02374	3.7
125.12997	0.6
142.48833	0.6
143.03447	1.0
148.40265	0.6
158.42668	0.5
159.02994	1.3
161.04492	4.2
173.87837	0.6
207.06854	0.7
229.91245	0.8
235.11887	20.9
236.12274	1.1
277.12979	13.4
278.13431	1.1
321.12177	1.2
321.15564	1.0
397.80667	0.8
711.20642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68346	0.3
59.01264	100.0
60.01606	0.8
61.98712	0.5
71.01273	0.7
101.02364	0.7
150.88388	0.2
151.00354	0.5
155.10693	0.4
161.04437	0.5
201.11369	0.3
209.11801	1.3
227.03503	2.3
227.16637	0.6
228.03836	1.5
229.04027	0.9
255.03033	2.4
256.03357	2.1
257.03659	1.5
258.04312	0.3
263.20242	0.7
269.04660	1.0
277.21774	39.9
278.22113	3.1
284.03452	1.5
285.03677	1.4
286.03992	1.1
389.21964	0.9
709.31543	6.3
709.42560	0.3
710.31976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04288	0.1
52.40973	0.1
59.01266	100.0
60.01600	0.9
63.98035	0.1
70.62991	0.4
71.01284	0.3
71.62234	0.1
80.09108	0.1
101.02358	0.2
113.02399	0.1
114.87901	0.1
151.00316	0.2
152.99545	0.3
161.04544	0.3
201.11319	0.2
209.11867	0.3
277.21786	13.0
278.22122	0.8
376.99780	0.1
389.22168	0.4
524.91345	0.1
709.39807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79241	0.2
59.01260	4.2
60.52285	0.3
63.02279	1.2
65.00249	0.4
69.30246	0.7
69.30659	2.0
71.01262	2.5
72.99228	0.7
73.02860	1.0
75.00792	0.5
83.01294	0.6
83.04977	0.3
85.02843	2.2
87.00804	0.6
89.02322	1.6
95.01330	0.3
96.95935	1.1
99.00814	0.5
99.04473	0.7
101.02377	1.1
107.01273	1.5
109.02867	0.3
111.00832	0.4
113.02405	1.0
115.03965	0.5
117.03360	3.2
117.04082	0.3
119.03548	0.2
119.04935	0.3
121.02889	0.3
122.06075	1.1
123.00761	1.7
124.01611	1.1
124.19108	0.3
134.06061	0.8
135.04453	0.8
136.06712	0.3
136.07570	1.6
137.02498	0.4
147.00778	0.5
149.02426	1.1
149.04735	0.5
150.03180	0.8
150.05566	0.3
151.00301	1.2
159.04456	1.4
161.02431	1.2
164.07100	2.7
165.05573	0.8
169.06621	0.3
171.04478	0.3
179.03452	0.4
183.04533	1.0
191.08257	0.5
191.56691	0.3
197.06110	0.6
201.05563	0.8
205.12372	0.4
206.08234	0.5
224.04799	0.5
225.05598	1.7
227.03412	0.5
233.09332	1.2
239.03609	0.3
240.04387	0.7
241.05171	0.4
251.10355	2.6
267.02975	0.4
267.07388	0.3
268.03821	12.0
269.04599	100.0
270.04938	9.2
272.06979	0.7
287.09317	6.6
299.09241	0.4
301.11926	0.5
330.66238	0.3
381.14560	1.4
387.12329	0.4
413.08725	0.6
425.13681	1.4
431.09686	1.3
457.16287	0.9
485.23828	0.5
529.22864	1.8
559.14642	0.5
577.15894	1.2
617.21570	0.4
649.25104	0.5
659.23785	0.4
665.28046	0.4
677.23517	0.5
691.26514	1.2
709.19623	38.2
710.19958	7.1
710.30713	0.6
733.91895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86817	0.3
59.01262	65.9
60.01595	0.6
60.98690	0.3
64.75641	0.3
71.01260	2.8
73.02843	0.9
85.02850	1.0
89.02354	0.8
93.02656	0.3
99.00813	0.3
101.02360	1.2
113.02349	1.2
138.06786	2.0
153.09152	5.2
161.04523	1.7
178.32082	0.3
183.00110	0.3
207.13834	0.7
209.11871	0.3
211.13411	0.5
225.14958	9.7
226.15302	0.3
229.33640	0.3
277.21765	100.0
278.22125	9.2
279.23309	0.4
291.23508	0.4
319.22888	0.4
369.19321	0.5
387.20416	2.6
388.20203	0.5
647.41443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.1
59.01266	0.8
63.02277	1.5
64.99890	0.2
65.00187	0.9
69.62359	0.8
71.01266	0.5
73.02831	0.1
83.01283	0.4
85.02827	0.2
87.00799	0.1
89.02345	0.2
93.03351	0.3
96.95890	0.1
98.19858	0.2
101.02387	0.1
103.03674	0.1
105.03381	0.2
107.01297	1.8
113.02359	0.2
117.03370	3.4
121.02840	0.2
135.04431	0.2
148.01549	0.1
149.02350	1.3
151.00314	1.0
155.04988	0.2
157.06537	0.2
159.04453	1.4
161.02406	0.9
162.02676	0.1
169.06519	0.4
171.04510	0.3
173.05931	0.1
180.05746	0.2
181.06488	0.5
183.04497	1.0
184.04980	0.1
185.21867	0.1
196.05237	0.3
196.75600	0.1
197.06044	0.7
199.03979	0.2
201.05624	0.6
203.03499	0.1
213.05547	0.1
224.04817	0.4
225.05540	1.5
227.03580	0.7
239.03523	0.3
240.04315	0.4
241.05092	0.2
267.03073	0.2
268.03830	8.1
269.04602	100.0
270.04944	9.0
283.06128	0.1
291.06674	0.1
293.04654	0.2
311.05777	0.2
494.36856	0.1
529.22955	0.2
559.22742	0.1
563.14435	0.2
577.15570	0.4
709.19971	38.3
710.20319	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	705.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98716	1.4
66.57480	0.9
69.49269	3.7
69.49699	4.0
71.01276	5.5
73.02839	3.0
80.02550	0.9
83.04913	7.2
85.02836	1.1
87.18787	1.0
89.02370	1.3
98.19770	1.9
101.02348	3.3
101.09029	0.9
113.02348	2.2
119.03384	1.1
121.06550	1.1
123.04440	0.8
123.53451	0.8
125.06000	1.3
139.07611	1.0
161.04488	2.1
179.10765	4.2
205.12364	6.1
209.11818	16.8
253.09418	1.5
267.65271	0.9
273.22247	2.7
277.21793	61.3
278.22162	5.5
291.23383	24.4
292.23581	2.4
301.21729	1.5
319.22794	10.1
349.23969	1.9
525.34833	0.9
706.44983	1.1
731.90027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.8
61.98721	0.5
63.02284	0.5
65.00233	0.5
73.84476	0.4
76.10140	0.4
93.03349	0.4
107.01311	1.0
110.87543	0.4
116.02580	0.4
117.03371	0.7
125.02408	0.6
126.90351	0.5
149.76245	0.4
151.00282	1.9
153.01772	0.5
163.00356	0.5
172.66658	0.4
174.03242	0.7
174.80547	0.4
178.99831	0.5
183.04498	2.1
185.06061	0.4
187.04065	0.8
209.45068	0.5
211.04068	1.7
227.03500	78.3
228.03838	6.3
229.05142	0.6
239.03471	0.6
255.03026	100.0
256.03622	12.3
257.04391	1.4
277.21851	1.2
278.22128	0.5
284.03329	56.6
285.04010	16.5
285.07211	1.0
327.05215	1.3
398.80609	0.4
707.30896	88.0
708.31195	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	707.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03336	0.5
58.00480	0.4
59.01265	100.0
60.01582	0.9
69.12800	0.2
69.52522	1.6
71.01270	8.9
71.10941	0.2
72.99196	0.5
73.02836	3.0
81.16233	0.2
83.01283	1.8
85.02842	4.5
87.00782	0.5
89.02341	4.4
92.67616	0.2
95.01302	0.7
96.95976	0.3
97.02876	0.3
98.19815	0.4
99.00778	1.4
101.02350	9.3
102.02729	0.3
102.32484	0.2
111.00835	0.3
113.02364	4.3
114.02778	0.3
117.03387	0.2
119.03424	1.8
125.02414	0.3
129.01854	0.2
134.03735	0.2
143.03452	0.7
153.09193	0.6
159.02974	0.4
161.04500	3.3
179.05582	2.6
187.56723	0.2
191.02026	0.3
197.52776	0.2
205.12442	0.3
223.13443	0.5
235.11885	17.9
236.12219	0.9
259.64117	0.2
277.12985	12.4
278.13144	1.0
293.04803	0.2
307.05869	0.2
321.11954	1.0
321.15707	2.1
333.03970	0.3
335.05759	0.5
347.05774	0.4
365.06995	0.2
375.05313	0.4
385.18884	0.7
393.06079	0.2
405.06213	0.2
423.07333	0.4
543.11340	0.4
617.16553	0.2
659.16974	0.3
707.18042	3.0
708.18512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	15.1
60.01609	0.9
61.01680	0.4
61.98717	100.0
71.62384	0.2
72.51761	0.2
73.03549	0.2
83.16756	0.2
95.03083	0.1
284.38559	0.2
287.65475	0.2
337.67636	0.2
440.13013	0.3
441.14032	0.3
454.15009	0.2
469.14041	0.2
482.15463	0.5
483.15182	1.9
484.15527	2.4
485.16150	0.3
497.16992	0.9
498.17148	1.2
499.18350	0.6
500.18741	0.4
517.15656	0.4
542.16730	0.7
543.17108	0.7
555.18683	0.2
556.18530	1.0
557.18994	3.2
558.19305	5.8
559.19281	0.2
563.53015	0.2
574.15350	0.9
575.15948	1.5
588.17633	0.4
589.17389	0.5
643.22717	0.9
644.22876	3.2
645.23260	0.4
703.25024	1.8
704.25037	11.1
705.24792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01036	0.2
59.01271	1.8
60.34769	0.2
61.77523	0.2
61.98723	1.2
71.01273	0.8
71.60966	0.2
73.02808	0.3
85.02827	0.4
88.98710	0.3
89.02342	0.5
96.95892	1.0
101.02355	0.4
113.02312	0.3
161.04523	0.2
183.13850	0.8
188.01120	2.6
200.01097	0.6
209.05974	0.2
209.11772	0.8
218.21864	0.2
237.05652	1.1
241.68922	0.2
243.06685	0.4
253.05040	1.2
265.05170	0.4
268.03625	0.3
280.03729	0.3
281.04614	3.1
282.04910	0.3
292.03998	0.4
293.04605	17.8
294.05002	1.6
295.06146	0.9
296.06949	1.1
297.27237	0.2
307.06210	0.3
307.19299	0.4
321.07574	0.4
328.05920	1.8
329.06131	0.3
335.09256	0.9
336.10101	17.5
337.10519	2.1
351.12436	100.0
352.12753	12.5
352.19162	0.2
397.13345	0.3
415.14026	0.3
424.40839	0.2
673.34430	0.9
705.37543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08978	0.5
59.01264	9.9
60.73482	0.5
61.98713	7.8
71.01272	6.8
71.54589	0.7
71.54920	0.7
72.99178	0.6
73.02829	2.0
74.74352	0.5
75.00803	0.6
80.02567	1.7
81.03348	1.4
83.01308	1.2
83.04915	7.5
84.02068	2.1
85.02850	2.4
86.59959	0.5
87.00769	1.7
89.02343	5.5
95.04926	0.7
96.95925	2.0
97.06501	1.3
101.02348	6.8
105.60437	0.6
109.06512	0.8
111.08087	1.5
113.02349	2.8
125.05965	1.1
135.08076	0.8
145.04985	0.7
161.04503	2.4
163.11256	4.8
165.12799	12.8
166.13145	1.0
177.93723	0.6
179.05516	0.9
181.12323	0.6
183.13875	84.2
184.14227	4.4
191.10724	1.7
209.11819	97.5
210.12154	6.6
227.12875	12.2
228.13309	0.8
235.08235	1.5
245.11728	0.7
252.88345	0.6
253.09319	6.9
277.21872	0.7
295.82898	0.6
347.83945	0.6
351.12485	1.2
445.20944	1.7
463.21878	2.2
463.57571	0.5
465.53760	0.6
468.65964	0.7
547.54346	0.6
581.90613	0.6
587.82617	0.7
655.33301	1.5
673.34534	100.0
674.34894	18.1
705.37299	8.3
706.37592	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4495
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01261	3.1
66.75606	1.1
71.01263	3.6
73.53782	1.0
89.02318	3.0
101.02351	3.9
113.02336	1.4
116.92735	1.2
147.48410	1.3
161.04454	2.0
165.12784	7.9
183.13872	53.3
184.14197	1.7
187.93199	1.3
209.11778	3.0
227.12941	2.9
235.08412	2.4
253.09290	4.1
255.23328	100.0
256.23599	7.2
364.86438	1.2
445.20880	1.7
695.94385	1.5
701.44965	84.7
702.45142	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	701.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03339	1.7
58.00478	1.6
59.01267	30.2
60.09321	0.9
61.98724	11.2
69.03347	1.4
71.01270	14.5
72.99183	2.7
73.02833	5.5
75.00751	1.0
79.94005	0.6
81.03354	0.7
83.01266	1.9
83.04916	1.0
85.02843	11.7
87.00766	3.1
89.02347	9.1
93.03378	3.6
95.01275	0.9
95.04898	0.8
96.95897	1.5
97.02856	0.9
97.06501	0.7
99.00784	1.6
99.04420	0.9
101.02346	8.0
103.03918	3.4
108.02087	3.7
109.02882	7.1
111.00776	0.7
113.02338	2.1
113.74578	0.6
119.03398	1.9
119.04903	0.7
119.91749	0.7
121.02875	12.4
122.03676	8.8
123.04467	4.3
123.08092	3.2
124.01596	1.6
125.02355	2.0
129.01848	0.9
132.02078	3.2
133.01996	0.9
133.02899	9.6
134.03647	6.5
135.04489	4.9
136.01595	2.0
137.02385	3.6
139.03920	0.9
141.09157	0.7
143.04999	0.8
145.02872	2.0
146.03653	1.1
147.03003	0.6
147.03366	0.7
147.04477	5.6
148.03952	2.7
148.05090	0.8
149.02390	24.7
149.04390	1.1
149.06047	6.9
150.03174	57.8
150.06752	1.8
151.03792	2.9
152.01102	2.4
153.01846	1.6
153.09143	1.0
159.04465	2.1
160.05299	3.2
161.05998	4.4
162.03133	1.5
163.03951	4.2
163.06097	3.4
163.07408	0.8
164.04738	7.3
165.01817	0.9
165.05525	34.7
166.05838	2.1
167.03418	1.9
172.05194	1.9
173.06052	3.2
175.03955	1.1
175.07603	2.4
176.04684	0.9
177.05530	2.6
178.06131	0.9
179.07079	1.3
179.10718	0.8
180.04259	2.2
181.04996	0.6
187.07614	1.3
187.09714	7.7
188.04721	0.9
189.05551	4.6
190.06305	4.2
191.01942	2.0
191.07065	1.5
195.06602	11.2
203.07277	1.7
205.08701	2.8
209.06180	0.7
217.10825	1.9
228.46187	0.9
229.52211	1.0
231.12408	2.2
235.29317	0.7
258.50452	0.7
267.06671	1.1
269.08185	0.8
271.10782	0.9
281.08224	2.4
282.08887	1.1
283.09726	1.3
284.10449	0.9
295.09863	1.7
296.10568	3.0
297.11258	1.3
301.10983	1.6
309.11273	1.3
311.09570	1.2
311.12796	3.3
313.10962	0.9
314.08194	1.0
315.12509	2.7
323.13055	2.4
325.10724	1.6
326.11618	1.4
327.12460	1.0
329.14020	1.9
338.11731	0.8
341.10394	1.1
341.14059	13.0
342.14313	1.2
344.12555	1.4
367.14120	0.8
449.15955	1.1
461.15863	1.0
475.17841	1.0
477.19507	4.6
478.19583	1.2
489.19498	1.2
492.18069	2.2
493.18332	1.1
494.19778	0.9
505.21060	9.5
506.20407	1.5
507.20282	12.3
508.20447	1.2
509.21887	2.2
521.22015	6.5
539.25067	0.9
559.21924	1.5
653.26184	100.0
654.26532	19.6
665.26086	0.9
671.27301	15.1
672.28149	3.4
683.27191	9.9
684.28088	1.8
701.28247	23.0
701.38196	7.1
702.28210	5.9
702.38446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.6
71.01263	3.8
73.02837	1.7
77.49334	0.7
83.01306	1.2
83.04897	1.0
85.02858	1.4
87.00748	1.0
89.02328	2.9
97.06452	1.2
97.54664	0.9
101.02309	4.2
111.08046	0.9
113.02332	1.3
119.03391	0.8
131.94057	0.9
140.24730	0.8
161.04521	1.4
165.12825	6.8
175.44678	0.8
183.13873	55.1
184.14212	2.8
209.11824	2.8
227.12932	3.8
234.75290	0.8
235.08183	1.7
253.09419	4.3
253.21765	100.0
254.22076	10.0
255.23421	0.9
294.71039	1.0
445.20718	1.1
463.21942	2.4
489.30502	1.0
662.45038	0.9
695.19556	0.9
699.43402	69.9
700.43872	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	701.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08890	0.3
57.12920	0.3
59.01265	100.0
70.05534	1.3
73.86192	0.3
75.61162	0.3
77.03944	0.3
79.72681	0.4
81.65918	0.3
100.29099	0.3
142.56120	0.3
202.55090	0.3
243.32468	0.3
256.34268	0.3
423.10843	0.4
437.12543	0.5
438.13416	3.1
439.13791	0.9
447.27670	0.3
451.14331	0.7
452.14899	1.7
453.15414	0.8
467.13727	1.0
470.12265	0.4
479.13519	0.7
480.14304	0.7
481.15292	29.2
482.15628	6.6
484.13873	0.4
495.16867	10.8
496.17209	2.5
497.18594	4.7
498.18652	1.2
509.13934	0.4
514.15222	2.0
515.15497	0.4
523.16113	0.7
525.14459	0.8
539.15717	2.5
540.16608	7.5
541.16638	1.5
551.19769	0.5
553.17194	0.5
554.18066	3.0
555.18982	47.3
556.19220	10.5
567.19025	0.6
572.15631	15.5
573.15955	2.9
586.17047	6.3
587.17487	1.5
599.21570	0.4
609.20099	1.3
627.21350	1.6
641.22699	24.3
642.23016	6.9
658.19635	0.4
701.24823	65.9
702.25079	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	699.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
55.68484	0.3
57.03336	2.0
58.00470	1.3
59.01265	43.9
59.11723	0.4
60.01607	0.4
67.62963	0.4
68.99720	0.7
69.03349	0.9
69.62718	2.1
69.63129	0.6
71.01272	20.4
72.99200	4.3
73.02833	1.3
75.00764	10.1
81.03336	0.5
81.92794	0.3
83.01276	1.2
83.04922	0.5
84.02034	0.3
85.02843	14.7
87.00777	4.4
88.99837	0.3
89.02338	9.9
90.02647	0.4
90.84320	0.4
91.03892	0.5
92.10892	0.4
93.03320	0.4
95.01293	3.4
96.95939	0.8
97.02896	0.4
98.20481	0.4
99.00777	6.9
99.04424	4.8
101.02340	5.2
103.00275	1.7
109.02884	0.4
111.00786	0.7
112.27450	0.4
113.02356	17.6
114.02739	0.5
115.00275	1.2
117.01825	1.5
119.03419	2.1
125.02316	0.5
128.32635	0.3
129.01828	1.2
129.16876	0.3
131.03351	0.4
149.04478	0.5
149.06023	0.5
152.01021	0.7
157.01340	0.8
165.12788	1.1
175.02509	1.8
175.43883	0.4
182.02196	0.4
189.04077	0.7
189.12830	2.7
193.05069	0.6
195.06560	0.5
203.98737	0.4
205.07133	1.1
207.05205	0.5
207.13899	4.6
209.09923	0.6
209.11823	10.2
210.12158	0.7
225.14999	1.1
231.05066	1.4
249.06197	14.9
250.06560	0.6
251.12910	1.7
267.07266	10.1
269.14001	4.3
309.08371	3.8
327.05133	0.5
343.12012	0.7
343.17526	1.0
345.08157	0.6
391.14172	0.4
405.17398	0.4
501.19995	1.5
519.20947	16.2
520.21313	2.1
681.26123	1.2
699.27313	100.0
700.27563	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	697.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99170	4.8
59.01279	33.1
61.98703	16.8
64.40824	4.9
64.98467	4.8
71.01257	21.0
71.40856	10.5
89.02332	19.4
90.39285	5.2
96.95924	7.3
97.02874	4.9
98.54292	4.9
101.02345	14.7
111.55064	5.1
113.02361	9.9
118.62127	5.4
125.02381	5.6
179.05547	6.7
183.80942	5.2
209.11703	8.9
226.01729	5.6
235.08305	8.9
235.49582	4.8
253.09137	6.6
263.20181	42.8
295.86490	5.6
397.13519	100.0
398.13898	7.4
415.14737	25.7
506.91553	5.1
546.17328	6.1
566.41034	5.4
642.41577	5.6
661.34424	13.0
697.32019	69.9
698.32770	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	699.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.3
61.98720	0.9
63.83039	0.1
64.91992	0.1
65.00228	0.1
68.99706	0.1
69.82418	0.1
71.01267	0.8
71.11809	0.2
72.99194	0.2
73.02843	0.4
75.00754	0.2
81.32381	0.1
83.01266	0.2
83.04869	0.1
83.20861	0.1
85.02841	0.6
87.00806	0.2
88.98692	0.1
89.02335	0.6
95.01290	1.9
96.95911	0.5
101.02342	0.5
103.03917	0.3
107.01299	0.2
108.02109	0.1
108.07336	0.1
113.02366	0.5
116.17165	0.1
117.03412	0.2
119.03397	0.3
120.78566	0.1
123.00803	19.0
124.01084	0.5
130.63438	0.1
143.03487	0.2
149.02448	0.2
151.00334	0.6
154.65781	0.1
158.03650	0.1
163.06061	0.5
165.05550	0.1
167.03506	0.1
175.03989	0.1
182.22661	0.1
183.04390	0.1
205.07101	0.1
213.67026	0.1
225.05666	0.1
227.03581	0.2
239.03392	0.1
240.04390	0.2
252.04315	1.3
253.04996	0.3
255.03029	6.0
256.03677	1.2
266.05850	0.3
268.03818	1.1
269.04608	20.8
270.04965	1.5
277.05084	0.8
278.05637	0.2
279.06561	0.8
281.04492	0.2
284.03421	0.2
291.06796	0.6
292.07297	0.2
303.06735	1.1
304.07193	0.4
305.08173	0.2
306.05542	0.1
319.05988	0.7
320.06683	0.1
331.06192	1.0
332.06873	0.6
333.07727	0.5
347.05594	1.4
348.06396	1.6
349.06787	0.1
359.05673	1.2
360.06430	2.8
361.07187	4.3
362.07706	0.3
375.05066	0.8
376.05960	15.9
377.06372	1.9
390.07794	0.2
391.08322	100.0
392.08649	10.9
405.09760	0.1
413.10159	0.1
433.09393	3.3
434.09903	0.3
475.10336	0.2
579.15289	0.5
699.19183	2.5
699.39404	0.3
700.19464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	0.9
61.98717	0.6
70.76733	0.4
82.97041	0.1
91.83708	0.2
96.95929	0.4
109.43284	0.1
110.50199	0.2
121.02869	1.4
148.22861	0.1
181.06534	0.2
191.03461	0.8
192.42435	0.2
196.30615	0.2
209.04486	1.3
213.40579	0.2
217.00383	0.2
304.05139	0.2
350.25714	0.2
455.11847	0.2
561.73163	0.2
575.12671	0.2
593.13086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.46
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42178	0.1
57.57879	0.1
59.01264	100.0
60.01598	1.0
61.98712	0.4
70.85755	0.1
71.01270	0.2
71.27942	0.3
78.95819	0.1
83.70160	0.1
85.02852	0.1
101.02388	0.2
113.02385	0.2
118.75192	0.1
152.99512	0.1
157.59035	0.1
161.04471	0.1
167.03067	0.1
170.68118	0.1
184.07564	0.1
218.21606	0.1
277.21786	7.6
278.22128	0.8
373.22388	0.2
413.07593	0.1
433.24100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80016	0.3
59.01265	100.0
60.01603	1.2
61.98714	1.8
73.88777	0.3
152.99594	0.3
205.81107	0.3
209.11916	0.4
214.76582	0.3
220.63589	0.4
228.50218	0.3
229.28461	0.3
277.21783	12.1
278.22183	1.3
386.99240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26574	0.3
58.23825	0.2
59.01266	100.0
60.01604	0.8
61.98721	3.3
69.51245	1.1
69.51671	1.3
78.95797	8.6
83.39507	0.3
84.37658	0.2
98.19823	0.6
141.56799	0.3
205.16095	0.7
222.50162	0.2
279.23340	0.9
446.93970	0.3
517.22333	0.3
593.70361	0.3
653.30109	0.4
695.31329	34.7
696.31677	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	695.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03332	3.5
58.00486	3.1
59.01266	97.6
68.12533	0.6
69.34935	0.6
69.40817	3.8
69.41243	2.7
71.01273	43.2
72.99197	5.3
73.02837	8.6
75.00767	1.9
81.03341	0.7
83.01286	4.1
83.04936	1.0
85.02842	9.4
87.00782	2.1
89.02341	30.3
95.01305	2.6
95.04932	0.8
96.95916	3.5
97.06488	0.9
99.00793	1.3
99.04428	21.2
99.05084	1.0
101.02351	21.5
107.08572	1.7
109.06481	1.2
111.04456	0.9
113.02354	13.0
114.02724	0.9
119.03400	9.1
119.04936	1.4
121.06506	1.2
125.02335	0.9
131.03421	1.6
143.03430	1.7
147.07974	0.7
149.04501	1.4
150.03127	0.7
161.04526	3.0
163.03934	0.8
165.12779	3.8
179.05600	3.4
189.12845	7.1
207.13925	10.8
208.14230	0.9
209.11819	60.7
210.12111	3.5
251.12886	3.6
254.02254	2.7
267.07239	0.9
269.04608	3.1
269.14050	0.8
270.04993	0.8
284.07004	1.7
346.73489	0.7
367.70129	0.7
389.18292	3.9
395.98129	0.7
417.70844	0.7
447.13287	1.4
489.14108	2.8
490.14597	0.7
497.24057	10.0
498.24512	1.2
503.25192	1.5
515.25092	100.0
516.25507	12.1
563.13873	0.9
586.36279	0.9
663.25092	0.9
677.29669	1.7
695.31598	85.4
696.31854	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	691.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17519	0.6
58.44405	0.7
59.01264	100.0
60.01620	1.3
61.98726	0.8
69.05253	0.7
71.56992	1.1
78.95795	4.7
82.48785	0.6
83.31350	0.6
88.53093	0.8
116.92754	1.0
139.24628	0.8
147.31238	0.7
152.99559	4.8
165.12843	1.2
171.00610	0.8
183.13948	3.1
209.11819	1.2
227.12874	1.6
253.21957	0.7
260.49219	0.8
277.21762	20.6
278.22226	1.4
415.21994	0.9
455.17032	3.8
482.29483	0.8
636.46747	0.8
691.37677	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	693.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73162	0.3
59.01261	1.1
63.02279	2.8
65.00208	5.6
71.01254	0.4
71.61305	0.4
78.72858	0.3
83.01270	3.7
93.03360	6.1
107.01290	10.7
119.04942	25.5
120.05276	0.9
121.02832	0.4
125.02359	0.7
127.58950	0.3
129.19504	0.3
145.02937	0.3
151.00305	34.2
152.00638	1.0
165.01872	1.9
169.01401	2.7
175.00252	0.8
177.01889	5.3
184.52087	0.3
193.01387	0.6
227.07091	0.7
246.06822	0.3
271.06174	100.0
272.06506	7.9
277.21793	2.7
278.22183	0.3
295.06281	0.4
313.07205	1.0
522.80933	0.3
628.02014	0.3
693.32874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.0
61.98714	0.3
69.62767	1.0
71.01257	0.3
87.73320	0.1
101.02351	0.2
102.43823	0.1
109.33936	0.1
113.02339	0.1
119.16470	0.2
131.27385	0.2
199.52213	0.2
272.72601	0.2
277.21799	6.7
278.22290	0.6
373.83835	0.2
457.18600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77899	1.5
70.49627	3.4
70.49997	2.4
78.95797	54.0
96.96860	6.0
99.63249	1.4
111.08049	2.0
152.99522	100.0
165.12799	37.0
166.13127	3.1
171.00633	9.1
183.13885	96.4
184.14191	5.1
208.75166	1.6
209.11809	5.6
227.03250	5.5
227.12906	28.1
228.13213	1.6
245.04398	2.3
253.21858	2.2
277.21664	2.0
345.11420	2.0
363.12286	5.3
437.15866	20.0
438.16046	1.9
455.16962	52.7
456.17126	3.6
582.58698	2.2
648.61963	1.6
691.38495	76.6
692.38995	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	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.4
57.03325	1.6
58.00478	2.3
59.01263	57.5
61.98716	1.6
69.03335	3.0
70.80282	1.0
70.80634	1.6
71.01269	48.2
71.04898	4.6
72.99191	3.2
73.02827	6.2
75.00748	1.7
78.95792	1.1
79.15546	0.8
81.03360	1.8
83.01289	4.2
83.04921	1.0
85.02837	10.0
86.15505	0.6
87.00769	11.3
88.98742	0.8
89.02338	35.9
93.03388	0.8
95.01298	3.4
96.95896	2.8
97.02857	7.7
99.00784	2.7
101.02345	35.6
102.02725	0.8
103.65946	0.7
109.02857	1.1
111.04443	1.5
113.02357	17.9
115.03928	1.4
119.03407	11.4
125.02361	14.0
127.03930	0.8
131.03442	1.8
133.04942	1.3
139.03929	1.2
143.03468	7.0
149.04523	1.2
157.98865	0.6
159.02904	0.8
161.04494	6.3
167.03452	1.1
174.55544	0.8
179.05536	8.0
185.04349	1.0
192.92630	0.7
203.05751	0.8
209.11874	0.8
209.15450	1.4
217.07181	0.9
221.06610	2.5
221.15440	0.8
223.16922	3.8
231.21149	1.4
235.08229	14.4
235.17046	25.4
236.17447	2.2
237.18604	1.1
241.96219	0.7
245.06596	1.0
253.09271	4.7
263.07819	1.7
275.20230	25.3
276.20648	2.1
277.09375	1.5
287.07861	2.6
293.21283	100.0
294.21603	9.5
305.08755	4.1
323.09912	1.8
379.12537	1.0
397.13571	97.4
398.13971	7.4
415.14655	48.6
416.14963	3.5
691.35657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
55.81995	0.1
57.03318	0.6
58.00481	0.7
59.01263	15.9
61.98699	0.6
63.41690	0.1
68.99709	0.2
69.03323	1.0
71.01268	13.7
71.04891	0.2
72.01600	0.1
72.99205	1.3
73.02835	2.3
75.00761	0.4
81.03324	0.5
83.01274	1.3
84.02045	0.2
85.02363	0.2
85.02840	2.7
85.99960	0.2
87.00774	2.8
89.02337	10.7
90.02647	0.3
91.03896	0.2
93.39720	0.1
95.01316	0.7
95.04914	0.3
96.95883	0.6
97.02842	1.6
99.00805	0.8
101.02346	10.2
103.00263	0.3
107.34959	0.2
109.02812	0.2
111.00790	0.3
111.04426	0.4
111.08010	0.3
113.02353	5.2
113.09631	0.4
115.03909	0.3
119.02606	0.2
119.03417	2.7
123.04387	0.2
125.02364	3.1
127.03917	0.2
131.03432	0.5
133.05020	0.3
134.01285	0.1
137.02388	0.2
139.04004	0.2
141.01859	0.2
143.03419	1.8
149.02408	0.1
149.04446	0.3
161.04497	2.2
167.10805	0.2
177.12801	0.2
179.05571	2.6
179.12993	0.2
179.14294	1.0
181.12308	0.3
185.04436	0.4
195.13884	7.8
196.14429	1.0
205.12321	0.7
205.15952	0.3
209.11911	0.2
211.13307	0.6
217.07173	0.2
221.06688	0.9
223.13397	5.6
224.13866	0.3
228.13666	0.6
229.21031	0.2
231.21161	0.4
235.08257	3.3
236.08484	0.2
249.22192	0.2
253.09363	1.2
256.13107	0.7
263.07782	0.6
265.21811	0.4
275.20209	4.5
276.20444	0.3
277.09290	0.3
287.07831	0.6
293.21283	100.0
294.21603	9.3
305.08868	0.8
323.09793	0.5
393.17230	0.2
397.13589	23.3
398.13904	2.7
415.14658	26.5
416.15042	1.9
599.38788	0.2
638.14020	0.2
654.27551	0.7
691.35004	0.9
692.36346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24148	0.1
58.00495	0.1
59.01265	2.2
61.98710	0.6
69.60125	0.9
71.01266	1.0
73.02841	0.2
75.00760	0.3
78.95786	0.2
79.95627	2.4
83.01283	0.2
85.02850	0.3
87.00723	0.1
89.02341	0.3
96.95911	100.0
97.95847	0.5
98.20557	0.2
99.00788	0.2
101.02344	0.5
113.02369	0.4
114.93292	0.3
116.92728	0.1
123.50372	0.1
125.02303	0.1
141.01617	0.3
161.04532	0.4
171.10255	0.1
183.76982	0.1
207.10251	0.2
209.11835	0.4
225.11255	0.2
264.50421	0.1
332.85580	0.1
335.19324	0.2
354.76151	0.1
365.19724	0.2
381.23386	0.2
483.25836	0.2
487.32870	0.9
525.27655	0.3
547.35284	0.2
552.88739	0.1
574.85394	0.1
585.29742	0.3
603.31348	0.3
689.32928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38607	0.2
57.03322	0.3
57.35651	0.2
59.01269	2.3
61.98706	0.9
66.42180	0.2
71.01277	1.5
71.47498	0.5
72.99180	0.2
73.02823	0.4
75.00756	0.6
83.01261	0.3
85.02845	0.7
87.00742	0.2
89.02324	0.7
93.03360	0.2
96.95900	1.9
99.00800	0.2
101.02367	0.5
109.02859	0.3
113.02341	0.8
116.92757	0.3
119.67274	0.2
121.02856	0.2
131.39192	0.3
133.02901	0.4
134.47156	0.2
137.02428	0.3
149.02367	0.4
150.03137	0.2
151.03918	0.2
165.05486	0.3
167.03505	0.2
171.09871	0.2
183.13879	0.5
208.34074	0.2
209.11813	1.3
225.05598	0.3
226.06404	0.3
227.12782	0.3
238.06306	0.6
241.05080	0.6
253.05133	1.6
254.05742	1.5
256.07526	0.4
268.03769	0.3
271.09833	0.6
281.04614	2.7
282.05374	4.3
283.05850	0.6
286.04770	0.2
293.04602	3.2
294.04950	0.3
314.04355	5.0
315.04752	0.5
319.11816	0.3
322.08319	0.3
337.10883	100.0
338.11221	12.0
515.28210	0.3
679.01208	0.3
690.77777	0.2
691.27545	1.4
692.29279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.6
57.03337	1.2
58.00504	1.0
59.01265	38.0
60.01597	0.6
61.98708	2.5
69.03346	1.6
71.01270	29.1
71.04897	1.9
72.99200	2.6
73.02838	4.1
75.00767	1.1
77.60297	0.5
81.03345	1.8
82.19867	0.5
83.01263	3.0
83.04911	1.0
85.02843	7.3
85.12811	0.6
87.00776	6.3
88.98724	2.7
89.02337	24.1
95.01275	1.9
96.95889	2.9
97.02855	3.3
99.00774	1.6
101.02344	22.0
111.04440	0.6
113.02367	10.9
117.05648	0.6
119.03410	7.1
125.02366	8.6
131.03345	0.7
133.05022	0.7
137.99872	0.6
139.03877	0.6
140.24081	0.5
141.01782	0.8
143.03442	5.0
149.04488	1.0
151.55960	0.6
157.62337	0.6
161.04486	5.4
164.97037	0.5
167.03523	0.7
173.04601	0.5
177.16534	0.7
179.05539	5.0
179.71443	0.6
183.13847	0.7
191.18057	0.9
209.15428	1.0
221.06693	2.1
231.21188	1.8
235.08264	7.3
235.17049	37.5
236.17427	3.1
253.09265	2.5
259.16882	0.6
263.07751	1.1
274.91397	0.6
275.20212	48.0
276.20636	3.0
287.07788	1.8
293.21295	100.0
294.21585	10.8
305.08777	2.3
323.09821	1.3
324.40414	0.7
379.12564	0.9
397.13602	71.2
398.13785	6.0
415.14673	42.0
416.15091	3.6
421.80099	0.7
452.10110	0.7
481.38522	0.6
647.35077	0.7
647.49652	0.7
673.35236	0.7
691.41962	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	685.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91053	13.4
59.01245	13.3
69.59232	100.0
72.12844	12.9
78.95781	17.2
83.50601	13.6
120.09033	14.2
125.09574	14.7
141.91060	14.8
173.19858	14.1
182.12462	12.3
199.54959	11.3
209.11766	23.2
233.05817	12.8
277.22092	15.7
279.23151	29.7
341.26749	15.9
576.17657	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	687.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.0
57.09937	0.2
58.00467	0.3
58.03672	0.3
59.01264	6.5
61.98714	4.0
67.01778	0.3
68.60395	0.2
68.99717	0.5
69.03361	0.4
71.01271	10.1
71.62154	0.3
72.99195	3.4
73.02835	0.9
75.00764	8.8
83.01299	0.6
83.04937	0.5
84.02060	0.3
85.02843	10.1
87.00776	3.8
89.02327	1.7
95.01287	2.7
96.95911	0.6
97.06464	0.5
99.00784	7.7
101.02351	0.9
103.00284	1.3
111.00791	0.6
111.08054	1.2
112.01546	0.4
113.02363	9.2
114.02676	0.3
115.00303	1.4
116.92757	0.4
117.01860	1.5
127.03928	0.7
129.01881	0.7
131.12549	0.2
137.09717	0.3
152.61421	0.2
157.01331	0.4
163.11200	0.4
165.12798	12.4
166.13141	0.7
175.02438	1.7
180.57094	0.3
183.13872	89.0
184.14201	5.2
193.03580	0.3
205.07268	0.4
209.11824	2.0
211.13339	0.4
214.35867	0.3
227.12906	4.8
228.13254	0.4
249.06197	1.1
268.85556	0.3
301.16666	0.7
415.19974	0.8
459.18890	0.7
477.19940	1.2
493.27856	0.3
511.29181	3.8
512.29437	0.6
625.32538	5.0
626.32996	0.8
643.33307	0.7
651.60693	0.3
669.31598	2.6
670.31714	0.4
687.32434	100.0
688.32849	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	685.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35507	0.3
55.81830	0.3
57.03327	1.0
59.01259	4.5
61.98710	1.8
69.64046	2.2
71.01275	1.9
72.99185	0.5
73.02805	0.6
75.00762	0.5
76.24522	0.3
83.01310	0.3
83.04922	0.4
85.02825	1.6
87.00769	1.5
88.98668	0.6
89.02331	1.0
93.03345	1.2
95.04845	0.3
96.95898	1.4
97.06480	0.6
98.20515	0.6
99.00780	0.4
99.04431	0.7
101.02350	1.4
111.04430	0.8
111.08068	0.6
113.02325	1.0
118.33559	0.3
119.03372	0.4
120.01053	0.3
123.04395	0.5
123.08069	0.8
125.02339	0.7
127.11177	0.5
128.55815	0.3
135.08072	0.9
136.05255	0.7
137.02371	3.0
137.05994	0.4
137.09630	0.7
141.09172	0.3
149.04526	1.1
149.05995	1.7
150.06799	33.0
151.07352	1.1
153.09143	0.3
155.10622	0.6
160.82721	0.3
161.04575	0.3
161.09604	0.7
162.06781	0.9
163.03836	0.3
163.07584	5.5
164.08368	6.8
165.01945	0.5
165.05492	0.6
165.08995	0.4
167.07005	0.3
176.08363	0.7
177.09114	0.8
178.09894	1.4
179.10739	16.7
180.11069	0.7
181.05083	0.4
184.11081	0.4
193.08859	0.3
195.06572	0.3
201.11349	0.7
229.10767	0.5
278.19061	0.4
292.20361	0.4
306.18475	1.3
315.01550	0.4
320.19943	0.5
321.20679	0.7
341.23306	0.9
343.21326	4.6
345.06030	0.5
364.22525	0.7
444.28693	0.4
459.31406	0.7
462.30103	2.0
463.30490	0.5
476.31735	0.4
477.32346	7.9
478.32718	1.2
504.30960	1.3
505.32016	2.2
522.32196	2.3
523.32849	26.0
524.33252	3.6
685.38165	100.0
686.38531	16.7
686.50757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.9
59.00960	2.5
59.01263	51.8
59.43470	1.4
61.98721	11.9
62.19332	1.5
70.59608	3.2
71.01268	61.9
72.99207	3.7
73.02823	11.3
83.01299	4.0
85.02850	16.0
87.00788	2.7
89.02336	45.5
94.28138	1.5
95.01278	3.7
96.95945	3.1
97.02837	2.7
99.00805	4.3
101.02345	29.7
113.02347	20.1
119.03436	10.1
125.02331	4.2
131.03412	9.6
143.03432	2.9
149.04485	10.8
161.04477	8.3
179.05560	2.5
184.28285	1.6
191.05588	2.2
222.82199	1.6
293.08783	1.8
297.12805	1.6
311.24356	2.0
489.27405	3.3
489.34467	60.1
490.34970	8.6
508.19318	1.8
621.38641	100.0
622.39130	20.2
687.82874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
59.01266	4.1
61.98708	1.6
71.01273	2.1
71.60757	0.3
72.99190	0.5
73.02822	0.6
73.21292	0.2
75.00735	0.4
78.07192	0.3
79.88734	0.3
84.70018	0.2
85.02837	1.3
87.00755	1.3
88.98696	0.4
89.02334	1.1
93.03345	1.1
96.95906	1.3
97.06498	0.6
99.04436	0.7
101.02350	1.2
111.04385	0.3
111.08051	0.4
113.02346	1.2
113.05985	0.3
123.04379	0.5
123.08065	0.9
125.02341	0.8
127.11199	0.4
133.06499	0.3
133.84726	0.3
135.08073	0.8
136.05229	0.7
137.02356	2.6
137.05988	0.5
137.09616	0.4
141.09224	0.3
148.05264	0.2
149.04561	0.8
149.06015	1.6
149.09628	0.3
150.06808	32.5
151.03989	0.4
151.07486	1.4
155.10683	0.8
161.04483	0.3
161.09671	0.8
162.06825	0.7
163.07590	5.7
164.04607	0.3
164.08380	6.1
165.05542	0.8
165.08763	0.3
171.10156	0.6
175.04077	0.4
176.08414	0.8
177.09163	0.7
178.09969	1.3
179.10739	17.8
180.11105	1.1
181.05078	0.4
181.34616	0.3
184.11035	0.4
187.45604	0.3
189.09195	0.3
193.08653	0.2
195.06631	0.5
199.72136	0.3
201.11134	0.4
212.73903	0.3
221.11826	0.4
229.10751	0.4
269.51471	0.3
288.17398	0.3
306.18405	0.9
320.20096	0.8
321.20718	0.7
335.22363	0.4
341.23547	0.7
343.21326	4.6
344.21790	0.3
345.06253	0.5
348.46170	0.3
350.21121	0.4
351.21686	0.3
364.22531	0.9
441.30151	0.3
459.31454	0.7
462.29791	2.0
476.31345	0.4
477.32278	7.0
478.32507	0.9
504.30853	0.9
505.31766	2.5
521.32007	0.4
522.32007	2.2
523.32867	27.1
524.33148	4.4
584.52966	0.3
615.91669	0.3
655.24719	0.3
685.38171	100.0
686.38525	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	681.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
57.03323	2.6
58.00483	0.8
58.45552	0.7
59.01264	32.8
61.98709	0.7
67.01781	1.1
68.99683	1.0
69.03324	1.1
69.77683	3.7
71.01267	26.4
72.01609	0.9
72.99196	4.6
73.02818	3.2
74.45645	0.7
75.00758	7.8
83.01244	1.5
83.04900	0.8
85.02843	19.3
87.00773	5.7
89.02333	11.5
91.03923	0.6
95.01303	4.1
96.95927	1.7
99.00163	0.9
99.00773	7.6
99.04417	7.1
99.92476	2.5
100.04871	0.6
100.82786	0.7
101.02331	5.5
103.00264	1.5
107.08588	1.3
110.50442	0.7
111.00753	1.2
113.02359	25.7
114.02680	1.2
115.00303	1.8
116.92772	24.4
117.01836	3.4
117.92749	1.6
119.03413	2.4
121.06508	1.5
129.01857	1.4
130.01091	0.6
131.03436	1.0
133.08972	0.7
135.94365	0.7
148.95013	0.7
149.04514	0.7
157.01408	1.6
157.40041	0.7
160.03934	0.7
171.11656	0.8
175.02385	2.1
179.05568	0.9
189.12837	10.0
207.05081	1.4
207.13928	5.8
246.14149	0.6
249.06201	9.4
250.06554	0.9
251.12993	2.9
257.12683	0.7
267.07254	27.1
268.07599	2.0
269.04480	2.5
269.07349	0.9
291.11380	1.1
325.16492	0.8
325.20462	0.7
369.22681	0.8
457.20657	0.8
462.39218	0.8
483.18289	0.9
501.12387	1.3
501.19830	25.8
502.20108	2.3
519.20093	1.1
524.20184	1.0
549.28973	1.6
563.14178	1.9
631.24249	1.3
639.79553	0.8
663.25439	1.0
681.26154	100.0
682.26508	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	681.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.5
59.01265	100.0
60.01591	1.2
61.98719	3.8
69.03352	0.5
69.37649	0.4
70.76337	0.4
71.01271	6.3
71.59760	0.5
72.72346	0.4
72.99184	0.6
73.02838	2.4
75.00756	0.6
78.03165	0.5
81.03358	0.5
83.01286	2.0
85.02836	5.0
88.98685	0.6
89.02355	1.5
95.01318	0.6
96.95897	2.8
99.00790	1.2
99.04319	0.6
101.02330	4.6
113.02354	2.8
125.02365	1.1
125.24004	0.5
133.06592	0.8
143.03531	0.6
161.04478	0.9
163.03992	0.5
165.05536	0.4
232.55600	0.5
293.04608	0.6
299.26074	1.5
443.30261	19.7
444.30795	2.1
461.31342	6.7
462.32031	0.9
485.31281	2.8
503.32324	7.0
504.32947	0.7
517.11926	0.6
527.32813	1.0
528.33356	0.6
545.33191	2.3
552.85071	0.5
563.34546	3.0
564.35333	0.6
681.36530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.8
57.03315	0.5
58.00481	2.0
59.01265	34.9
60.01596	0.5
61.92559	0.3
61.98716	0.5
68.99682	0.4
69.03355	1.9
71.01267	34.0
72.99206	2.9
73.02836	5.5
74.90859	0.3
75.00760	0.9
81.03332	1.4
83.01279	3.9
85.02838	6.8
85.99986	0.4
87.00762	7.4
89.02336	27.0
90.02662	0.5
91.03872	0.6
93.03325	0.4
95.01302	2.0
96.64739	0.3
97.02853	6.0
99.00768	1.9
99.04417	0.7
101.02345	26.2
103.00303	0.4
111.00780	0.7
111.04397	1.2
111.45352	0.3
113.02356	12.3
115.03940	0.5
119.02597	0.4
119.03423	8.4
121.02907	0.5
125.02374	12.7
126.02678	0.4
131.03419	1.4
133.04987	1.0
139.03952	1.0
141.01854	0.7
143.03430	5.7
149.04466	1.3
161.04501	5.6
167.03442	0.7
171.54205	0.3
179.05576	6.4
185.04524	0.8
199.06139	0.7
203.05531	0.8
217.07166	1.2
219.04895	0.4
221.06670	2.0
235.08247	13.0
236.08669	0.5
253.09286	2.4
263.07715	1.2
265.11868	0.4
276.27304	0.4
277.09363	0.7
281.24905	100.0
282.25266	9.1
287.07803	3.6
305.08823	3.9
323.09888	1.6
361.11456	0.4
379.12619	1.1
394.15927	0.4
397.13577	84.8
398.13916	6.7
415.14639	33.5
416.14810	2.9
679.39185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
57.03323	2.6
58.00483	0.8
58.45552	0.7
59.01264	32.8
61.98709	0.7
67.01781	1.1
68.99683	1.0
69.03324	1.1
69.77683	3.7
71.01267	26.4
72.01609	0.9
72.99196	4.6
73.02818	3.2
74.45645	0.7
75.00758	7.8
83.01244	1.5
83.04900	0.8
85.02843	19.3
87.00773	5.7
89.02333	11.5
91.03923	0.6
95.01303	4.1
96.95927	1.7
99.00163	0.9
99.00773	7.6
99.04417	7.1
99.92476	2.5
100.04871	0.6
100.82786	0.7
101.02331	5.5
103.00264	1.5
107.08588	1.3
110.50442	0.7
111.00753	1.2
113.02359	25.7
114.02680	1.2
115.00303	1.8
116.92772	24.4
117.01836	3.4
117.92749	1.6
119.03413	2.4
121.06508	1.5
129.01857	1.4
130.01091	0.6
131.03436	1.0
133.08972	0.7
135.94365	0.7
148.95013	0.7
149.04514	0.7
157.01408	1.6
157.40041	0.7
160.03934	0.7
171.11656	0.8
175.02385	2.1
179.05568	0.9
189.12837	10.0
207.05081	1.4
207.13928	5.8
246.14149	0.6
249.06201	9.4
250.06554	0.9
251.12993	2.9
257.12683	0.7
267.07254	27.1
268.07599	2.0
269.04480	2.5
269.07349	0.9
291.11380	1.1
325.16492	0.8
325.20462	0.7
369.22681	0.8
457.20657	0.8
462.39218	0.8
483.18289	0.9
501.12387	1.3
501.19830	25.8
502.20108	2.3
519.20093	1.1
524.20184	1.0
549.28973	1.6
563.14178	1.9
631.24249	1.3
639.79553	0.8
663.25439	1.0
681.26154	100.0
682.26508	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	679.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.9
57.03351	1.3
58.00482	0.9
59.01266	27.5
61.98717	2.4
68.74699	0.6
69.03347	1.9
71.01273	20.4
72.99210	2.5
73.02849	5.6
75.00773	2.5
81.03352	1.7
83.01280	4.0
83.04935	1.2
85.02837	7.0
87.00779	7.2
89.02338	11.7
89.02853	1.0
93.03363	1.7
95.01297	2.5
96.95925	2.7
97.02843	5.1
97.06487	1.2
99.00791	1.9
99.04427	1.2
101.02350	13.6
101.05970	1.2
106.04151	2.0
107.04957	2.4
109.02869	1.6
111.00798	1.1
113.02370	9.2
119.03419	3.0
119.04941	1.0
121.02926	1.1
123.00787	0.8
125.02369	8.8
127.03957	0.8
129.01881	0.8
131.03391	1.0
137.02386	1.4
138.03183	1.0
139.03949	1.2
143.03435	2.3
149.02379	0.7
149.06064	0.7
150.03206	0.8
160.05167	0.8
161.04544	2.9
165.05429	0.9
167.03452	2.3
177.12807	7.9
179.05638	1.5
181.05212	0.6
192.11607	0.6
195.13887	88.9
196.14214	5.0
199.06107	0.8
203.05611	0.7
203.10762	11.1
204.10999	1.1
217.07124	1.2
221.06757	1.1
221.11838	20.4
222.12148	1.5
235.08302	5.1
239.12921	5.9
253.09412	1.1
263.07816	1.2
287.07718	1.2
305.08810	1.9
347.05798	0.7
377.26724	0.6
379.12561	8.8
397.13687	9.4
398.14130	0.8
403.04822	1.5
430.06952	1.3
431.07654	2.2
457.26468	1.0
482.75146	0.8
575.27155	1.1
619.26178	100.0
620.26501	14.0
635.14337	1.7
649.21368	0.9
661.22125	1.3
679.23615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03340	2.2
58.00478	1.3
59.01265	25.9
60.01593	0.4
61.98708	0.3
67.01759	0.4
68.99704	0.9
69.03355	0.8
69.66502	1.9
71.01270	23.3
72.01618	0.4
72.99200	4.2
73.02832	1.8
75.00762	12.2
81.03352	0.5
83.01265	1.2
83.04910	0.4
84.02079	0.4
85.02843	19.3
87.00775	5.7
89.02339	10.0
91.03900	0.8
93.03353	0.5
95.01283	4.1
95.04909	0.3
96.95913	0.6
99.00784	7.1
99.04420	1.2
101.02345	5.1
103.00274	1.6
107.04961	0.4
109.02861	0.4
111.00808	0.6
111.04450	0.5
112.01575	0.5
113.02358	25.0
114.02713	0.4
114.95872	0.3
115.00305	1.1
117.01844	1.5
119.03439	1.6
125.02406	0.3
129.01846	1.6
131.03435	1.1
135.04462	0.5
149.04539	1.0
157.01360	0.9
159.11665	0.3
161.09674	0.4
161.13309	6.3
175.02458	1.8
179.05576	0.4
187.11247	3.8
189.04071	0.3
205.07161	0.6
205.12334	7.4
206.12616	0.6
207.05040	1.6
231.04994	1.2
231.10255	0.7
249.06171	13.5
249.11397	1.6
250.06488	0.6
267.07263	34.7
268.07532	1.7
287.09280	0.3
294.10452	0.3
323.15024	1.2
437.18161	0.7
455.19272	6.0
456.19473	0.5
481.17117	0.7
499.18335	31.3
500.18546	3.5
503.21301	0.4
517.19299	1.8
547.23865	0.4
586.22064	0.3
661.24146	1.0
679.24670	100.0
680.25018	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	677.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.0
57.03331	1.1
58.00480	1.9
59.01265	36.7
60.01585	0.6
61.98703	0.2
66.43158	0.1
67.01799	0.1
68.18516	0.1
68.99708	0.3
69.03342	2.0
71.01268	35.5
72.01597	0.5
72.99203	2.7
73.02835	5.8
75.00777	0.8
81.00121	0.1
81.03347	1.5
83.01276	4.1
83.04952	0.3
85.02843	7.3
85.99984	0.3
86.47217	0.1
87.00769	7.5
87.04404	0.2
89.02337	28.7
90.02660	0.2
91.03906	0.7
93.03349	0.4
95.01292	2.4
95.04904	0.2
97.02853	6.2
97.03492	0.3
99.00767	2.0
99.04418	0.3
101.02344	28.1
102.02678	0.6
103.00247	0.3
103.03903	0.4
107.03427	0.2
109.02866	0.6
111.00799	0.7
111.04408	1.2
112.01578	0.3
113.02355	13.5
114.02692	0.3
115.03922	0.8
119.03413	8.8
121.02863	0.4
123.00769	0.3
123.04424	0.3
124.01579	0.5
125.02364	11.3
126.02675	0.3
127.03901	0.4
129.01877	0.3
131.03442	1.4
133.04971	0.9
137.02345	0.3
139.03905	0.9
141.01889	0.6
141.80067	0.1
143.03432	5.0
144.03741	0.2
149.02493	0.2
149.04497	1.0
151.03905	0.2
155.03401	0.2
157.04929	0.2
161.04497	6.0
163.03951	0.2
167.03468	0.9
169.05023	0.4
179.05562	5.4
181.05045	0.2
185.04491	0.5
199.06065	0.7
203.05595	0.4
209.04608	0.2
217.07202	1.1
219.05038	0.3
221.06638	2.4
233.06728	0.1
235.08243	13.4
236.08528	0.8
245.06631	0.8
253.09297	3.1
259.08398	0.2
261.22272	0.5
263.07767	1.6
277.09357	0.9
279.23337	100.0
280.23685	9.5
287.07770	3.4
288.08069	0.3
293.24838	0.4
305.08823	3.8
323.09827	1.8
361.11151	0.7
379.12460	0.8
397.13571	80.2
398.13907	6.5
410.83768	0.2
415.14651	31.2
416.14935	2.5
595.29761	0.2
677.37469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.5
58.00473	1.5
59.01265	34.8
63.00408	0.7
68.99713	1.2
69.03312	1.0
69.37157	2.3
69.37585	4.6
71.01270	28.8
72.67126	0.6
72.99199	4.9
73.02829	1.4
75.00764	12.9
76.61205	0.6
79.15560	0.7
81.03374	0.8
83.01254	1.5
83.04899	1.0
85.02841	21.5
87.00778	6.9
89.02338	13.2
90.28043	0.7
91.03925	0.8
95.01296	5.0
96.95906	3.0
99.00787	8.6
99.04420	1.2
101.02324	4.1
103.00288	1.4
113.02357	29.8
114.02753	0.8
115.00254	2.0
117.01842	2.5
119.03427	1.2
122.06035	0.9
129.01865	2.0
131.03465	1.3
133.53499	0.8
135.04407	1.0
154.27060	0.6
157.01494	0.9
161.13309	7.3
175.02403	2.3
187.11363	3.4
205.07176	1.3
205.12325	6.9
206.65219	0.8
207.05089	1.8
215.08154	0.8
231.05101	1.1
231.10196	0.9
249.06229	13.1
249.11385	2.0
250.06496	1.0
257.09482	1.3
267.07272	38.9
268.07504	2.0
334.11664	1.0
335.12433	1.9
455.19226	6.5
481.17038	1.9
499.18320	19.1
500.18536	2.6
517.19220	2.3
545.90570	0.8
672.99976	0.8
679.24689	100.0
680.25024	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03333	1.1
58.00486	1.9
59.01267	37.5
60.01599	0.3
68.99702	0.5
69.03343	1.9
70.76354	0.3
70.76713	0.6
71.01271	34.8
72.01632	0.5
72.99199	3.0
73.02836	5.7
73.99554	0.2
75.00775	0.7
78.95785	0.3
80.66779	0.2
81.03349	1.4
83.01279	3.9
83.04939	0.3
85.02845	7.6
86.00010	0.5
87.00771	8.7
87.04433	0.4
89.02341	30.3
90.02683	0.6
91.03922	0.6
93.71555	0.2
95.01290	2.4
97.02855	6.1
98.03219	0.3
99.00785	2.1
99.04436	0.4
101.02347	29.1
102.02704	0.4
103.03915	0.4
109.02877	0.6
111.00817	0.4
111.04446	1.2
113.02361	13.6
114.02696	0.5
115.03938	0.5
119.03420	8.3
119.04863	0.4
121.02866	0.7
123.00798	0.2
123.04456	0.3
124.01579	0.4
125.02370	12.3
126.02753	0.4
127.03916	0.6
131.03418	1.6
133.05016	1.0
135.04469	0.3
139.03949	1.0
141.01871	0.5
143.03444	5.7
144.77306	0.3
149.02377	0.3
149.04510	1.0
152.99586	0.3
155.03429	0.3
155.33688	0.2
157.04977	0.5
161.04506	5.9
163.03952	1.1
167.03497	0.9
167.91032	0.3
169.04990	0.4
171.03040	0.3
179.03900	0.3
179.05579	5.9
185.04558	0.4
199.06177	0.6
203.05544	0.4
217.07172	0.9
221.06644	2.4
235.08250	13.8
236.08690	0.6
245.06693	0.9
253.09332	3.1
259.08347	0.4
261.22290	0.7
263.07724	1.5
275.06354	0.4
277.09396	0.9
277.21814	0.5
279.23349	100.0
280.23700	10.5
287.07803	3.6
293.24890	0.3
305.08850	4.1
306.09189	0.4
323.10043	1.8
333.27454	0.3
361.11523	0.5
379.12491	1.0
397.13589	87.2
398.09662	0.2
398.13925	7.6
415.14664	33.6
416.15039	3.1
488.25085	0.3
535.27661	0.3
595.29114	0.6
612.36487	0.3
677.26849	0.3
677.38013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.0
56.29821	0.1
57.03338	1.4
58.00481	2.3
59.01264	54.4
60.01598	0.5
61.62201	0.2
67.01779	0.4
68.99718	0.4
69.03339	2.5
69.56959	0.2
70.51094	0.2
71.01268	44.5
72.01618	0.5
72.99197	3.0
73.02837	7.7
75.00771	0.9
78.95783	0.2
81.03353	1.9
83.01278	5.0
83.04906	0.5
84.02042	0.2
85.02840	9.8
85.99970	0.4
87.00770	9.8
87.04417	0.3
89.02335	38.4
90.02688	0.4
91.03902	0.7
93.03363	0.5
95.01287	3.0
95.04945	0.3
97.02851	7.1
99.00772	2.8
99.04429	0.5
101.02341	35.0
102.02701	0.6
103.00316	0.3
103.03916	0.4
105.03333	0.2
107.01266	0.2
109.02866	0.8
111.00790	0.6
111.04430	1.4
112.01593	0.2
113.02354	17.4
114.02698	0.5
115.03926	0.6
119.03410	11.5
120.03741	0.2
121.02818	0.8
123.00836	0.3
123.04427	0.3
124.01573	0.6
125.02362	14.6
126.02701	0.4
127.03903	0.5
127.07609	0.3
129.01863	0.4
131.03426	1.9
133.05003	1.4
137.02379	0.6
139.03946	1.1
141.01874	0.6
141.05493	0.2
143.03430	6.8
149.02438	0.2
149.04482	1.1
151.03917	0.2
157.04997	0.4
161.04495	8.9
167.03462	0.8
169.05034	0.6
171.02950	0.6
179.05569	7.6
180.05904	0.2
185.04501	0.7
199.06093	0.7
203.05583	0.4
209.04515	0.2
217.07170	1.5
219.05054	0.5
221.06657	3.0
233.06694	0.2
233.22772	0.4
235.08229	15.8
236.08617	0.6
245.06662	0.7
253.09308	4.5
254.09821	0.3
259.08322	0.3
259.20737	0.5
263.07764	1.8
269.06613	0.2
275.20328	0.3
277.09628	1.1
277.21765	97.6
278.22116	9.2
287.07797	4.0
288.07974	0.2
291.23300	0.4
305.08878	4.7
306.09003	0.3
319.22659	0.2
323.09903	1.9
361.11365	0.4
379.12598	1.3
397.13568	100.0
398.13910	7.9
415.14642	41.3
416.14941	3.3
675.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03606	0.1
59.01269	0.2
71.60348	0.1
74.02374	0.2
79.95627	2.7
85.02862	0.1
96.95914	100.0
97.95851	0.2
137.02353	0.1
193.01369	0.1
245.09328	0.2
293.04553	0.7
413.09030	0.2
577.15912	0.6
610.31628	0.1
675.17999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.7
57.03334	1.5
58.00478	2.8
59.01265	56.0
60.01583	0.4
67.01799	0.2
68.99708	0.7
69.03340	2.9
71.01270	43.2
72.01613	0.3
72.05193	0.1
72.99198	3.2
73.02834	7.3
75.00770	0.8
81.03346	1.8
83.01276	5.3
83.04916	0.5
84.01617	0.2
84.02065	0.2
85.02840	9.9
86.00001	0.5
86.03179	0.2
87.00773	10.6
87.04403	0.3
89.02337	37.8
90.02692	0.8
91.03904	1.0
93.03349	0.6
95.01291	2.8
95.01854	0.3
95.04941	0.3
97.02849	7.6
97.06493	0.2
98.03207	0.2
99.00775	2.2
99.04411	0.5
101.02345	34.1
102.02683	0.6
103.00287	0.3
103.03934	0.3
109.02866	0.8
111.00817	0.9
111.04436	1.5
112.01559	0.3
113.02356	17.7
114.02689	0.3
115.03923	0.8
119.03414	10.7
120.03761	0.2
121.02867	0.7
123.00809	0.4
123.04455	0.4
124.01563	0.5
125.02368	14.3
126.02721	0.5
127.03916	0.6
127.07584	0.3
131.03430	2.2
133.04994	1.3
137.02388	0.4
139.03960	1.2
141.01895	1.1
141.05580	0.3
143.03436	6.9
149.02377	0.3
149.04517	1.1
155.03487	0.2
157.04970	0.4
161.04507	7.4
163.03920	0.3
167.03418	0.9
169.04976	0.7
171.02945	0.5
173.04416	0.2
179.05568	6.8
180.05869	0.2
181.05078	0.2
185.04523	0.8
199.06165	0.8
203.05585	0.4
205.19568	0.3
209.04587	0.2
217.07172	1.7
219.05101	0.5
221.06659	3.1
233.22803	0.4
235.08246	15.4
236.08548	0.6
245.06673	1.0
253.09317	3.7
254.09813	0.3
259.08237	0.3
259.20743	0.6
263.07693	1.6
275.20187	0.5
277.09613	1.1
277.21771	100.0
278.22119	8.9
281.08942	0.2
287.07806	3.7
288.08356	0.3
291.23334	0.4
305.08801	4.6
319.22571	0.2
323.09845	1.9
345.70816	0.2
361.11566	0.5
379.12509	1.1
397.13571	89.8
398.13922	6.4
398.19263	0.2
415.14651	37.8
416.15024	2.9
675.36212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97871	0.5
54.06422	0.5
54.36480	0.6
59.00964	0.8
59.01260	11.6
61.98722	2.6
71.01272	6.8
73.02846	0.9
80.02562	1.3
81.03353	1.4
83.01286	0.7
83.04908	6.4
84.02071	1.3
85.02847	1.9
87.00790	1.5
88.98709	0.8
89.02341	3.6
95.04909	1.4
96.35987	0.5
96.95915	1.9
97.06489	0.9
101.02338	5.6
104.14211	0.6
104.16674	0.6
105.79057	0.5
111.08044	0.6
113.02354	2.9
113.63643	0.5
117.29122	0.6
119.03462	1.4
125.02365	0.6
125.06009	0.8
126.06575	0.5
132.09512	0.6
135.08093	0.9
141.01630	1.9
142.76294	0.5
143.03407	0.8
150.73094	0.6
161.04478	1.2
163.11223	4.2
165.12801	11.1
166.13152	0.8
181.12444	0.6
183.13876	63.8
184.14180	3.9
191.10735	1.4
199.13455	1.2
209.11824	100.0
210.12178	6.0
211.13347	0.7
225.05460	0.8
227.12888	15.9
228.13228	1.2
235.08295	1.9
246.01938	0.9
253.05095	1.1
253.09297	6.7
263.77567	0.6
283.06241	1.3
424.07336	0.6
445.20801	2.3
463.21753	3.3
489.56961	0.5
591.12469	0.7
641.22595	0.7
655.33881	2.6
673.34521	78.4
674.34869	17.7
674.43945	0.4
699.56683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89303	0.2
55.01764	0.4
57.03344	0.7
58.00477	0.3
59.01264	4.8
60.33924	0.2
61.98718	3.1
62.65868	0.2
69.03339	0.3
70.11223	0.8
70.11620	0.5
71.01268	4.3
73.02850	1.2
75.00747	0.3
78.62064	0.2
83.01283	0.7
83.04917	0.5
85.02848	1.5
87.00774	1.0
89.02335	2.5
89.02851	0.3
95.01306	0.6
96.95914	0.6
97.06491	0.5
99.00779	0.5
101.02348	3.1
107.35895	0.2
111.08072	1.1
113.02340	1.9
119.03407	0.9
133.04976	0.4
137.02411	0.2
139.22418	0.2
143.03436	0.3
145.04980	0.3
161.04515	1.0
163.11298	0.4
165.12796	10.0
166.13130	0.7
183.13869	100.0
184.14207	6.5
209.11809	2.5
210.12190	0.4
211.13333	0.5
227.12894	5.7
228.13280	0.3
235.08203	1.2
253.09360	2.4
286.49838	0.3
301.16727	0.3
445.20792	1.4
453.92062	0.3
463.22067	3.6
511.29419	2.2
558.04419	0.3
590.59021	0.2
613.31836	0.7
629.35510	4.8
630.35529	0.9
655.33484	3.2
656.33630	0.7
673.34515	64.0
674.34882	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	673.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47343	0.1
57.03331	0.2
59.01264	2.7
60.28201	0.1
61.98708	0.3
69.32109	1.0
69.32519	0.2
71.01269	2.0
73.02840	0.4
80.02579	0.9
81.03341	0.8
83.01266	0.5
83.04916	4.1
84.02071	0.8
84.05206	0.1
85.02851	0.6
87.00761	0.5
88.98716	0.4
89.02332	1.3
93.03359	0.2
95.01288	0.2
95.04935	0.5
96.95893	0.2
96.99129	0.1
97.06483	0.2
101.02341	1.8
109.06521	0.2
111.08070	0.3
113.02358	0.9
116.01031	0.1
119.03403	0.3
121.02863	0.4
121.06582	0.1
123.08067	0.1
125.02409	0.1
125.06003	0.6
125.09653	0.2
129.01836	0.1
135.08089	0.8
141.01622	0.5
143.03497	0.1
143.09923	0.1
145.05008	0.3
147.11707	0.2
153.12831	0.1
161.04547	0.7
163.11232	3.3
163.12524	0.2
164.11510	0.2
165.01868	0.4
165.12814	2.1
169.96169	0.1
171.10211	2.0
173.09573	0.1
179.05618	0.2
181.12294	0.6
185.11755	0.2
191.10788	0.8
199.13390	0.2
209.11813	100.0
210.12155	6.7
210.14209	0.2
221.11855	0.2
223.13399	0.2
227.12883	12.7
228.13208	0.9
229.57764	0.1
235.08229	1.4
239.12964	0.2
247.13438	0.8
253.09326	5.3
254.09596	0.2
265.14539	0.3
271.02371	0.2
300.02740	0.4
301.03513	0.4
350.31882	0.1
394.48410	0.1
407.57535	0.1
419.24854	0.2
445.20721	1.1
470.04059	0.1
487.32596	0.3
611.30225	0.2
625.49365	0.2
637.31952	0.7
638.31970	0.2
641.22198	0.2
655.33618	0.3
673.22394	0.3
690.37189	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4027
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.45648	0.6
50.99147	0.7
57.03336	0.8
59.00995	1.0
59.01266	10.3
60.99177	3.7
61.98710	4.3
69.34605	0.6
71.01286	3.3
71.01617	0.9
71.59905	0.9
73.02842	1.6
77.33782	0.7
83.01278	1.0
85.02840	2.9
87.00773	1.3
88.98698	25.6
89.02338	2.3
96.95907	14.7
98.95482	6.8
98.96093	0.9
98.96375	1.0
99.04439	1.1
101.02335	1.5
109.06512	0.7
113.02345	2.2
115.84509	0.6
120.05721	0.8
121.02883	3.0
125.02330	0.9
135.08083	3.2
137.09596	0.7
141.01689	0.7
149.04526	0.8
149.06009	4.2
150.06804	37.6
151.00291	1.0
151.07439	2.1
161.04488	0.7
163.07585	9.5
164.08376	4.9
165.01875	2.0
176.08353	1.4
178.09935	1.9
178.99841	1.6
179.10762	10.6
207.10265	1.1
209.11832	2.3
225.11377	1.0
327.25439	1.9
329.23428	5.0
330.23526	0.7
389.06754	1.2
401.96692	0.7
435.07339	1.3
448.31946	6.6
449.32397	1.2
457.28281	0.8
462.34140	0.8
463.34424	10.7
464.34521	1.3
465.34381	0.8
475.29340	1.1
489.31711	0.8
490.33218	2.2
491.33823	2.8
508.34412	3.1
509.34964	29.5
510.35406	4.4
534.59039	0.7
581.12970	6.3
582.12946	1.1
611.37769	0.8
671.40314	100.0
672.40491	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	673.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
57.03341	0.2
58.00473	0.2
59.01263	3.9
61.98698	0.2
65.11826	0.1
69.83408	0.6
70.43690	0.1
71.01269	2.1
71.04889	0.2
73.02834	0.4
80.02567	1.1
81.03349	1.2
83.01279	0.3
83.04914	4.7
84.02072	0.7
85.02847	0.6
85.73430	0.1
87.00761	0.3
89.02343	1.4
93.03355	0.3
95.01284	0.1
95.04924	0.6
97.02825	0.1
97.06491	0.2
99.00786	0.2
101.02338	2.0
109.06506	0.3
111.04477	0.1
111.08022	0.1
113.02357	1.1
119.03426	0.4
125.02360	0.1
125.05991	0.6
125.09658	0.3
135.08066	0.5
141.01625	1.5
141.80760	0.1
143.03372	0.2
145.05022	0.2
147.11771	0.2
149.09726	0.1
150.06802	0.2
161.04498	0.9
163.11235	3.4
164.11534	0.1
165.12801	2.1
166.13226	0.1
171.10214	1.8
179.05501	0.3
181.12364	0.5
185.11734	0.1
191.10768	0.9
197.40404	0.1
199.13306	0.1
209.11813	100.0
210.12157	6.3
221.11809	0.3
223.13406	0.1
227.12886	13.5
228.13206	0.9
235.08243	1.6
236.08464	0.1
247.13428	0.9
253.09320	5.4
254.09679	0.3
265.14526	0.3
343.28091	0.1
401.23456	0.2
407.19046	0.1
419.24219	0.2
431.94299	0.1
445.20798	1.0
446.21204	0.1
463.21756	0.2
464.49582	0.1
483.22421	0.1
487.33240	0.4
505.33539	0.3
593.29645	0.3
611.30884	0.2
629.32294	0.1
637.32690	0.5
655.33447	0.3
673.33392	0.2
673.41345	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.1
58.00471	0.7
59.01266	15.6
60.14098	0.4
60.99192	0.7
61.98720	0.9
65.91326	0.4
69.03352	1.5
71.01271	15.7
71.60459	0.8
72.99184	1.4
73.02843	3.3
75.00776	2.2
81.03326	0.6
83.01277	2.2
83.04913	0.9
85.02845	5.8
87.00777	4.8
87.24966	0.4
88.98698	4.4
89.02334	9.0
93.03341	0.7
95.01285	1.9
96.95904	2.2
97.02834	3.1
97.06490	0.7
99.00764	1.6
99.04393	0.5
101.02348	10.1
101.03014	0.6
103.00259	0.6
104.25224	0.5
111.00792	1.1
111.08073	2.1
113.02361	6.5
115.00221	0.6
119.03418	2.5
121.02896	0.9
123.04493	0.5
125.02371	5.3
127.03896	0.5
131.03409	0.5
137.02347	0.5
143.03389	1.2
149.02361	0.6
149.06012	0.6
150.44202	0.4
161.04507	2.0
163.03998	0.5
165.05531	0.5
165.12808	17.5
166.13159	0.6
167.03433	0.7
179.05624	0.7
181.12364	0.5
183.13872	48.9
184.14183	3.1
191.02043	0.7
194.05977	0.4
195.06560	0.5
209.02980	1.7
209.11809	2.0
221.06612	0.8
227.12889	12.8
228.13350	0.5
235.08231	2.4
249.06110	0.6
251.12981	0.9
263.07864	1.2
267.07141	0.7
293.53693	0.4
299.05704	0.6
301.16635	0.9
303.69266	0.4
305.09070	0.7
312.44565	0.4
374.99826	0.4
397.13516	4.5
453.51743	0.6
463.21713	0.5
505.33624	0.6
566.50330	0.5
589.24805	0.7
607.26196	100.0
608.26563	16.4
610.41730	0.5
667.40186	3.0
668.22754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55191	0.3
56.33908	0.3
57.03338	0.6
58.00476	0.6
59.01265	15.9
69.03351	0.4
69.46194	2.8
71.01270	4.6
72.99197	1.4
73.02828	1.9
73.23913	0.3
74.94260	0.3
75.00759	0.5
85.02846	3.4
87.00764	1.5
87.61704	0.3
89.02346	2.2
91.01804	0.5
99.00810	0.3
101.02344	2.0
103.03911	0.9
105.01842	8.6
108.02083	1.0
109.02858	4.4
111.04451	0.6
112.51398	0.3
113.02331	0.4
119.03399	0.3
123.04424	0.9
123.08104	1.6
134.03665	4.2
138.83389	0.3
149.06050	0.8
154.99417	0.3
157.01341	0.3
159.04414	2.0
160.01630	0.8
171.11736	2.0
172.05252	1.7
173.06046	2.2
175.03938	0.6
178.02707	0.7
187.03983	0.3
187.07613	2.2
188.08131	0.3
189.05534	1.2
189.12886	0.6
191.07051	0.6
193.05054	8.2
201.12932	0.6
206.08237	0.5
207.13934	0.5
219.13980	0.4
225.05522	0.4
237.14949	2.1
241.05054	2.7
242.05553	0.5
253.05116	0.8
255.06538	1.9
263.07175	0.6
267.06717	1.1
268.07538	0.9
269.08115	0.4
274.02264	0.3
279.06766	0.4
280.07272	0.5
281.06808	2.8
281.13992	13.3
282.14282	1.0
283.09726	1.0
295.09848	2.5
296.10458	1.3
297.11636	0.4
298.08554	0.9
299.09250	1.6
310.08575	0.4
311.09384	4.7
311.12820	0.7
312.09763	0.5
313.10846	5.2
314.11276	0.5
325.10760	1.1
326.11670	4.2
327.12213	0.9
329.10519	1.2
341.14011	5.7
343.11966	0.6
344.12668	6.9
345.13196	1.4
359.10614	0.8
359.15100	15.1
360.15384	1.6
475.16376	0.8
505.20892	100.0
506.21210	17.9
667.26178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41617	0.2
59.01261	1.6
60.99192	15.8
71.01267	0.7
71.63150	0.2
72.99193	0.3
73.02855	0.2
75.00764	0.2
75.44772	0.2
83.01317	0.2
85.02835	0.5
87.00764	0.3
88.98699	100.0
89.99025	0.8
101.02351	0.2
107.01275	0.2
108.38512	0.2
109.02852	0.2
113.02351	0.2
119.34519	0.2
137.02362	0.2
151.00319	0.3
160.73294	0.2
195.06578	0.2
268.03867	0.9
269.04605	3.2
270.04889	0.4
285.03915	0.3
313.10876	0.2
329.13959	0.2
341.13797	0.3
490.14255	0.2
503.19431	0.7
511.81738	0.2
577.15778	1.8
578.16339	0.4
579.15973	0.4
637.25012	1.2
649.24786	1.0
667.26257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	0.5
59.01264	3.9
60.99192	18.2
66.90953	0.3
71.01282	1.6
72.99207	0.6
73.02818	0.8
85.02846	1.2
88.98699	100.0
89.02349	1.0
89.99041	1.1
93.03358	0.4
98.20653	0.9
99.00795	0.4
101.02341	0.5
108.02048	0.4
113.02359	1.1
117.03398	1.5
121.02866	0.5
134.03690	0.4
137.02396	0.8
149.02368	0.6
161.02345	0.5
163.00345	0.4
163.03842	0.3
165.01859	0.4
173.02455	0.9
175.00279	2.0
177.01857	0.5
193.01436	0.6
204.03160	0.4
205.01418	0.4
230.82190	0.5
243.02899	0.4
249.05869	0.4
262.23904	0.3
269.04584	1.1
273.03940	0.4
281.04596	0.4
282.05453	1.3
283.06149	1.5
293.04636	24.5
294.05042	2.6
295.05826	0.5
298.31100	0.3
311.05820	3.1
314.04175	0.5
323.05798	0.9
335.05750	0.5
341.06784	0.5
413.08893	6.5
414.08841	1.0
430.87656	0.4
457.11603	0.6
540.51044	0.4
577.15778	22.9
578.16058	3.7
649.16193	1.4
667.17255	1.4
667.26697	0.7
668.17566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99832	0.1
59.01272	0.5
61.98718	100.0
62.98399	0.1
70.14394	0.4
71.01286	0.4
74.63962	0.1
80.30955	0.1
80.83696	0.1
81.14522	0.1
88.98704	0.3
89.02345	0.5
90.57380	0.1
98.19843	0.2
101.02362	0.2
113.02355	0.2
119.03405	0.1
135.28751	0.1
143.03447	0.1
179.05634	0.2
246.46132	0.1
272.29022	0.1
277.21854	0.6
278.22275	0.4
279.22522	0.3
280.63367	0.1
323.10007	0.1
324.10239	0.1
325.10611	0.2
341.10693	0.1
342.11569	0.1
343.11554	0.4
401.31299	0.1
404.53226	0.1
604.33600	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47320	1.1
54.81907	1.2
59.01269	8.7
71.01273	3.7
71.30657	1.2
71.60830	2.4
75.00749	1.4
80.04921	1.3
82.02866	4.9
82.55101	1.0
83.01277	1.7
85.02840	3.3
87.00764	1.2
89.02336	2.1
94.02882	78.3
94.06521	1.4
94.54011	1.0
94.85947	1.1
95.03163	1.3
95.04936	1.8
96.04446	4.4
101.02345	3.2
101.14715	1.0
105.05753	2.2
107.03676	1.7
108.04468	5.4
110.06030	11.0
113.02349	1.8
120.08107	64.8
121.05237	2.7
121.08404	3.3
122.06025	21.8
130.13850	1.2
134.06035	2.6
136.03976	2.7
137.04713	3.0
138.05537	34.2
144.04503	8.2
145.05038	1.3
146.06056	1.2
150.05562	2.6
152.07103	3.1
160.03922	1.9
161.04688	1.6
162.05518	3.4
164.07100	5.7
174.05550	6.9
174.09116	1.3
188.03485	2.8
203.05849	12.1
204.06529	1.4
213.10295	2.1
215.11856	4.3
217.13419	1.3
223.08711	3.7
224.09441	1.7
225.10283	2.0
225.13966	2.2
227.11938	1.5
236.09496	7.0
237.10271	7.8
238.11153	2.1
239.11943	2.9
248.09578	2.2
249.10403	3.3
249.14000	2.8
250.07530	1.5
250.11023	3.4
251.08090	1.6
251.11935	38.0
252.12486	4.1
253.09789	3.0
257.12918	1.6
259.11014	1.5
261.12402	3.4
262.10901	1.2
263.08350	8.6
263.11798	8.1
264.09030	6.8
264.12332	1.9
265.09723	3.6
265.13495	10.4
266.10565	2.7
266.13852	1.6
267.11395	1.4
268.08560	4.2
269.04715	2.4
269.09323	1.6
276.09067	10.1
277.09875	36.0
278.10544	14.6
279.11377	5.9
280.12128	1.8
281.09348	2.5
282.10098	3.7
283.10834	5.7
284.11337	1.8
291.11447	43.0
292.12204	58.4
293.09464	2.7
293.12964	41.7
294.13464	5.0
295.10876	3.8
296.11603	2.2
303.13474	4.2
306.10181	1.8
309.12430	1.4
311.10364	2.7
311.13672	1.6
312.10767	1.8
313.11893	2.4
318.10199	1.5
319.10855	4.1
323.10333	1.8
324.11224	10.6
325.12003	4.7
325.15631	2.1
332.13928	2.3
335.10440	17.9
336.11185	22.5
337.11948	13.7
338.12314	1.7
343.13040	3.7
344.14136	2.5
344.17746	1.3
346.15677	3.6
358.15866	2.3
359.16492	1.7
360.17313	5.9
361.17831	2.7
371.11975	1.8
372.13498	1.4
372.17361	10.5
373.17972	1.9
374.14911	2.8
374.18976	3.3
386.14957	2.8
388.16537	5.5
389.17429	2.9
390.18332	7.9
399.15875	1.8
400.16562	2.7
402.18228	5.0
403.18845	2.0
404.15921	2.4
406.17822	5.4
414.18317	15.9
415.18790	4.5
416.16550	1.2
418.17831	10.0
419.17963	1.6
432.19427	12.5
433.20020	2.4
436.19028	2.9
441.16980	2.4
446.17111	1.9
447.17657	2.8
450.19983	1.7
458.17511	7.4
459.18076	10.6
460.18375	1.4
476.18396	24.5
477.19003	13.6
478.19907	6.6
490.19833	13.7
491.20123	1.6
496.21381	1.7
499.23453	2.1
508.20978	100.0
509.21359	19.3
511.23569	4.2
529.24744	10.6
533.26630	1.8
543.21930	1.7
553.24811	3.6
555.22418	6.3
571.25562	5.8
573.23669	31.1
573.32233	2.6
574.23975	7.5
587.25397	10.6
589.26489	3.1
597.23712	6.7
603.24762	3.3
605.26282	83.9
606.26788	13.7
615.24707	40.3
616.24695	7.9
617.26392	3.7
620.08356	1.3
629.26282	5.8
630.26465	1.5
632.36304	1.6
633.25787	69.3
634.25977	11.6
635.26837	3.4
642.25513	1.4
647.16876	1.1
647.27277	45.5
648.27533	8.7
665.28412	65.0
666.29041	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	663.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57634	0.4
57.03352	0.4
59.01265	13.8
61.03976	0.5
61.98718	0.6
68.99718	0.6
71.01279	2.2
71.62177	0.5
73.02824	1.0
81.03350	0.8
82.02856	0.6
83.04921	1.0
85.02837	1.4
89.02334	1.1
93.03387	0.6
94.02902	3.5
94.06516	1.6
95.04945	1.1
96.95900	1.4
97.87252	0.4
101.02345	1.0
106.06526	1.6
107.03653	0.6
107.04963	0.7
108.04461	3.7
109.02893	0.7
110.06031	5.1
113.02353	1.3
118.06612	0.5
120.08103	2.4
121.05256	1.2
122.02379	0.6
122.06039	12.1
123.03191	0.9
124.03979	5.3
130.06534	1.4
134.06041	0.8
136.03970	5.4
137.04745	2.0
138.05536	6.8
139.00333	0.5
144.04469	1.6
146.05995	0.5
147.05565	3.0
149.04807	0.4
150.05565	5.9
160.03987	0.9
161.03535	0.9
161.04756	3.3
162.05533	2.0
165.05588	0.6
168.06648	2.3
174.05589	5.0
175.05066	3.5
176.03545	0.5
176.05888	0.8
185.07170	0.5
186.12781	1.1
187.06326	0.7
188.03429	0.9
189.14664	0.5
192.02930	0.6
192.06581	0.6
193.03746	1.9
199.08846	0.7
200.09419	0.8
201.06592	0.8
201.10316	17.7
202.10576	1.0
202.12326	1.1
203.05856	3.0
203.11891	1.2
211.08759	1.3
212.10956	0.7
213.10307	8.7
214.10806	1.1
215.08305	1.1
215.11896	2.4
217.09770	0.9
223.08841	0.7
225.10291	1.2
226.11151	0.6
227.08275	0.8
227.11890	5.3
228.12552	0.6
229.09848	21.4
229.13358	8.7
230.10112	1.3
233.13005	0.6
235.08875	0.6
236.09486	1.0
237.10339	1.8
239.11926	10.2
241.09842	3.2
242.10475	0.7
243.11450	1.2
245.12938	1.9
247.10895	3.4
249.10411	0.6
251.11746	1.0
255.11424	5.6
256.11807	0.9
257.12961	6.5
258.13110	0.5
259.10876	0.7
265.09827	0.7
267.07532	0.6
267.11411	3.5
268.03870	2.4
269.04605	13.5
270.05014	0.8
271.10962	0.9
273.09332	0.9
273.12445	5.1
275.14063	1.5
276.08911	0.7
277.09848	0.8
278.10596	1.0
279.11392	1.1
280.12155	0.7
281.09406	1.1
282.10117	0.5
283.10938	4.0
285.12482	1.2
287.10443	0.8
289.11929	5.6
291.11462	1.8
292.12067	0.7
293.13028	0.5
295.10965	0.8
297.12393	0.6
301.11984	26.9
302.12402	1.7
309.12662	1.0
311.10413	1.8
313.12027	1.3
314.09280	0.6
315.10300	0.5
315.14670	0.6
316.14417	0.5
317.11560	0.6
319.13052	100.0
320.13446	7.1
325.12033	0.9
327.13629	4.0
328.11066	1.5
328.14630	0.7
329.11716	1.3
330.12457	1.7
331.13263	1.5
332.13879	0.5
334.15469	0.5
340.15057	0.6
341.12180	0.5
342.12613	1.4
342.16397	0.6
343.13123	4.5
344.10242	0.7
344.14017	1.7
345.11224	0.6
345.15112	0.7
346.12143	1.1
346.15723	1.8
354.12411	0.6
355.13342	0.7
356.14151	0.8
357.10941	0.8
357.14835	0.8
358.15677	1.5
359.12881	1.8
360.13361	0.7
360.17273	1.2
361.17981	0.6
363.15970	0.9
370.11722	0.8
370.15668	1.4
371.12589	1.0
372.13474	4.0
372.17337	0.5
373.14359	0.9
374.15067	0.6
375.78613	0.5
376.16876	0.8
377.13696	1.2
378.18451	1.3
379.19058	1.0
384.17282	1.5
386.11270	0.7
386.15298	6.1
387.15875	1.5
388.16824	4.1
389.17282	0.6
390.14673	2.0
391.15585	0.8
400.17114	3.0
401.13092	0.6
401.17685	0.8
402.18634	0.8
403.14969	2.3
404.16220	12.9
405.17056	3.8
406.17792	2.2
411.16068	0.7
412.16956	0.8
414.14725	3.4
416.16205	1.6
417.17322	0.6
418.14197	1.6
419.14407	2.4
428.16248	2.1
429.16962	2.7
431.14612	0.9
432.15652	5.3
433.15994	0.7
437.16049	5.7
438.16211	0.8
446.17276	4.5
447.17920	3.4
448.10687	0.6
450.16812	1.3
461.21851	0.5
462.15814	0.6
483.23901	0.5
490.16257	0.9
491.17038	1.0
509.22308	1.2
515.23022	1.6
519.26398	1.6
523.19153	1.0
527.23138	6.5
528.23657	1.1
531.21436	1.1
539.23199	1.0
545.24213	16.8
546.24554	2.9
551.23370	3.0
557.23914	2.4
561.29980	0.6
563.25269	0.8
569.24194	12.8
570.24799	2.0
571.22101	1.7
572.22571	1.2
587.25208	55.7
588.25482	9.6
590.24072	3.7
591.24615	1.1
595.22723	0.6
601.22961	2.2
606.63068	0.5
613.23175	7.5
619.16699	6.1
619.27167	1.4
620.17236	1.6
631.24249	80.2
632.24567	13.9
632.35028	0.6
633.25769	1.3
645.25848	6.8
646.25867	1.4
651.90875	0.5
663.26855	64.5
664.27142	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	656.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17207	0.5
59.01260	2.9
59.37391	0.5
61.98719	16.6
62.71831	0.6
69.70995	3.7
75.00782	1.4
85.02863	0.6
87.00800	0.8
89.02317	1.2
89.66585	0.6
98.20522	1.1
98.79741	0.6
99.00745	0.6
107.01311	1.4
112.21119	0.6
116.97612	0.5
124.69348	0.6
133.02873	1.7
134.03687	0.8
149.02275	0.7
151.00301	3.4
153.47227	0.5
178.99834	0.7
199.03981	0.7
211.03979	1.0
227.03519	9.2
228.03862	0.9
229.04951	0.8
255.03064	17.6
256.03635	3.6
257.04523	1.6
284.03329	62.7
285.04074	57.8
286.04407	4.6
327.05246	1.3
447.09470	1.7
466.68417	0.6
593.15259	100.0
594.15619	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	659.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71875	0.3
55.81705	0.3
59.01265	100.0
60.01616	0.9
65.35022	0.4
71.29121	0.8
73.64618	0.5
78.95773	0.4
83.44271	0.4
148.69699	0.3
152.99500	0.4
561.02582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03334	0.7
58.00486	1.9
59.01266	45.1
60.01587	0.6
61.98709	0.5
68.99720	0.8
69.03336	2.5
71.01272	43.4
71.60701	0.7
72.01580	0.6
72.02063	0.4
72.99204	3.9
73.02835	7.3
75.00762	1.2
81.03348	1.9
83.01283	4.6
83.04916	0.6
85.02843	10.0
87.00773	11.0
89.02341	35.8
90.02698	0.5
91.03928	0.6
95.01297	3.6
96.95914	0.5
97.02856	7.6
99.00777	2.9
99.04424	0.9
101.02348	33.5
102.02671	0.8
103.00352	0.4
103.03898	0.8
109.02895	0.8
111.00798	0.8
111.04423	1.1
113.02358	17.0
114.02700	0.5
115.03931	0.8
119.03419	11.5
121.02872	0.7
124.01577	0.8
125.02374	16.0
126.02695	0.5
127.03931	0.8
127.07539	0.5
131.03455	1.8
133.04968	1.2
137.02408	0.5
139.03947	1.2
141.01857	0.7
143.03452	6.9
145.03847	0.4
149.04468	1.6
161.04503	8.5
162.04924	0.5
167.03439	1.1
171.03035	0.4
179.05579	7.8
180.05908	0.5
181.04936	0.4
185.04553	0.8
199.06177	0.6
217.07133	0.8
219.04987	0.7
221.06639	2.9
221.08559	0.4
235.08247	16.8
236.08566	0.8
245.06660	1.5
245.19150	0.7
253.09303	3.7
261.18625	0.7
263.07813	2.0
263.20215	100.0
264.20544	9.1
277.09238	1.5
287.07797	3.9
287.10663	0.6
305.08884	5.0
306.09180	0.4
323.09903	2.0
361.11475	0.6
379.12482	1.8
397.13599	99.0
398.09152	0.8
398.13943	8.5
415.14676	39.9
416.14981	3.0
485.20972	0.5
573.64813	0.5
661.34418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85781	0.3
58.86425	0.3
59.01266	100.0
60.01604	0.9
61.98719	1.3
63.20614	0.3
65.95287	0.3
69.05448	0.3
70.19981	0.7
70.20391	1.0
71.01268	0.6
82.88288	0.3
96.95890	1.6
97.02855	0.3
98.20502	0.4
117.02588	0.3
138.34967	0.3
141.01633	75.5
142.01962	1.3
262.11401	0.3
275.06189	2.2
277.21747	2.6
317.07379	0.6
335.08905	0.5
359.22125	1.5
391.19711	1.1
535.27887	2.7
536.27747	0.5
595.29803	0.7
600.37311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01605	0.9
61.98730	0.4
66.00648	0.3
66.45866	0.3
67.92045	0.3
71.01272	1.1
91.35703	0.3
96.99244	0.3
97.02863	0.4
101.00841	0.4
102.98796	0.4
113.00893	0.4
115.12518	0.4
116.21876	0.3
117.00381	0.7
125.00916	0.3
141.01637	69.3
142.02036	0.9
155.01945	0.5
155.19716	0.3
158.28612	0.3
173.03032	0.5
201.02557	0.6
230.50214	0.4
253.09328	0.3
257.05145	0.7
275.06281	4.1
276.06711	0.3
277.21735	2.6
279.97995	0.3
317.07291	1.0
335.08655	0.6
359.22122	1.0
391.19904	2.0
392.20093	0.5
535.27893	4.4
536.28235	0.5
595.29950	1.9
680.32953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	14.7
61.98712	4.6
66.58948	0.9
71.01276	7.2
71.59621	1.2
72.99193	1.0
73.02853	1.6
76.83254	1.0
77.10157	0.9
85.00581	1.1
85.02827	3.0
89.02312	3.1
96.95904	4.6
99.00774	1.2
99.01994	1.0
101.02344	3.6
107.04922	1.1
109.02824	1.2
109.06570	1.1
113.02348	2.8
115.00299	1.4
119.03413	2.5
121.02833	1.4
125.02346	1.1
134.03632	1.9
135.04416	1.1
135.08063	1.2
137.02362	1.2
141.01625	1.8
149.04466	1.1
149.06009	2.7
158.15685	1.2
159.04532	1.7
163.07610	1.0
171.10193	2.3
187.07550	2.1
201.05539	1.6
207.10214	2.5
207.92821	1.0
209.11790	1.5
211.13364	2.9
215.07053	2.9
225.11263	2.0
227.01363	1.0
228.07977	1.1
247.13460	1.3
272.73480	1.1
284.66779	1.1
291.10254	2.2
304.07468	1.4
305.04782	1.7
306.05548	1.1
313.08597	1.0
317.08157	1.8
318.05136	1.1
319.06445	1.6
319.09827	14.0
320.10550	3.0
321.08014	1.4
327.10245	1.4
332.06949	2.2
333.04080	1.5
336.10089	2.8
337.10831	31.1
338.11267	2.4
344.10574	1.4
345.07532	1.2
345.11310	1.4
347.09357	1.8
348.09985	1.5
349.10782	3.8
355.09753	2.1
357.07806	1.6
361.07224	2.0
363.12442	2.2
371.09195	3.5
372.09943	2.6
373.06970	1.4
373.10886	10.8
377.23560	2.5
381.11450	1.5
389.10403	2.0
391.12018	3.3
397.11020	1.2
401.23233	1.7
475.34299	2.6
493.35324	2.4
539.16956	1.3
567.20276	2.2
595.37061	2.0
637.17834	1.6
637.32343	4.0
655.18341	100.0
656.18634	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	653.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
57.03342	0.7
58.00476	1.9
59.01263	35.9
67.01763	0.2
68.99702	0.5
69.03331	2.2
71.01266	35.2
71.60646	0.3
72.01602	0.6
72.99193	3.3
73.02832	5.7
75.00764	1.0
80.56271	0.1
81.03342	1.5
83.01271	4.2
83.04902	0.2
85.02838	7.4
86.00001	0.2
86.03181	0.2
87.00768	8.6
87.04372	0.2
89.02334	30.5
89.33120	0.2
90.02689	0.4
91.03909	0.7
93.03340	0.3
95.01286	2.7
95.04951	0.2
95.64610	0.1
97.02847	6.4
99.00768	2.1
99.04415	0.4
101.02341	29.1
102.02670	0.5
103.00284	0.3
103.03915	0.5
109.02850	0.5
111.00784	0.6
111.04411	1.0
112.01603	0.2
113.02353	13.5
115.03911	0.6
119.03408	8.8
121.02858	0.6
123.00764	0.3
123.04385	0.3
124.01579	0.4
125.02359	12.0
126.02660	0.2
127.03941	0.4
129.01860	0.3
131.03424	1.5
133.04959	1.2
137.02316	0.2
139.03912	1.1
141.01865	0.6
143.03429	5.8
144.03728	0.3
145.04938	0.2
149.02354	0.2
149.04477	1.1
149.05609	0.2
154.19600	0.1
157.05064	0.2
161.04495	7.0
162.04826	0.3
167.03452	0.6
169.05002	0.4
171.02960	0.3
179.05562	6.3
185.04500	0.7
199.06047	0.4
203.05588	0.5
217.07196	1.0
219.05022	0.5
221.06642	2.5
227.05476	0.2
235.08241	13.9
236.08575	0.6
237.22183	0.3
245.06642	0.9
253.09291	3.1
255.23314	100.0
256.23648	7.4
256.26401	0.3
259.08237	0.2
263.07803	1.2
269.24915	0.6
277.09305	0.9
287.07800	3.6
288.08167	0.2
297.24338	0.3
305.08875	4.3
306.09167	0.3
323.09891	1.8
361.11469	0.6
379.12524	1.0
397.13562	89.5
398.13916	6.9
415.14636	32.6
415.19003	0.4
416.14993	2.7
653.37286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71748	0.2
59.01257	2.3
61.41912	0.2
61.98714	100.0
62.98408	0.3
63.12660	0.2
71.01296	0.2
71.59797	0.2
84.50256	0.2
92.20924	0.2
98.79459	0.2
209.11766	1.4
210.81230	0.2
222.75378	0.2
301.36789	0.2
309.20892	0.3
383.85623	0.2
419.99118	0.2
437.79172	0.2
510.49722	0.2
524.36115	0.2
593.40326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25454	0.1
55.01770	1.4
56.29625	0.1
57.03341	1.0
58.00481	2.0
59.01263	42.1
60.01591	0.4
67.01777	0.2
68.99701	0.5
69.03343	2.2
71.01268	36.5
72.01609	0.4
72.99197	2.7
73.02834	6.4
75.00748	0.9
81.03347	1.6
83.01275	4.2
83.04913	0.2
85.02840	7.8
85.08028	0.2
86.00008	0.3
86.03149	0.3
86.36765	0.1
87.00771	9.1
87.04392	0.3
89.02335	32.5
90.02655	0.4
91.03897	0.9
93.03383	0.4
95.01279	2.9
95.04926	0.4
95.18025	0.1
97.02850	6.2
99.00773	2.5
99.04425	0.6
101.02344	29.9
102.02689	0.5
103.00273	0.4
103.03889	0.4
109.02857	0.7
111.00784	0.6
111.04423	1.1
113.02353	15.3
114.02700	0.3
115.03942	0.8
119.03414	9.9
120.03741	0.2
121.02850	0.9
123.00765	0.4
123.04434	0.5
124.01594	0.4
125.02362	13.0
126.02644	0.2
127.03943	0.6
129.01859	0.3
131.03433	1.5
133.05005	1.2
137.02368	0.4
139.03914	1.0
141.01849	0.6
143.03433	6.0
149.04491	0.9
150.13123	0.2
151.03995	0.2
155.03462	0.2
157.05066	0.2
159.02962	0.2
161.04501	6.5
161.05859	0.3
162.04848	0.2
167.03470	0.8
169.04991	0.7
179.05574	6.2
181.05016	0.2
185.04507	0.8
199.06123	0.7
203.05545	0.4
217.07188	1.1
219.05121	0.6
220.31657	0.2
221.06645	2.4
235.08246	14.6
236.08604	0.5
237.22079	0.3
245.06667	0.8
253.09303	3.1
255.23315	99.1
256.23660	8.1
256.26385	0.3
263.07736	1.5
269.24875	0.7
277.09369	1.1
287.07791	4.1
288.08328	0.2
305.08838	5.0
306.09036	0.3
323.09924	1.9
361.11493	0.6
379.12582	1.3
397.13568	100.0
398.13904	8.0
415.14642	35.2
415.20547	0.3
416.15021	2.8
439.08981	0.2
478.77988	0.2
546.38928	0.2
653.37018	0.9
654.38690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	2.5
59.01266	68.0
60.80281	1.5
68.93105	1.8
71.01271	62.3
71.61820	1.8
72.99193	3.2
73.02843	5.9
83.01248	2.9
85.02861	10.4
87.00769	3.3
89.02340	100.0
96.95928	4.5
101.02348	50.4
113.02354	17.6
119.03422	12.6
127.16413	1.7
131.03419	29.2
135.04434	9.8
143.03407	3.2
149.04497	84.1
155.38892	1.9
161.04475	5.0
179.05594	4.7
182.38956	1.6
189.05573	1.7
191.05565	10.1
211.34944	1.5
251.07718	3.7
252.75316	1.6
309.11932	3.6
311.09891	50.9
312.10193	3.3
321.10147	1.8
341.11057	23.2
411.61249	2.0
429.43677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	2.5
59.01266	68.0
60.80281	1.5
68.93105	1.8
71.01271	62.3
71.61820	1.8
72.99193	3.2
73.02843	5.9
83.01248	2.9
85.02861	10.4
87.00769	3.3
89.02340	100.0
96.95928	4.5
101.02348	50.4
113.02354	17.6
119.03422	12.6
127.16413	1.7
131.03419	29.2
135.04434	9.8
143.03407	3.2
149.04497	84.1
155.38892	1.9
161.04475	5.0
179.05594	4.7
182.38956	1.6
189.05573	1.7
191.05565	10.1
211.34944	1.5
251.07718	3.7
252.75316	1.6
309.11932	3.6
311.09891	50.9
312.10193	3.3
321.10147	1.8
341.11057	23.2
411.61249	2.0
429.43677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17585	0.4
55.01754	1.2
57.03322	1.3
58.00478	1.7
59.01268	30.4
59.61811	0.5
67.01790	0.7
68.28938	0.5
68.66500	0.5
68.99719	0.8
71.01274	21.9
71.38393	0.9
72.99199	4.4
73.02831	2.5
75.00766	9.7
75.64027	0.4
76.23383	0.4
77.39423	0.6
80.07460	0.5
83.01270	1.5
85.02843	16.1
87.00776	4.7
89.01823	1.0
89.02341	10.6
95.01289	4.0
96.95911	1.6
99.00786	6.7
99.04414	1.3
101.02370	5.0
103.00263	1.3
105.95179	0.4
109.02874	0.6
111.00752	1.0
113.02356	18.4
115.00297	1.8
117.01799	1.3
119.03400	2.1
122.89181	0.5
124.81871	0.5
124.83042	0.5
129.01842	1.4
133.01334	0.6
135.11746	4.3
136.01579	1.4
151.03944	1.5
157.01424	0.7
161.09750	1.2
175.02357	1.1
179.10750	19.9
180.11081	1.2
207.05106	0.6
223.09828	4.2
231.05118	2.0
249.06184	15.5
250.06532	0.7
267.07281	7.4
297.04019	0.6
297.13403	1.1
298.04794	0.6
309.04166	2.2
327.05151	3.5
357.06293	1.1
411.17090	0.8
429.17761	5.6
430.18567	0.6
455.15768	1.1
473.16739	20.9
474.17114	2.1
491.18829	0.8
593.15228	3.8
653.23114	100.0
654.23462	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	641.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
61.98713	1.3
66.77274	0.2
69.03344	0.4
71.01261	1.3
71.56023	0.4
73.02827	0.3
78.12700	0.2
83.04942	0.2
85.02839	0.2
87.00776	0.5
89.02315	1.2
96.95887	0.4
99.05421	0.2
101.02339	1.0
106.08423	0.2
113.02315	0.5
119.03416	0.4
125.02338	0.2
145.05060	0.3
161.04521	0.7
165.12733	0.4
167.10791	0.4
167.14319	0.7
175.11218	0.3
179.05588	0.3
183.13860	6.1
184.14195	0.4
191.52818	0.2
193.12349	1.5
211.13379	100.0
212.13707	6.0
219.22456	0.2
235.08209	1.8
253.09319	4.2
344.69012	0.2
387.25586	0.3
388.25977	0.3
405.26599	0.3
429.21091	0.6
447.22433	6.0
448.22955	1.0
623.33954	1.0
624.35034	0.3
641.34857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89542	0.7
56.58838	0.9
59.01253	1.9
61.98710	2.8
69.27081	0.8
69.27392	10.2
83.04958	2.0
83.63648	0.8
96.95929	1.4
98.19725	1.9
113.02327	1.0
146.03680	2.1
147.04446	17.3
148.05193	3.2
155.04993	1.5
159.04451	23.0
160.05226	1.3
161.06000	3.4
163.11253	2.1
172.05275	5.3
173.06033	45.3
174.03156	2.3
174.06665	2.1
175.03990	6.2
183.13692	1.0
185.06038	1.7
186.06863	1.3
187.03931	3.6
187.07565	9.3
188.08192	1.0
189.05568	8.4
194.19547	0.8
200.08287	1.0
200.48250	0.9
201.05580	8.6
209.11821	20.0
211.13368	9.2
215.07089	2.9
216.07899	51.3
217.00227	1.2
217.08252	2.2
227.12851	2.5
285.15115	3.4
297.14969	6.7
298.15604	1.2
300.13779	6.4
301.14120	0.9
313.18170	1.6
315.16061	3.3
318.14795	3.5
323.16531	2.7
341.17630	100.0
342.17953	10.1
359.18701	34.2
360.18921	3.4
415.21365	29.6
416.21771	4.2
433.22385	72.2
434.22757	8.4
533.76147	1.0
580.20850	1.1
625.34363	2.0
643.34839	18.5
644.35577	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	651.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01595	0.7
71.01288	0.5
71.61525	0.3
71.62074	0.5
75.88845	0.3
89.02365	0.5
93.09235	0.3
113.02401	0.3
121.35211	0.3
127.07117	0.3
131.89296	0.3
132.28094	0.3
133.37395	0.3
139.65965	0.3
154.78191	0.3
172.70651	0.4
176.93262	0.3
244.42717	0.3
262.24585	0.3
277.21783	21.1
278.22263	1.9
278.24994	0.3
285.04144	0.3
291.23419	0.5
366.78854	0.3
423.48145	0.3
486.65216	0.3
580.59003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2103
Annotation	Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03329	1.8
59.01262	12.8
67.01772	1.1
68.99699	1.1
69.03351	1.1
69.29085	0.6
69.29396	6.0
71.01272	12.5
71.01668	0.8
72.99195	5.7
73.02817	1.7
75.00763	11.6
77.49422	0.5
83.01265	0.9
85.02364	1.0
85.02846	14.0
87.00774	5.6
89.02341	3.4
91.03888	0.7
93.03328	1.2
95.01282	4.2
99.00780	8.9
101.02362	1.5
103.00251	1.5
105.05673	0.5
109.02872	0.8
110.31837	0.5
111.00819	2.4
113.02360	14.2
115.00264	2.0
117.01847	1.6
121.02863	2.9
122.03632	2.4
123.04415	1.2
128.09096	0.5
129.01842	2.1
132.02112	0.7
133.02864	1.2
134.03618	0.7
135.04463	2.7
136.05223	6.4
137.05966	1.3
140.49110	0.5
143.03374	0.7
145.02922	0.8
147.04401	0.6
149.02386	5.9
149.05988	1.6
150.03166	21.9
151.03967	5.6
151.07512	0.7
156.12790	0.5
157.01305	0.8
162.03163	0.7
163.03903	0.9
164.04752	2.9
165.05516	14.5
175.02431	1.7
179.03444	0.6
179.07106	1.4
180.04185	1.1
181.04974	1.5
195.06615	17.7
196.06941	0.9
199.13266	1.1
231.04956	1.3
249.06168	16.3
250.06517	0.8
267.07245	8.4
268.07611	0.5
269.08148	0.6
283.09894	2.0
284.10681	0.6
311.09308	5.2
312.09732	0.7
325.10928	1.3
329.10312	1.6
343.11942	21.8
344.12268	1.8
364.30597	0.6
378.36264	0.5
388.76059	0.6
391.14078	1.5
427.12732	0.8
443.11911	0.8
444.12811	7.0
445.12753	0.6
449.20349	1.1
476.12100	0.7
479.21353	1.0
493.19150	1.1
509.18756	0.6
517.15649	0.8
539.59698	0.6
593.18768	1.0
623.20007	5.2
624.20044	0.6
641.20966	100.0
642.21454	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	641.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03344	2.3
58.00480	0.9
59.01267	15.2
63.48484	0.5
67.01758	1.4
68.99693	1.9
69.03340	1.3
70.73618	1.4
71.01272	17.8
72.99194	6.1
73.02818	1.8
75.00765	17.7
81.03341	0.6
83.01275	1.3
83.04915	0.5
84.02042	0.6
85.02847	19.4
86.03159	0.6
87.00772	6.5
89.02328	4.1
91.05399	0.4
93.03367	2.5
95.01292	4.2
99.00782	10.3
99.04413	0.5
101.02311	1.1
103.00278	2.2
108.02029	0.7
111.00792	1.6
113.02357	17.2
115.00275	2.1
116.15403	0.4
117.01873	2.4
119.04927	0.7
121.02864	4.0
122.03661	5.7
123.04436	3.4
124.01583	0.9
129.01837	2.0
133.02879	1.3
134.03639	1.4
135.04460	4.5
136.01607	0.6
136.05231	7.4
137.02397	0.7
137.05974	0.8
139.00299	1.0
145.02872	1.6
146.03630	1.1
149.02374	8.7
149.06013	1.3
150.03168	43.9
151.03966	9.4
151.07590	0.6
157.01352	1.5
161.02283	0.5
163.03986	0.5
164.04718	2.6
165.05525	37.6
166.05780	1.6
171.02852	0.7
175.02385	1.9
177.05502	1.1
179.03358	0.8
179.07083	1.4
180.04247	3.4
180.33383	0.4
181.05016	2.9
189.04033	0.5
191.01888	0.5
195.06610	24.5
196.06895	0.9
209.11829	0.6
225.11212	0.5
227.29260	0.5
231.05144	1.9
235.06056	0.6
241.08673	0.5
249.06171	17.6
250.06392	0.7
263.61240	0.5
267.07217	10.2
268.07715	0.7
269.13995	1.3
284.10980	0.5
311.06281	0.5
311.09415	4.1
329.10349	0.7
343.11935	9.1
344.12173	1.0
369.59775	0.6
373.12955	0.7
391.14066	1.5
425.11105	0.8
427.12686	0.5
443.12222	1.1
444.12781	8.0
445.13385	2.2
449.20361	1.5
499.14618	1.1
581.22620	2.8
593.18805	1.1
609.18506	0.5
623.20074	7.6
624.19775	1.2
641.20972	100.0
642.21362	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	640.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.3
61.98718	100.0
62.98423	0.1
63.02307	0.1
64.42292	0.1
69.31500	1.3
69.31787	0.1
85.02875	0.1
107.01325	0.2
117.03371	0.2
125.02383	0.1
151.00304	0.3
169.01361	0.1
190.39696	0.1
268.03809	3.0
269.04611	17.2
270.04938	1.3
286.11273	0.1
413.08801	0.2
577.15759	10.3
578.16223	1.3
595.33826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.8
59.00998	0.8
59.01266	11.6
61.98716	44.0
69.29916	1.6
69.30336	3.9
71.01283	2.8
73.02829	1.0
81.95026	0.5
85.02843	2.1
86.02664	0.5
86.28040	0.5
89.02332	1.9
94.22174	0.5
95.01289	0.6
101.02357	1.1
103.03976	0.5
103.98145	0.5
109.02846	0.7
111.00816	0.6
113.02299	0.6
117.03383	5.0
121.02871	1.2
125.02338	0.6
131.01308	0.9
149.02368	0.8
151.00325	0.8
159.04431	0.5
161.02393	1.7
163.00345	0.8
166.02667	0.5
173.02394	2.3
175.00330	4.9
177.01952	0.7
178.99797	1.1
193.01518	0.5
198.98358	0.5
203.03555	0.6
237.05672	0.8
249.05730	0.7
269.04529	2.4
271.02661	1.3
281.04605	2.7
282.05417	4.6
283.06140	4.0
287.01987	0.9
293.04620	86.4
294.04996	7.6
295.06067	1.2
311.05695	12.3
312.06021	0.7
314.04456	2.3
315.01450	1.7
323.05771	3.2
332.01654	0.8
335.05713	1.1
341.06775	2.7
353.06555	0.6
413.08868	26.4
414.09262	3.3
457.11359	3.2
577.15729	100.0
578.16144	16.7
640.14832	0.5
641.13531	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	639.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17406	0.8
57.03326	3.3
58.00494	0.9
59.01263	20.9
62.73524	0.8
68.77959	0.8
68.78342	0.8
68.99700	1.5
69.03331	1.7
70.88459	1.5
70.88789	1.9
71.00910	1.5
71.01269	20.5
72.99194	5.2
73.02809	2.5
75.00369	1.5
75.00762	18.5
80.50705	0.7
83.01258	1.6
85.02837	16.8
85.53291	0.8
87.00759	7.9
89.02328	6.1
95.01270	4.5
99.00777	25.6
100.01080	0.7
101.02329	2.7
103.00246	1.4
109.02861	1.4
111.00769	1.9
111.08031	2.6
113.02354	21.4
115.00274	2.7
117.01838	2.6
117.19260	0.8
118.70470	0.7
119.03414	1.0
121.02847	1.4
129.01862	2.3
137.52638	0.8
139.00218	1.0
150.03091	0.9
153.01872	1.2
157.01352	3.7
163.25052	1.0
165.12807	24.2
166.13106	1.7
167.03413	1.2
175.02402	2.1
183.13866	77.8
184.14212	3.1
207.05147	1.0
209.11745	2.1
227.12859	9.6
231.05157	1.7
249.06194	14.1
267.07233	14.8
270.59708	0.9
301.16534	3.1
334.91589	0.8
343.11499	1.3
345.09869	1.8
347.92877	1.0
415.19861	11.4
459.18811	31.0
460.19153	4.6
477.19864	100.0
478.20203	10.4
499.02063	1.0
501.19809	1.4
519.20715	5.0
579.23022	1.1
594.31903	1.4
595.32770	3.9
639.25031	43.5
640.25671	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	639.1583
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
59.01265	6.8
61.98715	1.4
65.00223	1.5
71.60128	0.3
73.02831	0.8
75.00786	0.5
83.01276	1.2
85.02847	1.1
87.00775	0.4
89.02348	0.9
93.71309	0.4
94.34927	0.4
95.01321	0.5
96.95938	0.6
101.02337	1.0
107.01324	1.5
108.39595	0.4
113.02370	0.8
118.46490	0.5
124.01659	0.7
125.02362	0.5
125.99826	0.4
135.00819	0.6
137.02422	0.4
139.00351	0.5
143.04922	0.8
149.02412	0.6
150.03148	0.6
151.00307	7.6
151.03961	1.0
152.01028	0.5
159.04466	0.6
161.02345	0.6
163.00301	3.1
164.01093	0.5
166.97578	0.4
169.01399	0.7
171.04489	1.3
175.03894	0.6
178.99852	5.2
187.04008	1.9
190.58176	0.4
199.04048	2.8
201.01952	0.5
203.03476	5.8
213.01759	0.5
214.02536	0.6
215.03511	6.1
217.01385	1.1
222.31088	0.5
227.03604	0.6
231.03036	5.8
232.03596	0.6
241.01546	1.4
242.02272	1.6
243.03008	9.7
244.03595	0.5
258.01727	1.0
259.02515	17.4
260.02905	1.5
269.00937	1.2
270.01788	1.5
271.02539	20.1
272.02823	2.3
285.04111	1.6
286.01291	2.0
287.02039	34.4
288.02432	2.0
293.04630	4.2
297.00726	0.6
301.03534	2.0
302.04300	0.7
303.05075	0.5
311.05823	0.5
315.01541	61.7
316.02136	12.3
317.02716	0.7
329.03162	1.0
330.03873	72.0
331.04544	23.7
332.05200	1.9
391.14066	0.6
413.08707	0.9
443.16214	0.5
519.28125	1.9
535.32159	0.5
537.29022	0.8
577.16022	3.1
579.30078	0.7
639.15790	100.0
640.16077	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	638.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01265	11.1
69.80827	2.7
70.02870	17.3
71.01268	6.2
72.00787	0.5
72.99197	0.8
73.02843	0.9
75.00771	0.9
80.52270	0.4
83.01288	0.4
85.02841	2.4
87.00760	1.3
89.02328	2.2
91.05456	1.9
96.95915	1.2
96.99209	4.6
99.00762	0.7
101.02389	1.9
113.02338	2.0
114.01886	100.0
115.00350	0.5
115.02229	2.0
116.05013	0.5
117.03375	6.2
117.07071	0.5
118.06508	0.8
119.03440	0.6
129.01897	2.0
134.06046	18.8
135.04475	0.7
135.06354	0.5
137.02347	0.5
144.08087	1.5
146.04556	3.1
146.06049	1.7
150.03188	0.5
153.01942	0.5
160.07640	2.8
163.03815	0.5
165.05530	0.5
179.05554	0.8
183.06688	0.4
187.65663	0.4
188.07111	4.0
191.01891	0.5
195.06612	0.7
203.28348	0.4
232.06168	90.8
233.06525	6.3
239.70456	0.4
249.05977	0.5
264.08823	26.3
265.09232	1.7
267.07269	0.4
269.13919	0.5
287.02158	0.7
300.39258	0.4
301.03427	0.5
309.08490	0.5
313.03574	0.5
315.01639	0.9
323.96677	0.4
329.02985	0.5
330.03970	1.1
331.04504	0.7
391.26840	0.5
397.42072	0.4
477.17706	1.5
506.15527	0.6
536.27637	0.5
554.53564	0.5
594.32104	0.7
595.24835	0.7
595.33508	8.3
638.26825	0.7
639.15381	4.0
639.32788	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	637.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
58.00477	0.6
59.01263	28.6
60.01606	0.5
61.98720	4.8
68.99708	0.6
69.03340	1.1
69.91151	1.8
70.70549	0.5
71.01269	11.4
71.04914	0.4
72.99188	3.9
73.02843	1.8
75.00762	8.7
78.97820	0.4
81.03329	0.5
83.01276	0.8
83.04907	0.7
85.02842	9.9
86.42348	0.4
87.00787	3.1
88.98698	0.9
89.02338	3.9
91.56467	0.4
93.03370	0.5
95.01310	2.1
96.95917	2.0
97.02872	0.5
97.06501	0.9
98.19816	0.4
99.00774	6.2
99.04400	0.8
101.02341	2.0
103.00284	1.0
109.02788	0.4
111.00833	0.7
113.02357	9.6
114.93327	1.0
115.00284	1.7
116.92740	1.2
117.01854	1.2
119.03420	1.1
121.02822	0.5
123.04395	0.7
123.08057	1.0
129.01857	1.4
131.03413	0.5
134.03647	0.5
135.04419	0.6
137.02361	0.6
137.09619	0.4
137.35237	0.5
138.37616	0.4
139.11183	1.0
149.04451	0.6
150.03143	0.8
157.12305	0.6
161.04514	0.7
163.03902	0.4
167.03490	1.5
175.02417	1.3
176.96529	0.5
185.11792	6.5
189.12863	0.4
199.13402	0.7
205.12294	0.4
213.14935	1.1
214.12057	0.6
215.12811	0.6
223.13185	0.4
227.16298	0.5
233.11752	0.6
243.16029	0.8
249.06172	4.8
255.06856	0.4
257.17557	2.2
268.03824	18.5
268.06744	1.0
269.04391	3.6
269.17606	1.0
283.06171	39.6
284.06531	4.3
291.19775	2.0
309.20721	2.6
325.23923	6.3
326.24524	0.7
327.21832	29.9
328.22165	2.2
329.23447	4.3
330.23920	0.5
343.11871	0.5
373.26025	0.8
387.23962	0.9
389.25296	3.8
413.18137	1.3
457.25992	1.2
461.27576	1.3
477.34995	0.5
533.30457	0.5
575.30438	1.1
577.29199	2.9
578.28534	0.6
593.31964	3.2
594.32208	0.6
619.29779	1.0
637.30908	100.0
638.31323	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	637.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86197	0.3
51.14112	0.4
57.03337	1.8
59.01266	93.8
60.01604	0.9
61.98711	0.6
69.03357	0.5
71.00307	0.9
71.00649	0.7
71.01272	14.3
71.04904	0.5
71.73582	0.4
72.99193	0.7
73.02834	5.6
73.48049	0.4
75.00755	0.6
75.35407	0.3
83.01286	2.3
85.02844	5.6
87.00779	1.7
89.02335	7.4
90.67510	0.4
95.01305	1.6
96.95927	0.4
97.02868	0.7
97.06488	0.7
99.00787	1.4
101.02350	10.3
106.92132	0.4
111.00797	0.5
113.02355	7.6
119.03439	2.5
123.08091	1.0
125.02328	1.0
125.90045	0.4
129.25215	0.4
131.03374	0.5
134.03670	0.4
137.09676	0.5
143.03441	1.1
150.03163	1.0
152.08411	0.4
157.12282	1.6
159.02994	0.7
161.04524	1.0
165.05499	0.8
167.10730	0.5
181.53812	0.4
185.56981	0.5
190.02713	1.0
195.06688	0.6
205.05074	1.0
216.13396	0.5
259.19150	0.8
263.20343	2.0
275.20230	0.5
281.21204	0.5
293.21265	3.0
311.22403	1.7
329.23297	1.1
354.06195	0.5
359.14850	0.5
389.25516	1.3
441.14233	1.0
455.26587	2.4
473.27658	5.7
491.28967	1.4
493.41431	0.4
503.18646	0.4
533.20947	0.4
533.29309	0.5
551.30908	1.8
563.21350	1.2
575.21643	0.8
593.31909	100.0
594.32202	15.8
637.30945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11927	0.3
55.01775	0.6
57.03337	1.6
59.01264	26.4
61.98716	0.9
67.01779	0.5
68.30207	0.3
68.99686	0.4
69.03323	0.8
71.01270	9.5
71.59216	0.4
72.99199	3.3
73.02824	1.5
75.00764	9.7
81.03361	0.4
83.01270	0.9
83.04915	0.5
85.02839	9.0
87.00778	3.4
88.98695	0.9
89.02338	4.3
93.03358	0.7
95.01283	2.4
96.95920	1.7
97.06487	0.5
99.00777	5.3
99.04414	0.7
101.02340	2.2
101.05978	0.4
103.00243	0.9
112.01559	0.3
113.02354	8.9
113.09646	0.4
114.19048	0.4
115.00262	1.0
116.92768	2.1
117.01842	1.1
119.03405	0.7
121.02867	0.4
123.08063	1.2
129.01839	0.8
131.03421	0.6
137.02397	0.5
139.11218	1.9
149.02356	0.5
149.04430	0.3
152.60806	0.3
157.01338	0.6
157.12288	1.2
161.04430	0.5
163.75937	0.3
165.05458	0.5
175.02435	1.2
176.59492	0.4
177.12932	0.3
185.11797	8.4
186.12105	0.4
192.25813	0.4
195.13867	1.4
198.49062	0.4
214.12044	1.2
221.11792	0.4
228.59479	0.3
231.05064	0.4
236.02055	0.4
241.05197	0.4
247.20728	0.4
249.06180	6.0
267.07355	0.5
287.03073	0.3
289.18195	0.6
291.19702	2.0
307.19382	0.5
309.20752	2.4
325.23862	6.5
326.24228	0.5
327.21829	31.6
328.22174	2.9
329.23233	0.7
351.04929	0.7
360.17111	0.4
378.77454	0.4
387.24020	1.5
389.25565	0.7
415.14795	0.6
457.26297	0.6
461.27762	1.4
517.26935	0.5
575.30566	0.8
577.28656	3.5
593.31897	2.3
594.32446	0.5
619.29999	1.2
637.30933	100.0
638.31268	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	637.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
56.28183	0.3
57.03334	1.2
58.00488	0.5
59.01265	31.6
61.98709	1.6
66.93174	0.3
69.03352	0.4
69.32452	2.4
69.32871	1.2
71.01267	13.9
72.99196	1.6
73.02838	3.0
75.00761	1.7
80.87309	0.4
81.03339	0.4
81.68591	0.3
83.01259	2.0
83.04924	0.6
85.02831	2.9
87.00777	2.6
88.98708	1.2
89.02335	10.0
93.03351	0.6
95.01300	1.0
95.04922	0.5
96.95916	1.8
97.02839	1.7
97.06502	0.6
99.00764	1.3
99.04436	0.4
101.02345	10.0
103.00304	0.6
106.04121	0.4
109.02867	0.6
111.00811	0.4
111.04448	0.5
112.63949	0.4
113.02357	4.7
114.93328	0.9
116.92760	1.8
119.03420	2.8
121.02896	0.5
125.02342	2.1
131.03391	0.8
137.02359	0.4
141.01817	0.5
143.03421	1.5
149.02385	0.6
149.04486	0.7
150.03206	0.4
151.03943	0.9
159.11703	0.4
160.04086	0.3
161.04514	1.8
165.05573	0.4
177.12793	5.3
178.13130	0.4
179.05637	1.2
188.04738	0.4
189.38281	0.4
195.13879	64.8
196.14207	3.0
203.07095	0.5
203.10695	0.4
217.77271	0.3
221.06609	1.1
221.11798	1.5
235.08217	1.2
239.12883	6.1
253.09503	0.6
268.03781	1.9
269.04446	0.4
283.06195	3.7
284.06653	0.4
329.23428	0.8
339.56149	0.4
389.25436	1.5
397.13522	4.3
398.14240	0.5
399.78094	0.4
415.14752	2.7
415.76492	0.4
457.25922	0.5
588.87390	0.4
593.32416	1.4
637.27234	100.0
638.27576	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	637.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96713	1.0
51.61909	1.1
57.03325	5.2
59.00995	1.6
59.01267	19.5
59.26525	1.1
61.98701	3.7
69.03323	5.5
69.97980	7.7
71.01266	25.8
72.99178	1.3
73.02827	4.3
83.01266	2.5
83.04917	1.3
85.02858	5.9
89.02339	21.3
95.04963	1.4
96.95887	4.1
97.02833	2.7
97.06500	1.3
98.14219	1.1
98.19891	2.0
101.02339	7.3
109.02890	1.6
109.06519	1.4
111.08070	8.8
113.02351	5.1
113.19979	1.1
119.03458	1.3
121.02895	6.0
125.02380	9.9
131.03423	5.1
133.06511	17.3
149.04486	5.1
163.11235	1.6
165.12802	65.4
166.13141	5.1
181.12274	2.7
183.13875	87.5
184.14229	4.7
191.05606	2.3
191.10728	3.2
207.13957	1.2
209.04555	4.0
209.11830	9.2
227.12895	32.7
228.13275	1.7
233.06693	1.8
251.12993	4.4
269.13892	1.5
293.08835	25.1
294.09180	1.3
503.21536	4.8
513.59509	1.3
637.28790	100.0
637.38110	3.7
638.29169	16.8
638.38446	2.0
638.47369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	100.0
71.62770	0.3
77.64302	0.1
78.95805	0.2
106.89957	0.2
137.80199	0.1
149.06052	0.8
287.74405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2737
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
52.54821	1.4
57.11431	1.2
57.26391	1.3
57.31122	1.3
59.01266	14.6
69.36089	12.4
71.01257	5.9
73.02799	1.2
75.00758	1.7
85.02840	4.2
87.38444	1.3
88.97646	1.8
89.02329	4.0
89.61230	1.3
96.72388	1.4
96.95912	8.4
101.02373	2.3
108.04467	2.5
113.02343	3.9
119.03435	1.6
121.02773	2.0
122.06009	5.8
124.07587	2.1
131.03310	1.3
134.03705	2.1
134.06041	7.9
136.07567	3.4
139.06319	2.4
140.07074	9.1
146.06090	11.0
149.04712	3.7
150.05461	2.1
154.99683	1.6
160.01573	3.3
162.05553	5.5
164.03557	1.8
164.07114	5.2
166.04944	2.7
175.04001	3.1
179.05844	2.6
190.07350	1.7
212.10773	5.1
213.10397	2.2
226.07475	4.4
226.12372	12.2
227.08257	29.3
227.11777	2.7
239.08217	3.2
240.09056	7.7
241.09853	49.6
242.10484	10.8
243.11330	2.7
254.10593	5.1
255.11438	28.7
256.11865	2.0
259.96149	1.4
261.12381	2.3
267.11395	1.5
269.13013	42.3
270.13495	4.9
271.10931	3.7
271.14569	6.6
273.12399	7.0
284.11792	1.7
285.12521	5.7
286.09476	2.8
296.11603	1.8
301.12012	7.4
303.13596	12.7
313.12012	8.7
314.12686	5.5
315.13599	6.3
341.10242	1.5
342.81073	1.5
366.14667	4.0
378.18515	1.8
380.16449	6.6
381.16998	3.7
394.17905	5.6
408.15488	6.4
409.20059	2.3
422.17288	3.2
439.16394	3.2
452.18488	1.8
453.19302	9.1
454.19772	4.3
575.25128	20.5
576.25684	3.9
583.50928	1.4
591.30090	4.6
617.26282	100.0
618.26642	20.3
635.27338	75.1
636.27802	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	635.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52098	0.9
59.01271	5.1
59.03470	0.7
71.01263	2.8
72.99165	0.9
73.02840	1.3
75.00768	1.8
85.02853	2.7
87.00762	1.4
96.95922	6.5
101.02348	1.3
105.46824	0.9
108.04442	1.0
113.02351	2.0
113.14149	0.8
115.53774	0.8
120.23267	1.0
122.06037	4.6
124.07609	2.1
134.06020	5.4
135.06783	1.2
136.07585	2.7
138.05594	1.0
139.06351	1.8
140.07115	8.6
143.06546	0.9
146.06056	9.8
147.06862	2.3
149.04723	3.7
150.05522	2.2
153.53508	0.9
162.05556	3.5
164.03453	2.3
164.07115	4.7
166.05045	2.6
167.05832	1.5
179.05864	3.0
190.07506	1.4
209.11833	0.9
212.10905	5.6
213.10432	1.4
226.07487	5.0
226.12399	13.9
227.08267	29.9
227.11841	1.6
228.08646	2.1
230.24651	1.4
239.08249	3.2
240.09061	5.3
241.09840	46.0
242.10548	12.5
243.11299	3.2
253.09929	1.7
254.10622	5.5
255.11452	26.6
256.11667	2.3
257.12698	1.1
259.10889	1.8
261.12430	1.4
269.12994	45.1
270.10489	1.9
270.13669	6.8
271.11163	2.4
271.14584	7.8
272.08240	1.6
273.12442	6.2
284.11755	1.5
285.12469	4.5
286.12997	1.6
287.10410	1.3
295.10907	1.1
299.10428	1.0
301.12039	6.0
302.12589	2.0
303.13593	12.3
313.11990	9.5
314.12677	6.1
315.13446	10.1
316.10928	2.6
318.12460	1.1
364.16678	1.4
366.14731	3.0
378.18277	2.0
380.16275	7.9
381.16907	3.7
394.18011	6.0
408.15662	7.9
410.20758	1.5
422.17401	3.9
438.16901	1.7
449.20505	1.1
452.17987	1.8
453.19028	12.8
454.19867	3.9
473.16443	1.2
575.25153	24.6
576.25922	5.0
599.25580	1.1
617.26276	100.0
618.26636	18.7
635.27441	39.4
636.27789	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	634.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99047	0.8
59.01262	2.3
63.02272	1.8
65.00193	4.4
70.75185	3.1
79.23112	0.9
80.78783	1.2
80.79255	1.0
81.69517	1.1
82.78414	0.9
83.01261	1.5
93.03368	1.5
107.01268	7.5
108.02047	1.4
109.02853	5.0
113.02310	1.1
117.03358	2.0
121.02913	1.1
124.01564	1.5
125.02375	5.2
133.02893	4.1
134.02420	1.3
136.01607	1.8
137.02371	26.1
146.02426	1.6
149.02368	2.7
151.00307	17.6
153.01846	2.5
156.04500	2.7
161.02351	1.5
162.01901	5.1
163.02715	13.8
164.03473	15.1
175.03972	1.9
177.01874	3.3
178.99794	2.3
179.03462	3.4
191.03439	1.4
192.00571	1.4
193.01332	2.0
199.03996	2.1
205.01373	1.6
206.04564	3.9
211.04042	1.3
213.05624	1.4
217.05061	2.5
227.03487	6.2
229.05038	4.2
231.01703	2.0
232.02513	2.9
239.03482	1.7
240.04175	2.1
241.05008	3.9
242.23045	1.0
243.02957	1.8
249.54965	1.2
253.05177	2.1
255.02963	1.7
256.03824	9.0
257.04565	12.2
257.51846	0.9
268.03833	2.5
269.04596	5.7
271.06161	7.1
279.05331	1.5
280.03668	2.4
281.04666	9.6
282.04785	1.1
283.02567	1.0
283.06213	1.3
284.03268	42.9
284.05734	3.6
285.04095	96.7
286.04443	7.0
298.07376	1.4
299.05615	3.7
307.04880	3.2
308.05334	10.1
325.05881	2.6
326.06537	7.9
340.13226	1.0
427.52148	1.0
447.09451	1.1
459.11627	2.6
472.14722	31.6
473.14789	3.7
501.12872	1.7
514.15625	2.8
540.13525	3.3
589.16058	2.3
593.15277	28.1
594.15460	4.8
606.18420	7.8
607.17969	2.0
616.16821	6.9
617.17023	1.6
634.17871	100.0
635.18085	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	634.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00485	1.0
59.01262	12.0
63.12987	1.0
65.00243	1.0
69.63584	1.0
70.18552	1.0
70.74731	2.7
71.01268	5.2
73.02834	1.3
73.18864	1.1
83.01260	1.3
85.02850	2.5
89.02321	1.8
93.03349	2.0
95.01281	4.0
95.14518	1.3
97.02857	1.2
101.02369	2.1
109.02838	1.9
117.03375	5.2
121.02871	3.0
122.02359	7.8
123.04449	2.1
125.02358	3.5
131.01273	2.9
133.02858	3.8
134.02408	2.4
134.03610	1.5
135.04453	2.0
135.63850	1.1
136.01595	1.1
137.02435	5.2
147.04436	2.1
148.01608	5.2
148.50783	1.1
149.02408	5.2
150.03194	1.4
151.00333	1.6
151.03947	2.5
156.04532	1.8
159.04446	1.1
160.03946	2.8
161.02415	8.6
162.05458	1.0
163.00351	1.9
163.02690	9.8
163.03903	2.1
164.01085	1.5
164.03455	2.7
165.01863	5.0
166.02600	2.8
167.03441	2.6
172.03951	1.1
173.02382	2.0
174.05565	2.6
175.00311	9.7
175.03944	3.1
176.01103	2.8
176.03450	1.8
177.01871	4.3
178.02702	1.4
179.03407	5.6
188.03546	12.2
189.01859	2.1
191.03482	3.8
193.01382	3.5
199.04083	1.2
200.03531	3.2
201.01849	1.6
203.03497	5.8
205.01451	2.3
205.03551	1.5
206.04547	4.0
216.06641	2.1
217.01381	2.2
218.04529	6.0
230.04578	8.4
233.00575	1.1
235.02357	1.3
241.04922	2.4
253.05148	1.4
265.05051	1.7
269.04639	2.1
270.05283	2.0
271.06094	5.5
277.04977	1.4
281.04626	7.1
282.05200	3.9
283.06168	4.4
284.03293	2.8
285.04077	4.1
290.06894	1.9
293.04562	16.5
294.05228	1.7
295.06131	6.5
296.06131	1.1
297.03940	5.6
297.07086	1.2
298.04691	7.4
299.05698	11.7
305.04688	3.6
306.07861	1.3
308.08096	11.7
309.04083	14.5
309.07724	1.7
311.05609	5.3
321.06519	3.0
322.07593	4.9
323.05701	4.5
326.06860	2.0
327.05176	15.9
332.05670	6.8
339.07697	3.6
340.08298	1.2
341.06662	3.6
350.06750	17.3
352.10574	13.4
353.06564	1.3
357.06308	4.2
359.82199	1.2
367.07428	2.6
368.07880	5.2
380.07846	3.5
394.06046	1.3
398.09052	5.1
413.08652	3.7
429.08356	2.9
431.09991	2.8
452.09836	4.0
453.09845	1.1
457.11581	1.3
470.11182	7.0
472.14703	31.2
473.10181	2.1
486.14120	2.9
487.12097	1.1
495.24796	1.3
496.12500	3.3
514.13641	33.3
515.14185	6.3
577.15662	9.5
578.15558	1.2
593.15253	7.3
594.15820	1.8
616.16760	16.2
617.16956	2.7
634.17883	100.0
635.18060	18.4
647.68591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35890	0.9
55.01754	1.2
57.03319	1.8
58.00467	1.6
59.00959	2.0
59.01263	40.2
69.03339	2.7
71.01270	47.4
71.54725	1.2
72.37247	0.9
72.99192	2.5
73.02840	12.8
75.00758	1.2
77.79910	0.9
79.60435	0.8
83.01257	4.4
85.02848	14.5
87.00774	7.5
87.04403	2.9
89.02335	28.5
96.95921	4.0
97.02846	4.0
99.00765	4.6
101.02344	20.6
101.03011	1.1
103.03907	1.5
111.00787	1.3
113.02350	15.8
115.03905	3.1
117.50285	1.0
119.03409	2.4
125.02361	15.2
127.03896	1.0
131.03439	10.1
131.04933	1.1
132.05727	1.9
133.06517	83.9
134.06841	4.2
142.33473	1.0
143.03421	6.9
149.04469	7.0
149.51201	0.9
151.61261	0.9
155.18343	1.0
159.03035	1.1
161.04507	12.7
173.04524	1.1
191.05669	1.7
205.07095	5.7
217.63229	0.9
233.06693	2.8
275.07654	2.0
285.04193	1.3
293.08884	15.9
295.12064	2.1
366.48373	1.0
392.91663	1.1
427.16217	1.3
441.17737	50.5
442.17795	6.8
536.66138	1.0
573.21991	100.0
574.22223	14.0
593.15955	1.3
615.25281	1.6
633.24591	3.2
634.17560	1.4
658.42828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01890	1.2
59.01260	13.0
61.98711	4.0
69.85799	5.1
69.86211	2.4
71.01284	6.7
72.99207	1.6
76.03146	1.2
85.02842	3.6
87.00787	1.6
89.02328	5.7
92.04952	1.5
93.19624	1.2
94.06506	1.7
96.95908	13.4
98.19870	1.5
99.00790	1.9
101.02351	2.7
105.05759	2.5
107.03686	4.9
110.06040	9.1
113.02357	2.6
120.08106	48.7
121.05270	2.5
122.06041	88.8
123.06358	4.2
125.02398	1.6
134.06033	2.7
135.04321	1.6
136.07617	1.8
144.04469	5.1
149.04500	4.5
152.07132	1.5
153.84779	1.3
160.03966	2.4
161.04753	1.3
162.05544	3.1
164.07126	3.2
172.04013	1.7
173.04727	1.4
174.05547	9.0
188.03551	3.5
199.08803	1.7
200.07208	1.7
203.05832	7.9
204.06575	1.8
204.29666	1.3
223.08772	4.4
224.09213	1.4
225.14040	2.7
236.09511	7.9
237.10284	8.2
238.11069	1.8
239.11865	3.5
241.13333	1.9
249.10419	3.5
249.13976	2.7
250.11140	4.8
251.11938	35.9
252.12474	4.4
253.09782	1.9
263.08316	6.6
263.11957	5.1
264.09073	8.5
264.12610	1.9
265.09769	3.8
265.13507	8.8
266.10672	1.8
267.11237	2.1
268.08640	2.8
269.09454	1.9
276.09076	5.4
277.09863	34.2
278.10648	14.3
279.11530	7.4
280.12177	1.8
281.04706	1.7
281.09320	3.4
282.05457	2.5
282.10129	3.3
283.10941	3.6
287.14169	2.3
290.11234	1.6
291.11484	38.1
292.12250	47.1
293.04587	2.6
293.09583	2.3
293.13000	40.1
294.13544	5.0
295.10971	3.0
295.14563	2.0
301.11899	1.5
311.10565	2.5
314.04306	1.9
319.11072	1.8
324.11160	8.2
325.11945	1.8
325.15637	2.3
326.12863	1.7
335.10489	15.3
336.11139	17.2
337.10965	46.5
338.11420	7.0
343.12921	3.2
344.13736	2.0
346.15625	2.1
346.19717	1.7
349.54297	1.5
354.90048	1.4
358.15506	2.5
360.17319	6.3
362.19028	1.8
372.13382	2.0
372.17328	12.0
373.17911	3.1
374.18594	4.8
386.15012	3.5
390.18289	4.9
399.16132	1.8
400.16388	3.9
401.17328	1.4
402.18463	5.4
403.18896	2.6
405.17041	2.4
406.18082	2.5
413.17212	1.7
414.18289	16.7
415.18900	4.7
418.18082	8.9
419.18317	1.6
432.19452	12.1
433.20099	3.0
436.18826	3.9
438.02795	1.4
446.17139	1.5
447.18073	2.3
458.17148	4.8
459.18063	8.0
461.31146	1.5
476.18372	30.3
477.19073	19.1
478.19775	7.4
490.20145	12.2
495.24182	3.7
508.20999	89.2
509.21432	15.7
513.24786	2.0
525.25330	5.2
537.25305	13.7
538.25677	2.9
555.26355	23.2
556.26270	3.0
569.24377	4.0
581.24182	16.3
582.24884	3.6
599.25262	100.0
600.25519	17.4
601.26630	3.4
613.26758	16.2
614.26904	3.9
631.27832	71.7
632.28137	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51139	0.8
59.01266	5.3
60.99192	1.2
61.98703	1.2
71.01263	2.8
85.02840	3.3
88.98701	8.1
96.95945	1.0
101.02364	0.8
109.02870	1.9
113.02337	0.9
125.02327	1.0
133.02876	9.9
137.02370	1.0
149.02376	1.7
150.03195	1.9
161.02283	1.0
163.00301	0.9
163.03952	1.0
173.02357	1.8
175.00320	3.5
175.03964	2.2
177.01889	2.2
193.01401	1.2
201.01961	1.3
213.05481	1.2
229.93362	1.0
231.06709	0.9
265.05115	1.5
267.02979	2.5
269.04773	1.1
284.03421	4.3
285.04129	6.6
297.04102	14.0
297.15054	0.9
298.04868	10.5
299.05630	12.3
300.06012	1.1
309.04117	54.9
310.04401	5.7
311.05740	2.8
327.05151	69.5
328.05417	6.5
339.05127	2.0
357.06223	26.5
358.06549	2.3
369.06088	2.1
429.08356	9.8
473.10907	13.3
474.11307	1.5
593.15234	100.0
594.15479	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	631.2782
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
51.38756	1.0
59.01262	16.1
61.98727	5.3
69.25066	13.1
71.01255	4.0
71.37137	1.2
72.99185	1.0
85.02845	1.9
89.02321	1.3
94.06096	0.9
94.06538	10.7
95.04940	1.3
96.95913	8.4
101.02361	2.8
104.87332	1.1
110.06033	7.9
113.02330	1.9
116.92759	4.2
116.97160	1.0
120.08083	3.5
122.06044	12.5
128.36745	1.1
130.06560	1.5
132.07985	1.3
134.06052	3.9
136.07639	8.5
144.04463	3.2
146.06134	1.5
148.07642	1.2
160.03972	1.6
161.04703	1.4
161.07117	5.2
162.05550	1.6
162.06783	2.1
174.05595	12.5
175.06273	1.2
188.03453	1.7
188.07085	1.5
203.05829	6.0
204.06375	1.3
215.11841	3.9
226.11082	4.0
227.11752	1.4
228.76588	1.2
236.09633	1.8
237.10263	5.3
239.11870	4.2
241.13509	10.2
243.15062	11.9
257.15387	1.8
264.09122	2.2
267.11276	1.2
277.09955	2.8
278.10599	1.7
279.11475	3.8
281.09460	1.2
282.10126	4.1
283.10956	5.5
285.12503	1.7
287.14078	16.0
288.14465	1.8
293.09283	1.3
293.12933	2.9
294.10062	1.3
311.10416	4.4
312.11203	4.4
313.12018	4.1
313.18109	8.8
325.11908	2.0
331.19287	2.5
341.17697	1.7
343.13077	6.0
344.13998	1.9
345.14621	1.5
348.21463	1.6
358.15698	3.0
359.18604	1.8
370.19302	2.7
371.20020	1.7
372.17236	7.8
373.17856	3.7
374.19226	2.5
385.14258	1.8
386.15073	4.7
399.15802	1.6
400.16763	11.9
401.16562	1.8
405.16812	1.8
414.18307	12.7
415.19009	8.4
487.27420	1.6
493.26199	1.6
495.24106	4.3
513.25525	6.0
525.25226	2.3
537.25238	3.5
555.26117	17.1
556.26672	3.2
581.23932	2.6
587.28619	1.5
595.27655	10.3
596.27618	2.5
599.25244	25.4
600.25885	2.6
613.26624	2.4
631.27844	100.0
632.28223	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
57.03321	1.1
58.00477	0.8
59.01263	23.6
59.06268	0.3
59.45171	0.3
60.01596	0.3
61.98706	0.3
69.03344	1.1
69.72980	2.2
71.01268	16.0
72.01608	0.4
72.99194	1.4
73.02831	2.4
81.03355	1.1
83.01283	2.2
85.02846	3.7
87.00767	3.0
89.02339	15.8
89.47336	0.3
91.03899	0.3
95.01287	1.6
97.02863	2.2
97.06520	0.4
99.00768	1.5
101.02345	13.4
101.73198	0.3
102.02612	0.3
111.08046	1.1
113.02356	6.0
114.02662	0.3
119.03406	3.5
122.11982	0.4
124.36225	0.3
125.02367	3.7
131.03456	0.3
143.03467	1.7
161.04501	2.6
165.12794	12.4
166.13179	0.6
179.05565	1.4
181.12267	0.4
183.13870	82.4
184.14211	4.2
209.11830	0.9
221.06691	1.7
227.12888	9.4
228.13193	0.7
235.08229	1.8
253.09262	0.5
263.07751	0.4
305.59149	0.3
322.05270	0.3
397.13596	4.9
398.13837	0.5
415.14673	3.3
416.15048	0.4
542.26300	0.4
607.26184	0.9
625.27258	100.0
626.27576	15.4
626.38000	0.6
627.49347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32567	0.2
55.01766	0.5
57.03333	0.8
58.00480	0.9
59.01263	18.9
60.01592	0.3
61.98719	0.5
66.97812	0.2
68.99708	0.3
69.03344	0.9
69.78181	1.0
71.01266	14.3
72.99200	0.8
73.02840	2.0
75.00762	0.8
77.10294	0.2
80.24929	0.2
81.03361	0.9
83.01274	1.7
83.04869	0.2
84.56226	0.2
85.02840	3.4
87.00766	2.4
88.98702	0.7
89.02335	11.1
91.03915	0.4
95.01291	0.8
96.26766	0.2
96.95917	0.3
97.02853	1.8
98.20538	0.4
99.00777	1.1
101.02340	9.9
103.00295	0.2
109.02884	0.3
111.00762	0.3
111.04456	0.3
111.08067	0.9
113.02352	4.5
113.03165	0.2
115.03921	0.3
119.03415	2.5
121.02883	0.4
124.01550	0.2
125.02363	2.5
129.01807	0.2
131.03403	0.6
133.04982	0.5
139.03935	0.3
143.03372	1.0
143.07056	0.5
149.04478	0.3
161.04494	1.5
165.05510	0.2
165.12796	10.8
166.13185	0.6
179.04112	0.2
179.05540	1.0
183.13866	71.9
184.14227	3.8
209.11765	0.8
211.09927	0.4
221.06656	1.2
227.12880	9.3
228.13242	0.7
235.08237	1.5
253.09120	0.4
263.07809	0.2
288.31903	0.2
301.16531	0.3
355.13889	1.1
356.18188	0.2
373.15027	0.5
397.13571	4.8
398.14120	0.3
415.14630	2.7
416.15167	0.3
435.44098	0.2
521.33136	0.8
565.22778	0.3
581.33942	0.3
607.26318	0.4
625.27197	100.0
626.27496	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
56.99694	0.1
57.03339	1.1
58.00478	1.0
59.01265	20.8
60.01608	0.2
61.98715	0.3
68.99712	0.2
69.03346	1.0
70.73761	0.2
70.74138	0.2
71.01271	16.3
72.01595	0.2
72.99197	1.5
73.02835	2.7
75.00765	0.5
81.03348	0.5
83.01279	2.0
83.04910	0.2
85.02843	4.1
86.00001	0.2
87.00772	3.1
88.67034	0.1
88.98742	0.1
89.02340	13.1
90.02676	0.2
91.03902	0.1
93.03366	0.2
95.01294	1.0
95.04926	0.2
96.95935	0.2
97.02848	2.2
97.06503	0.5
99.00785	1.1
99.04444	0.2
101.02347	11.9
102.02693	0.3
103.00274	0.2
103.03899	0.1
109.02851	0.2
111.00756	0.4
111.04439	0.4
111.08061	1.0
112.01560	0.1
113.02358	5.5
114.02661	0.2
115.03943	0.3
119.03422	2.6
121.02898	0.3
123.00822	0.2
123.04439	0.2
124.01599	0.1
125.02361	2.7
127.03940	0.2
131.03426	0.5
133.04979	0.3
135.04416	0.1
137.02348	0.1
139.03944	0.3
141.01848	0.3
143.03444	1.4
149.04474	0.3
151.03943	0.1
161.04514	1.7
163.03915	0.2
163.11244	0.2
164.11821	0.1
165.12798	10.2
166.13153	0.4
167.03482	0.2
179.05591	1.1
181.12442	0.1
183.13870	67.2
184.14207	3.9
185.04489	0.4
191.10721	0.1
209.11832	1.0
217.07147	0.1
221.06635	1.3
227.12891	8.5
228.13237	0.6
235.08224	1.6
245.06746	0.2
249.06140	0.2
253.09215	0.6
263.07819	0.3
269.04611	0.2
287.07813	0.1
397.13602	4.5
398.13898	0.4
415.14679	3.4
416.14960	0.2
445.21121	0.2
455.43939	0.1
462.09601	0.3
463.10364	0.2
483.39523	0.1
505.33554	0.2
521.33539	0.5
581.35211	0.2
607.26166	0.6
621.91077	0.1
625.27222	100.0
626.27576	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	625.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03326	1.4
57.43533	1.2
59.01265	35.0
69.50166	10.2
71.01275	17.3
72.99188	2.7
73.02834	3.9
76.31921	1.2
81.03342	1.9
83.01260	1.8
83.04932	2.5
85.02844	10.7
87.00784	2.1
89.02333	9.0
92.14167	1.5
93.03366	3.5
95.01277	1.9
95.61069	1.4
96.95897	2.1
97.02834	1.7
98.17650	1.3
99.00779	3.2
101.02357	12.1
109.02849	1.5
113.02333	7.2
119.03407	1.9
120.67467	1.3
121.02857	5.3
122.03660	13.6
125.02363	3.3
133.02866	3.6
134.03636	1.6
137.02376	3.6
139.03940	1.6
149.02370	26.5
149.06017	1.9
150.03162	94.1
151.00244	2.1
151.03598	4.2
161.04581	2.8
162.03188	1.5
163.11241	2.1
164.04730	8.1
165.05515	100.0
166.06039	5.1
167.07068	1.7
175.02490	1.6
179.05498	1.9
180.04303	6.3
181.04825	1.4
181.08649	4.9
193.04999	2.4
195.06595	52.9
196.06870	2.8
209.11809	39.7
227.12947	8.8
301.03586	1.4
314.11584	3.0
316.02359	1.9
325.13013	9.4
329.14047	7.7
343.14188	4.8
379.16385	1.6
385.14917	2.6
397.13599	14.1
415.14819	9.1
421.18698	7.3
463.09073	2.8
473.18231	46.1
474.18640	6.0
491.19391	19.2
492.19702	2.4
521.20227	5.4
521.33221	3.8
533.20471	35.5
534.21124	6.3
539.21521	4.7
581.22675	13.9
582.22644	1.6
625.22021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43932	1.2
55.01756	2.0
57.03328	4.6
58.00476	1.6
59.01267	68.8
69.03332	1.8
70.47730	4.6
71.01272	29.6
72.99191	3.3
73.02841	9.2
75.00761	2.4
80.78947	1.1
83.01282	7.1
85.02837	22.9
85.99950	1.4
86.03178	1.9
87.00764	5.1
89.02341	6.5
93.03349	5.0
95.01277	3.1
95.04906	2.1
96.95911	2.8
97.02847	2.3
99.00784	4.7
101.01792	1.7
101.02354	16.5
107.01325	1.5
108.02041	2.0
109.02853	4.1
113.02361	7.5
115.00279	1.8
119.03410	2.8
119.04907	1.9
120.28801	1.1
121.02872	8.0
122.03651	12.1
123.00781	2.0
123.04462	2.6
124.01566	4.0
125.02345	9.8
129.01823	1.4
130.11201	1.1
132.02110	2.2
133.02876	13.1
134.03679	2.8
136.01584	2.6
137.02388	18.0
138.03133	4.8
139.03920	5.4
147.04382	2.3
149.02386	70.4
149.06038	6.2
150.03171	84.5
151.00311	5.0
151.04001	7.5
152.04684	2.6
153.01897	1.2
161.02377	2.5
161.04517	2.4
161.06105	1.2
162.03122	2.7
163.03900	1.9
164.04765	15.2
165.01872	2.0
165.05524	65.2
166.06233	8.3
167.07098	2.7
175.02390	4.4
175.03888	1.4
177.05521	4.7
178.99800	3.6
180.04251	11.0
181.05042	6.0
181.08655	8.6
194.05916	2.6
195.06613	44.9
196.06952	1.6
207.06602	2.4
209.08101	1.6
209.11789	4.4
213.67963	1.3
216.18977	1.3
227.12881	1.6
242.02225	2.5
259.02502	1.5
270.01709	1.8
271.02594	12.0
272.02725	1.4
283.09750	2.1
287.02039	4.1
300.02841	1.7
314.11728	7.0
315.12436	2.4
316.02313	28.2
317.03015	12.9
325.13095	16.4
329.13989	21.1
330.14270	3.0
343.14142	7.3
361.12927	3.7
369.18488	1.3
375.14499	2.2
385.15234	4.6
391.14169	11.2
397.13675	1.8
406.16367	12.6
407.16620	1.9
421.18793	86.3
422.19193	9.3
458.16162	1.3
463.08908	32.0
464.08987	4.4
473.18243	100.0
474.18524	12.2
491.19360	41.3
492.19943	3.0
493.19342	5.2
521.20557	8.1
533.20398	63.2
534.20697	10.5
539.21722	9.2
581.22559	48.9
582.22961	7.3
625.13922	5.9
625.22754	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	625.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42402	0.4
59.01260	5.0
59.06007	0.5
69.60503	3.8
71.01266	4.0
73.02844	0.6
85.02803	1.1
89.01396	0.5
89.02346	3.9
101.02345	2.8
107.01299	0.9
107.95066	0.6
109.02837	0.7
109.10744	0.4
113.02336	1.1
119.03411	1.1
121.02869	0.7
124.01615	1.5
125.02390	1.0
131.03464	0.6
136.01529	0.5
137.02376	1.4
138.34702	0.5
140.23135	0.5
149.02344	0.8
149.04478	1.3
151.00310	5.5
152.01048	1.4
161.02414	0.6
163.00334	1.1
164.01102	2.0
165.01886	0.6
169.01340	0.7
174.27940	0.5
175.00339	0.6
178.99808	6.5
190.99710	0.4
191.05424	0.5
192.00397	0.5
204.04218	1.2
214.02721	5.1
215.03325	0.8
219.03090	0.5
231.03024	0.8
236.93097	0.5
242.02180	5.6
243.02995	2.9
255.03094	0.7
255.06097	0.5
259.02509	5.1
261.07861	0.6
270.01794	6.3
271.02542	34.9
272.02783	3.1
287.02017	19.1
287.05350	0.7
288.02539	2.2
299.01987	0.9
300.02844	1.9
301.03604	0.9
315.01541	1.1
316.02301	85.6
317.02856	14.4
318.03549	0.8
359.04196	0.6
375.08075	0.7
453.89917	0.6
463.09174	1.3
493.22940	1.9
499.60501	0.6
505.09866	0.8
625.14233	100.0
625.26379	4.8
626.14618	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
52.55608	1.8
55.84690	1.7
57.03318	3.1
59.01265	18.8
63.02253	5.1
65.00206	11.0
69.96864	9.8
71.01279	11.2
72.99175	3.7
73.02828	3.4
75.00748	4.2
83.01257	8.0
85.02824	5.6
87.00747	4.7
88.37444	1.8
89.02314	5.8
89.17537	1.6
93.03331	7.2
95.01254	5.5
95.71088	1.6
96.95854	2.9
99.00799	4.2
101.02345	3.3
106.44467	1.6
107.01271	14.1
108.02092	3.4
109.02855	19.3
111.00787	10.9
113.02322	5.9
117.03313	5.1
121.02816	5.2
123.00787	8.4
124.01556	3.5
125.02323	6.8
133.02859	4.4
135.00739	4.4
137.02324	5.9
137.99411	1.8
139.00287	12.6
143.04901	3.4
145.02829	6.3
149.02368	4.0
150.03084	5.7
151.00307	54.6
152.01004	5.9
153.01874	30.6
155.04881	2.9
157.02864	1.7
159.04401	6.6
161.06047	1.9
163.00269	8.2
164.01044	3.9
164.98222	2.3
165.01878	2.8
165.05475	5.2
166.99768	3.4
169.01283	4.7
169.02637	2.1
169.31581	1.8
171.04469	9.5
173.02367	2.2
174.03223	3.2
175.03903	2.9
177.01819	2.0
177.99034	3.2
178.99821	35.6
181.01343	4.8
183.04346	5.1
187.03867	5.2
188.04691	3.6
189.01866	2.8
192.00577	2.5
193.01328	3.8
195.06494	2.3
199.03909	7.6
203.03433	3.8
206.99400	11.2
208.00134	2.7
209.00797	4.3
213.01808	2.3
214.02553	2.6
215.03502	8.7
216.04100	5.2
217.04970	7.9
227.03479	9.6
229.01382	2.1
229.04982	3.1
231.02884	5.0
241.01178	2.4
242.02113	4.9
243.03030	13.5
245.04466	5.6
255.03011	24.5
256.03302	2.8
259.02432	7.7
270.01675	6.6
271.02539	46.5
272.03168	11.3
273.03882	6.5
283.02536	4.2
284.03268	15.5
285.04062	14.7
287.02042	12.7
289.03455	2.3
298.01184	2.7
299.02036	63.0
299.05325	3.8
300.02585	11.4
301.03528	8.6
316.02280	31.5
317.02972	26.6
390.16287	2.5
447.09927	2.6
459.11929	4.0
477.17661	6.4
487.11029	2.9
489.12549	3.6
513.12244	4.2
517.12238	2.9
520.32318	2.1
521.33215	8.4
525.15729	4.6
579.13086	2.1
581.14929	6.2
607.13049	17.7
608.13416	3.1
624.25452	3.3
625.14056	100.0
626.15015	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	625.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	10.5
65.00200	1.9
71.01262	6.4
72.99198	1.7
73.02811	1.4
75.00762	1.2
83.01274	1.9
83.04913	1.3
85.02822	3.9
87.00751	3.6
89.02358	4.8
93.03345	2.9
95.01294	1.5
97.02845	1.7
99.00741	1.2
99.04414	1.0
101.02330	4.2
107.01292	1.5
108.02054	1.6
109.02852	7.2
109.99986	3.6
111.00772	2.3
113.02330	2.6
117.03351	2.4
119.03373	1.2
121.02836	2.2
121.14349	0.8
123.00780	3.3
123.04385	1.4
124.01584	1.9
125.02331	3.6
131.01294	2.2
133.02831	3.5
135.04375	1.6
136.01563	1.3
136.98717	1.3
137.02377	5.5
137.99486	2.1
139.00299	7.1
141.01897	0.8
143.04955	0.8
147.00826	0.9
148.01553	1.3
149.02388	8.1
149.04227	1.0
150.03117	1.9
151.00314	5.5
151.03934	1.9
152.01044	3.1
153.01852	3.1
154.02589	0.8
159.04451	1.3
161.02368	4.2
163.00327	4.7
163.11151	0.8
164.01018	1.8
165.01871	4.2
165.05469	1.7
165.99025	5.0
166.02567	2.4
166.99707	3.2
167.03357	1.9
171.04480	1.0
173.02335	1.2
173.06042	0.9
175.00331	7.1
175.03922	2.2
176.01099	3.7
177.01930	6.0
177.05571	0.8
178.99857	6.2
179.03387	3.1
180.00514	0.8
181.01364	1.4
183.04402	0.9
184.03394	0.8
187.03954	1.4
189.01895	3.8
190.99878	3.9
191.03488	2.4
192.00522	2.2
193.01389	5.6
194.02040	1.5
194.99319	1.0
195.06677	1.2
198.03178	1.1
199.03883	2.2
201.01913	1.7
201.05388	0.9
202.99785	1.6
203.03378	3.6
204.00676	0.8
205.01393	5.6
206.99352	0.9
207.02899	2.8
209.00911	1.2
209.04460	1.0
209.09927	1.2
209.11806	17.8
211.04047	2.0
213.01897	0.9
213.05487	1.1
214.02612	0.9
215.03395	2.3
217.01364	3.2
219.02943	2.7
221.00893	1.7
221.04478	1.1
223.02327	1.8
224.87924	0.9
227.03517	3.7
227.12724	2.3
231.02907	3.3
233.00832	2.1
235.02505	1.4
241.04997	1.4
242.02179	2.9
243.02954	4.2
244.03381	1.1
245.04407	1.2
247.02515	1.0
255.02974	4.7
259.02423	2.2
261.00455	1.2
268.03470	0.8
269.04556	2.3
270.01694	3.4
271.02548	22.2
271.05582	1.7
272.03049	3.6
273.03995	1.4
281.04495	1.1
283.02536	1.0
283.06113	1.9
285.03986	1.5
287.02060	8.0
288.02606	3.3
289.02951	1.4
293.04636	2.0
295.02460	1.5
297.04013	2.8
298.04535	1.1
299.02020	23.0
299.05341	1.6
300.02441	3.3
301.03326	2.0
309.03922	1.7
311.05582	1.7
313.03314	1.9
315.01373	1.3
315.04944	0.9
316.02286	38.7
317.03012	16.2
318.03308	1.0
323.05521	1.2
327.05084	2.1
329.34726	0.8
341.02954	2.0
341.06558	2.0
343.04901	1.1
359.04083	3.2
360.04132	1.1
367.06873	1.1
371.03806	1.2
389.05255	1.6
395.06140	3.2
397.13611	4.7
401.17981	1.2
415.14410	3.1
417.08389	1.0
421.18820	1.4
449.20325	1.2
461.07251	2.9
463.08548	1.6
463.14618	1.5
471.11389	1.3
473.10886	1.2
473.17932	1.6
473.25653	0.8
487.10306	1.7
489.12277	1.4
490.60123	0.8
493.19391	1.1
505.09619	14.0
506.10141	1.9
515.10510	2.8
577.15717	1.7
579.14020	1.0
581.14789	1.2
592.14331	1.8
597.14093	1.1
607.13928	4.1
625.14117	100.0
626.14526	15.2
639.52258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29642	0.6
57.03362	1.5
59.01264	6.4
61.98748	1.8
63.02317	2.1
65.00208	8.6
65.13033	0.6
68.99709	0.8
71.01276	4.8
72.99221	1.2
73.02870	1.1
75.00777	1.7
81.03360	1.1
83.01272	5.5
85.02874	2.7
87.00811	1.0
88.98724	1.5
89.02370	2.0
91.01825	1.0
93.03368	1.4
95.01302	1.3
99.00813	2.0
101.02381	1.8
105.68027	0.6
107.01294	11.7
108.02116	2.9
109.02863	53.1
110.03229	1.7
111.00825	1.8
113.02385	2.6
117.03354	1.4
119.97927	0.6
121.02882	1.4
123.00826	2.3
123.04444	0.7
125.02352	4.7
133.02881	0.9
135.00800	1.6
135.04361	0.9
137.02344	4.0
139.00279	3.9
147.04369	0.8
149.02425	1.3
151.00310	44.7
152.00746	1.9
153.01880	100.0
154.02232	3.4
161.02365	1.1
163.00317	10.9
164.01042	1.0
165.01913	1.5
166.99779	3.2
167.03445	1.1
168.00565	1.6
169.01384	3.5
175.00339	1.2
176.00807	0.6
177.01863	2.7
178.99820	13.4
179.03452	1.5
181.01398	3.1
189.01703	0.7
190.32565	0.7
190.99818	1.7
191.03470	0.7
192.00533	0.9
193.01357	1.8
194.99298	2.6
195.02943	1.2
199.04030	0.9
203.03596	0.7
205.01353	2.9
206.99339	19.6
207.99812	1.2
215.03458	1.3
217.01431	0.8
227.03380	1.7
235.02505	2.0
242.02222	0.8
243.02898	2.1
245.04506	1.4
253.04988	1.0
255.02930	2.2
257.04553	0.9
268.03702	1.7
269.04614	8.9
270.01846	0.8
270.04788	1.1
271.02420	4.5
271.05606	1.0
272.03146	0.9
273.03961	2.6
284.02985	1.4
284.09909	0.8
285.04089	4.2
287.05374	1.4
299.01840	3.2
299.05328	1.4
309.07800	1.1
316.02042	2.5
316.05447	0.8
317.02808	2.6
317.06458	1.5
337.06998	2.1
343.11737	1.1
344.12070	0.9
345.12109	0.8
357.12323	0.7
367.08032	1.2
431.09424	0.9
459.11578	11.5
460.11676	1.4
461.12381	2.7
475.11984	0.6
477.11945	0.9
487.10956	14.3
488.10980	1.6
489.12732	3.5
501.11923	2.2
503.10242	1.5
505.11026	1.5
505.20325	2.9
515.03424	0.7
515.10474	8.2
516.11151	3.5
517.11462	1.0
520.31763	1.0
521.32343	2.0
523.21936	1.1
567.16724	1.0
579.13226	0.9
581.14563	2.3
595.17725	3.1
597.13855	2.5
607.12946	6.1
608.13251	1.0
624.19897	0.8
625.14105	33.5
625.30530	1.2
626.14771	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	623.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.3
59.01265	100.0
61.98723	5.8
70.00075	2.7
70.12885	10.0
70.13296	6.2
71.01270	39.7
73.02837	26.6
75.00774	5.9
75.39128	2.7
83.01277	7.6
85.02850	15.6
87.00755	4.1
89.02342	13.7
101.02348	34.4
101.29197	2.8
113.02355	24.5
119.03410	6.7
121.02874	10.6
131.03455	3.3
134.03627	3.5
135.04399	3.7
143.03418	4.7
145.02890	3.8
146.03651	4.9
149.04541	3.1
149.05995	3.8
151.04002	3.3
161.04475	8.4
165.01868	7.0
175.03993	3.8
179.07144	8.8
253.04919	4.7
281.08154	3.7
283.09793	12.6
311.09378	24.3
325.10764	4.6
326.11603	21.7
327.12250	4.9
329.14017	5.2
341.13919	30.1
401.05103	3.0
473.18787	4.7
485.18201	9.2
491.19159	8.5
503.19513	6.9
519.32031	22.6
533.20483	26.2
534.20667	5.0
537.32861	9.1
541.32660	2.9
545.20184	16.8
553.57715	4.0
562.52863	3.4
579.33942	12.4
623.23627	8.7
623.32861	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	623.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11811	0.8
55.01754	1.3
57.03337	3.2
58.00478	1.6
59.01265	35.3
61.42619	0.8
61.98692	1.1
67.01781	1.8
68.99719	2.5
69.03353	1.7
69.39449	7.3
69.39862	2.1
71.01270	27.5
72.99195	9.6
73.02831	6.5
75.00764	18.2
78.17826	0.9
79.21039	1.0
83.01279	2.7
85.02845	22.1
87.00777	7.8
87.64674	1.0
89.02337	8.7
91.03906	0.9
93.03362	1.1
95.01292	7.6
97.06480	1.0
99.00784	12.1
99.04490	1.0
101.02375	6.3
103.00309	1.2
103.03964	1.0
107.01333	1.4
108.02097	1.4
109.02879	2.0
111.00803	3.4
113.02351	23.2
113.97672	1.1
115.00295	3.3
117.01842	3.3
119.03417	1.4
121.02876	7.7
123.04443	2.1
125.02389	1.7
129.01884	2.7
135.04465	1.9
137.02345	1.1
139.00313	1.3
142.21085	1.0
145.02873	1.9
150.03175	0.9
151.00294	4.4
153.01921	2.2
157.01324	2.0
159.04443	1.1
161.04549	1.8
161.06024	1.0
162.03267	0.9
163.03973	1.4
171.02954	1.3
175.02472	2.3
175.03903	1.4
177.05518	1.7
178.99918	1.9
193.01297	1.0
213.67809	1.2
219.06438	1.1
231.05132	2.5
237.05537	1.9
237.07721	3.7
239.07321	1.2
240.04362	1.8
241.05110	1.7
242.38780	0.8
243.02869	0.9
245.17474	1.0
249.06175	21.8
249.08580	1.6
250.06535	1.2
253.05034	1.2
253.08745	1.5
255.06662	3.0
259.19055	1.0
267.06894	10.5
268.03922	2.1
268.07404	3.4
269.04651	5.3
269.08282	14.9
270.05206	1.0
270.08618	0.8
271.02704	2.3
280.07507	1.8
281.08240	5.7
282.08835	1.2
283.09705	8.2
284.10526	2.9
285.04126	2.5
295.09872	4.2
296.10626	1.7
297.04144	3.8
299.13034	2.1
310.08551	1.5
311.09363	9.4
311.12805	1.7
312.09570	1.7
315.01532	1.8
317.03204	1.5
322.08588	1.5
323.09454	3.2
325.10919	3.0
328.09589	3.2
329.10352	1.7
337.10968	2.0
340.09579	11.8
341.10324	4.0
343.11923	19.9
344.12326	2.7
355.11969	15.4
356.12311	2.4
401.16037	2.9
403.14017	2.6
406.10181	1.1
427.16446	1.3
429.15857	1.2
459.11755	1.2
470.41306	1.2
519.31873	15.7
520.32074	1.4
537.32788	2.7
575.18048	2.3
576.54199	1.2
577.15564	1.2
579.34314	1.7
587.17114	1.6
593.09253	1.5
593.18848	28.1
594.19159	6.2
595.91895	0.9
605.19049	16.9
606.18439	2.0
623.20013	100.0
624.20459	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	623.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03322	1.7
58.00468	0.6
59.01264	45.8
60.01590	0.7
61.98710	2.4
65.00212	1.1
69.03333	0.7
69.04417	0.4
71.01270	13.2
71.55515	0.6
71.55886	0.5
72.01583	0.5
72.99187	1.9
73.02843	3.1
74.35004	0.3
75.00761	1.5
83.01268	1.9
85.02838	6.0
86.03217	0.5
87.00773	3.4
87.04420	0.6
88.98692	2.1
89.02343	6.7
93.03366	0.5
95.01276	1.4
96.95892	2.3
97.02847	0.5
97.06510	0.4
98.95518	0.6
99.00770	2.2
99.04446	0.5
101.02343	7.7
107.04933	0.5
109.02856	0.6
113.02351	7.3
119.03387	2.3
125.02389	0.8
129.01831	0.4
131.03432	0.5
135.04482	0.5
135.08051	0.5
140.20592	0.5
143.03397	0.6
147.04475	0.4
149.04482	0.7
149.06010	0.9
161.04510	2.0
165.05403	0.9
179.05528	0.6
181.12413	0.4
195.06720	0.6
201.05582	0.7
227.03452	0.5
240.04697	0.4
241.08736	2.8
249.05806	1.0
260.74689	0.5
266.05844	0.8
267.06744	1.5
271.37576	0.5
275.07211	0.6
277.05222	0.8
279.06635	0.7
289.05301	1.0
290.05759	0.6
291.06775	0.8
293.08270	1.0
294.05124	0.7
301.05255	0.8
301.08618	0.9
302.09592	0.6
303.06668	1.3
305.04678	2.3
305.08017	0.5
307.09763	0.6
309.07904	0.6
314.05301	0.5
315.25397	1.2
317.04556	2.0
317.08243	1.5
319.06134	2.6
319.09937	1.9
320.06531	0.8
321.07712	0.9
327.06723	0.9
328.11044	0.5
329.08105	1.1
330.05154	0.5
330.08911	0.8
331.06168	1.6
332.03290	1.0
333.04083	1.9
334.08337	0.6
335.09274	5.4
336.10077	10.5
337.10815	10.4
338.11230	0.8
339.06580	0.8
341.04459	0.6
341.08105	0.7
343.06052	1.3
345.07806	1.0
346.04599	0.7
347.05606	1.6
355.06165	3.8
356.06833	0.8
356.10712	1.1
357.04071	9.2
357.07870	2.6
357.26306	0.8
358.04559	1.3
358.08533	3.5
359.05365	1.1
361.03470	2.6
366.04984	0.6
367.05981	2.3
368.07175	0.5
369.03714	0.7
369.07837	0.8
371.13022	1.4
373.03372	1.7
373.07281	3.6
373.11215	0.8
373.25922	1.3
374.07901	1.8
374.26440	0.9
375.27103	1.4
376.09595	0.7
381.11584	0.8
383.05353	3.7
383.08591	0.6
383.09830	0.8
384.06113	3.3
384.10657	0.8
385.03488	0.9
385.07407	4.3
386.03860	0.7
387.05118	2.1
389.10284	1.0
399.12469	23.0
400.13052	3.2
401.06714	6.5
402.07458	5.5
415.11841	1.0
417.13531	15.0
418.14069	2.3
443.11432	100.0
444.11795	12.5
445.05551	1.5
446.06570	0.7
459.29816	2.3
460.08060	1.6
461.07938	0.9
461.13266	1.1
477.30884	1.0
479.13040	0.5
502.31290	2.4
503.13235	0.8
503.32254	6.7
519.31744	1.9
520.32520	1.1
521.32935	1.6
537.32861	0.7
561.32031	0.5
562.33167	0.7
563.34082	1.4
578.32898	1.2
579.33911	30.0
580.34430	2.5
622.31256	0.6
623.14130	2.9
623.33008	3.6
624.17249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03336	1.6
58.00492	0.8
59.01267	19.1
61.98712	0.8
71.01263	10.7
71.16257	1.2
71.16600	1.5
72.99201	1.0
73.02835	4.2
74.02355	2.0
75.00764	3.2
79.15759	0.6
83.01278	1.1
85.02847	6.7
87.00757	1.2
89.02337	6.7
96.95906	3.0
96.98419	0.7
99.00778	1.4
99.04413	1.7
99.92461	1.3
101.02348	7.2
102.01894	1.1
108.04666	0.8
113.02354	6.3
116.03448	2.0
116.92779	12.4
117.01847	1.9
117.03004	0.9
117.05467	1.3
119.03421	1.9
129.01855	1.1
134.03691	0.8
143.03448	0.8
145.44058	0.8
149.02361	0.8
150.03076	1.2
151.03918	1.0
152.01111	1.3
161.04439	1.5
165.04047	0.9
165.05463	0.8
175.02534	1.1
175.03958	1.3
179.10768	0.9
190.06262	1.5
191.01950	1.8
191.07072	1.6
193.05103	1.7
199.03706	0.7
207.06676	0.8
208.07329	1.0
241.09917	1.0
243.03067	1.1
245.17613	2.9
271.02548	31.5
272.03149	4.3
285.04065	1.1
299.02036	29.5
300.02814	58.0
301.03372	10.1
313.03595	2.7
314.04395	17.8
315.05167	36.6
316.05444	4.1
329.03137	1.0
357.06345	0.8
357.26498	1.1
389.16153	8.1
414.05737	0.7
432.20071	0.8
443.18796	1.7
477.10382	1.1
519.24945	1.1
519.31952	14.5
520.31915	1.2
537.33008	3.8
579.34143	2.7
597.21704	0.7
605.26086	1.0
608.14008	1.4
623.16272	100.0
624.16541	18.8
624.25238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84462	0.3
54.26599	0.3
59.01264	3.1
63.02284	0.5
65.00198	0.6
66.18202	0.3
69.58530	0.6
69.58924	2.1
70.55222	0.3
71.01270	1.9
72.02103	0.3
72.99195	0.3
73.02834	0.7
83.01281	0.6
85.02837	0.9
89.02336	1.1
98.20548	0.6
98.41726	0.3
101.02337	0.7
101.03869	0.4
107.01298	0.8
108.02106	0.4
113.02361	0.8
121.02905	0.4
125.02353	0.4
145.02882	1.3
151.00313	5.1
151.03969	0.4
152.04671	0.3
153.01845	0.5
159.04453	0.4
163.03957	0.4
164.01082	0.4
165.01845	0.5
167.04921	0.5
169.01396	0.4
171.04474	0.8
175.03954	1.2
176.04649	0.6
178.99887	0.5
180.04294	0.8
183.04442	1.5
185.02435	0.4
187.04025	0.7
188.04713	0.4
189.05484	0.5
190.06319	1.7
191.07109	0.9
193.04991	0.9
199.03984	5.8
200.04439	0.4
201.01981	0.6
203.03464	0.7
204.04269	0.4
205.08733	1.4
207.06639	0.4
208.07388	1.1
211.03995	0.8
215.03474	2.2
226.02667	0.5
227.03485	5.2
228.03795	0.4
242.02205	3.4
243.03017	25.4
244.03447	2.1
253.39522	0.3
254.02254	0.7
255.03023	12.7
256.03485	1.3
257.04590	3.8
259.06296	0.4
270.01712	3.3
271.02533	36.6
272.03024	3.6
283.67776	0.3
284.03210	0.4
285.01035	0.4
285.04120	5.9
286.04883	2.7
287.05664	1.2
299.02032	51.9
300.02747	19.3
301.03207	1.5
313.03571	0.9
314.04391	47.3
315.05133	35.9
316.05502	2.6
357.06122	0.9
366.11081	0.3
389.16150	9.1
390.16568	0.9
399.44144	0.3
419.16953	0.4
443.22812	1.6
519.31854	2.5
537.33270	0.6
623.16296	100.0
624.16656	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	621.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54405	0.4
55.01767	1.2
57.03344	1.3
59.01266	97.3
60.01615	1.0
61.98722	1.1
62.15161	0.5
69.86255	0.5
71.01270	10.5
71.54776	0.5
72.99212	0.9
73.02843	4.8
75.00764	1.4
80.25267	0.5
83.01275	2.6
85.02845	6.3
86.03213	0.5
87.00771	1.2
88.98705	0.9
89.02343	3.0
95.01293	1.1
96.95900	3.1
97.06516	0.5
99.00778	2.0
101.02341	8.7
104.16413	0.5
111.00810	1.0
113.02377	5.0
116.92755	1.7
119.03401	0.5
123.08105	1.4
125.02351	1.2
129.01884	0.6
131.03377	0.6
141.08232	0.5
143.03413	0.9
149.04492	0.5
152.08435	0.7
159.03036	0.6
161.04488	1.4
171.13863	0.7
223.95584	0.6
277.21915	2.3
283.89377	0.6
295.22852	1.9
335.11450	0.5
362.19638	0.9
373.26065	4.1
421.26022	1.1
439.27011	4.1
457.28223	6.1
458.28223	0.5
475.29504	2.9
501.30719	2.6
517.30035	0.9
519.32001	1.1
535.31512	1.7
559.30920	0.9
577.32391	100.0
578.32703	15.5
621.30756	1.6
636.12933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03325	1.0
59.01264	100.0
60.01609	1.5
69.30602	5.6
70.86782	0.6
71.01271	11.3
72.99187	0.6
73.02828	3.4
83.01298	1.8
85.02839	5.9
87.00809	0.8
89.02330	4.6
95.01299	0.6
96.95911	5.9
98.95491	1.2
99.00780	1.3
101.02339	7.4
112.11123	0.5
113.02357	4.8
119.03403	1.0
143.03439	0.9
159.40662	0.5
161.04526	1.4
176.57422	0.6
245.26788	0.6
247.20778	0.7
263.20157	0.6
288.17462	0.5
295.22815	2.2
321.85876	0.6
350.87231	0.5
355.24625	0.6
373.26044	2.4
422.48462	0.6
439.27112	1.4
457.28287	2.8
475.29205	1.4
493.69196	0.6
501.30807	3.3
517.29956	1.7
517.82568	0.5
519.31879	0.9
535.31360	2.2
577.32410	97.0
578.32709	17.4
646.34320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.1
57.03342	1.9
59.01266	100.0
60.01605	0.9
71.01273	22.8
71.63120	0.8
72.99216	1.0
73.02841	5.8
75.00774	1.1
78.87643	0.5
78.95789	0.6
81.03369	0.7
83.01290	3.2
85.02846	12.1
87.00787	2.1
88.98671	0.5
89.02351	3.8
93.03346	0.5
95.01307	2.0
96.95920	13.9
99.00790	3.9
101.02352	15.1
106.02695	0.5
111.00834	0.9
113.02361	8.3
115.00365	0.5
119.03413	0.9
124.01588	0.6
125.02360	1.1
129.01892	1.2
131.03430	0.5
137.02454	0.7
143.03391	1.0
146.64827	0.5
148.41222	0.5
150.03175	0.7
153.18456	0.6
159.03000	1.6
160.03995	0.7
161.04514	4.7
198.09164	0.5
207.22168	0.5
249.06305	0.6
266.87799	0.5
373.22531	1.0
421.18625	0.8
517.26660	36.5
518.27100	4.4
535.27728	13.8
536.28357	2.2
577.28955	3.3
578.28723	0.7
621.22742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26504	0.6
55.01774	1.2
57.03340	0.9
59.01267	99.2
60.01574	0.8
62.01184	0.6
69.03328	0.8
71.01271	8.8
71.60908	0.8
73.02838	3.6
75.00775	0.8
79.95652	0.7
83.01299	2.0
85.02855	5.1
89.02355	1.1
95.01319	1.2
96.77662	0.6
96.95934	0.9
97.02833	0.7
99.00789	1.6
101.02348	6.3
111.00799	1.2
113.02386	3.5
123.08083	2.0
138.12790	0.6
146.57771	0.6
161.04436	1.4
205.78972	0.7
277.21851	2.4
295.22958	1.4
348.92868	0.7
356.19846	0.7
373.25955	1.0
421.25705	1.6
439.27158	5.0
457.28107	5.6
475.29178	2.0
501.30515	1.2
502.61664	0.8
517.30225	0.9
535.31598	1.6
559.31213	0.8
577.32422	100.0
578.32776	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	621.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03345	0.4
57.16470	0.3
59.01268	7.9
61.98700	0.3
70.73705	0.7
70.74091	0.7
71.01268	3.1
72.99198	0.3
73.02827	1.1
74.02367	0.5
75.00777	0.9
76.89333	0.3
81.36890	0.3
83.01267	0.5
84.02078	0.5
85.02842	2.2
85.75273	0.3
87.00787	0.5
89.02354	1.3
95.01304	0.6
96.95915	4.1
99.00758	0.6
101.02363	1.8
109.02860	1.9
113.02347	1.8
116.92768	3.7
117.01891	0.8
117.05490	0.3
119.03444	0.6
121.02872	0.7
123.00793	1.8
123.04424	0.6
125.02372	1.1
133.02911	0.4
137.02379	8.8
138.03096	0.4
139.03947	0.6
149.02390	1.6
150.03162	0.7
151.00307	17.7
151.03949	1.0
152.01094	1.6
152.04735	1.4
153.01866	0.4
154.99767	0.3
159.04431	0.3
161.04573	0.5
163.03947	0.7
164.04723	0.4
165.01910	0.9
166.02672	52.0
166.26869	0.3
167.03325	2.9
173.02324	0.3
175.03952	1.1
177.01907	2.5
177.05544	0.5
178.02563	0.5
179.07199	0.3
181.05032	65.5
182.05391	2.9
184.03732	1.2
187.03989	0.3
190.02751	0.4
190.06380	0.9
191.03500	0.9
192.04221	0.8
193.05046	0.9
195.02939	0.8
195.06677	0.4
205.05009	1.0
205.08745	0.7
207.06648	0.9
209.04477	0.5
219.06555	0.6
267.07135	0.3
270.04700	0.4
327.12415	0.7
329.10391	0.4
355.24997	0.8
357.10007	0.5
359.11508	1.8
371.14896	0.4
375.33633	0.3
387.10971	12.7
388.11450	1.0
402.13287	6.6
403.13782	1.0
417.15646	100.0
418.15961	12.8
499.28964	0.7
517.30206	1.3
535.31085	0.6
546.60895	0.3
577.32532	3.7
621.23486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21537	0.8
50.45422	0.9
53.12768	0.9
55.01757	1.4
57.03344	1.4
59.01264	100.0
60.01604	1.2
71.01265	21.9
71.42714	0.8
71.61934	1.6
73.02828	6.7
73.97331	0.8
83.01267	4.5
85.02844	11.0
87.00771	2.3
89.02345	5.4
95.01294	3.4
96.95898	2.3
97.02853	1.4
98.02351	1.3
98.95483	1.1
99.00778	2.5
101.02339	14.9
107.04847	0.8
111.00838	1.2
113.02366	10.0
119.03444	2.5
124.01516	1.3
143.03418	1.2
149.04408	1.1
150.03241	1.3
159.02983	1.5
160.01476	1.1
161.04510	6.8
174.03218	0.8
175.03909	2.1
210.60280	0.9
227.12860	3.0
254.05827	1.0
308.26080	1.1
323.41022	0.9
426.13748	1.6
459.12888	1.0
517.26636	43.7
518.26886	6.9
535.27686	18.6
536.27942	2.6
577.28552	5.4
621.25317	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	619.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79094	0.3
52.49359	0.3
53.44201	0.3
58.57648	0.3
59.01265	100.0
60.01604	1.1
63.92557	0.3
66.42319	0.3
69.97868	1.0
69.98268	0.9
78.95770	0.5
96.95913	0.5
98.20560	0.4
99.64732	0.3
106.04140	1.2
107.04936	0.4
108.02071	0.4
119.04964	1.7
137.06013	49.3
138.03207	0.4
138.06366	2.2
183.46303	0.4
277.21768	2.2
279.53586	0.3
328.79318	0.4
380.87869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98796	2.6
57.58495	2.5
59.01253	8.9
62.72818	2.3
71.01250	4.3
71.60257	2.8
73.02819	3.7
73.90869	2.4
74.11161	2.4
75.28145	2.7
77.52200	2.9
81.03333	3.0
83.01257	2.7
85.02834	5.4
89.02362	3.0
96.95912	10.9
98.02368	4.0
102.25137	2.9
107.04904	3.6
117.03356	4.6
121.02846	15.4
123.04472	3.2
124.12119	3.0
125.02345	3.7
135.04460	3.8
137.02374	5.7
147.04408	3.6
148.03976	4.0
149.02435	4.5
150.03148	4.3
151.03929	5.2
160.03951	5.9
161.02364	4.0
163.03967	3.6
165.01796	3.2
167.03526	3.9
171.51492	2.8
177.01852	6.3
179.03445	5.4
180.04256	2.9
191.03471	3.2
199.03972	2.7
205.01381	3.0
205.03722	5.2
207.02905	4.3
209.04514	3.1
216.06670	3.9
273.12546	4.9
295.06244	3.4
297.07617	6.6
298.04849	5.2
299.05444	3.2
311.05554	6.0
312.36340	2.9
325.07068	7.0
335.12503	21.9
338.08981	17.2
353.06754	16.7
365.06927	4.0
368.10272	3.6
369.06247	8.3
380.07928	4.1
383.07654	8.4
392.07758	6.0
399.07254	8.4
410.08868	12.4
422.08563	5.9
429.08215	3.1
440.10178	16.7
442.10989	3.2
443.09521	3.4
458.13510	6.0
465.51245	3.5
473.11017	5.3
480.16208	3.0
482.10721	5.3
500.12061	17.7
501.12769	3.9
503.12622	3.4
512.12146	6.3
530.13074	16.3
563.14160	25.8
564.14270	3.0
579.13910	4.5
602.15460	12.7
620.16266	100.0
621.15979	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	619.1685
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01268	3.5
60.11406	0.2
63.02272	1.5
64.25055	0.2
65.00212	0.9
69.98187	0.9
71.01260	1.2
72.99217	0.3
73.02834	0.4
75.00774	0.2
81.03351	0.2
83.01270	0.9
85.02834	0.7
89.02340	0.9
93.03345	0.4
96.95914	12.8
98.19878	0.2
99.00797	0.3
101.02337	0.6
105.03374	0.2
107.01305	1.8
108.83020	0.2
113.02364	0.6
117.03383	3.3
118.03719	0.2
119.03404	0.3
121.02843	0.3
123.04423	0.2
125.02370	0.3
129.41200	0.2
131.03432	0.2
132.93661	0.2
133.02797	0.2
135.04430	0.2
137.02406	0.5
137.97241	0.2
143.03372	0.2
148.01563	0.2
149.02383	1.1
149.04466	0.4
151.00323	1.7
154.99802	0.4
157.06473	0.2
159.04462	1.3
161.02388	0.9
165.05536	0.4
167.03484	0.2
169.01277	0.2
169.06554	0.5
171.04459	0.7
181.06610	0.3
183.04485	0.7
185.18527	0.2
195.06642	0.4
196.05258	0.6
197.06073	0.5
199.03952	0.2
201.05611	0.6
211.03951	0.7
213.05679	0.2
223.52945	0.2
224.04732	0.4
225.05612	1.2
227.03499	0.4
239.03532	1.1
240.04282	1.5
241.04982	0.3
255.76666	0.2
267.03088	0.7
268.03830	21.2
269.04602	100.0
270.04953	8.5
282.37769	0.2
283.06110	0.2
293.04694	0.4
293.10220	0.4
299.63004	0.2
311.05881	0.2
312.09964	0.2
353.12656	0.2
425.13129	0.3
455.09839	0.7
457.11404	0.2
473.10767	0.2
485.45862	0.2
533.20667	0.2
559.14227	0.3
577.15631	1.8
578.15692	0.4
601.23120	0.2
619.16803	51.9
620.17145	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	619.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
58.00507	1.4
59.01266	26.3
61.98701	1.9
65.30476	0.8
69.03336	4.1
71.01270	100.0
71.61948	1.1
72.01614	1.3
72.99205	2.7
73.02837	14.0
75.00765	1.6
81.03356	1.3
83.01268	3.6
83.45920	0.8
85.02842	19.7
87.00767	7.4
89.02336	31.5
96.05446	0.7
96.95920	6.1
97.02834	4.9
99.00783	2.6
101.02342	25.0
111.00788	1.1
113.02357	18.2
116.92750	0.9
119.03460	1.2
125.02374	22.7
125.35423	0.8
126.02682	0.8
129.01877	1.5
131.03429	40.4
132.05708	1.1
133.06526	21.1
134.06903	0.8
143.03426	2.5
149.02524	0.8
149.04500	11.5
150.03084	0.9
161.04454	1.2
165.05623	1.3
167.03473	1.8
173.04544	1.2
191.05540	6.6
203.05609	13.1
221.06601	4.7
233.06627	2.4
257.13632	0.8
275.07684	1.6
281.08646	0.9
293.08850	17.9
294.09171	1.1
323.09909	11.6
365.10956	5.3
425.13107	54.4
426.13416	5.5
559.20496	4.3
612.66663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2575
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.12814	1.4
61.98721	22.4
64.41110	1.3
71.52902	3.2
78.95786	4.4
89.63142	1.5
152.99493	2.8
255.23322	3.0
255.78575	1.8
279.11533	1.7
303.22336	1.5
307.59641	1.6
401.14169	2.1
415.15665	3.4
416.16492	15.4
417.16974	2.5
430.17975	4.0
431.18799	3.1
459.18332	100.0
460.18585	14.1
473.19907	13.0
474.20374	4.3
501.19409	2.2
518.19714	40.9
519.20013	8.0
532.21240	6.4
533.22089	70.7
534.22021	11.3
587.23303	6.3
619.25793	72.0
619.34998	2.5
620.25989	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	616.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	0.3
59.01267	0.6
61.98697	0.5
68.99700	0.4
69.54469	0.8
69.54874	2.5
70.02868	16.0
71.01269	1.4
73.32834	0.3
74.63236	0.3
83.04930	0.6
84.52688	0.4
96.95905	0.5
96.99213	27.3
97.99523	0.5
98.19746	0.3
99.08064	0.8
100.07583	97.1
101.05985	0.9
101.07912	2.4
114.01878	5.5
115.00285	1.3
126.09161	5.0
129.01884	0.4
144.06694	0.3
154.08678	32.0
155.09004	1.0
165.05524	0.7
181.05054	0.4
195.06567	0.4
198.07695	100.0
199.08025	4.6
225.01932	0.3
230.10352	36.2
231.10681	1.4
413.39389	0.3
484.85623	0.4
626.24951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03344	3.7
58.00466	0.6
59.01266	44.8
60.01598	0.4
61.98720	2.3
62.56952	0.5
67.01764	0.6
68.99699	0.5
69.03335	1.4
71.01272	17.9
71.04892	0.6
71.60656	0.7
71.61036	0.5
72.95589	0.4
72.99200	5.1
73.02827	3.1
75.00764	13.5
78.95759	0.4
80.91569	1.0
83.01253	1.3
83.04922	1.2
84.02058	0.4
85.02845	20.1
85.03367	1.0
85.03963	0.6
86.03236	0.6
87.00765	6.0
87.04401	1.3
88.98697	0.5
89.02336	6.4
91.03920	0.4
93.03339	0.7
94.97951	0.7
95.01286	4.1
96.95906	9.2
99.00782	9.4
99.04443	2.2
101.02347	3.1
103.00274	2.2
107.04921	0.5
109.02855	1.0
111.00764	0.5
113.02358	27.2
115.00268	1.7
117.01857	2.5
117.05485	9.6
119.03445	0.7
120.08096	0.4
121.02869	0.5
123.04477	0.7
125.02380	1.1
125.05996	0.6
127.03868	0.5
129.01828	1.9
131.03406	1.4
133.01378	0.5
135.04456	0.9
137.02324	1.7
139.04025	0.6
139.11194	0.5
145.02856	0.5
149.02348	0.5
149.04462	1.8
150.03099	1.0
150.05453	0.5
151.03987	0.5
157.01381	1.0
161.04468	1.2
161.09691	2.6
161.13254	1.3
163.11215	1.2
165.01915	3.7
165.05527	0.9
166.97003	0.4
167.03435	0.8
175.02443	2.9
178.68668	0.4
179.03430	0.6
179.10728	0.5
180.04204	1.9
183.10307	0.5
187.11292	2.7
189.09158	0.8
192.04234	0.5
193.03502	1.6
195.06586	3.4
196.26782	0.4
201.91200	0.4
205.07109	2.9
205.12335	2.0
207.10210	1.1
215.35072	0.5
223.08232	1.0
223.13293	0.7
224.31741	0.5
225.07648	2.0
231.05052	1.8
235.08110	0.7
249.06194	13.4
267.07266	13.2
268.07672	0.6
286.10565	0.7
291.07202	1.1
309.08322	7.9
310.08578	0.8
349.11481	2.9
367.12518	32.2
368.13058	2.3
391.17654	1.3
441.21249	0.7
485.20648	0.6
517.19293	1.1
555.24823	0.7
557.22589	1.5
559.20441	2.4
569.24103	2.0
573.26129	0.6
599.23730	3.0
617.24597	100.0
618.25000	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42893	0.4
52.70640	0.4
59.01269	4.0
61.23350	0.5
61.98727	0.6
67.01784	0.8
70.88957	1.6
71.01273	1.3
72.99220	0.7
73.02829	0.5
73.10991	0.5
75.00767	0.8
75.26157	0.5
78.91779	0.5
85.02856	1.6
85.60643	0.4
89.02328	1.1
96.95911	2.3
98.95535	0.6
101.02356	0.9
109.02868	2.0
113.02388	1.3
121.02930	0.6
122.03654	0.8
124.01634	0.6
129.33728	0.5
135.00769	0.7
135.04457	0.5
136.01616	3.0
137.02377	17.3
138.02684	0.7
143.03474	0.4
147.00841	0.6
149.02371	1.2
149.10709	0.4
150.03159	4.9
151.04005	2.3
160.01561	0.5
160.04004	1.4
163.03923	0.8
164.01123	2.8
165.01881	100.0
165.05516	4.7
166.02177	4.3
167.03537	0.5
175.03998	0.6
176.04683	0.5
177.05565	0.4
179.03461	25.5
179.06961	1.0
179.83836	0.4
180.04247	54.7
181.04562	2.6
184.87949	0.5
185.11736	0.8
187.52765	0.4
190.03821	0.5
193.05025	0.6
194.05801	5.7
195.02991	3.0
195.06606	71.9
196.06944	4.6
209.07999	0.6
210.05313	11.6
223.09711	0.5
225.07687	71.7
226.08003	4.7
249.06096	0.6
257.11856	0.6
268.07309	0.5
269.08099	0.8
270.05194	0.5
270.09015	1.5
285.11328	1.2
298.08624	0.6
299.09329	1.1
299.12781	0.8
311.09363	0.8
313.10901	1.0
314.07941	1.8
325.10962	0.6
326.08029	0.8
326.11478	0.9
327.12418	1.9
328.13229	4.8
329.10306	4.2
330.10852	0.5
341.10410	4.4
341.13916	0.8
342.10770	1.1
343.15665	0.9
344.12683	5.5
345.13419	1.1
356.12747	1.7
359.15091	17.7
360.15451	1.7
371.15039	14.5
372.15503	1.9
389.16098	2.6
452.43933	0.5
458.99640	0.6
493.18649	0.5
507.16681	1.1
522.18634	0.9
537.21906	5.4
538.21936	0.6
549.21417	1.2
567.22467	45.6
568.22839	9.5
615.24609	8.5
616.24554	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	615.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85026	0.2
59.01266	100.0
60.01608	0.9
68.14606	0.2
70.17068	0.4
70.17419	0.8
77.39063	0.2
98.20509	0.3
99.62881	0.2
106.04150	0.5
123.04452	0.4
131.04953	0.5
132.05746	0.8
133.06523	36.5
134.06883	1.7
148.89467	0.2
277.21783	4.6
278.22076	0.5
290.30191	0.2
291.23575	0.3
313.48959	0.2
345.98270	0.2
356.01563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38945	0.3
59.01271	3.2
61.98722	0.9
69.49121	1.8
69.49554	0.9
71.01289	1.3
71.04935	0.3
72.99199	0.7
73.02850	0.3
75.00765	0.7
85.02847	0.9
87.00778	0.4
88.98696	0.4
89.02334	1.1
96.95914	1.5
97.02857	0.5
99.00829	0.4
101.02348	0.7
109.02874	0.8
113.02357	0.7
121.02905	0.8
130.04172	0.6
133.02872	0.3
135.04430	0.3
137.02393	2.4
139.03963	1.4
143.04971	0.3
146.03683	1.9
149.02243	0.5
151.03949	0.4
152.01064	0.4
158.03673	0.5
159.04437	1.1
159.08122	0.6
160.05284	0.5
161.04462	0.4
163.03909	0.8
165.01875	11.3
165.05562	0.6
166.02483	0.5
169.06558	0.9
171.04410	0.4
171.08162	0.5
172.05222	3.3
173.05946	0.6
174.03192	4.4
175.03914	0.8
177.05568	0.3
179.03456	2.5
180.04236	7.1
181.04921	0.6
185.06050	0.6
186.06853	2.2
187.03990	2.4
187.07599	1.8
188.04741	3.8
189.05501	0.5
190.06311	1.0
191.06993	0.5
193.04941	0.5
194.05745	1.6
195.06612	8.4
195.08345	0.7
196.05141	0.5
196.06834	0.4
197.06052	1.4
198.06827	0.9
199.03914	1.9
199.07634	2.3
200.04770	5.1
201.05421	0.6
202.02658	0.9
203.07159	0.5
205.08611	0.7
207.06540	0.5
208.07449	0.5
210.05322	1.2
213.05559	6.0
214.06351	27.0
215.07120	58.7
216.07477	3.9
225.05562	0.7
225.07651	6.2
227.03555	0.6
241.05025	0.7
243.06650	100.0
244.07027	7.7
244.09500	0.4
259.06192	0.9
269.04672	0.6
283.06244	0.7
287.05676	55.2
288.05991	4.8
345.13470	0.5
359.15125	4.6
435.07263	0.6
567.22443	5.6
568.22729	0.6
615.25555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93540	1.4
59.01262	15.1
61.98716	6.9
65.03867	1.7
70.51105	2.7
70.51508	2.9
71.01286	2.3
72.84239	1.4
73.02848	1.8
75.00749	1.5
80.27274	1.5
85.02824	2.2
89.02332	2.4
94.50678	1.3
96.95937	3.8
101.02351	1.9
108.02072	3.1
109.02855	11.9
113.02348	2.4
116.85046	1.7
121.02885	28.4
123.00831	3.5
123.04453	6.2
124.01568	1.7
138.03177	4.2
149.02365	8.2
150.03180	1.6
161.02426	1.6
164.01080	3.0
165.01927	2.7
177.01970	2.4
191.10751	6.2
199.03867	1.6
211.03993	6.5
213.05510	4.0
220.99550	1.4
225.05586	2.5
226.02646	1.8
227.03496	5.4
239.03740	2.0
240.04356	2.4
241.05028	7.2
242.02072	1.7
253.05074	6.6
254.02332	3.6
255.03041	18.7
255.06664	3.8
256.03696	6.7
257.04507	9.3
267.03030	3.0
268.03891	8.8
268.06845	1.7
269.04620	29.1
270.05276	12.7
271.06097	5.6
272.06967	4.2
273.07748	3.7
280.34830	1.6
281.01108	3.7
281.04611	3.9
282.05264	2.2
283.06219	7.3
284.06888	6.7
285.07706	4.3
287.09512	2.5
296.03433	2.8
297.04163	13.2
297.07452	3.0
298.04834	1.9
299.09372	14.2
312.06494	4.5
315.08835	6.8
327.08820	100.0
328.09222	8.5
347.05432	3.1
359.06027	2.1
373.07199	1.8
375.05157	1.8
389.06610	2.8
401.06750	2.1
405.10104	1.6
418.07123	4.7
419.11218	5.2
432.08572	2.1
433.09317	10.1
445.09314	3.0
448.11185	3.2
461.08307	1.8
463.14212	2.5
473.08865	3.2
491.13611	36.5
492.13950	3.1
493.39398	1.8
503.13708	5.1
535.59955	1.8
577.15918	4.6
583.08893	1.9
585.17871	11.8
586.18182	2.3
595.16309	2.4
613.17401	35.5
613.38928	1.7
614.17981	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	613.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59941	5.0
59.01274	9.9
61.98721	14.7
71.01273	17.8
71.58989	8.5
81.03351	10.3
83.01273	16.4
85.02853	15.9
88.20454	5.4
89.02343	9.3
90.80819	5.1
93.03354	21.3
94.97124	4.7
95.01296	11.2
95.04922	12.4
96.95919	9.0
97.02855	20.0
99.00788	5.1
101.02314	8.9
107.01267	10.9
107.04922	5.4
109.02857	15.5
111.04399	5.3
113.02368	11.4
117.03416	8.5
121.02863	35.3
122.24438	5.2
123.00789	11.5
123.04453	27.5
125.02405	36.0
129.01823	5.3
133.02887	12.4
135.00757	5.5
135.04449	13.4
137.02385	34.6
139.03958	16.8
147.04428	8.2
149.02397	30.9
149.06000	5.6
150.03122	9.2
151.00305	6.9
151.03931	26.6
153.01865	23.6
155.03403	5.9
161.02382	11.8
163.00386	9.7
163.03957	17.2
164.01106	6.6
165.01859	22.5
165.05545	12.4
166.02618	10.3
167.03447	42.4
175.03955	11.6
176.26591	5.1
177.01900	29.1
177.05540	6.1
178.02528	8.9
179.03419	35.6
180.04196	14.5
181.01378	8.9
181.04962	5.6
187.03940	4.7
189.01941	7.8
191.01930	8.0
191.03447	40.1
192.00491	4.7
193.01385	21.1
193.04930	9.7
194.01842	5.0
195.02965	29.9
195.06673	5.7
197.04416	5.2
203.03415	10.1
205.01433	19.2
205.05180	6.7
207.03067	41.4
207.75504	4.9
208.03407	8.4
209.02771	7.9
209.04562	99.7
210.05055	6.4
213.05768	6.5
217.01535	7.0
219.02975	51.4
221.00951	11.4
221.04567	11.0
223.02429	22.9
225.03967	18.9
231.03001	6.9
233.04593	8.4
235.02438	43.1
237.04056	18.6
239.05563	27.2
247.02550	17.2
249.03981	28.4
251.01956	8.3
253.03580	16.6
261.04077	13.9
263.02078	7.8
265.03568	26.6
269.04388	8.0
269.06973	8.6
273.06210	6.9
277.03702	6.4
279.05142	12.5
283.06152	17.2
293.03149	6.4
295.04718	9.0
297.07275	7.4
301.07159	7.4
309.06400	8.7
311.05618	12.2
312.06058	5.8
313.07214	10.4
323.05582	7.9
325.06900	9.0
327.04684	7.5
328.06100	8.0
329.08987	8.3
339.05042	5.4
341.06436	17.4
353.06653	34.6
354.06842	6.0
355.07504	8.7
356.07455	5.7
357.06305	15.9
365.06720	5.8
367.06647	9.1
369.06183	18.6
371.07748	12.7
383.07965	28.5
385.05908	16.6
387.07239	12.3
399.07217	12.7
403.06284	8.3
413.08762	7.7
415.06830	21.1
419.12112	22.0
429.08835	8.4
433.07953	7.4
443.09848	11.2
445.08890	7.9
457.10086	50.5
458.10376	10.7
461.10715	7.5
462.20862	7.1
463.08917	14.1
473.10767	9.3
475.09003	36.3
476.11115	25.6
477.10934	9.2
493.10168	36.8
503.11624	6.3
505.10022	34.5
506.10541	13.7
523.11536	9.9
539.14410	12.0
563.14093	84.8
564.14355	8.3
579.13623	41.8
580.14258	10.2
595.12909	18.9
596.13519	29.2
597.14508	6.8
613.14142	100.0
613.23578	6.6
613.32007	6.3
614.14545	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	613.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31105	2.2
57.01783	2.4
59.01241	11.3
60.15516	2.8
67.01775	3.9
68.99699	3.1
69.03333	4.1
71.01278	14.3
72.99171	2.5
73.02831	2.8
75.00751	3.7
81.03332	9.1
83.01266	13.3
85.02837	11.3
87.00741	3.1
89.02332	5.0
93.03354	13.2
95.01286	4.6
95.04932	6.6
96.95873	5.9
97.02849	8.5
99.00806	3.5
99.04415	5.6
101.02327	8.1
107.01285	8.6
107.04963	4.8
109.02863	14.0
111.00784	8.4
111.04408	10.4
113.02336	3.2
117.03360	4.2
119.04931	3.8
121.02887	14.6
123.00783	7.0
123.04426	21.1
125.02357	33.6
127.03841	2.8
131.04982	3.4
133.02866	7.7
135.04446	13.1
137.02382	25.1
139.03925	10.9
145.02838	3.6
147.04446	8.0
149.02399	19.6
149.99532	3.7
150.03117	7.7
151.00333	6.3
151.03931	16.9
152.04559	2.3
153.01886	19.8
153.05540	6.6
161.02406	6.3
162.03174	2.7
163.00327	6.7
163.03967	11.9
164.04625	2.8
165.01880	20.5
165.05476	4.9
166.02643	4.9
166.59784	2.4
167.03445	29.9
168.00549	4.5
173.06029	3.6
175.03955	10.6
177.01945	20.1
178.02617	4.0
178.99817	6.3
179.03476	29.8
180.04190	10.6
181.01344	5.7
181.05020	2.7
183.02966	6.6
185.06133	2.7
185.11630	3.7
187.04034	4.2
189.01892	8.2
190.02626	4.5
191.01912	5.4
191.03448	22.7
193.01379	15.0
193.04970	5.8
195.02972	19.0
195.06549	4.3
197.04498	5.9
201.05594	5.3
203.03448	5.8
205.01439	15.7
205.05115	4.8
206.02104	3.4
207.02983	32.5
208.03702	5.3
209.02806	4.7
209.04552	43.4
210.04941	5.3
217.01497	4.7
217.04919	4.2
218.02129	3.4
219.02963	32.8
220.03349	3.5
221.00867	8.4
221.04520	8.2
223.02509	12.7
225.03990	7.8
229.10823	19.0
231.02966	3.1
231.06773	3.0
233.04448	4.1
235.02478	30.0
237.04042	11.4
239.05528	18.2
241.05127	4.7
247.02513	10.1
249.04047	19.5
250.04323	2.9
251.01991	9.2
253.03371	3.6
255.06628	3.3
257.04617	3.3
261.04037	6.2
263.01773	5.6
265.03564	19.3
267.04980	5.6
269.06784	7.3
271.06171	3.1
273.06226	10.3
277.03583	6.2
279.05136	11.4
283.06290	6.3
285.08057	3.1
291.05124	3.4
293.02982	4.6
295.04782	9.0
297.07990	13.0
299.07843	7.7
301.07208	3.4
307.04718	3.8
309.06390	6.5
311.05621	10.6
313.06836	7.6
321.06265	3.1
323.05069	4.6
325.05905	8.3
337.05997	5.5
338.06396	2.8
339.04965	7.4
341.06738	17.7
353.06784	24.0
354.06497	3.9
355.07233	5.1
356.07428	4.1
357.06088	9.2
359.08054	2.8
365.06277	3.2
367.04120	3.3
369.06189	9.7
371.07675	9.3
373.05472	5.2
381.06317	5.0
383.07883	16.4
384.08023	3.5
385.05411	16.2
387.07214	6.3
393.10309	4.4
397.06320	3.6
399.07074	9.6
403.06705	5.7
413.08475	2.7
415.06781	13.0
417.08502	6.6
419.12186	15.1
429.08722	7.4
431.09558	2.9
435.09756	2.9
443.09772	8.0
445.08917	5.7
447.09940	5.7
457.10013	42.2
458.10083	5.0
459.09332	10.0
460.09946	3.5
461.10715	8.6
463.08749	15.0
473.10187	8.1
475.09100	24.4
476.10803	17.4
477.10495	6.8
488.09323	3.0
489.10318	7.2
493.10065	25.7
503.11743	3.4
505.10141	24.6
506.10687	7.8
507.11414	3.6
523.10791	7.6
539.14313	4.6
552.14630	5.6
563.14227	69.0
564.14398	9.8
578.12616	6.9
579.13708	32.2
580.13831	7.5
595.13208	21.7
596.13818	25.9
613.14142	100.0
614.14581	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	611.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66456	0.2
59.01249	0.2
69.31121	1.2
69.31545	0.9
78.95796	5.9
79.95630	3.2
81.38878	0.2
84.32741	0.2
94.98002	0.3
96.95912	100.0
96.96822	9.9
97.95837	0.3
98.02368	0.8
98.90575	0.2
118.96548	0.3
119.10983	0.2
129.95872	0.2
207.85799	0.2
217.79361	0.2
225.56654	0.2
253.09424	0.3
277.21780	2.6
278.22198	0.2
291.03906	0.3
333.04837	0.3
351.06165	0.9
375.19824	0.2
407.17819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
63.02523	0.4
68.58138	0.3
71.01263	0.4
74.56446	0.4
78.75854	0.4
78.95794	6.8
79.95621	3.3
90.97038	0.4
96.95913	100.0
96.96822	11.0
98.02399	0.6
118.96546	0.7
189.00682	0.5
220.19336	0.4
229.87726	0.6
229.99022	0.4
243.46544	0.4
253.09367	0.5
277.21777	4.2
291.04080	1.3
333.05203	0.8
335.34589	0.4
345.40906	0.4
351.06128	3.6
551.25433	0.8
605.21143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64597	0.1
59.01266	100.0
60.01606	1.0
71.01275	0.6
71.52290	0.1
71.63193	0.2
72.99230	0.2
73.02853	0.1
75.00771	0.2
83.01311	0.1
84.56659	0.1
85.02844	0.4
89.02350	0.4
92.56731	0.1
95.23818	0.1
95.29052	0.1
101.02376	0.2
113.02374	0.3
146.96846	0.1
149.02403	0.3
150.03178	0.5
151.04013	0.1
160.01633	0.3
161.04507	0.3
162.04855	0.1
165.05540	0.3
195.06648	0.2
221.06708	0.3
242.09644	0.2
257.11877	0.2
269.08337	0.2
269.14111	0.3
270.09015	0.7
281.08221	0.2
282.09106	0.2
283.05728	0.1
284.06989	0.2
285.11331	0.9
286.08545	0.3
296.07254	0.1
298.08530	0.4
299.09195	0.7
301.10950	0.4
310.08487	0.3
311.09280	0.4
313.10910	0.3
314.08118	0.9
324.10126	0.3
325.10843	0.3
326.08014	0.4
326.11691	0.3
329.10397	2.4
330.10858	0.3
340.13379	0.2
341.10367	3.0
341.14276	0.2
342.10825	0.4
344.12729	4.5
345.13226	0.4
356.12717	2.0
357.12991	0.2
359.15088	16.0
360.15375	1.6
371.15091	10.0
372.15427	1.3
389.16174	0.5
503.19022	0.1
563.21100	0.2
611.16150	0.2
611.25677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29108	1.1
57.03309	1.5
58.00477	3.1
59.01264	91.1
60.58975	1.2
71.01266	38.9
71.34060	1.7
72.99177	4.1
73.02827	1.8
83.01266	2.9
85.02861	10.0
87.00776	1.7
89.02332	29.7
91.87535	1.2
95.01248	3.1
99.04414	29.5
101.02348	19.1
111.04411	1.6
113.02354	12.8
119.03419	10.8
121.06507	1.9
161.04469	2.1
165.12799	3.8
179.05539	2.5
189.12828	8.0
207.13887	50.5
208.14178	3.6
209.11803	26.8
210.12177	2.0
225.14935	5.8
233.11896	1.5
251.12909	75.4
252.13164	2.3
269.13986	53.5
270.14310	4.6
308.47800	1.3
311.14990	2.1
389.18106	1.9
392.87680	1.4
431.19296	86.2
432.19461	8.4
449.20358	86.6
450.20926	9.7
491.21381	3.5
521.21558	1.4
551.23657	3.4
611.25665	100.0
612.16455	2.0
612.25916	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	611.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.8
57.03327	0.9
58.00471	2.4
59.01265	67.7
59.98407	0.9
69.73050	1.7
69.73453	3.6
71.01270	37.1
72.99190	3.0
73.02827	1.9
75.00758	1.6
83.01286	2.3
85.02850	8.1
87.00761	2.1
89.02339	26.1
93.23231	0.9
95.01274	3.1
99.04415	25.2
101.02346	15.3
101.10071	0.9
103.51667	0.7
111.04436	1.8
113.02355	11.1
114.02634	0.8
119.03394	7.0
149.02386	1.3
153.83008	0.7
158.59328	0.7
163.14891	1.1
164.04660	0.8
165.12787	0.8
179.05508	1.7
189.12846	8.2
191.01910	1.1
207.13887	45.2
208.14189	2.2
209.11832	5.1
223.06010	0.9
225.14783	1.1
233.11780	1.0
251.12914	61.9
252.13246	4.0
256.03400	1.1
269.13992	8.2
270.99771	0.7
271.02527	2.4
272.02869	1.7
273.03082	1.3
275.13156	0.8
300.02777	2.5
301.03055	2.6
302.03293	3.7
303.04321	0.8
387.20465	1.3
431.19290	74.9
432.14172	1.0
432.19672	8.4
434.32294	0.8
449.20407	10.9
450.20370	1.7
487.71866	0.8
551.22479	1.7
611.15570	8.7
611.25574	100.0
612.16785	1.5
612.26093	14.5
628.15643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.6
55.53861	1.2
57.03318	1.4
59.01265	26.6
61.98697	2.7
65.00210	2.2
70.20107	6.4
71.01273	9.5
72.35484	1.3
73.02834	3.8
74.30240	1.3
79.01775	3.0
81.03343	2.4
83.01270	6.4
85.02832	8.8
89.02321	2.5
93.03349	2.6
95.01279	3.7
97.02859	4.3
99.00800	1.7
101.02322	5.5
107.01290	13.0
109.02867	10.5
111.04427	2.2
113.02365	5.4
119.04900	2.0
121.02861	7.0
123.00742	1.5
123.04411	4.7
125.02371	13.3
133.02904	2.5
134.03673	2.0
135.04443	100.0
136.04776	3.8
137.02391	8.1
139.03960	6.9
147.04387	2.6
149.02380	8.0
151.00336	6.7
151.04013	3.0
153.01759	1.5
159.04459	2.7
161.02382	5.2
161.04523	6.2
163.00327	3.6
163.03934	5.0
165.01901	12.0
165.05472	1.4
167.03416	13.8
175.03931	2.3
177.01891	4.7
178.09917	1.3
179.03438	3.2
179.05634	1.5
191.01950	1.4
191.03452	5.5
192.00543	2.2
192.04164	1.4
193.01398	22.3
195.02994	1.6
197.04515	4.8
203.03401	2.5
205.01413	11.1
205.05161	1.7
207.03004	7.4
209.02809	1.7
209.04541	8.5
219.03012	4.5
221.04424	1.7
223.02458	7.3
235.02490	44.6
236.02850	2.1
239.05556	7.0
247.02518	3.9
249.04114	2.5
261.04120	1.5
265.03577	28.7
269.06656	1.4
277.03659	2.1
279.05215	1.9
291.05219	2.5
295.04550	6.6
329.06650	4.7
341.06848	1.9
359.07739	1.8
371.07803	81.6
372.08221	11.7
383.07816	1.7
389.21936	6.0
401.08835	68.4
402.09018	6.9
408.14545	1.7
413.08899	6.5
431.09882	22.4
432.10437	2.3
443.09943	3.6
455.09726	3.2
473.11087	10.1
474.11548	1.4
485.10825	1.7
491.12024	45.2
492.12561	6.6
503.11969	5.0
521.13287	9.4
551.27148	16.9
552.27856	1.9
593.15332	4.7
611.16205	43.4
611.25690	2.5
612.16443	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	609.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
55.85639	0.5
57.03340	2.6
59.01266	68.1
60.01582	1.1
61.98711	2.1
63.18518	0.5
71.01275	23.2
71.02115	1.2
71.02486	1.1
72.99203	0.8
73.02827	6.1
75.00729	0.6
83.01277	2.7
85.02842	12.3
87.00783	1.7
87.04419	0.8
89.02346	10.1
94.73615	0.6
95.01297	3.6
96.95928	0.6
97.02868	1.8
99.00775	2.5
101.02348	10.7
111.00775	1.6
113.02362	15.9
119.03409	2.1
121.02936	0.6
122.39295	0.6
123.08152	0.7
125.02359	2.1
129.01881	0.7
131.03436	2.0
135.04411	0.7
138.48555	0.6
143.03406	0.8
149.02357	1.3
149.04504	2.0
159.02933	0.8
161.04533	3.7
164.04764	1.6
165.05447	0.6
171.13858	1.8
179.03458	0.7
179.07062	0.8
187.13359	2.3
197.04372	0.6
198.31886	0.6
201.15001	1.7
205.05074	1.3
243.03033	0.7
271.02545	1.2
283.06161	1.0
297.11304	0.6
300.02655	2.3
301.03375	0.8
311.05560	1.2
323.05707	0.8
343.28772	1.0
359.28073	1.3
361.29572	7.0
387.14468	1.6
417.25000	5.2
457.09332	1.3
463.06601	3.1
489.12079	1.6
504.33170	0.7
505.33929	100.0
506.34219	12.8
523.34961	19.1
524.35077	2.8
549.29175	9.6
550.29633	1.0
565.36078	10.0
566.36517	1.2
568.54004	0.6
577.13660	2.0
578.13727	0.7
609.15491	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	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03324	1.4
58.00467	1.8
59.01265	53.4
60.19248	0.7
61.98717	8.9
69.03330	2.6
70.94663	1.3
70.94975	1.0
71.01270	41.1
72.01593	0.7
72.99179	2.8
73.02834	4.3
75.00766	3.1
81.03355	1.9
83.01264	2.3
85.02834	8.7
87.00761	2.9
88.98694	4.6
89.02334	38.1
95.01261	1.7
96.95900	2.5
97.02851	3.7
99.00780	2.4
101.02341	12.5
103.94764	0.7
105.47885	0.7
107.71453	0.8
109.02917	1.0
111.00815	1.0
113.02352	7.7
116.08319	0.7
119.03445	2.4
125.02368	15.3
126.02641	0.7
131.03427	11.8
143.03418	1.8
149.04486	16.5
155.10759	0.8
161.04541	1.5
175.66835	0.8
181.06584	2.2
183.57581	0.7
185.82726	0.7
191.05615	5.5
197.06049	8.4
209.06108	0.8
211.07578	2.2
215.16617	0.7
219.06363	0.7
224.04764	3.6
225.05559	2.7
227.07069	1.0
230.49393	0.8
233.06770	4.1
239.07129	19.6
240.07915	43.5
241.08235	2.6
255.10300	100.0
256.10660	7.1
271.02634	1.7
293.08826	39.6
294.09137	1.8
300.02737	4.4
301.03400	1.1
311.73227	0.9
313.23923	1.2
315.05423	0.7
359.27887	0.9
365.83133	0.8
376.54639	0.7
476.21851	1.0
488.33160	3.9
489.34018	3.6
506.34073	2.0
507.34726	1.3
609.14569	4.3
609.24036	1.1
609.34485	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	609.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	41.2
60.24023	2.2
60.56333	2.3
61.98727	18.8
65.00212	6.9
71.01266	20.6
72.99191	6.6
73.02831	3.9
73.95405	2.6
75.00738	3.2
83.01288	6.8
85.02841	14.1
87.00744	7.3
89.02339	8.1
93.03387	4.3
95.01306	3.4
97.02863	2.9
99.00776	3.7
101.02373	6.6
107.01286	7.6
108.02030	3.2
109.02808	4.6
111.00739	7.1
113.02328	10.4
113.63027	2.6
119.03291	2.7
121.02871	6.6
122.03632	5.4
125.02330	4.2
133.06444	3.3
134.03662	5.5
136.75082	2.9
137.02365	8.4
139.00299	14.0
149.02364	7.9
151.00308	33.9
153.01846	21.3
161.04515	3.6
163.00340	8.6
165.01822	3.6
165.05498	12.0
177.01874	4.7
178.99773	9.5
181.01372	8.4
192.00586	12.0
193.01346	11.8
199.82823	2.9
205.01385	3.0
206.99307	10.5
215.03497	3.8
229.84277	3.1
243.02846	3.8
255.02995	8.3
256.03488	3.4
257.04449	6.3
267.07181	3.1
269.04559	3.4
271.02536	5.0
272.03137	3.0
283.02478	7.3
285.03894	3.3
293.04550	10.9
297.30719	2.8
300.02817	43.2
301.03574	44.6
311.64554	3.0
341.06607	2.8
343.15640	4.5
343.68979	3.1
346.14243	4.0
349.70419	2.7
361.16550	27.5
362.17062	2.9
383.07529	8.2
421.98795	3.8
434.13156	4.0
447.11777	3.8
459.11267	3.8
487.11005	4.2
489.12674	15.6
490.12302	3.3
501.12555	10.1
505.20950	58.6
506.21155	6.2
523.22052	15.3
524.22260	4.9
547.14581	32.3
565.23047	9.9
573.22339	7.3
609.14630	100.0
609.23950	5.2
610.15009	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	609.1479
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
52.95741	0.7
57.03325	0.8
59.01273	1.6
69.43569	6.6
71.01270	2.8
85.02847	7.3
93.03333	0.8
96.95895	1.4
101.02374	0.8
109.02870	3.1
118.96523	0.7
129.01866	0.8
133.02882	11.2
135.04472	1.4
146.56624	0.7
149.02362	1.5
149.05997	1.0
150.03262	0.8
151.03952	0.9
175.03970	4.5
177.01878	3.2
177.05466	1.6
179.03491	1.6
189.05531	1.2
191.01961	2.7
201.01981	0.9
203.03447	2.6
205.01425	1.7
205.05049	1.0
209.03011	4.3
213.05611	1.3
215.03513	0.8
227.03629	0.7
233.04471	0.7
237.05510	0.7
255.06816	1.1
267.06821	1.0
283.06000	1.5
284.06989	0.9
295.05936	1.2
297.04224	3.3
298.04880	11.0
299.05725	6.0
309.04150	1.5
310.04889	1.1
311.05737	10.3
312.06360	10.5
313.07251	11.5
314.07632	0.9
323.05652	2.4
325.07175	2.0
327.05133	8.5
339.05136	16.9
340.05350	1.3
341.06772	8.6
351.05167	2.1
353.06848	2.7
357.06168	2.3
367.04721	1.5
369.06216	59.5
370.06573	5.7
371.07813	1.3
381.06351	5.6
383.07840	1.9
399.07294	37.7
400.07654	4.2
411.07376	5.5
413.08835	1.1
417.11984	3.1
418.12003	0.9
429.08368	7.9
430.08984	0.9
441.08521	3.0
460.03271	1.0
471.09534	1.7
489.10513	33.8
490.10922	4.2
501.11111	1.3
519.11469	9.6
520.11853	1.4
591.13586	1.9
609.14758	100.0
610.15167	13.7
627.78149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50811	0.3
63.42730	0.3
65.00206	0.9
71.35969	0.4
71.36307	0.7
80.86227	0.3
83.01250	0.4
85.51391	0.3
93.12566	0.3
95.01351	0.4
98.20383	0.4
107.01302	1.8
108.02081	1.3
109.02864	0.7
121.02846	1.2
130.41945	0.3
135.00809	0.8
148.01596	1.1
149.02380	0.3
151.00320	8.0
153.01869	0.4
163.00282	1.0
165.67690	0.4
173.69545	0.3
178.99857	4.1
183.04524	0.4
193.01486	0.3
199.03885	0.6
201.05457	0.3
203.03500	0.3
214.02664	0.4
215.03494	0.7
217.01164	0.4
226.02612	1.1
227.03528	2.0
243.03032	7.4
244.03583	0.8
245.04553	0.6
254.02290	1.8
255.03035	19.0
256.03400	1.4
271.02548	43.2
272.03018	4.3
273.04092	0.7
283.02438	0.9
297.04083	0.4
299.01984	1.0
300.02811	84.2
301.03503	26.4
302.04028	1.6
325.03134	0.4
343.04895	0.7
489.11096	0.5
609.14734	100.0
610.15051	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.9
65.00206	2.1
71.01263	1.3
71.60636	0.9
72.99207	0.7
83.01270	0.8
85.02836	1.6
87.00764	1.2
93.03349	1.1
95.01311	0.8
97.02895	0.7
98.01488	0.4
99.00783	1.0
101.02374	0.9
107.01291	1.6
108.02097	1.0
109.02885	0.9
110.00008	2.1
111.00773	1.8
121.02872	1.8
122.03709	1.5
123.00782	1.5
124.01573	0.8
125.02348	1.6
135.00764	0.9
135.04485	0.9
136.98738	1.4
137.02365	0.9
137.99521	1.2
139.00333	2.8
147.04486	1.2
148.01579	1.0
149.02386	1.8
150.03111	0.6
151.00293	7.1
152.01033	2.0
153.01959	0.6
159.04463	0.7
163.00333	1.7
165.01857	1.0
165.05499	2.6
165.99083	2.7
166.99815	1.4
171.04485	1.5
175.03951	1.6
178.99782	2.5
179.07036	0.9
180.00259	0.6
183.04475	1.8
185.06110	0.6
187.03999	1.0
188.33173	0.5
191.01964	1.1
192.00677	0.6
193.01451	0.7
198.03194	1.6
199.03954	1.4
200.04785	0.7
201.05550	0.9
209.00841	0.6
211.03984	1.6
215.03502	1.8
216.04205	0.8
226.02754	1.6
227.03535	5.6
228.04282	0.6
229.05081	1.4
231.03268	0.4
239.03578	1.1
243.03029	8.5
244.03645	2.2
245.04512	1.1
254.02199	2.8
255.03014	23.2
256.03589	2.5
257.04605	3.7
271.02536	26.1
272.03226	7.5
273.03928	1.4
275.31702	0.5
282.01782	1.2
283.02533	9.4
284.03122	2.0
285.04086	1.7
299.02039	2.8
300.02802	54.7
301.03546	26.4
302.03918	1.4
327.08722	0.5
343.04523	1.2
346.14359	1.0
360.64056	0.5
361.16623	12.0
362.16977	1.0
413.14346	1.0
465.97070	0.5
489.12604	0.8
518.46124	0.6
526.63776	0.5
591.13635	1.4
609.14728	100.0
610.15082	14.1
610.22827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.9
63.02277	1.8
65.00208	8.0
66.18482	0.9
69.58532	6.5
71.01263	2.4
72.99208	1.4
73.02843	1.1
83.01278	5.6
85.02840	1.4
93.03352	4.5
95.01258	2.5
99.00787	2.1
107.01315	13.1
108.02063	1.9
109.02855	2.0
111.00804	7.3
113.02377	1.6
117.03406	1.9
117.13700	0.9
120.51593	0.9
121.02860	3.5
124.01533	1.4
125.02357	5.5
135.00792	2.7
136.01561	1.0
136.98749	1.1
137.02377	4.7
139.00317	12.8
141.01897	1.7
149.02432	6.2
150.03107	1.8
151.00310	36.8
151.21513	1.0
152.01030	3.1
153.01868	21.1
155.94083	1.0
159.04477	1.3
161.02461	1.6
163.00334	8.2
164.01167	1.1
165.01880	2.3
165.05424	1.5
169.01408	3.3
171.04492	1.1
175.00366	1.8
177.01851	4.3
178.99814	10.6
180.00180	1.3
181.01369	7.5
183.02956	1.1
183.04507	1.3
187.04019	1.6
189.01984	0.9
191.03516	1.2
191.10909	0.9
192.00612	11.5
193.01413	9.6
199.03979	1.5
201.02010	1.6
203.03438	1.4
205.01282	1.2
206.99336	13.3
208.00014	2.3
211.03922	1.1
215.03467	3.8
216.04175	1.2
227.03464	4.2
228.04193	1.1
229.05148	1.9
231.02974	3.5
233.04543	1.5
235.02429	1.1
239.03409	1.5
243.02994	3.6
255.03033	12.0
256.03668	4.0
257.04611	8.9
258.04742	1.0
259.02408	1.5
268.03821	1.4
269.04480	2.1
271.02530	6.1
272.03165	6.6
273.04095	2.0
283.02585	8.9
284.03052	1.5
285.04083	3.5
299.01981	2.6
300.02786	58.7
301.03580	46.0
302.03943	2.2
340.27255	1.1
343.04868	1.5
361.16476	1.1
447.11313	3.6
459.11572	7.8
461.13293	1.3
463.09149	2.2
477.17599	2.1
487.11371	5.3
487.17630	0.9
489.12616	11.7
490.13202	2.0
501.12579	6.8
505.20599	1.0
516.11230	2.8
581.15802	1.3
591.13416	2.1
592.14038	1.3
609.14722	100.0
610.15045	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	607.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01086	0.6
55.01782	1.7
57.03334	3.8
58.00492	2.0
59.01266	100.0
67.71452	0.6
69.03347	1.4
69.75371	0.6
69.75705	4.5
71.01274	34.3
71.04904	1.0
71.61694	0.7
73.02839	16.7
74.43990	0.7
75.00738	0.7
83.01290	6.4
85.02845	15.1
87.00775	4.0
87.04420	2.4
89.02342	12.2
95.01288	3.6
97.02855	1.7
99.00766	3.8
101.02348	21.7
111.00801	1.1
113.02364	27.9
119.03450	3.9
121.10129	1.3
125.02394	1.8
125.09688	1.0
127.11230	2.3
131.03397	1.7
137.09608	1.0
143.03432	4.5
155.10760	2.4
157.12286	1.1
159.02997	1.2
161.04495	12.6
169.12358	1.1
171.13853	4.1
179.05588	2.3
183.13844	0.9
185.11807	1.2
187.13419	1.6
199.13354	1.2
200.14108	0.7
201.14952	8.5
209.33003	0.7
222.87328	0.7
229.18118	1.2
341.27042	7.5
342.27502	0.9
357.26440	1.9
359.28146	11.5
373.22556	0.9
383.28116	1.3
485.31177	1.3
503.32404	96.5
504.32663	15.7
521.33392	22.0
522.33765	3.1
563.34595	6.8
564.35211	1.0
607.16876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
57.03330	2.5
58.00474	1.4
59.01267	73.5
60.01608	0.8
69.64687	1.7
69.65108	3.0
71.01271	30.5
72.99192	1.1
73.02842	7.3
82.89258	0.5
83.01276	4.6
85.02851	15.1
87.00761	1.7
87.04449	0.6
89.02344	9.5
95.01278	4.4
97.02838	1.3
98.19720	0.6
99.00791	3.9
101.02351	14.3
111.00774	1.2
113.02363	19.4
113.03178	0.9
119.03439	2.2
121.10197	3.4
124.01598	0.8
125.02354	1.7
127.11214	0.7
143.03409	1.7
145.65688	0.6
155.10593	0.8
157.12271	0.7
159.02914	1.3
161.04480	4.3
169.12248	1.0
171.13756	1.4
183.13882	0.9
187.13501	0.7
191.03908	0.6
201.14961	9.3
243.16118	0.8
255.03030	0.8
283.02585	0.7
284.03366	1.5
299.05832	3.2
301.00781	0.6
311.77823	0.7
315.17990	0.7
341.27118	1.3
344.09158	0.6
345.19357	2.6
359.28149	2.7
363.20386	1.7
485.31531	1.4
503.32407	100.0
504.32745	15.5
521.33453	17.8
522.33936	2.4
563.34515	5.9
607.16949	0.8
624.91162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.6
57.03334	4.4
58.00479	1.2
59.01266	100.0
59.99223	0.4
60.01600	1.2
61.98740	0.5
69.03336	0.7
69.57053	1.0
69.57465	2.8
71.01270	26.0
72.99192	1.4
73.02836	7.1
75.00761	1.2
81.03347	0.6
83.01276	3.7
85.02843	12.9
85.06503	0.8
87.00777	2.8
87.04417	0.6
89.02336	10.4
90.02653	0.5
93.06995	1.8
95.01295	3.7
96.95857	0.9
97.02856	1.4
97.06506	0.6
98.20509	1.0
99.00789	4.1
99.08037	0.6
100.61063	0.4
101.02347	15.8
101.03016	0.9
110.79880	0.5
111.00796	0.9
111.08080	0.8
112.01626	0.5
113.02357	19.8
113.09679	0.6
114.02718	0.9
119.03398	3.7
122.39510	0.7
123.08071	0.6
125.02404	1.1
129.01840	0.6
131.03445	0.8
141.09192	0.5
143.03450	2.4
143.10710	2.6
149.04506	1.6
151.00356	0.4
153.09102	0.6
159.02927	1.1
161.04498	10.4
168.13379	0.5
179.05589	1.3
180.04005	0.4
183.13994	0.5
195.13922	1.1
209.11838	0.7
225.05577	0.7
229.18094	9.4
230.18489	0.6
241.08702	1.1
295.31238	0.5
313.07217	1.5
341.27017	2.6
359.28128	7.9
360.28162	1.3
373.22412	1.4
383.28128	1.3
391.23428	3.1
392.23596	0.8
401.29126	1.0
413.13937	0.5
425.29312	1.0
467.29910	0.5
485.31366	0.8
491.18637	0.5
503.32373	63.2
504.32700	9.8
521.33392	17.6
522.33649	2.4
533.20282	0.6
545.19952	0.6
547.27679	0.6
563.34534	4.2
607.25714	2.5
608.25299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
55.33704	1.4
57.03336	2.8
57.96659	1.4
59.01265	63.3
69.05363	1.3
69.52940	1.3
69.98342	6.4
71.01270	26.5
72.99211	1.5
73.02838	8.9
75.00767	1.6
78.90651	1.2
79.29745	1.2
83.01272	5.1
83.08347	1.3
85.02844	11.8
87.00779	4.0
87.55596	1.2
89.02344	5.7
95.01289	1.9
96.95898	2.1
99.00821	4.0
101.02334	17.1
103.87699	1.5
113.02374	9.0
113.48811	1.6
119.03424	2.3
121.02861	4.2
125.02396	1.8
147.04443	6.0
149.04527	2.7
149.06006	2.0
149.37502	1.4
152.04697	1.6
152.05923	1.4
159.04443	2.6
161.04567	2.3
165.04112	1.5
179.07097	6.0
212.10843	1.7
240.04311	1.7
255.06699	2.3
265.08710	2.1
267.06717	2.7
268.07471	3.2
269.08224	4.5
270.08948	2.8
281.08215	10.6
282.09018	2.9
283.10013	8.0
284.10287	1.7
293.08447	1.7
294.08957	2.4
295.09735	1.5
296.10471	2.6
297.11362	2.3
298.04953	2.7
299.05685	1.9
299.09195	3.3
302.08044	1.8
311.09341	7.3
311.12582	1.7
313.07254	2.2
314.08401	2.2
314.11740	10.6
315.12366	5.1
325.11023	1.7
326.11667	10.8
327.12427	8.4
329.14041	15.2
340.09451	1.9
341.10217	2.0
341.14035	11.9
342.14621	1.6
343.11856	2.5
355.11871	4.6
356.12531	1.7
371.15240	2.4
391.23560	1.6
443.13196	1.5
455.13635	2.0
458.15994	10.0
470.15958	2.9
473.18460	28.3
474.18481	4.4
476.17032	13.3
485.18292	34.9
486.18726	4.5
488.17035	5.7
491.19345	35.0
492.19714	5.5
503.19470	37.3
503.32159	18.7
504.19455	5.6
518.18481	1.5
521.33606	5.6
533.20422	100.0
534.20801	17.8
545.20422	55.6
546.20789	11.6
607.16467	4.2
607.25549	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65517	0.5
55.01788	1.3
57.03336	4.3
58.00484	1.0
59.01267	88.5
60.01615	1.1
62.49884	0.5
66.67972	0.4
68.99719	0.6
69.03355	1.3
70.21181	0.5
70.99073	0.6
70.99418	1.2
71.01272	30.4
72.99207	1.8
73.02839	7.7
73.06176	0.5
75.00777	0.8
78.33202	0.4
81.03341	0.6
83.01289	5.1
83.31165	0.6
85.02847	16.4
86.00004	0.6
86.03205	0.6
87.00790	2.7
87.04397	1.1
89.02335	8.0
93.07014	1.5
95.01289	4.0
96.95925	1.7
97.02854	1.1
99.00768	3.8
100.73723	0.5
101.02348	14.8
102.02779	0.5
111.00798	0.7
113.02363	18.7
114.02715	0.6
119.03426	3.5
123.08027	0.5
124.01624	0.7
125.02398	1.7
128.36197	0.5
137.09715	0.6
139.66652	0.6
143.03432	1.6
148.81299	0.5
149.04547	1.3
155.10747	0.6
157.12305	1.0
159.02948	1.3
161.04512	8.6
169.12431	0.8
179.05635	1.0
183.13924	0.7
185.15494	1.5
187.13377	1.1
211.16885	0.7
229.18129	6.5
253.05177	1.1
315.18112	0.6
333.19388	0.8
341.27051	2.0
347.20728	0.6
359.28229	3.4
373.22379	4.6
385.22400	1.3
391.23325	3.5
425.54102	0.5
433.28223	0.7
485.31204	0.9
503.32388	100.0
504.32779	14.2
521.33441	20.3
522.33636	3.3
563.34454	8.4
563.42773	0.8
564.34961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1687
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.08973	0.3
59.01265	2.2
62.17911	0.3
63.02283	0.3
68.67242	0.3
69.61742	0.7
69.62162	1.5
69.64379	0.2
70.77804	0.3
73.02824	0.5
80.36486	0.3
83.01300	0.4
85.02840	0.4
89.02351	0.7
96.95891	0.3
98.20531	0.6
101.02345	0.7
107.01331	0.4
113.02332	0.4
134.03682	0.4
149.02379	0.3
149.04515	0.4
151.00293	1.0
159.34221	0.3
167.05156	0.3
171.87103	0.3
183.04463	0.4
207.74692	0.3
211.04010	0.9
227.03668	0.5
239.03662	0.3
255.03026	35.6
256.03607	3.8
267.03110	0.4
268.03790	1.0
269.04568	4.1
271.80725	0.3
281.04590	0.5
283.02551	17.1
284.03317	71.1
285.03870	9.2
297.00696	0.4
297.04111	10.8
298.04871	11.1
299.05667	100.0
300.05988	8.4
331.97110	0.3
339.05145	0.3
341.06570	0.7
357.22556	0.4
369.06061	0.5
403.13989	1.0
443.09677	1.0
447.09192	0.8
487.12238	0.4
592.14532	0.4
607.16821	87.8
608.17120	11.4
636.80078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.6
57.03327	1.3
58.00473	0.6
58.42072	0.3
59.01263	100.0
60.01595	1.2
61.98706	2.9
69.03347	0.3
69.13036	0.3
69.43821	0.3
71.01267	9.6
71.04942	0.4
71.61184	0.4
72.99216	1.1
73.02832	2.9
75.00771	1.0
78.84535	0.3
83.01277	1.9
83.02409	0.3
83.04900	0.3
85.02838	3.9
85.99988	0.4
87.00784	0.4
89.02348	2.2
95.01298	0.8
96.95906	2.9
97.06493	0.6
98.61629	0.4
98.95509	0.5
99.00777	2.0
101.02341	6.4
113.02351	4.8
119.03433	0.6
125.02359	0.8
131.03452	0.3
143.03471	1.1
149.04509	0.3
155.14326	0.4
159.02936	0.4
161.04515	4.8
179.05618	0.4
197.15511	0.7
213.18660	1.0
217.99802	0.4
253.09306	1.5
291.19684	1.0
305.25119	0.8
309.20773	2.4
311.25970	0.5
323.26083	0.4
325.27548	0.7
341.27066	3.9
357.26526	0.9
365.26947	0.4
400.98373	0.3
422.46588	0.4
437.29251	0.4
441.28619	0.4
467.30508	0.4
485.31290	19.4
486.31808	2.8
503.32385	4.1
504.32556	0.4
519.32581	0.5
543.31732	0.5
545.33270	0.7
561.32892	27.4
562.33295	5.3
605.31976	1.9
606.32208	0.5
634.35675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.6
55.04379	0.5
57.03337	4.8
58.00490	1.6
59.01267	100.0
60.01601	1.3
61.98718	3.7
69.03349	1.0
71.01273	32.8
71.04930	1.0
71.20071	0.6
71.20416	1.2
72.01622	0.8
72.99196	2.2
73.02837	11.1
75.00780	2.3
82.95347	0.6
83.01286	5.4
83.02395	0.5
83.04897	0.5
85.02840	12.6
87.00768	3.3
87.04417	1.6
89.02344	12.7
95.01293	3.8
96.95918	3.3
97.02882	1.5
99.00783	4.2
99.04443	1.0
99.08054	0.7
101.02349	18.7
102.02724	0.8
104.01627	0.6
111.00816	1.2
111.08070	0.6
113.02361	22.2
113.09668	1.2
114.02686	0.7
119.03412	5.4
119.04957	0.6
123.08096	1.2
124.01577	0.9
125.02381	2.8
129.01913	0.9
129.09196	0.6
131.03464	0.9
132.04524	1.2
137.02312	0.6
137.09702	1.0
139.11232	0.7
141.09145	0.7
143.03464	3.1
149.04488	1.1
149.05986	0.6
151.11273	1.2
157.12273	2.9
159.02997	1.1
160.04063	0.6
161.04492	7.9
165.04102	2.2
165.12924	0.6
169.12355	0.9
171.13914	0.7
173.11804	1.1
179.05664	2.2
181.01675	0.6
181.12306	1.4
183.13904	1.1
186.12665	1.4
187.13406	0.9
199.13382	1.7
201.15041	1.3
228.13718	1.5
235.58775	0.6
257.12988	1.5
267.19873	0.9
297.12759	0.6
321.24570	1.6
339.25528	5.8
340.25912	0.8
341.27090	0.6
347.12454	0.7
355.25104	0.8
357.26587	10.8
358.27036	0.9
381.26785	1.7
383.11807	1.2
478.88000	0.6
483.29956	2.8
501.30829	70.8
502.31235	11.4
519.31921	18.5
520.32214	4.3
543.32336	1.8
545.29523	0.7
561.33002	7.4
562.33472	1.0
605.26093	2.3
605.32495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43666	1.4
55.01777	1.9
57.03329	2.9
59.01263	94.8
60.01597	1.8
61.98742	2.1
69.57597	9.6
71.01267	31.1
72.99207	1.9
73.02839	8.4
83.01288	3.4
83.59919	1.5
85.02837	13.9
87.00755	1.8
89.02339	14.5
95.01295	4.7
96.73327	1.2
96.95934	2.9
97.02919	1.5
99.00798	3.7
101.02345	17.2
102.23254	1.4
113.02343	18.8
119.03417	5.3
131.03348	1.5
135.24249	1.4
139.11232	1.9
143.03394	2.5
157.12248	1.7
159.02916	1.5
161.04468	3.7
199.13402	1.4
339.25153	1.8
343.17938	1.5
357.26376	3.5
417.25058	1.8
445.90536	1.8
483.29434	3.1
501.30792	100.0
502.31128	14.0
519.31763	27.3
520.32336	3.5
561.33063	3.8
563.30872	2.1
605.32532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03354	3.9
58.00476	2.0
59.01266	100.0
60.01598	0.9
61.98728	4.4
65.38495	0.7
69.03324	1.3
71.01271	34.8
71.04911	1.3
71.60546	0.9
71.60970	0.9
72.99201	1.9
73.02833	9.2
83.01273	5.0
83.04984	0.7
85.02840	13.4
87.00778	4.8
88.70272	0.8
89.02341	16.8
95.01294	3.2
96.95923	6.3
97.02864	1.7
97.06523	1.1
99.00790	4.2
99.04453	0.7
101.02341	20.7
102.02786	0.9
102.51152	0.8
111.00762	1.7
113.02358	19.2
113.09635	1.0
119.03429	5.9
121.10154	1.1
123.08085	0.9
125.02390	2.3
131.03429	1.3
137.09747	1.0
139.11224	0.9
143.03461	3.7
149.04434	1.0
151.11281	1.3
155.10744	0.9
157.12347	2.1
159.03107	1.0
161.04517	6.0
170.74229	0.8
171.13847	1.6
173.11827	1.0
179.05557	2.6
186.12531	1.6
187.13324	1.3
199.13268	0.8
200.14171	1.1
201.14932	2.3
207.25037	0.8
229.18071	1.9
256.79037	0.8
309.19540	0.9
321.24460	1.2
339.25455	6.1
357.26666	9.5
358.26907	1.3
381.26489	3.0
383.92090	0.9
393.92892	0.8
453.28607	1.0
483.29932	1.5
501.30832	84.0
502.31146	11.3
515.39899	0.9
519.31842	31.5
520.32379	4.3
543.31689	1.5
545.29474	3.7
561.32672	7.8
562.33630	1.3
563.30627	3.5
605.31580	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	605.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52241	0.4
57.03331	1.5
58.00504	0.6
59.01264	100.0
60.01603	1.2
61.98708	2.1
70.66097	1.4
71.01267	9.2
71.04902	0.5
72.01630	0.6
72.99214	1.0
73.02829	2.6
75.00767	0.7
78.34927	0.4
83.01299	1.4
85.02833	5.0
85.44002	0.4
87.00800	0.9
89.02335	3.5
95.01305	0.9
96.95914	4.3
97.02839	0.8
98.95517	1.4
99.00774	2.1
101.02345	6.8
113.02369	5.2
116.97168	0.5
119.03461	0.5
125.02395	1.1
136.56917	0.4
143.03374	0.7
159.02994	0.6
161.04504	6.0
178.00482	0.4
195.13959	1.1
197.15378	0.5
213.18582	1.0
221.15536	0.6
225.18425	0.6
253.09290	4.9
291.19690	2.9
305.24985	0.5
305.61197	0.5
309.20773	9.5
309.24310	0.6
310.21207	1.1
311.25986	0.7
323.26047	0.7
341.26974	3.7
357.26736	1.2
437.29401	0.7
441.28647	0.5
485.31302	23.4
486.31769	2.2
503.32315	4.9
503.38409	0.5
545.34570	0.9
561.32898	14.6
562.33246	2.6
605.32208	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	603.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03029	0.2
57.03330	0.5
59.01266	7.4
61.98716	1.9
66.51933	0.2
71.01271	2.3
71.62613	0.3
71.67563	0.2
72.99178	0.6
73.02835	0.8
74.78788	0.2
75.00776	0.5
77.68773	0.2
78.95795	1.7
79.95627	2.1
81.36383	0.2
82.95319	0.4
83.01276	0.4
83.02393	0.3
85.02840	1.5
87.00764	0.5
89.02332	1.0
95.01298	0.2
96.95912	100.0
96.96793	3.5
97.06513	0.2
97.95866	0.3
98.02364	0.7
98.54171	0.2
98.95489	0.2
99.00765	0.4
101.02335	1.3
101.05987	0.4
111.71843	0.2
113.02370	1.2
119.03471	0.3
123.00760	0.2
125.02337	0.5
131.03397	0.3
134.03645	0.2
149.00693	0.2
149.04469	0.2
160.01648	0.2
161.04483	0.4
193.05064	0.4
231.03629	0.2
275.77786	0.2
381.23264	0.4
397.22339	0.3
441.19485	0.4
499.29630	0.4
543.28381	2.2
544.28888	0.4
559.31250	2.7
560.31677	0.6
603.31891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2419
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.41774	0.5
50.83091	0.6
51.38604	0.6
54.11238	0.6
59.01262	0.8
61.90013	0.7
61.98700	1.0
145.89847	0.6
230.10020	0.6
252.06480	0.6
264.35364	0.6
353.01285	0.6
388.63681	0.7
415.15833	0.8
416.16156	0.8
429.17465	0.7
430.17908	0.8
444.19815	0.9
444.68353	0.6
457.20593	1.7
459.18420	2.5
471.18372	1.8
473.19992	4.5
474.20441	1.0
485.19638	2.3
486.20767	3.6
487.21243	1.0
496.19312	0.8
499.18063	2.0
501.23569	3.5
511.21362	2.4
513.19415	2.5
514.20166	8.5
515.20587	1.7
518.19586	2.0
528.21332	1.0
529.22577	100.0
530.22852	17.3
532.20740	1.3
533.21808	1.9
561.25452	1.1
573.21851	0.8
605.24835	1.4
606.24518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
60.98899	0.9
60.99192	13.6
69.26131	0.7
69.26524	5.5
75.01829	0.5
87.00773	2.7
88.00301	8.1
88.01111	0.7
88.98696	100.0
89.02334	40.6
89.99030	1.1
90.02679	0.9
96.95914	0.9
148.90878	0.9
151.48555	0.6
185.11206	0.7
204.44135	0.5
236.05522	0.5
284.87762	0.6
392.97400	0.6
470.97958	0.5
523.48163	0.7
574.56885	0.7
603.19910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	4.1
60.99191	14.6
69.88374	0.5
71.01267	0.8
71.56416	0.8
71.56785	0.6
87.00781	8.0
88.00302	12.2
88.00845	0.7
88.01112	1.5
88.98698	97.8
89.02335	100.0
89.99023	1.0
90.02679	1.6
99.17842	0.5
108.13419	0.7
156.84247	0.6
179.73148	0.5
187.06117	0.6
206.62381	0.5
277.21780	10.9
278.22180	1.3
283.10349	0.7
360.65866	0.5
495.01590	0.6
507.63065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
57.03324	1.5
58.00480	2.8
59.01264	55.1
59.32403	0.3
60.01613	0.7
61.65920	0.3
61.98707	0.6
63.34343	0.3
69.03329	0.7
70.31368	0.9
71.01270	57.1
72.01600	0.5
72.99198	3.9
73.02839	2.9
75.00768	0.7
81.03330	0.4
83.01276	5.6
84.02082	0.4
85.02844	9.0
87.00771	15.1
88.01119	0.4
89.02338	53.2
90.02678	0.6
95.01292	3.5
96.95861	0.4
97.02847	0.8
97.06503	0.3
99.00774	1.3
101.02346	27.5
102.02663	0.5
111.00809	0.5
113.02357	27.6
114.02677	0.6
115.03895	0.7
117.01855	0.6
119.03417	20.3
119.49967	0.3
120.03698	0.4
125.02368	1.5
129.01881	1.2
131.03432	3.0
139.07634	0.4
141.01843	1.3
143.03427	8.0
144.03819	0.4
149.04495	1.6
159.02945	0.6
161.04500	9.5
162.04849	0.4
179.05577	21.1
180.05949	0.4
233.22888	0.3
259.20761	0.5
273.22318	0.9
275.20016	0.4
277.21783	100.0
278.22144	8.1
281.09042	0.3
291.23358	6.8
292.23700	0.9
301.21817	1.2
319.22833	3.3
323.09894	17.2
324.10168	1.1
341.10959	47.8
342.11273	2.9
349.24005	0.5
415.80435	0.3
601.32513	2.5
602.31927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76591	2.5
59.01264	69.1
61.98713	39.0
71.01257	17.4
71.59941	2.9
73.02819	3.1
83.01301	4.5
83.04899	6.4
85.02846	7.1
88.98723	13.3
89.02338	8.9
96.95922	10.5
97.06504	9.1
99.04397	3.0
101.02344	20.8
106.72969	2.5
113.02364	8.3
115.27572	3.0
119.03378	3.7
125.02291	3.5
125.09615	8.3
137.09627	5.9
161.04443	3.9
163.11282	6.0
181.12396	2.7
185.11777	7.4
191.14398	8.8
207.10258	3.1
209.11804	57.3
225.11284	4.4
227.12848	7.2
237.11302	6.8
245.19205	20.6
253.09337	46.1
257.45493	3.0
263.20117	4.1
271.17191	3.7
289.18161	98.6
290.18567	6.9
307.15704	6.3
307.19217	100.0
308.19580	8.9
345.45758	2.9
423.25745	8.3
525.91199	3.0
565.86407	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	601.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43454	1.9
59.01272	10.4
61.98719	19.1
71.01254	3.2
71.60823	3.2
72.30901	1.8
96.95914	7.6
109.02859	9.9
111.04391	2.5
121.02823	2.0
123.00846	3.8
124.01595	2.2
125.02384	11.7
137.02376	22.4
139.03932	10.6
147.14745	2.2
149.02409	7.3
157.02863	2.4
159.04514	2.5
164.08363	2.0
166.02629	3.0
167.03468	10.9
174.03221	2.8
177.01874	3.0
179.03505	4.5
185.05936	3.0
187.04016	3.8
188.04826	4.0
190.02739	2.2
199.07669	3.7
201.01904	11.0
201.05638	2.5
202.02652	5.3
209.05997	2.8
211.07611	2.8
213.01994	3.0
213.05534	6.0
214.02739	24.1
215.03366	3.2
216.04317	4.7
226.02737	2.3
227.03503	7.1
227.07207	5.0
229.01393	7.1
229.04944	3.5
229.08681	15.0
230.02264	16.3
231.06609	13.3
236.47452	2.2
238.06432	4.6
239.07188	11.8
241.01469	2.7
241.05072	3.2
242.02261	19.5
242.05910	2.4
243.03032	10.8
244.03600	3.5
246.01678	13.4
254.01688	2.2
255.06650	9.3
256.07425	3.9
257.08289	20.2
259.73804	2.3
267.06696	6.3
269.08197	3.1
270.01715	15.1
270.04608	3.0
271.02682	18.3
271.06058	19.9
272.03088	3.7
273.07837	4.4
279.06668	4.2
281.08099	5.1
283.06168	29.4
284.06598	5.0
285.07663	6.0
295.06143	3.5
297.07703	8.5
311.05713	26.6
311.09229	3.7
313.07254	7.6
439.17722	46.1
440.17996	6.9
482.10236	6.8
484.11716	3.6
492.08487	2.5
510.09543	6.6
525.15503	4.9
528.10791	48.4
529.10712	6.7
551.13586	12.6
552.14197	3.5
569.14624	100.0
570.14966	21.4
578.68536	2.4
583.15515	3.1
601.16589	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	599.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	5.7
58.00480	0.6
59.01266	16.3
61.98716	4.6
65.18054	0.5
67.01791	0.5
68.99718	0.6
69.03349	6.1
69.04157	0.4
69.38680	3.4
69.39085	1.1
71.01267	13.8
71.04893	1.1
72.99201	6.6
73.02833	1.7
73.96556	0.5
75.00762	12.9
79.95650	0.7
83.01295	1.4
85.02840	14.2
86.03151	0.4
87.00767	5.0
88.98685	2.3
89.02339	3.6
91.00269	0.8
95.01274	4.1
96.95914	19.2
97.02878	0.4
99.00779	8.7
101.02353	1.6
103.00269	1.3
109.02840	0.7
111.00814	0.6
111.08044	1.4
113.02353	16.5
113.05975	1.7
115.00272	2.0
117.01831	2.3
119.03375	0.6
123.08042	0.7
125.02350	0.6
129.01886	1.2
135.04456	1.0
137.02332	0.5
139.11223	11.7
149.04514	0.5
157.01346	0.5
161.04489	0.6
163.03996	0.6
165.05452	0.7
165.09262	0.5
175.02470	2.7
175.35274	0.4
183.10225	14.5
191.05711	0.6
193.03577	1.2
209.11803	1.2
231.04950	0.5
249.06207	6.3
253.05028	0.7
255.06767	0.6
267.07260	2.0
268.08414	0.5
318.40216	0.6
341.10385	0.6
344.12393	0.5
359.11209	0.5
359.14987	3.1
367.12381	0.8
371.14932	1.1
372.14963	0.5
415.16254	1.5
433.17258	12.1
434.17599	1.3
450.73108	0.5
581.26355	0.9
599.27240	100.0
600.27557	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	599.1577
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
55.01783	0.3
57.03327	0.5
59.00994	0.5
59.01270	7.1
61.98719	100.0
62.98423	0.6
68.99663	0.3
69.03340	0.3
71.01275	3.1
71.60112	0.4
71.63449	0.3
72.99222	0.5
73.02831	0.8
75.00774	1.7
81.03338	0.5
83.01290	0.6
84.25183	0.3
85.02860	1.3
87.00789	0.4
88.98700	0.5
89.02341	1.4
93.03372	0.5
95.01305	0.6
96.95921	2.7
97.02865	1.0
99.00780	0.5
101.02367	1.1
108.02104	0.3
109.02879	0.8
111.00754	0.5
113.02351	1.5
119.03439	0.4
121.02868	1.1
122.03669	0.3
123.00770	0.8
123.04455	0.6
124.01573	0.5
125.02389	1.7
128.07970	0.3
133.02887	0.5
135.04448	0.5
137.02402	1.6
145.02916	0.5
146.03659	0.7
147.04468	0.8
148.01576	0.7
149.02362	1.0
149.06000	1.0
150.03183	2.2
151.03838	0.4
159.04433	1.5
160.05237	0.5
161.02388	0.8
161.04684	0.4
161.06033	1.8
163.00316	0.4
163.03946	1.0
163.07600	0.4
164.01031	0.3
164.04776	0.4
165.01865	0.6
165.05576	2.1
167.03409	0.7
171.04407	0.3
172.05197	0.4
173.06078	0.5
174.03200	0.3
175.03954	0.9
177.01968	0.5
177.05501	0.4
179.03537	0.3
179.05464	0.4
179.07033	0.3
180.04301	0.4
183.04510	0.4
183.08162	0.4
184.05202	0.4
185.06030	0.9
186.03200	0.3
186.06868	0.4
187.03958	1.3
188.04793	1.7
189.01964	0.3
189.05510	0.8
190.02667	0.8
190.06314	0.5
191.06985	0.6
193.05009	0.5
194.05711	0.3
195.06575	0.9
197.06068	0.4
198.03152	0.3
198.06863	0.3
199.03958	0.6
199.07616	1.1
200.04739	0.6
201.05464	1.0
201.09042	0.4
203.07243	0.7
205.08707	1.0
209.06065	0.8
211.04037	0.5
211.07663	1.2
212.04747	0.7
213.05574	1.3
213.09070	0.7
214.02737	0.5
214.06308	1.1
215.03461	0.8
215.07150	0.9
216.04297	1.1
217.04948	0.5
223.03960	0.4
224.04677	0.5
225.05609	0.9
225.09157	0.7
226.02664	0.3
226.06418	0.8
227.03590	0.7
227.07137	3.6
228.07820	0.6
229.05139	0.7
229.08713	6.2
230.09048	0.5
231.03069	0.4
231.06699	2.6
232.03972	0.5
232.06952	0.3
236.04816	0.3
237.05550	0.7
239.03442	0.3
239.07106	2.1
240.07968	0.5
241.05098	0.7
241.08803	2.7
242.02272	2.2
242.05894	0.6
242.09138	0.4
243.02922	0.8
243.06644	0.8
244.03761	2.1
245.04480	0.4
249.05879	0.8
250.06154	0.4
251.07161	0.8
252.04288	0.3
252.08029	0.5
253.05060	0.3
253.08751	0.9
254.05817	0.4
255.02936	0.3
255.03908	0.4
255.06647	5.3
256.07257	1.0
257.08228	6.6
258.08716	0.4
260.06952	0.4
266.05914	0.4
267.06699	2.1
267.09454	0.4
268.07425	1.0
269.08209	2.3
270.01764	1.1
270.04941	0.4
271.06100	0.7
272.03345	1.9
273.07651	1.5
274.04874	0.3
279.06750	0.6
281.08240	0.8
283.06219	6.8
284.06607	0.6
285.07745	6.2
286.08142	0.5
291.06720	0.3
294.08728	0.4
295.06146	0.6
296.06882	0.7
297.07761	1.4
299.09366	0.4
305.08075	0.6
307.06317	0.3
311.05707	0.4
312.06320	0.4
313.07248	9.1
314.07761	0.9
315.08859	3.8
319.09467	0.4
321.07587	0.6
325.07401	0.8
329.10330	0.6
336.85257	0.3
341.10382	0.9
344.12598	1.3
359.15033	4.1
360.15289	0.3
371.14938	1.3
373.25958	0.5
374.26852	0.3
375.27466	0.5
376.27731	1.1
389.15866	0.4
406.17896	0.3
433.17432	0.3
434.17899	0.5
450.16562	0.9
468.17758	0.6
537.15503	1.2
539.33551	0.6
543.16388	0.7
553.14874	1.1
555.16888	2.5
556.16516	0.4
558.11865	0.4
571.16345	4.3
572.16431	0.8
581.13953	1.4
599.15540	17.3
599.23688	1.1
600.15704	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	599.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.5
61.98714	3.1
69.03337	0.8
69.31570	5.0
69.32003	2.7
71.01283	1.6
83.01270	0.9
87.00759	0.9
89.02322	1.3
89.03859	1.1
96.95895	2.1
108.02086	7.8
109.02851	3.4
113.02420	1.1
118.38901	0.7
123.04453	1.7
125.02353	1.6
133.02888	4.0
145.02855	1.3
147.04482	0.9
148.01543	0.9
149.02319	1.6
158.03700	0.9
159.04427	1.6
161.02371	1.1
163.00270	1.9
165.12761	1.8
173.06027	3.2
174.03253	1.6
175.03902	2.1
176.01105	4.5
177.01895	34.0
178.02304	1.0
181.06601	1.2
183.04483	1.8
183.08142	1.7
183.13943	2.4
185.06091	2.8
187.03937	1.5
187.07526	0.9
188.01108	1.1
188.04745	2.6
189.00310	1.2
189.01912	18.2
190.02606	2.7
191.03432	3.7
196.05229	1.4
197.06055	2.6
198.06926	0.9
199.03984	2.6
199.07585	1.7
200.04807	1.1
200.08052	1.0
201.01875	2.1
201.05568	2.8
201.09178	2.3
203.03609	0.9
209.06023	4.2
211.04089	3.8
211.07617	10.1
212.04718	3.0
213.05553	9.2
214.02740	4.2
214.06320	2.9
215.03528	2.8
215.07153	1.7
216.00647	8.8
216.04309	3.0
217.01419	39.4
218.01802	1.8
219.02972	3.8
220.03432	0.9
221.06110	1.0
223.07620	2.0
224.04744	1.4
225.05569	4.6
226.06299	2.0
227.03522	6.6
227.07115	12.1
228.04234	4.9
228.07742	1.5
229.01511	1.5
229.04991	2.4
229.08696	22.1
230.02177	1.7
230.05952	1.2
230.09021	1.2
231.03020	1.1
231.06635	20.5
232.06972	1.0
233.04449	2.0
236.04823	1.4
237.05577	6.8
238.06346	2.2
239.03419	1.7
239.07138	22.3
240.04224	0.9
240.07591	1.6
241.04955	4.1
241.08728	1.5
242.02238	3.4
242.05904	1.0
243.02974	3.0
243.06653	2.3
244.03775	1.4
246.01688	1.4
249.05418	1.0
251.07137	12.1
252.07721	1.7
253.05107	2.3
253.08765	1.4
254.02017	0.9
254.05748	2.0
255.03056	1.8
255.06630	11.6
256.03818	1.7
257.04559	2.8
257.08228	28.7
258.05423	1.7
258.08597	2.4
259.06165	3.5
265.05118	1.0
267.03000	1.1
267.06683	1.0
269.04645	3.0
269.08255	7.3
270.01825	2.0
270.05316	2.2
271.06140	8.8
279.06653	10.9
280.07217	1.9
281.04617	1.7
281.08301	1.6
283.02539	4.0
283.06174	4.4
284.03323	6.3
284.06381	1.2
285.04123	2.2
285.07727	2.7
286.04764	1.9
293.08301	1.1
295.02661	0.9
295.06052	0.9
297.04108	7.6
297.07742	8.6
298.04922	3.9
299.05621	6.4
299.09012	1.6
301.07239	25.0
302.07480	1.2
304.82520	0.9
308.03436	2.6
311.05731	4.7
313.07275	10.7
315.08801	0.9
325.03531	2.2
326.04279	6.4
327.05063	1.3
327.08792	0.9
329.06854	0.9
340.05951	1.6
341.06723	100.0
342.07059	10.1
343.08398	7.2
353.06622	0.8
355.08334	1.2
357.09860	1.0
358.03571	1.2
381.09915	1.2
393.09863	0.7
407.07794	1.3
411.08694	1.8
413.10245	1.9
415.08707	0.9
429.10080	4.2
431.11548	3.4
439.08014	3.5
457.09406	14.0
458.10034	1.5
489.13043	0.8
498.10233	1.2
526.09113	0.8
540.10358	1.2
548.11279	0.8
549.11969	0.9
553.15204	8.8
554.15222	1.4
555.17065	4.1
558.11621	1.3
563.13519	4.1
566.13123	0.9
567.13043	2.0
571.16101	1.2
581.14624	61.5
582.15009	9.7
598.28510	0.9
599.15643	15.2
599.34625	2.0
600.15790	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	599.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44775	0.7
59.01266	4.9
61.98722	5.3
70.18832	1.4
70.19259	2.8
71.01258	1.2
88.96677	0.7
89.02367	0.7
96.95921	2.2
98.19881	1.1
101.02371	0.8
108.02067	3.5
109.02869	2.9
111.08152	0.7
121.02876	2.0
123.00842	1.7
125.02348	1.7
132.02116	0.8
133.02884	1.4
134.03659	1.6
139.03920	2.1
145.02881	1.3
146.03664	0.7
149.02426	1.1
149.06055	1.1
155.04977	1.0
159.04483	1.2
161.02393	1.5
162.63971	0.8
163.00381	1.3
165.01923	0.9
167.05038	1.2
171.04485	1.1
172.05276	0.7
173.02397	3.1
173.06013	4.5
174.03104	1.2
175.04012	1.5
176.01097	3.4
177.01891	12.0
181.06558	1.4
182.03621	0.7
183.04507	2.5
183.08105	2.2
183.13814	1.6
184.63751	0.8
185.06020	2.2
186.06778	1.3
187.03951	2.4
187.07561	1.2
188.04733	2.8
189.01886	11.0
190.02652	1.8
191.03470	1.0
195.04552	1.3
196.05273	2.1
197.06050	1.0
197.35632	0.8
199.03992	4.0
199.07655	1.9
200.04675	1.1
201.05563	4.6
201.09148	4.0
209.06018	5.2
210.03270	0.8
210.06729	1.7
211.04053	7.1
211.07613	10.8
212.04738	3.6
212.08131	1.0
213.02023	0.7
213.05583	8.4
213.09245	1.0
214.02704	1.8
214.06285	4.7
215.03523	2.8
215.07146	1.8
216.00710	1.3
216.04329	4.1
217.01427	29.8
217.04692	1.2
218.01831	2.0
221.06036	0.8
224.04765	1.4
225.05580	2.8
226.06299	3.2
227.03606	7.9
227.07156	15.4
228.04189	2.6
228.07784	2.2
229.08717	32.4
230.09032	3.1
231.06642	26.6
232.07021	1.9
233.04562	1.1
237.05609	6.5
238.06172	2.3
239.03574	3.6
239.07169	25.2
240.04234	1.3
240.07616	1.8
241.05057	4.7
241.08722	2.0
242.05876	3.3
243.03000	1.1
243.06604	1.7
244.03897	1.0
246.05307	1.6
251.07158	4.6
253.05078	0.9
254.02301	3.6
254.05928	1.0
255.03024	21.3
255.06676	20.4
256.03540	2.0
256.07153	1.3
257.08243	53.1
258.08658	4.7
259.06180	4.0
260.06537	0.9
267.03043	2.8
267.06570	1.2
268.03610	1.0
269.04733	3.5
269.07996	4.1
270.05399	19.3
271.02768	0.8
271.05887	3.1
279.06720	6.6
282.02072	1.1
282.05240	2.4
283.02563	17.6
284.03180	2.6
285.07733	21.3
286.04935	1.3
286.08197	2.2
297.04150	3.4
297.07733	9.0
298.04913	13.7
298.08035	1.7
299.05557	6.0
301.07263	19.2
302.07581	1.0
311.05527	1.4
312.06543	1.3
313.07254	60.0
314.07745	5.4
319.09772	1.3
325.03427	1.3
326.04407	1.6
328.52576	0.9
340.05954	1.3
341.06738	100.0
342.07037	8.8
343.08548	4.2
369.07214	0.8
371.05496	0.8
386.08282	2.4
387.08838	4.3
403.11639	1.1
405.09909	7.1
413.10638	1.8
416.05569	1.2
430.07233	1.0
431.11954	1.0
445.09674	1.2
457.09442	2.2
474.09665	0.8
475.10526	6.6
476.10947	1.1
477.12048	1.4
489.11612	1.0
537.15955	1.5
553.15558	1.6
571.16156	1.5
581.14618	18.3
582.15051	3.9
584.13184	1.1
599.15851	19.8
600.16162	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65737	0.5
59.01268	5.7
60.17057	0.6
61.98719	3.0
68.40272	0.7
71.01261	2.1
71.10565	0.9
71.10908	1.6
73.02837	0.7
77.56401	0.7
83.01287	1.0
87.00774	0.6
88.24665	0.8
88.98708	0.6
89.02341	1.2
96.95904	1.7
101.02358	1.4
103.62517	0.7
108.02061	3.4
109.02869	2.6
115.72186	0.6
117.03403	1.1
121.02905	1.1
123.00834	1.2
123.04473	1.1
125.02367	1.6
133.02876	1.7
134.03677	1.2
145.02910	0.8
147.04503	0.9
149.02397	1.4
149.06027	0.8
161.02402	2.1
163.00294	1.6
163.03999	1.2
169.06517	1.0
173.02400	2.3
173.06018	3.1
175.03960	1.7
176.01138	3.2
177.01892	13.0
181.06506	1.0
183.04501	1.2
183.08160	1.8
183.13881	0.8
185.06004	2.0
186.06885	1.0
187.03937	0.9
188.04736	2.8
189.01915	11.7
189.05501	0.9
190.02614	2.4
191.03485	1.1
193.06511	1.0
195.08087	0.7
196.05353	1.5
197.06088	2.1
198.03220	0.7
198.06789	1.1
199.03960	1.7
199.07625	2.5
201.05516	3.8
201.09166	4.1
203.03380	0.7
209.06061	3.9
210.06766	2.0
211.04095	4.0
211.07626	9.7
212.04753	2.4
212.08086	0.7
213.05565	8.2
213.09155	1.8
214.06209	3.7
214.13760	0.8
215.03476	3.0
215.07108	1.5
216.00635	2.2
216.04263	4.1
217.01433	32.2
217.04791	1.5
218.01793	1.5
219.02925	0.9
221.06108	0.9
223.04190	0.8
223.07529	0.7
224.04759	0.9
225.05562	2.8
226.06258	1.1
227.03654	5.1
227.07143	13.5
228.04265	2.0
228.07742	2.0
229.05045	1.3
229.08711	29.6
230.09091	2.6
231.06645	26.8
232.07031	1.9
236.04834	1.5
237.05591	7.1
238.06189	2.4
239.03542	1.2
239.07155	28.3
240.04286	2.0
240.07518	2.3
241.05055	4.1
242.05780	2.3
243.03027	1.5
243.06659	1.6
244.03815	1.7
250.06123	0.8
251.07140	4.3
252.07756	0.8
253.05196	1.5
254.05890	1.6
255.03116	2.8
255.06670	21.2
256.03705	0.8
256.07150	1.9
257.08231	44.8
258.05865	0.8
258.08508	3.2
259.06104	4.8
265.05106	1.0
267.02942	0.7
268.07516	1.4
269.04678	2.1
269.08240	4.9
270.05368	6.2
271.06165	1.8
279.06720	5.8
283.02570	7.0
284.03171	2.3
284.06683	0.7
285.04800	0.9
285.07727	4.9
286.04819	1.2
297.04099	4.8
297.07761	8.5
298.04837	7.3
299.05536	5.2
301.07245	19.1
302.07416	1.2
313.07248	18.0
314.07477	1.9
324.02914	0.8
325.03531	1.8
326.04446	2.6
330.04462	0.7
337.10760	0.9
340.05771	1.0
341.06738	100.0
342.07056	9.0
343.08524	4.2
356.31448	0.7
377.10666	0.9
386.08069	2.6
387.08765	3.1
405.09708	6.4
406.10110	0.9
413.10431	1.8
423.10870	0.8
429.10278	1.1
457.09351	3.4
475.10397	6.2
476.10709	0.9
497.55679	0.7
537.15710	1.3
553.14941	1.4
563.13861	1.1
581.14691	20.7
582.15240	3.1
599.15869	12.4
599.35419	0.8
600.15930	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	599.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	17.4
61.98714	10.8
66.92733	2.3
69.98952	3.8
69.99368	9.1
71.01274	5.7
73.02866	2.1
87.39819	2.2
88.98718	2.0
94.23116	2.1
95.01251	2.4
96.95936	8.8
98.19772	2.3
101.02400	2.7
108.02090	6.4
109.02890	6.7
121.02859	3.7
123.00816	5.4
123.01974	2.1
123.04465	2.3
125.02376	2.6
133.02885	3.6
137.02437	2.2
147.69720	2.2
149.02382	2.4
161.02390	2.3
163.00278	4.7
164.00943	2.8
173.06038	4.1
176.01102	2.6
177.01891	27.6
183.04413	2.0
183.13855	3.5
189.01903	16.7
199.03958	4.5
199.07315	2.3
201.05429	2.3
209.06102	2.7
211.04037	7.1
211.07635	6.8
212.04642	3.0
213.05565	4.3
214.06375	2.5
215.03491	3.5
216.00673	7.5
217.01454	31.5
217.04839	3.2
218.01834	3.1
219.02951	5.5
223.07660	3.4
225.05603	3.1
227.03479	5.7
227.07048	10.6
228.04085	3.3
228.07684	2.4
229.08725	19.1
230.09132	2.7
231.06592	16.1
237.05602	6.4
239.03644	4.7
239.07143	21.9
241.05148	4.3
241.08710	3.3
243.03098	4.7
243.06752	2.8
248.56577	2.1
251.07140	10.7
252.07996	2.8
255.03078	14.9
255.06610	14.7
256.03613	2.0
257.04529	3.3
257.08206	29.1
259.06152	2.1
267.06775	2.6
269.04553	3.3
269.08197	6.5
270.05396	12.6
271.06207	5.3
279.06732	5.4
281.04755	4.0
283.02545	13.0
284.03290	5.5
285.04614	2.8
285.07745	11.7
297.04150	7.6
297.07776	12.2
297.10782	2.2
298.04865	5.9
299.05640	6.2
301.07260	19.2
301.51196	2.0
313.03595	6.6
313.07156	31.1
326.04465	5.0
341.06720	100.0
342.07013	6.8
343.08142	7.2
351.08740	6.0
415.04498	13.9
416.05292	5.2
429.10172	3.6
430.06992	6.6
445.09470	32.5
446.09860	6.9
457.09283	11.9
526.09241	2.5
539.14764	3.1
541.10736	3.9
552.10565	2.6
553.15088	8.2
555.16956	2.9
556.14697	2.2
563.14014	3.3
567.12988	8.3
571.15729	6.2
581.14563	56.0
582.15070	8.7
584.13562	4.5
596.03467	2.4
599.15796	50.8
599.34216	3.3
600.16125	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	598.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15240	0.1
59.01265	1.5
61.98717	100.0
62.98411	0.1
66.50462	0.1
69.03350	0.1
71.01265	0.6
71.62629	0.1
73.02818	0.1
75.00774	0.4
76.12092	0.1
85.02840	0.2
89.02346	0.4
96.95908	0.6
101.02364	0.3
108.02075	0.1
110.43389	0.1
113.02322	0.2
119.12560	0.1
125.02399	0.3
131.03465	0.1
135.04453	0.1
137.02429	0.1
149.02419	0.2
149.04509	0.2
150.03206	0.2
151.00401	0.1
151.03917	0.2
152.01044	0.3
160.04013	0.1
165.05539	0.3
167.03488	0.1
175.02458	0.2
195.06607	0.2
216.41005	0.1
255.06691	0.1
265.77158	0.1
293.08768	0.1
294.09479	0.1
373.12982	0.1
373.26019	0.8
375.27069	0.1
376.27948	0.2
388.15146	0.2
430.11121	0.1
558.11517	0.1
598.13928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74594	0.1
59.01274	0.9
61.98718	100.0
62.98421	0.1
70.04523	0.6
71.01287	0.2
83.87462	0.1
83.92418	0.1
89.02309	0.2
95.21146	0.1
96.95927	0.3
101.02344	0.1
118.95915	0.1
122.08561	0.1
125.02380	0.1
129.15007	0.1
134.72075	0.1
167.03351	0.1
191.98253	0.1
207.38641	0.1
209.11894	0.1
242.02235	0.3
246.58504	0.1
273.70740	0.1
346.64401	0.1
373.26093	0.5
376.27002	0.1
417.64941	0.1
555.13971	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96533	0.2
57.03345	0.3
59.01265	4.9
61.98719	100.0
62.98407	0.2
64.60773	0.2
70.96989	0.4
70.97319	0.2
71.01277	1.7
72.99204	0.7
73.02839	0.6
75.00764	2.4
83.01305	0.4
85.02843	0.9
87.00777	0.6
89.02349	1.0
93.03404	0.2
95.01315	0.4
96.95924	1.5
97.02856	0.3
99.00789	0.4
101.02346	0.8
108.02122	0.2
109.02895	0.5
111.00779	0.2
113.02394	0.8
117.25748	0.2
119.03410	0.2
119.04988	0.3
123.00840	0.3
123.04440	0.3
124.01598	0.2
125.02386	0.6
134.03693	0.4
135.04451	0.3
137.02383	0.3
146.03636	0.2
149.02420	0.4
149.06027	0.3
150.03195	0.6
151.00359	0.2
151.03966	0.4
159.04486	0.6
161.02429	0.2
161.06038	0.3
162.03117	0.2
163.00415	0.2
163.03989	0.2
164.04745	0.2
165.01863	0.2
165.05545	0.6
165.24777	0.2
167.03497	0.3
167.04926	0.2
177.02011	0.2
181.05074	0.2
185.06039	0.2
187.04005	0.2
188.04706	0.3
189.05502	0.3
195.06712	0.3
197.06129	0.2
199.03975	0.2
199.07742	0.2
200.04903	0.2
201.05579	0.3
211.04048	0.2
211.07715	0.2
213.05663	0.4
216.04321	0.2
225.05612	0.4
227.03481	0.2
227.07172	0.7
229.08752	1.4
231.06767	0.7
239.07211	0.4
241.05022	0.3
241.08839	0.7
242.02322	0.6
243.03075	0.4
244.03825	0.8
249.06258	0.4
255.06613	1.1
257.08276	1.5
267.06784	0.4
269.04831	0.2
269.08151	0.3
271.02554	0.2
271.06122	0.5
272.03519	0.6
273.07785	0.3
283.06168	1.3
284.03189	0.2
285.07767	1.4
297.07782	0.3
313.07263	2.7
315.08884	0.9
325.07343	0.3
373.26187	0.6
375.27664	0.3
376.27982	0.9
508.21185	0.2
539.33582	0.2
553.15570	0.4
555.17291	0.6
558.11987	0.4
571.16077	0.8
581.15118	0.3
598.22876	0.5
599.15381	4.7
599.23608	0.6
608.13245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80789	0.9
55.01778	4.5
57.03324	2.0
59.01266	57.9
69.40002	3.8
69.40430	4.6
71.01275	12.3
72.99198	2.6
73.02831	1.5
75.00754	6.3
75.83032	0.9
85.02847	5.5
87.00763	2.1
89.02337	9.2
95.01260	0.9
96.95889	1.6
97.06437	0.8
99.04430	8.0
101.02352	7.7
113.02357	3.8
119.03438	2.5
129.01878	2.9
147.02951	1.9
152.04100	0.9
155.85316	0.9
165.03993	6.8
165.12796	4.8
189.12883	1.2
207.13907	11.0
209.11838	23.2
225.14946	8.5
251.12880	4.8
264.74298	1.0
269.13998	52.0
270.14346	4.4
417.17896	2.4
449.20383	62.6
450.20761	5.2
477.14526	1.1
579.23279	1.2
597.24146	100.0
598.24487	14.2
606.63232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	28.4
59.27044	1.6
60.57476	1.8
61.98717	40.9
62.67290	2.0
63.37938	1.7
66.90076	1.6
70.76913	5.5
71.01261	11.7
72.99205	3.2
73.02846	4.6
75.00764	18.8
83.01251	3.8
85.02840	6.9
88.98681	5.0
89.02323	7.3
96.95918	15.5
99.00776	2.2
101.02345	6.3
109.02872	2.4
113.02333	6.4
123.00751	2.4
125.02274	2.6
133.06522	2.5
134.03644	3.2
135.04422	4.4
149.02377	2.8
149.06029	3.7
151.00325	2.6
152.01163	2.0
158.03723	2.4
159.04395	3.6
161.02371	4.2
161.04591	2.5
173.02309	2.4
177.01929	2.5
178.99767	4.3
185.05965	2.0
186.03185	8.5
187.03976	3.4
188.04848	2.5
189.01973	4.7
190.02762	2.6
197.05991	2.2
199.04005	3.2
200.08186	1.9
202.02676	13.9
202.99570	2.0
208.93214	1.9
211.03935	2.1
213.01962	9.6
213.05556	4.5
214.02664	50.1
215.03314	8.9
218.02228	2.9
224.60092	2.2
227.03484	4.0
227.07104	4.4
229.01366	2.1
229.08705	3.0
230.02240	2.5
239.07077	3.5
241.01515	10.4
241.05061	5.7
242.02226	49.8
242.04680	2.4
243.02925	15.6
246.01707	30.5
247.02132	3.4
249.05849	2.3
254.02228	2.6
255.02946	1.9
255.06662	5.7
256.07391	6.0
257.08127	4.1
267.06860	3.1
269.04449	2.2
270.01819	9.8
271.02475	6.5
271.06122	6.1
272.03177	2.3
283.06174	92.6
284.06842	18.4
285.07626	3.4
294.85361	2.5
295.05975	3.3
311.05719	21.6
312.06381	19.1
313.07086	6.0
375.27545	2.4
387.11111	2.9
417.06189	2.2
494.09686	2.7
520.08038	4.6
537.40442	3.8
556.10248	18.6
557.10535	3.1
579.12988	8.7
597.14001	100.0
598.14685	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	597.178
Annotation	Hexaspermone A
Peak:m/z	Relative Intensity
59.01257	3.8
61.98715	2.7
65.03840	1.3
67.01762	1.0
69.47640	2.6
69.48062	3.2
71.01259	1.2
89.02311	1.0
95.01279	2.2
96.95917	2.2
108.02077	2.3
109.02864	17.9
113.02359	1.1
121.02873	26.8
123.00797	8.4
123.04468	1.1
124.01592	1.8
125.02359	1.4
130.36183	0.8
133.02858	2.0
135.04492	1.0
136.01535	0.7
137.02368	1.2
138.03157	7.6
153.05547	3.5
157.02917	0.7
157.06436	0.6
161.02467	1.2
171.04477	0.9
181.06543	0.8
183.04506	3.0
187.04022	1.3
197.06056	2.4
199.04022	2.8
209.05939	0.9
211.04012	5.6
213.05545	0.8
215.33418	0.7
223.04074	0.9
225.05594	3.7
226.02750	3.0
227.03485	9.5
229.05020	0.9
235.04077	1.3
237.05559	1.9
239.03589	2.7
240.04199	2.0
241.05043	1.2
249.05806	0.9
250.02878	0.8
251.03606	2.1
253.05125	3.8
254.02231	16.8
255.03014	40.2
256.03644	5.9
257.04623	1.3
261.05725	1.0
263.03378	1.7
264.04385	1.6
265.05072	1.5
266.02374	1.2
267.03043	5.3
268.03839	2.6
269.04550	9.8
270.05356	20.7
270.08069	1.3
271.06113	3.1
273.78052	0.7
277.05194	1.2
278.05670	1.1
280.03824	2.4
281.04602	18.4
282.05402	4.7
283.06152	1.6
284.06995	16.1
285.07678	22.4
286.08408	2.0
289.05096	1.0
290.06137	1.4
291.03162	1.1
291.06580	1.4
294.05316	0.9
295.06128	4.0
296.06921	7.9
297.07739	7.4
299.09479	1.1
301.05139	0.7
301.10953	4.1
302.11188	0.9
302.41858	0.7
303.06796	1.1
305.04523	1.4
310.08630	1.3
311.09311	36.4
312.09641	3.0
312.24783	0.7
315.06610	1.6
317.04663	2.1
318.05402	3.2
327.06677	1.1
328.07498	1.3
329.04675	1.0
329.08322	0.9
330.05176	1.3
333.07745	1.0
339.06741	1.0
342.05386	1.5
343.06332	2.1
345.04196	1.2
345.07874	1.0
346.04721	1.6
346.08524	0.9
355.06210	1.1
357.07855	2.0
358.04654	1.0
367.06259	0.8
371.05728	2.0
372.06424	1.6
373.03516	1.3
373.07764	0.9
374.04318	5.0
375.05038	2.0
385.07443	1.8
387.05054	1.4
388.06213	1.1
389.06818	5.1
390.07532	1.1
396.06738	1.1
399.04932	1.0
400.05746	1.1
401.06860	2.1
403.08493	1.6
404.09018	10.6
405.09778	1.7
412.05963	0.9
413.06711	8.1
414.07690	4.7
415.04886	2.5
416.09619	1.1
417.10040	1.4
419.10040	0.8
427.08917	1.0
428.09351	3.7
429.05118	0.9
429.10089	2.3
430.06677	3.8
431.07199	1.2
442.06860	1.1
443.11880	12.2
444.12830	4.5
445.09198	7.0
446.09494	1.0
457.09570	2.0
458.10440	1.6
459.10812	1.0
460.11691	4.3
461.12308	2.4
472.11896	0.9
473.12595	2.6
475.07996	1.7
475.14151	15.2
476.14322	2.5
477.09958	1.3
487.14307	6.3
488.14545	1.3
521.08984	0.9
534.09930	1.2
535.10382	1.0
537.08472	1.5
549.12042	0.9
551.13739	1.5
552.11139	1.2
564.14551	1.2
565.14929	2.1
567.13196	4.9
579.16681	7.3
580.16833	0.8
581.14294	1.2
582.15472	11.8
583.16058	1.8
597.17877	100.0
598.18237	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	597.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.2
61.98721	2.5
65.03842	2.1
65.20622	0.9
69.83565	4.6
69.83988	1.4
71.01251	1.3
72.99164	1.1
77.36349	0.8
77.88029	1.0
85.73579	0.8
87.66259	0.9
96.95872	2.4
98.19942	1.5
109.02857	17.1
109.99988	1.3
121.02821	1.9
123.00817	2.0
133.02856	1.9
137.02449	1.3
158.03690	2.2
183.04463	3.1
184.83745	0.9
188.04739	1.4
200.04695	1.2
211.03963	5.9
211.13408	2.0
212.04710	6.6
223.04005	1.5
224.04811	1.0
225.05617	1.0
226.02740	1.5
227.03651	4.8
239.03517	3.2
241.05020	1.6
253.01514	2.7
255.03011	6.5
256.03793	100.0
257.04111	6.9
267.02954	4.3
269.04565	13.6
270.05368	20.3
271.06161	60.5
272.06506	4.3
281.01074	6.9
282.01743	23.6
282.05188	2.4
284.06985	5.5
285.07736	41.0
286.08005	2.6
295.02481	10.6
296.03152	3.5
297.04117	24.9
297.07516	1.2
298.04520	3.0
299.09335	8.4
310.04800	5.5
311.05710	12.6
313.03650	1.3
325.07217	39.0
326.07544	2.9
487.10342	2.0
549.07886	1.1
579.12952	2.8
582.11987	1.6
597.13977	13.0
598.14667	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	597.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01265	7.9
61.98717	14.8
63.02285	5.0
65.00211	4.3
66.53371	0.4
70.75311	0.4
71.01273	3.1
71.11636	1.0
73.02827	0.5
75.00761	1.0
80.14052	0.4
83.01272	4.3
83.04913	0.4
85.02834	1.2
87.00792	0.8
88.98676	0.6
89.02338	1.5
93.03342	0.4
95.01281	0.9
96.95930	1.2
99.00798	0.6
101.02338	1.5
102.50915	0.4
107.01302	9.1
108.02147	0.5
109.02891	0.6
113.02351	1.7
123.00739	0.7
124.01587	3.9
125.02409	2.5
130.04137	0.5
135.04439	1.8
137.02322	0.8
149.02417	0.4
151.00317	24.7
152.01106	8.2
153.01826	1.0
159.04439	0.6
159.47301	0.4
160.03967	0.5
163.00238	1.5
164.01129	0.7
167.44609	0.5
169.01384	5.2
176.01118	4.8
177.01874	2.5
178.99829	21.6
180.00195	0.7
181.06654	0.4
181.78195	0.4
187.03986	0.6
192.00566	1.3
193.01395	2.9
198.06851	0.5
199.04019	0.8
205.01413	4.6
206.01991	0.6
209.05937	0.7
211.04019	0.8
212.04730	0.7
213.05580	0.6
214.02676	0.7
216.38342	0.4
219.02916	0.6
225.05620	3.5
226.06308	1.4
227.03545	2.5
227.07141	0.9
228.04076	0.7
229.05113	0.5
229.76527	0.5
233.00981	1.0
237.05592	1.0
238.06264	0.5
239.03487	0.7
241.01738	0.5
241.05002	0.9
242.02182	0.9
243.03067	0.8
246.01686	0.4
249.05583	0.5
252.04259	0.6
253.05086	3.7
254.05904	3.8
255.06598	1.1
259.02451	0.7
264.04349	0.7
265.05396	0.6
267.06808	0.8
279.06793	0.6
281.04633	1.4
282.05356	1.6
283.06165	1.2
293.04721	0.5
299.05588	0.5
305.07813	0.5
309.04053	0.5
333.07693	0.8
337.03448	1.4
349.07312	0.9
349.20813	0.4
359.05609	0.7
360.06451	0.8
361.07306	1.2
365.03110	1.7
366.03918	0.9
371.05505	0.8
377.06766	1.1
378.07507	2.1
379.04617	1.6
387.05173	0.6
388.06113	1.4
389.06696	4.8
390.07306	0.9
391.04715	1.8
392.05466	0.8
393.02371	0.9
393.07004	0.7
395.78564	0.4
405.06290	2.1
406.06992	8.6
407.07715	3.5
408.08069	0.5
416.05438	1.8
417.06256	10.4
418.06628	1.1
433.05789	0.6
434.06491	8.0
435.07138	7.1
436.07315	0.7
462.31952	0.8
597.12659	100.0
598.12976	18.1
598.22675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48278	0.3
57.03341	1.7
59.01265	12.9
61.98716	11.0
62.15478	0.3
69.03355	0.3
70.46944	1.2
71.01270	14.6
72.99207	2.6
73.02851	1.5
75.00761	4.2
83.01283	0.9
85.02849	2.5
87.00771	26.5
88.98707	1.1
89.02344	2.5
93.03359	0.5
95.01270	0.4
95.04906	0.4
96.95914	1.3
97.02852	0.9
99.00790	0.8
101.02341	1.7
108.02075	1.2
109.02862	1.6
112.98722	0.4
113.02361	2.1
115.00285	41.6
116.00621	1.0
119.03397	0.4
121.02863	0.8
122.03680	0.4
123.04398	0.4
124.01599	0.4
125.02365	4.8
127.00320	0.7
127.03977	0.5
131.03368	0.4
135.00795	1.0
135.04459	0.7
137.02399	0.9
147.04492	0.5
149.02399	2.5
149.04478	0.4
150.03200	2.9
151.00337	0.4
151.03873	0.4
152.01106	0.9
153.01880	1.5
158.03670	1.1
159.04439	0.6
161.02371	0.8
163.00294	1.4
163.03918	0.5
164.01103	1.0
165.01898	1.4
165.05534	2.3
166.02615	0.4
167.03445	0.8
173.02327	0.6
174.03067	0.5
175.02437	100.0
176.02786	3.3
177.01874	4.2
179.03410	0.6
179.05656	0.4
186.03140	1.4
187.04007	0.5
189.01898	0.8
190.02727	0.6
193.01395	1.3
195.02956	5.6
195.06590	1.3
198.03123	0.3
199.07648	0.5
201.01900	0.6
201.05560	0.4
202.02647	2.9
202.99826	4.3
203.03012	0.5
211.07643	0.7
213.01936	1.7
213.05524	1.2
214.02704	10.2
214.05960	0.5
215.03345	1.7
215.06958	0.4
221.00885	1.3
224.04686	0.4
225.05574	0.5
226.02647	0.4
227.03584	0.4
227.07108	1.4
228.07841	0.5
229.08716	1.5
230.02164	0.5
231.06635	1.3
233.06569	0.4
237.05684	0.4
239.07133	1.8
241.01419	1.7
241.05107	0.8
241.08778	0.7
242.02240	6.3
243.02899	2.4
243.06639	0.5
246.01697	4.2
249.05569	0.3
253.05006	0.6
255.06714	3.0
256.07065	0.8
257.08224	2.8
267.06677	2.3
269.08295	0.5
270.01651	1.2
271.02377	1.0
271.06131	0.8
279.06693	1.2
280.07251	0.6
283.06171	20.0
284.06689	2.9
285.07681	1.5
293.08774	0.7
295.06195	2.8
296.06812	0.6
297.07581	0.6
308.06970	0.5
311.05695	3.0
312.06406	2.2
313.07309	2.1
315.06381	0.4
317.08224	0.4
319.06284	0.5
353.06772	0.5
360.06604	0.4
371.11176	0.4
374.26367	0.7
375.08411	0.5
375.27432	1.1
383.11404	1.2
389.10422	0.7
405.09827	1.4
417.09698	1.5
421.09387	0.8
429.10413	1.8
435.10785	0.6
449.20416	0.6
451.10022	0.4
461.08881	4.7
462.08908	0.6
477.08456	0.3
479.09937	4.5
480.09985	0.6
512.00916	0.4
537.10962	0.5
538.09204	0.7
539.09204	0.4
549.17603	1.1
556.10651	1.5
557.10199	0.6
575.50061	0.3
579.12909	0.7
597.14008	13.2
597.21478	0.6
598.14203	3.1
598.22443	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	597.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40205	0.4
57.03320	0.9
59.01264	6.6
61.98718	15.3
63.02279	5.1
65.00210	4.3
66.88685	0.3
69.88063	0.3
71.01270	2.3
71.04382	0.5
72.99184	0.5
73.02812	0.8
75.00759	0.9
83.01276	4.2
85.02837	1.2
87.00780	0.6
88.98696	0.9
89.02323	1.3
93.03339	0.7
95.01298	1.0
96.95918	2.4
97.02875	0.3
99.00768	0.4
101.02351	1.2
105.34726	0.3
107.01300	9.8
109.02887	0.8
111.00822	0.4
113.02380	1.0
119.03467	0.4
121.02869	0.7
123.00778	0.6
123.04417	0.3
124.01591	4.2
125.02389	2.7
130.04134	0.5
135.04457	0.7
137.02364	1.5
149.02364	0.5
150.03125	0.5
151.00316	25.7
152.01111	8.1
153.01868	1.0
159.04454	0.8
160.03938	1.0
161.04411	0.6
163.00261	0.4
169.01376	3.8
174.03098	0.6
175.03912	0.6
176.01123	4.4
177.01917	2.4
178.99821	18.7
180.00157	1.1
180.07890	0.3
183.04562	0.4
186.12544	0.4
187.03984	0.8
189.01884	0.6
192.00620	1.0
192.22421	0.3
193.01381	3.9
198.06818	0.5
199.03996	0.4
201.01930	0.4
201.51714	0.4
203.03508	0.5
205.01443	4.8
206.01984	0.8
209.06078	0.8
211.03976	1.3
212.04823	0.5
213.05461	0.6
214.02788	0.9
215.03377	0.4
215.07120	0.4
216.04320	0.4
219.02898	0.7
221.06329	0.4
223.09798	0.7
225.05598	3.4
226.06287	1.4
227.03523	2.2
227.07085	1.6
228.04265	0.4
229.01558	0.5
229.05180	0.7
233.00893	0.7
235.04080	0.4
236.04915	0.4
237.05515	0.9
238.06403	0.4
239.03549	0.9
240.04221	0.7
241.05159	1.1
242.02234	1.6
243.03102	0.7
245.00688	0.4
246.01427	0.4
249.05775	0.4
251.03601	0.4
252.04311	0.4
253.05077	4.4
254.05786	2.9
255.06699	2.3
263.03561	0.5
264.04449	0.5
265.05136	0.8
267.03076	0.5
267.06693	0.9
279.03079	0.4
279.06558	0.4
280.03772	0.5
281.04831	1.6
282.05399	1.2
283.06149	1.2
291.06677	0.5
292.03891	0.4
293.04486	0.5
303.19711	0.4
307.06079	0.5
309.04233	0.6
309.07584	0.5
319.06149	0.5
321.07733	0.4
325.07254	0.6
331.06229	0.5
332.06924	0.6
333.07782	0.7
334.04504	0.4
335.05969	0.5
337.03442	1.0
343.05978	0.4
345.07718	0.5
346.04837	0.5
347.05652	0.8
349.07190	1.0
359.05646	0.7
360.06598	0.6
361.07205	1.2
365.03162	2.3
366.03839	1.6
367.12424	0.4
371.05637	0.6
374.26398	0.5
377.06735	1.2
378.07562	2.5
379.04343	2.1
387.05133	0.8
388.05814	1.1
389.06717	6.0
391.04684	1.1
392.05203	0.6
393.02435	1.2
393.06821	0.7
405.06461	2.5
406.06998	7.7
407.07687	4.1
415.04761	0.7
416.05386	2.5
417.06198	9.6
418.06555	1.2
419.03967	0.4
433.05331	0.4
434.06494	9.6
435.07153	8.2
436.07562	1.3
489.19376	0.8
519.20093	0.8
537.30933	0.7
566.33496	1.6
567.33862	1.2
579.12354	0.4
597.12622	100.0
598.12964	18.8
598.21448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70796	0.5
55.01771	1.1
55.55315	0.6
57.03340	6.0
58.00492	0.7
59.01265	93.2
60.01605	0.9
60.63406	0.6
61.98720	8.7
69.03339	1.5
69.78531	2.8
71.01270	11.8
71.04906	3.4
72.99215	1.0
73.02843	5.2
83.01275	4.3
85.02849	5.8
87.00790	0.7
89.02330	5.0
95.01318	1.7
96.95940	0.9
99.00787	0.9
101.02345	11.3
113.02363	10.7
114.02673	0.7
118.01905	0.6
119.03448	2.5
119.25747	0.5
125.02399	0.9
131.03448	1.4
138.06743	0.6
143.03500	1.5
149.04558	1.3
155.14388	4.0
161.04520	5.4
164.49454	0.6
173.55139	0.6
179.05577	2.0
183.13870	2.3
185.15466	7.0
186.50002	0.5
193.01218	0.6
197.15474	1.8
199.17007	9.0
211.16969	1.5
213.18604	10.4
221.06625	4.2
229.18161	0.8
243.19673	29.0
244.20026	2.3
255.19701	3.0
293.60812	0.7
295.22836	4.2
313.23950	17.1
314.24307	1.8
355.24936	1.9
373.26016	100.0
374.26398	11.8
379.24887	0.6
415.27390	0.6
463.10062	0.9
582.17175	0.6
595.14526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.3
57.03332	4.3
58.00467	1.4
59.01266	100.0
61.98716	1.4
71.01270	35.2
72.99211	2.5
73.02844	9.9
74.66459	1.0
75.00764	3.6
75.30588	1.0
76.82796	1.1
79.95641	0.9
83.01258	6.5
85.02842	29.4
87.00758	1.9
89.02340	10.3
93.03356	2.0
95.01292	3.8
95.95202	0.9
96.95937	2.3
97.02864	2.3
98.19775	2.2
99.00765	4.6
101.02348	24.7
101.08267	0.9
109.02862	1.9
111.00832	1.6
111.96057	0.9
113.01618	2.0
113.02361	15.7
115.00319	1.4
117.03345	2.1
119.03434	3.9
119.04903	1.0
121.02883	18.0
123.00770	1.4
125.02402	5.1
129.01851	5.2
133.02850	1.3
135.04451	9.0
137.02394	4.7
138.03120	3.2
141.24896	1.2
143.03426	1.8
145.02855	1.8
147.02945	1.7
147.04431	4.3
148.05103	1.3
149.02403	2.7
150.03169	2.0
151.03911	2.2
151.82915	1.1
153.01802	1.4
159.02924	3.3
159.04419	1.7
161.02396	1.8
161.04497	7.7
163.03957	2.3
163.11200	1.3
164.04689	1.1
165.01868	2.4
165.04062	1.9
165.05518	2.3
167.03491	1.3
169.38788	0.9
175.00327	3.6
176.04814	1.2
177.01860	2.0
179.03384	3.3
190.02715	1.5
191.01968	11.6
191.03493	1.4
192.00565	1.3
193.01402	3.9
205.01474	1.7
207.03217	1.4
207.10271	4.1
209.02937	3.2
209.04564	12.7
223.02463	1.2
229.70787	1.4
235.02606	1.5
239.07184	1.1
240.04221	1.1
252.04419	1.0
253.04829	1.2
267.07040	1.3
267.12296	2.6
268.07501	2.1
272.07059	1.9
277.03519	1.2
283.06293	1.2
283.09906	3.4
297.07635	2.0
300.10172	5.4
311.05542	2.8
315.12320	2.2
325.06961	1.7
327.05017	2.1
327.08719	1.6
329.06631	3.1
339.05115	2.2
340.51920	1.1
341.06863	1.3
349.05878	1.1
353.06714	3.2
357.05707	1.1
359.07813	3.9
369.06146	2.7
373.14188	3.2
373.22379	7.1
378.83698	1.2
383.07788	1.3
385.05515	2.2
387.07275	1.0
403.10403	19.8
403.15387	2.0
404.11002	2.3
415.06763	3.4
429.08392	1.6
443.10291	1.2
445.07434	1.8
447.18784	5.1
457.07925	1.3
463.17313	3.2
473.10901	2.0
475.09198	5.2
490.37360	1.1
505.10120	4.1
535.27722	75.7
536.27942	10.3
561.12378	1.6
562.13361	3.0
577.12268	2.6
595.13635	27.2
595.23126	9.3
596.13367	7.4
596.22668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.29
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.95601	0.5
61.14723	0.4
61.98698	0.5
62.96291	0.5
65.84616	0.5
69.67864	0.4
70.28798	1.4
78.95793	65.8
82.27924	0.4
85.36568	0.4
96.95911	0.9
96.96862	12.3
144.51573	0.5
150.98022	0.9
152.99522	97.7
153.99869	1.9
171.00589	2.5
222.98111	0.8
223.00131	10.5
241.01202	25.2
242.01524	1.0
242.39418	0.4
259.02188	1.1
275.06393	0.6
277.21793	1.1
279.23343	71.7
280.23700	6.5
315.04953	13.2
316.05069	0.8
333.05994	1.2
365.33798	0.4
595.29010	100.0
596.29376	16.5
596.37115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31986	0.7
55.01780	1.6
57.03340	3.1
58.00475	1.1
59.01266	100.0
62.14777	0.7
64.11419	0.7
70.79463	2.5
71.01271	32.7
72.99213	1.5
73.02832	9.6
75.00777	2.5
81.03365	1.1
83.01285	5.6
83.18472	0.7
85.02843	20.6
87.00781	1.1
89.02337	9.5
93.03359	1.3
95.01296	3.6
96.95914	1.7
97.02842	1.0
98.20529	0.9
99.00788	4.3
101.02347	23.0
107.48431	0.8
109.02912	1.3
109.77123	0.8
111.00819	1.7
113.02361	11.9
117.03389	1.9
119.03438	3.3
121.02875	25.2
123.04398	1.0
125.02371	1.8
129.01889	1.3
134.85588	0.7
135.04457	2.4
137.02411	2.2
138.03172	1.3
143.03499	1.7
146.06067	0.9
147.04477	1.3
149.02415	2.3
150.03214	0.9
151.00429	0.9
151.03947	0.9
159.02986	2.7
161.02406	1.0
161.04512	6.1
165.01855	0.9
165.04083	0.8
167.03403	1.1
170.26897	0.7
175.04016	2.1
177.01900	1.5
179.03593	1.1
179.05585	1.3
189.01880	1.0
191.01967	2.9
191.03401	1.8
193.01427	1.7
204.06708	0.9
207.03033	1.2
207.10301	3.2
209.04555	17.7
209.06377	1.4
219.03056	0.8
223.13408	1.2
247.02618	1.2
257.04468	0.8
267.12512	1.4
297.07748	1.1
300.10223	2.1
301.03586	0.8
311.05646	1.3
315.12674	0.9
317.20306	0.8
325.35553	0.9
329.06799	1.4
329.15353	1.2
339.05215	1.0
343.13144	1.6
353.06741	1.0
355.08032	1.0
357.06448	1.1
373.14377	3.0
373.22318	4.7
385.06104	2.3
403.10812	4.0
403.15451	1.0
415.07181	2.3
415.19785	4.7
445.07971	1.1
447.18903	2.6
463.17593	2.4
475.08524	3.5
505.10098	1.8
535.27698	62.6
536.28040	7.4
562.13367	1.5
595.13812	11.3
595.23187	6.3
596.13617	1.7
596.22815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.277
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
54.02947	0.5
56.20277	0.5
56.72966	0.5
59.01266	9.4
61.98717	7.5
64.11494	0.5
66.40850	0.5
71.01266	5.2
72.99205	0.9
73.02818	0.8
83.01291	0.9
85.02840	2.0
86.44949	0.6
87.00787	0.7
89.02349	2.9
91.72923	0.5
95.01279	0.8
96.95922	1.5
98.19789	1.2
99.00761	0.7
101.02336	3.8
109.02898	0.6
113.02349	1.9
119.03468	1.0
125.02351	0.5
135.04443	1.1
141.01790	0.6
146.03683	1.9
147.04410	0.9
148.05243	8.1
160.05214	0.6
161.04533	1.2
161.06032	3.1
162.06815	26.9
163.07213	1.3
164.04723	1.0
173.06065	0.8
174.06854	0.8
175.07602	0.8
176.04761	1.7
183.13882	0.8
188.08363	4.2
190.06355	3.2
194.05801	0.9
211.13405	5.0
227.12912	0.6
249.23190	0.6
253.09271	1.4
257.15503	15.4
258.15909	1.8
285.18671	2.5
287.20264	2.0
297.18637	1.3
301.14642	0.7
313.18158	76.0
314.18506	8.9
319.09766	1.2
323.16525	1.7
331.19183	22.3
332.19608	3.7
337.10690	3.0
341.13464	1.1
341.17624	20.8
342.17850	1.8
359.18698	17.6
359.23141	0.7
360.18903	1.5
433.22369	1.2
483.72659	0.8
523.14191	2.5
567.28357	1.5
577.27380	0.6
595.27704	100.0
596.18549	1.0
596.28070	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07411	0.4
55.91224	0.3
59.01263	8.8
60.99193	3.3
61.98717	13.9
65.27396	0.4
69.03355	0.6
71.01266	4.7
72.99203	1.2
73.02830	1.0
75.00764	0.6
83.01277	0.6
83.04914	0.4
85.02840	1.9
87.00789	1.0
88.00297	0.6
88.98698	24.5
89.02333	5.0
95.01308	0.6
96.95912	1.1
98.20680	0.7
101.02351	3.1
105.03386	0.6
113.02370	1.7
119.04903	0.7
125.02323	0.4
135.04466	1.2
143.04936	0.4
145.06520	0.9
146.03662	1.4
147.04451	12.5
148.05226	5.4
155.04904	1.0
158.03586	0.5
159.04456	16.3
160.05101	1.6
161.02397	0.8
161.04633	0.8
161.06024	3.8
168.25327	0.4
172.05240	4.2
173.06030	25.5
174.03203	1.6
174.06732	3.0
175.03963	4.8
176.04500	0.6
183.13873	1.1
185.05983	1.8
186.06857	1.4
187.03979	4.7
187.05470	0.5
187.06052	0.6
187.07599	6.1
188.08354	1.3
189.05539	13.6
190.05832	0.6
197.06091	0.6
198.06902	0.5
199.07542	0.7
200.08336	0.9
201.05569	6.4
201.09174	0.6
202.05960	0.7
211.13362	12.5
212.13718	0.7
213.09102	0.5
215.07188	3.2
216.07918	33.0
217.08316	2.3
241.12300	1.0
253.09285	0.6
255.13918	0.6
271.16986	0.4
275.13037	0.6
276.72177	0.4
283.13330	0.8
285.15088	2.9
289.14557	0.4
290.15247	0.4
297.15005	13.4
297.18372	0.6
298.15396	1.2
300.13681	8.1
301.14182	0.7
313.18085	1.6
315.16049	3.8
317.13873	0.5
318.14752	4.6
319.15073	0.5
323.16464	2.8
324.16785	0.5
341.17633	52.3
342.17966	5.9
359.18710	26.0
360.19138	3.4
403.26337	0.8
433.09366	1.5
433.22235	0.9
535.31323	0.6
595.27710	100.0
596.28015	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	595.2774
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01266	5.7
60.99194	0.4
61.98724	2.7
69.03354	0.7
71.01270	2.4
71.60388	0.5
73.02866	0.6
74.63548	0.3
75.00776	0.9
78.44659	0.2
83.01301	0.3
83.04903	0.3
85.02855	1.1
87.00769	0.6
88.98691	2.0
89.02336	2.1
95.01282	0.4
101.02352	2.4
106.56577	0.3
113.02380	0.7
119.03425	0.5
130.04132	0.5
135.04451	0.8
143.04968	0.6
145.06552	0.5
145.64008	0.3
146.03622	1.4
147.04456	14.1
148.05261	3.9
155.04941	0.7
158.03787	0.4
159.04463	16.1
160.04951	1.4
161.02420	0.5
161.04613	0.4
161.06023	5.2
172.05255	4.8
173.06038	28.3
174.03183	2.5
174.06699	3.5
174.45308	0.3
175.03963	5.2
175.07596	0.5
176.04422	0.6
179.50060	0.3
183.04538	0.5
183.13914	1.0
184.05318	0.3
185.06038	2.4
186.03214	0.4
186.06787	2.0
187.03970	4.0
187.07623	7.7
188.04639	0.4
188.08344	1.3
189.05551	13.2
189.09126	0.4
190.05925	0.9
197.06129	0.6
199.07666	1.0
200.08417	1.0
201.05565	6.5
201.09154	0.8
202.06027	0.4
211.07709	0.4
211.13383	12.4
212.08389	0.4
212.13733	0.8
213.09274	0.3
215.07094	2.9
215.10664	0.5
216.07916	34.9
217.08258	2.9
229.12398	0.4
231.13873	0.4
241.12292	0.5
248.44600	0.3
253.09381	0.8
255.13956	0.4
256.14828	0.4
257.12067	0.5
257.15585	1.0
267.13971	0.3
269.15649	0.5
271.13327	0.5
271.16940	0.5
283.13483	1.0
285.15018	2.8
286.15424	0.5
297.15033	13.5
297.18277	0.6
298.15408	1.2
299.12885	0.7
300.13708	8.5
300.17068	0.6
301.14191	1.8
303.16077	0.4
313.18155	1.5
315.16092	3.9
316.16473	0.5
317.14099	0.4
318.14774	4.5
319.15271	0.4
323.16650	3.6
324.16943	0.6
330.14792	0.3
341.17648	54.0
342.17990	6.7
344.90857	0.3
359.18723	25.6
360.19165	3.2
415.21582	0.5
433.22681	1.6
447.22495	0.4
595.27722	100.0
596.28070	18.6
607.80841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.8
65.00202	0.9
68.99681	0.8
69.85007	3.9
71.01252	1.8
71.47968	0.7
75.00786	0.7
79.01770	0.7
81.03342	1.8
83.01273	4.0
85.02841	2.5
89.02335	1.2
93.03352	4.9
95.01275	1.8
96.95905	1.6
97.02846	2.9
98.19873	1.5
105.69081	0.7
107.01290	4.5
109.02902	1.5
111.04386	1.7
113.02341	1.4
117.03352	1.6
119.04938	28.5
120.05249	1.6
121.02853	3.1
123.04419	1.9
125.02387	4.9
133.02881	1.0
135.04445	1.7
137.02397	3.6
139.03949	5.0
143.04962	4.5
145.02913	5.3
147.04395	2.3
149.02330	3.6
150.03180	1.3
151.00388	4.2
151.03912	1.6
161.02374	1.0
161.06023	1.6
163.00296	2.6
163.03949	3.2
164.01115	0.9
164.04723	0.9
165.01907	5.4
165.05525	0.7
167.03456	8.0
173.02408	0.9
175.03918	1.0
177.01901	3.1
177.05544	0.9
177.30249	0.7
178.02512	0.8
179.03445	2.9
187.04004	3.5
189.01930	0.9
189.05673	0.7
191.03479	3.0
192.76059	0.8
193.01389	8.7
197.04561	2.0
199.07571	2.1
203.03464	0.7
205.01414	4.7
205.05182	0.9
207.02948	2.9
209.02817	1.2
209.04689	3.8
219.02951	2.5
221.04567	2.0
223.02495	1.8
227.07098	2.5
235.02492	11.9
239.05429	1.4
241.08852	1.0
247.02501	1.0
249.03944	1.6
261.04111	1.3
265.03577	4.2
267.06531	1.4
271.06262	4.3
277.03687	0.8
283.06226	1.2
295.04706	1.1
297.07660	0.9
313.07263	12.4
314.07538	1.4
325.07178	7.0
339.08679	0.8
341.10284	0.8
343.08301	5.7
353.06659	0.9
355.08298	75.6
356.08612	7.8
367.08337	2.6
368.08411	0.8
375.52667	0.9
379.08600	0.9
385.09360	60.4
386.09732	4.9
397.09241	3.9
399.11038	1.0
415.10489	17.2
416.10876	2.4
427.10596	1.7
457.11450	7.6
475.12509	35.5
476.13190	4.6
487.12738	4.7
505.13834	9.4
518.21509	0.8
528.38782	0.8
567.17999	0.9
577.15601	4.7
595.16779	100.0
596.17120	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	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.1
70.92039	1.1
78.95795	59.9
81.93009	0.4
94.57341	0.4
96.96864	11.4
150.97978	1.0
152.99527	100.0
153.99867	1.1
171.00604	2.0
210.60681	0.4
223.00136	9.8
224.00453	0.7
237.95506	0.4
241.01210	25.0
242.01646	0.7
246.96837	0.4
258.99908	0.4
259.02277	2.0
259.20825	0.7
277.21783	50.6
278.22089	4.1
315.04932	13.7
316.05118	0.7
333.05927	1.5
593.27466	92.7
594.27783	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.3
61.98758	0.4
64.37688	0.3
69.50594	3.2
75.00743	0.9
77.73145	0.3
78.95794	67.6
80.18005	0.3
80.28899	0.3
96.96864	12.2
98.20661	0.4
121.02879	0.4
150.97963	1.0
152.99524	100.0
153.99837	1.5
171.00592	2.2
223.00122	10.9
224.00424	0.4
241.01218	24.2
242.01674	0.4
259.02295	1.9
259.20874	0.5
277.21783	46.8
278.22113	4.9
285.04227	0.4
315.04916	14.5
316.05350	0.5
333.05914	1.1
593.27448	94.2
594.27759	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69571	0.9
59.01248	2.6
61.98706	2.3
70.36803	1.6
70.37218	3.1
78.95792	71.2
84.84296	0.9
88.26484	0.9
96.95879	1.0
96.96858	16.0
98.19895	1.8
112.57305	0.8
121.02858	2.3
144.35933	0.9
144.45795	0.9
147.25917	0.9
152.99521	59.3
171.00594	1.0
178.11079	0.9
204.32408	0.9
209.11795	3.9
223.00116	2.7
241.01199	30.5
277.21768	47.6
278.22067	5.4
285.04108	2.3
315.04974	9.0
413.21033	6.1
485.34344	1.0
593.27441	100.0
594.27795	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	593.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
57.03331	1.5
59.01264	99.7
60.01603	1.4
60.99191	0.6
61.98716	1.4
69.03333	0.6
69.31416	0.9
69.31824	5.6
71.01270	23.5
72.99203	2.7
73.02833	8.8
74.02366	0.7
74.17302	0.6
75.00778	1.8
77.03862	0.5
83.01273	4.3
83.04914	1.0
85.02840	10.1
87.00781	2.9
89.02334	8.5
93.03373	1.3
95.01285	2.5
96.95938	1.0
97.02863	1.1
99.00770	3.0
101.02342	13.7
106.04137	0.9
109.02883	0.9
111.00827	1.2
113.02361	10.1
115.00220	0.8
119.03444	2.1
119.04969	1.8
121.02875	13.2
121.06532	1.2
124.01597	0.8
125.02389	1.9
129.01843	1.0
131.03406	1.1
132.02092	1.5
133.02846	0.7
134.03601	0.7
136.01591	0.9
137.02350	0.8
139.06233	0.5
143.03526	0.8
147.04500	1.2
149.02325	1.0
149.04530	1.3
149.05989	1.2
150.03178	0.8
151.00374	1.0
151.03949	0.9
156.26132	0.5
157.12224	0.6
159.02960	0.7
159.04419	0.7
160.01604	1.8
161.02371	1.1
161.04544	2.0
163.03951	0.9
165.01883	14.5
165.04233	1.0
165.05510	5.9
166.02425	0.6
179.05589	0.7
187.04013	0.7
187.13406	1.0
193.06860	0.6
209.28285	0.6
211.07610	1.2
225.16084	0.8
226.06299	0.7
226.69577	0.6
227.03459	1.7
249.06171	0.7
255.03043	1.5
256.03668	0.7
259.19327	0.7
263.20175	1.5
267.06787	1.1
268.03827	0.7
269.04578	0.8
270.05579	1.3
270.08624	0.7
271.02515	1.1
279.06653	0.8
281.04541	1.0
283.06216	0.8
284.03397	6.2
285.04086	11.3
285.07330	1.1
285.11310	1.1
293.21295	2.5
296.06989	1.6
297.07693	1.3
298.08560	1.3
299.02170	0.9
299.09323	2.1
299.12601	0.7
300.02747	1.4
300.10062	1.1
301.03183	0.8
311.09335	4.6
311.22278	1.1
312.10043	0.8
313.10971	1.9
325.10611	1.2
326.08020	1.1
326.11502	0.9
329.10388	1.4
329.23462	1.2
332.09006	0.7
341.10419	4.4
342.11032	0.8
343.08362	0.9
344.09244	0.7
344.12769	2.5
353.06598	0.8
353.10471	0.9
355.08200	0.7
356.12689	3.0
357.13495	1.6
359.15134	3.4
369.16779	0.7
371.15012	3.4
371.24454	0.9
373.12958	1.2
385.13174	0.9
389.15781	0.7
427.15842	1.2
431.07684	0.7
431.17310	1.1
431.22861	9.4
432.23215	0.8
446.06674	0.9
447.07504	0.7
451.33112	1.8
455.26718	2.6
461.24005	0.9
473.14755	1.3
473.27896	4.5
475.15887	0.8
485.14752	2.3
488.16965	2.1
491.15732	1.7
491.28751	1.8
500.16895	1.2
503.19839	12.7
504.19693	1.3
506.18256	3.9
512.62042	0.7
515.19373	19.5
516.19592	4.5
518.17871	1.4
519.18494	0.9
521.20428	10.1
522.20941	1.5
533.20410	17.5
533.29016	1.8
534.20941	2.9
545.16779	1.9
549.29327	2.3
560.19092	1.0
563.21454	25.7
564.21875	5.8
567.72791	0.7
575.21429	23.0
575.30536	1.5
576.21851	3.9
593.16516	13.0
593.31915	100.0
594.15277	1.8
594.32397	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	593.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58228	0.3
57.03343	0.5
59.01265	7.8
60.01584	0.3
61.98719	0.4
71.01279	3.4
71.62031	0.3
72.99203	0.8
73.02829	1.0
75.00763	0.8
79.95634	0.3
83.01271	0.6
83.04938	0.3
85.02381	0.4
85.02841	2.0
87.00761	0.9
89.02339	1.8
93.03349	0.5
95.01289	0.4
96.95919	1.4
99.00787	0.3
99.04416	1.8
101.02343	2.2
109.02858	0.5
111.00805	0.3
113.02353	1.6
117.03378	0.3
119.03446	0.7
119.04934	0.3
121.02876	3.0
122.03734	0.3
123.04383	0.4
125.02380	0.4
129.01884	0.4
135.04463	0.6
136.05215	0.7
137.02382	0.9
137.05980	0.3
138.03203	0.6
139.00310	0.7
145.02863	1.2
147.04424	1.6
149.02440	0.3
149.04488	0.7
149.06055	0.3
151.00330	0.6
151.03940	0.4
152.01186	0.3
152.04767	0.4
153.01823	0.6
153.05516	0.5
159.04456	0.3
161.02419	0.4
161.04558	0.6
161.05911	0.4
162.03214	0.3
163.02658	0.5
163.03960	4.7
164.04581	0.3
165.01888	1.3
165.04048	0.4
165.05525	0.7
167.03441	0.5
168.04219	0.3
173.02362	0.4
173.06053	0.4
174.03177	2.3
175.03970	13.3
176.04738	3.0
177.05498	1.2
179.03435	1.1
179.05586	0.4
179.07019	0.4
180.04239	11.4
181.04739	0.9
186.09210	0.5
187.04059	0.3
188.04787	2.7
189.05527	6.7
189.12842	0.6
190.06325	19.7
191.03525	0.4
191.07101	11.9
192.04277	0.6
192.07478	0.6
193.05038	10.2
194.05832	6.5
195.06375	0.4
203.07130	2.3
205.08694	18.2
206.09016	1.3
207.06624	6.0
207.13857	1.3
208.07401	12.9
208.14076	0.3
209.04567	0.3
209.07817	0.6
222.09001	0.9
223.09819	1.2
227.03499	1.1
229.09889	0.8
241.09979	0.6
249.05954	0.4
251.12926	3.4
252.13277	0.4
255.02956	1.9
269.04553	0.9
269.14005	0.6
271.02496	0.7
283.11041	0.7
284.03320	4.7
285.04077	4.6
286.04486	0.3
299.02176	0.5
299.05569	0.5
300.02753	0.3
314.08170	0.3
314.11707	0.5
324.81668	0.3
329.10080	0.4
344.12625	3.8
345.13190	0.4
359.15073	100.0
360.15439	12.3
375.01807	0.3
389.16138	2.8
413.18143	1.0
416.35059	0.3
431.19299	3.6
475.16241	0.5
478.53918	0.3
507.20004	0.3
533.20679	0.4
593.15161	5.3
593.24194	2.0
593.33057	2.6
594.14813	0.9
594.23853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62796	0.3
56.06506	0.3
59.01263	3.8
66.91776	0.4
69.57489	1.6
69.57910	0.9
71.01268	1.6
71.08498	0.3
72.99199	0.4
73.02829	0.6
74.59148	0.3
77.03847	0.4
81.03335	0.4
83.01289	0.4
85.02851	1.6
89.02352	0.4
103.01809	0.3
109.02850	1.7
113.02346	0.5
117.03349	0.6
119.04936	0.7
121.02878	0.6
123.04424	0.3
125.02340	1.4
129.01843	0.4
131.01318	1.1
131.84988	0.3
132.02077	0.5
133.01863	0.8
133.02870	14.3
134.03229	0.5
135.04451	1.1
145.02849	0.5
147.04488	0.9
149.02408	1.7
151.00359	0.4
151.03973	0.5
159.04477	0.4
161.02373	1.6
163.00323	1.8
163.03934	2.5
165.01961	1.5
167.04715	0.3
171.04459	0.5
173.02341	2.1
175.00325	5.7
175.03920	2.5
177.01872	0.9
179.03363	0.5
185.06058	0.4
189.05557	0.5
191.01949	0.7
191.03493	2.0
193.01395	1.5
193.05095	0.3
197.05971	0.4
198.03200	0.4
199.03964	1.0
201.01883	1.5
203.03384	0.6
205.03490	0.7
209.06038	0.6
211.04108	0.6
212.04626	0.5
213.05568	1.0
215.03462	0.7
223.04434	0.3
224.04756	0.6
225.05550	0.8
227.03476	0.5
229.01407	0.5
229.04971	0.4
235.02007	0.4
237.05562	1.4
239.03516	0.7
239.07120	0.4
240.04243	0.8
241.05109	1.0
253.05112	0.9
255.03317	0.4
255.06566	0.7
257.04541	0.6
259.06091	0.5
263.03436	0.5
265.05087	1.9
266.05396	0.4
267.03012	2.1
267.06473	0.6
268.03629	0.5
269.04608	1.5
270.05389	0.5
281.04547	1.3
282.05365	0.6
283.03033	0.5
283.06165	3.4
284.03357	7.6
284.06519	0.6
285.04102	9.1
286.04337	0.7
291.03055	0.8
297.04099	19.7
298.04843	15.6
299.05624	14.8
300.06009	1.1
309.04108	76.3
310.04434	7.2
311.05661	10.9
312.06140	1.3
323.05884	0.5
325.03629	1.0
325.07153	0.5
326.04221	0.5
327.05161	100.0
328.05515	10.1
339.05197	5.3
340.05334	0.7
341.06674	2.1
351.05124	1.0
353.06836	1.2
353.66840	0.3
357.06223	49.3
358.06491	4.7
367.25656	0.4
369.06189	3.7
383.07892	1.6
384.08328	0.4
387.10999	0.8
393.06137	1.6
411.07306	1.1
413.08838	0.5
429.08347	26.6
430.08707	3.5
431.09875	8.3
431.14349	0.3
432.10196	0.9
449.11105	1.9
473.10995	31.3
474.11429	4.9
503.12177	2.3
504.12259	0.4
533.26019	0.4
593.15210	71.0
594.15527	14.7
594.25079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1525
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01267	2.7
61.64035	0.5
61.98499	0.4
63.02290	1.2
65.00216	1.8
69.28287	4.8
83.01274	0.7
85.02864	0.7
89.02362	0.6
95.01293	0.7
98.20531	0.7
107.01323	2.0
113.02363	0.7
117.03409	0.5
121.02863	0.4
125.02340	0.9
129.39015	0.4
133.02859	2.3
136.98723	0.7
142.64920	0.5
149.02365	0.6
149.99503	0.4
151.00307	3.7
158.03764	0.5
163.00302	0.9
165.01891	3.9
169.06531	0.5
171.04460	0.5
175.03976	1.2
177.01878	1.3
181.03178	0.4
183.04420	0.4
185.06073	1.0
187.03990	0.6
189.05522	0.5
192.00667	0.7
193.01506	0.5
197.06052	0.4
199.03975	1.6
200.04770	0.5
201.02005	0.6
211.03979	0.9
213.05527	1.4
217.05074	0.9
227.03403	2.2
229.05200	0.6
239.03548	1.2
240.04289	1.0
241.05063	1.5
251.12927	1.0
255.03006	3.3
256.03711	3.9
257.04547	4.0
267.03055	0.8
268.03625	0.5
269.04602	1.3
283.02597	2.5
284.00040	1.1
284.03323	45.5
285.04092	100.0
286.04483	8.4
309.04361	0.6
327.05225	1.7
359.14847	1.0
429.08319	2.5
447.09158	2.6
473.12451	0.6
522.14331	0.4
593.15228	81.1
594.15509	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	593.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65221	0.3
53.93115	0.3
59.01276	1.8
63.02280	0.7
65.00222	0.6
69.67917	2.1
71.83020	0.3
74.94431	0.3
79.12952	0.3
83.01279	0.5
85.02822	0.7
87.00766	1.4
88.00264	0.5
89.02354	0.6
91.01752	0.4
93.03363	1.0
101.02372	0.4
103.09515	0.3
107.01295	1.6
109.02856	0.7
113.02346	0.5
117.03336	0.5
119.63002	0.3
125.02366	0.3
132.02077	0.7
135.00804	1.2
143.04991	0.6
151.00340	2.4
153.01778	0.3
157.06506	0.5
159.04480	0.9
163.00281	2.1
164.01054	0.4
165.01945	0.4
167.05013	0.7
169.06512	0.3
171.04463	0.8
173.06110	0.4
179.05476	0.3
179.35199	0.3
183.04451	0.8
185.06035	1.7
187.03941	2.8
189.05548	1.0
195.04488	0.6
197.06055	1.0
199.04007	1.0
200.04710	0.5
201.05516	0.4
207.13889	0.3
211.04037	2.7
212.04559	0.5
213.05573	2.1
227.03506	28.0
228.03905	2.4
229.05064	9.2
230.05453	0.4
239.03586	1.5
240.04254	0.7
241.04965	1.5
251.13094	0.5
255.03032	48.1
256.03604	6.1
257.04590	5.7
258.05020	0.4
267.03046	1.0
269.04504	0.3
269.14001	1.2
283.02518	1.0
284.03323	58.2
285.04089	79.5
286.04468	6.7
309.04007	0.4
327.05185	1.1
397.33817	0.3
413.18008	0.4
429.08362	0.7
431.19241	0.7
520.29419	0.3
544.04419	0.3
593.15247	100.0
594.15588	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	593.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21759	0.2
54.78944	0.2
59.01265	1.1
63.02279	1.0
65.00220	0.8
69.65747	1.2
83.01252	0.9
85.02859	0.2
93.03409	0.4
105.03378	0.3
107.01281	2.1
109.02858	0.5
111.52266	0.2
117.03413	0.2
119.04945	0.2
121.02857	0.2
125.02377	0.3
132.02109	0.8
133.02878	2.1
134.03604	0.4
135.00815	0.6
136.72990	0.2
143.04948	0.2
148.36728	0.2
149.02394	0.7
151.00323	4.8
152.00998	0.2
159.04457	0.4
163.00298	0.8
165.01907	0.3
169.01385	0.3
169.06570	0.2
171.04460	0.4
173.06163	0.2
174.03212	0.2
175.03989	1.2
178.99825	0.2
183.04471	0.7
185.06044	0.8
187.03941	0.9
188.04836	0.2
189.05551	0.3
195.04463	0.3
197.06000	0.3
199.03989	1.7
200.04654	0.4
201.01990	0.5
211.03975	1.5
212.04651	0.4
213.05547	0.9
215.03465	0.2
217.05092	0.5
227.03502	21.3
228.03911	1.8
229.05048	2.5
230.05463	0.2
239.03568	1.2
240.04311	0.2
241.05055	0.8
243.03076	0.4
255.03024	38.1
256.03610	7.2
257.04517	2.3
267.02966	0.4
283.02649	0.8
284.03320	100.0
285.04056	83.3
286.04462	6.5
299.05627	0.3
309.04092	0.4
327.05167	1.3
338.52521	0.2
357.06290	0.3
429.08282	0.5
447.09366	1.5
448.09619	0.3
503.77374	0.2
593.15228	83.6
594.15582	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75243	0.7
58.00453	0.6
58.22088	0.7
59.01279	4.7
69.58393	1.9
69.58818	2.9
71.01272	1.0
72.79290	0.6
72.99188	0.7
75.00757	1.0
76.19157	0.5
79.40724	0.5
85.02832	4.0
90.92426	0.7
101.02370	1.1
104.55602	0.6
109.02851	1.4
117.03364	2.5
121.02858	4.0
129.01848	0.7
133.02893	7.3
134.03757	1.2
135.00710	0.6
135.04440	1.0
145.02702	0.7
147.04419	1.0
149.02373	2.3
151.84833	0.6
159.04419	0.7
161.02377	2.1
162.03050	0.7
163.00323	2.9
163.03952	1.4
165.01865	1.7
173.02382	1.3
174.03197	0.6
175.00317	2.5
175.03949	2.0
177.01880	1.5
191.01840	1.4
191.03403	1.5
199.04045	0.9
201.01796	1.4
205.03403	1.2
209.02791	0.9
209.04543	1.8
215.03493	0.8
220.72003	0.7
225.05510	1.1
227.03482	0.7
237.05638	1.1
241.04839	1.4
251.07018	0.6
253.05128	2.2
255.02914	0.8
269.04611	2.7
270.05145	1.1
281.04578	1.0
282.05331	1.7
283.06171	5.0
284.03339	4.0
284.06177	0.8
285.04044	8.0
297.04190	14.5
297.07684	3.0
298.04883	42.8
299.05481	9.5
307.06110	0.7
309.04111	26.5
309.07697	1.4
310.04532	3.7
311.05737	11.4
312.06174	1.4
313.10709	0.7
323.05533	1.0
325.03668	2.1
325.07281	0.9
326.04276	2.3
327.05142	27.4
328.05637	2.7
330.03683	3.1
337.03406	0.7
337.07230	0.7
338.04291	1.9
339.05093	7.8
341.06519	1.0
351.05164	2.8
353.02887	1.4
353.06757	4.4
357.06223	13.8
358.06589	1.4
365.06622	0.8
369.06287	2.6
371.07874	0.8
383.07675	4.7
387.10867	1.8
411.07028	0.8
429.08347	12.8
430.08655	1.4
431.09763	7.5
432.10278	1.6
447.09302	1.0
473.04214	1.4
473.11008	26.3
474.11462	4.0
503.11841	2.3
575.14130	1.0
593.15222	100.0
594.15570	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	593.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.2
59.01264	9.7
65.00213	1.2
71.01260	3.3
78.69037	0.7
79.01791	0.7
80.31457	0.6
83.01271	1.1
85.02841	7.8
89.02319	1.2
93.03347	2.2
95.01277	1.1
101.02320	0.8
103.01814	0.8
106.05959	0.6
107.01287	0.9
108.02116	0.7
109.02853	2.1
110.00051	0.6
117.03377	5.8
119.04967	1.4
121.02854	1.7
125.02390	0.9
129.01868	1.8
131.01314	1.2
133.02870	4.4
134.03625	0.7
135.00758	0.9
135.04501	0.7
136.01593	1.2
136.98715	1.0
137.02330	1.5
145.02910	1.2
147.04446	1.0
149.02353	1.4
150.03165	0.6
151.03976	1.1
151.09711	0.6
159.04446	0.7
161.02374	3.7
163.00337	2.7
163.03949	1.1
164.01080	4.8
165.01813	2.5
171.04463	1.1
173.02344	1.2
174.03151	0.8
175.00307	5.1
175.03957	1.1
177.01900	3.3
179.03461	1.3
187.03940	1.5
188.01065	0.9
188.04712	0.7
189.01927	6.9
190.99797	1.2
191.01929	3.5
191.03494	1.3
193.01355	0.9
197.05910	0.8
200.04773	0.7
201.01814	0.7
205.01488	0.8
206.02150	1.7
207.02963	2.5
209.02965	1.9
209.06062	1.3
211.04018	0.8
215.03459	0.9
217.47441	0.6
219.03070	0.9
225.05553	1.0
227.03535	0.9
230.49059	0.8
231.02983	0.9
233.00966	1.4
236.04858	0.7
237.05560	1.9
239.03461	1.1
240.04314	0.7
241.05081	2.5
243.66409	0.6
251.03696	0.8
253.05177	4.3
254.05801	0.9
255.03033	1.3
255.06789	1.2
256.03922	0.7
257.04608	1.2
265.05142	3.2
266.05670	0.6
267.03152	1.0
267.06711	1.1
269.04562	3.7
270.05222	0.9
279.03375	0.7
279.06537	0.9
281.04636	8.3
282.05307	2.1
283.02676	1.0
283.06152	2.9
284.03308	12.4
284.06219	1.2
285.04083	8.3
292.04144	0.6
293.04575	1.4
295.06256	1.0
297.04126	9.5
297.07355	0.9
298.04880	15.4
299.05518	4.1
308.03204	2.6
309.04099	45.9
310.04416	5.3
311.05618	4.1
313.03607	0.8
313.10953	1.2
321.04117	0.7
323.05511	0.8
326.04315	4.9
327.05151	20.9
327.09088	1.1
328.05380	1.5
330.03732	1.4
339.05048	6.3
351.05008	4.3
352.05746	1.0
353.03152	0.8
357.06287	7.8
357.10327	0.9
358.06595	0.9
369.06064	2.0
381.06149	0.8
383.07782	2.4
387.10797	0.9
393.06265	1.0
411.07178	0.9
429.08255	15.0
430.08704	1.2
447.09561	1.0
473.10983	29.4
474.11301	4.4
575.13959	1.2
593.15234	100.0
594.15540	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	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05016	0.5
54.94648	0.5
67.86009	0.5
69.24156	0.4
69.43994	4.5
80.30154	0.5
93.03360	0.9
109.85301	0.5
117.03376	3.4
119.04928	1.0
131.04910	0.6
135.04439	2.0
149.02335	0.9
159.04451	0.5
161.02336	1.2
163.04034	0.7
175.03899	0.7
177.05489	1.0
189.01930	0.5
203.03416	0.5
221.04620	0.5
253.08638	0.5
267.06805	0.5
267.98935	0.6
268.07455	0.8
281.04486	0.6
282.05362	1.5
283.06195	2.0
295.06070	3.0
295.75668	0.6
296.06818	1.6
297.07727	12.9
298.08109	0.6
307.06241	0.8
309.07684	1.5
311.05765	1.5
323.05634	1.7
324.06229	0.7
325.07181	4.3
326.07892	0.5
328.05945	1.6
335.05804	1.2
337.07272	1.5
353.06717	21.6
354.07098	2.3
358.02228	0.5
365.06659	1.9
383.07831	11.3
384.08127	1.6
395.07663	1.0
413.08969	1.7
415.72162	0.6
455.09946	0.7
473.11023	10.5
474.11240	1.5
503.12378	2.5
575.14056	0.7
593.15216	100.0
594.15546	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	591.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62757	0.3
55.01769	1.7
55.76214	0.4
57.03341	2.7
58.00475	1.1
59.01264	100.0
60.01596	1.2
61.98722	1.4
69.03349	0.7
69.64542	2.0
69.64963	0.8
71.01270	20.3
71.04913	0.9
72.99193	0.6
73.02834	5.2
83.01266	3.0
84.95030	0.6
85.02844	9.4
86.02435	0.4
86.03139	0.4
87.00787	1.4
89.02338	6.1
95.01302	1.6
96.95918	0.6
97.02842	0.9
98.19837	0.9
99.00771	2.5
101.02348	13.1
101.03024	0.7
111.00824	0.7
113.02353	9.8
119.03442	1.4
125.02385	1.2
129.01790	0.5
131.03484	0.9
143.03459	2.2
143.10689	2.3
149.04501	2.4
159.02969	1.7
161.04500	8.3
179.05562	0.8
191.05507	0.4
211.17131	0.7
234.28716	0.4
237.18710	0.4
262.05991	0.4
297.24231	0.4
307.03088	0.4
313.27597	1.3
325.27765	0.9
343.28601	6.2
344.29153	0.4
345.09161	0.4
367.28021	0.5
385.29861	0.7
399.23947	6.3
400.24310	0.5
469.31815	0.6
487.32886	44.9
488.33228	6.2
505.33917	12.7
506.34396	1.7
518.16028	0.4
531.20068	0.8
531.28180	13.0
532.28412	1.9
547.35040	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	591.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99828	0.5
55.01766	0.7
55.96086	0.5
57.03344	1.2
58.00475	1.0
59.01262	100.0
60.01591	0.9
61.98719	0.9
69.03347	0.5
70.53132	2.1
71.01269	12.8
72.99232	0.7
73.02840	4.4
83.01283	2.4
85.02848	5.1
87.00790	0.9
89.02328	4.8
95.01291	1.5
99.00790	2.2
101.02347	9.4
113.02357	8.6
119.03408	1.4
119.66346	0.5
125.02375	0.5
129.17738	0.5
130.32747	0.5
143.03468	1.4
148.52014	0.5
149.04565	0.7
149.06039	1.7
152.02771	0.6
159.03036	0.7
161.04475	7.5
197.15436	0.6
213.18573	2.4
341.27109	0.6
343.28546	4.0
344.28986	0.7
367.28690	0.9
375.24286	0.7
409.29437	0.7
451.88370	0.5
487.32867	24.1
488.33261	4.4
505.33987	7.1
506.34628	0.7
547.35321	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.2
57.03325	2.5
59.01264	100.0
61.98717	1.9
66.13962	1.5
70.87432	3.8
71.00685	1.3
71.01269	21.4
72.99171	2.0
73.02846	6.7
75.36362	1.3
79.58392	1.3
83.01295	3.0
85.02847	7.9
87.00747	1.9
89.02333	6.4
95.01254	2.2
99.00787	2.8
101.02338	10.0
113.02364	10.4
119.03405	1.9
131.03426	2.3
149.04480	3.7
149.06029	3.9
159.02921	1.4
161.04546	7.2
170.17659	1.4
175.06200	1.6
180.45509	1.8
191.05586	1.9
260.90604	1.4
325.27802	2.2
343.28625	6.4
348.48688	1.4
459.16931	1.5
478.96570	1.5
487.32904	35.2
488.33148	7.0
505.33975	9.9
507.34634	1.8
531.28247	4.4
547.34637	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	4.0
57.03349	5.0
58.00482	3.2
59.01265	95.3
59.21195	1.1
60.01603	1.4
61.98716	1.5
68.92207	1.0
69.03344	1.9
70.29549	3.7
71.01271	94.4
72.01608	1.1
72.99203	5.0
73.02842	19.8
75.00765	2.7
79.19695	1.0
81.03364	1.1
83.01295	8.3
85.02356	2.2
85.02847	31.4
85.99982	1.2
87.00774	4.8
87.04433	1.2
89.02336	61.8
95.01321	5.1
96.95911	1.0
97.02840	2.7
99.00790	9.3
101.02349	57.8
102.02690	1.2
109.67203	1.1
113.02355	32.9
119.03399	12.4
125.02355	7.8
125.66476	0.9
129.01825	1.3
131.03435	12.3
143.03432	5.6
149.04498	26.6
149.05887	1.2
159.02939	2.5
159.06560	4.5
161.04509	21.9
162.04869	1.4
179.05536	5.7
189.01913	1.8
191.05605	4.5
193.08698	1.1
213.08521	1.0
224.86708	1.1
227.38615	1.0
233.06633	2.2
249.09753	1.9
271.88452	1.0
293.08862	4.5
299.88901	1.1
303.06332	1.1
304.25153	0.9
381.14182	1.6
398.35257	1.2
399.23959	98.0
400.24280	8.4
487.32782	9.0
505.34064	3.1
531.28247	100.0
532.28705	15.1
548.96576	1.1
591.25360	2.1
591.34052	5.4
592.34821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.0
57.03339	2.8
58.00482	1.7
59.01263	100.0
60.01602	1.1
61.98709	5.7
69.03358	0.9
71.01266	47.6
71.39794	1.2
72.01607	1.0
72.99201	2.1
73.02830	9.8
75.00768	1.1
82.95302	0.8
83.01275	5.8
83.02387	0.7
84.00807	0.8
84.01944	1.1
84.95013	4.5
85.00362	0.8
85.02840	17.0
86.02378	2.0
87.00778	2.5
88.98687	0.7
89.02334	28.7
90.02705	0.7
95.01272	3.3
96.95919	2.6
97.02862	1.8
99.00773	4.6
101.02345	27.6
102.02731	0.7
111.00820	1.2
113.02351	19.1
114.02676	0.6
119.03411	6.6
119.30946	0.6
125.02389	2.3
129.01845	0.7
129.19658	0.6
131.03421	6.1
143.03416	4.1
143.10704	0.8
149.04492	11.1
157.41429	0.6
159.02940	1.8
161.04491	12.0
162.04941	0.7
163.03952	0.9
175.29759	0.5
179.05550	5.4
191.05583	2.4
233.06787	0.8
237.18724	0.8
293.08929	1.7
343.28735	2.6
369.23096	1.0
399.23959	16.4
400.24371	1.8
458.06973	0.6
464.18259	0.6
487.32855	27.5
488.33081	3.2
505.33917	9.6
506.34827	1.6
531.28156	50.2
532.28534	7.5
547.35260	3.6
591.27863	1.8
592.38141	0.9
609.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89410	14.1
51.37123	11.8
60.25164	12.7
69.65717	100.0
98.32619	13.2
100.31864	13.1
188.48070	12.9
254.15657	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	591.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03343	2.2
58.00485	0.5
59.01267	100.0
61.98717	3.9
66.93222	0.5
71.01274	20.1
71.57168	0.5
72.99221	1.2
73.02843	4.6
75.00766	0.6
79.46377	0.4
82.95314	0.9
83.01282	3.3
83.02393	0.5
85.02843	10.0
87.00797	1.2
88.98703	1.8
89.02343	4.8
93.07024	2.1
95.01311	1.8
96.95942	0.8
97.02843	1.2
99.00811	2.4
101.02344	11.6
107.67489	0.5
111.00786	0.6
113.02357	11.1
119.03442	0.7
125.02372	0.9
130.03992	0.6
131.03493	0.6
135.04469	0.7
143.03465	1.9
149.04515	0.9
159.02919	0.9
161.04506	9.2
197.15517	1.1
213.18562	2.6
343.28671	1.2
357.22726	3.0
369.22961	1.0
375.23959	4.9
399.24234	0.7
469.31720	0.7
487.32901	50.7
488.33264	8.1
505.33978	19.4
506.34421	3.0
531.28058	1.8
547.35126	3.1
548.35333	0.9
579.22662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35138	1.2
53.24312	1.2
55.01775	3.7
57.03333	4.4
58.00491	2.9
59.01265	89.5
61.41985	1.2
61.98721	6.4
69.03350	2.1
71.01270	100.0
71.62987	1.9
72.01604	1.5
72.99200	3.3
73.02833	24.0
75.00755	2.6
81.03339	1.6
83.01288	9.3
83.04913	1.7
85.02844	32.4
85.99998	1.9
87.00773	14.2
89.02336	78.5
95.01290	5.7
96.95943	2.4
97.02857	6.0
99.00785	11.6
101.02344	66.1
103.64064	1.2
111.00777	2.6
112.83014	1.3
113.02354	32.1
114.02639	1.3
119.03396	12.2
125.02364	9.0
131.03427	36.2
135.13783	1.2
143.03439	7.8
149.04492	57.4
150.04857	1.6
159.02943	4.6
161.04503	30.1
162.04907	1.5
179.05580	6.0
191.05579	13.1
219.17574	3.5
221.06653	34.6
222.07039	1.5
233.06680	3.0
239.31442	1.2
251.07648	1.7
255.02942	1.3
287.98853	1.1
293.08838	7.6
298.51196	1.2
353.10971	13.9
380.45547	1.3
399.23959	50.3
400.24243	5.3
487.33145	2.3
531.20013	2.3
531.28210	49.0
532.28522	9.2
537.88782	1.2
547.34717	1.6
591.33002	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	591.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06519	0.9
55.01772	5.1
57.03336	4.1
58.00484	3.1
59.01265	100.0
60.01604	1.1
61.98717	3.6
68.17107	1.0
69.03351	2.2
69.37231	0.8
71.01270	91.1
71.52679	1.9
72.01604	1.8
72.99197	3.3
73.02834	19.6
75.00732	0.9
81.03378	1.0
83.01269	9.0
85.02838	31.8
87.00793	4.4
87.04405	1.7
89.02340	50.1
90.02684	1.4
95.01275	7.4
96.95886	1.6
97.02865	2.7
99.00780	11.3
101.02346	57.8
101.05984	1.4
111.00764	1.2
113.02356	32.2
119.03421	9.7
125.02365	6.6
129.01895	1.7
131.03412	10.7
132.07498	0.9
143.03452	6.4
149.04483	20.0
159.02979	4.4
159.06598	6.7
161.04489	24.4
162.04854	1.3
179.05571	6.0
191.05605	5.9
233.06650	1.4
249.09845	5.7
293.08862	2.6
343.28625	1.1
369.22888	1.6
381.14203	4.2
399.23941	83.4
400.24280	9.1
487.32910	6.1
505.33997	1.5
531.28217	87.5
532.28540	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	591.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	5.4
57.03337	7.3
59.01264	80.2
61.98713	16.7
69.03347	2.3
69.28416	1.9
69.28823	15.3
71.01270	71.5
72.99189	5.2
73.02840	23.5
73.35698	1.4
75.00758	5.1
76.33805	1.3
83.01270	13.4
84.08330	1.3
85.02840	35.7
87.00765	6.3
88.98699	6.5
89.02336	16.4
95.01280	5.9
95.04906	1.6
96.95911	10.0
97.02828	3.2
99.00778	10.6
101.02341	55.6
107.04910	1.8
107.85728	1.4
113.02355	30.5
116.92783	3.0
119.03406	5.6
122.02402	5.8
125.02325	3.6
129.01881	1.7
131.03427	4.2
135.04411	3.6
136.26753	1.7
139.02022	1.3
139.68327	1.4
143.03415	5.8
149.04497	4.3
149.06004	3.5
154.75023	1.7
159.02922	3.9
160.03745	2.3
161.04495	31.0
175.11258	1.5
179.05586	3.2
199.94974	1.4
205.12315	1.8
207.13887	2.7
223.13457	8.7
227.16617	1.8
231.14023	1.9
249.15036	3.4
267.15836	1.7
275.16022	1.5
283.05884	1.7
327.21600	1.5
369.19104	24.5
369.23041	4.1
399.23798	5.5
423.77734	1.8
487.32712	4.8
505.33807	2.8
531.24323	100.0
532.24847	18.3
591.30157	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	591.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87888	2.1
55.44050	1.8
58.00468	5.7
59.01265	96.3
65.27778	1.7
69.99635	4.3
70.00042	6.2
71.01269	71.3
72.99187	7.3
73.02839	3.9
75.00757	2.6
79.05377	2.2
81.06964	2.0
83.01265	5.0
85.02838	20.6
87.00773	4.2
89.02338	58.2
91.00704	1.8
95.01252	4.2
96.95927	3.0
98.20483	2.8
99.00798	2.8
99.04441	9.4
101.02354	39.5
107.04937	2.7
113.01657	2.3
113.02363	33.3
119.03412	25.9
120.05685	1.7
125.02342	2.2
131.03410	4.3
143.03426	6.7
147.24541	2.5
149.04475	1.9
151.03830	1.9
161.04541	12.1
161.09639	2.8
161.13298	25.9
174.01605	2.9
179.05574	22.8
185.13261	3.9
187.11249	55.8
188.11531	2.5
205.12309	61.8
206.12651	4.7
225.09169	13.4
229.12363	16.3
231.10315	5.7
247.13425	3.6
249.11348	91.4
250.11681	8.3
273.11731	2.7
291.12485	4.7
315.03308	2.1
351.14417	4.5
380.25146	1.9
385.18787	12.7
411.16696	35.4
412.16907	6.2
429.17703	100.0
430.18057	12.1
590.71191	2.1
591.23083	21.7
592.23340	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	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90515	4.1
59.01257	32.6
61.40836	3.9
61.98712	39.3
69.43136	41.1
71.01272	12.5
72.17194	4.5
73.02832	4.4
77.28072	4.4
89.02317	6.2
96.95937	9.3
101.02366	8.1
121.10149	4.1
171.10172	7.1
195.13927	5.4
201.50975	4.0
218.65837	4.2
253.09357	36.4
254.09915	4.7
275.20200	11.5
293.21313	100.0
294.21716	10.5
406.01559	4.5
447.13824	4.7
492.22870	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.46877	1.0
68.61114	0.8
69.43383	0.9
71.59662	1.7
78.61160	0.8
97.33852	0.8
116.92794	1.7
134.62451	0.8
155.82394	1.1
183.49126	0.8
185.97411	0.7
269.13770	0.9
271.58200	0.8
277.21756	9.0
372.74374	0.8
466.65817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05605	0.4
55.01770	1.6
57.03333	1.9
58.00479	4.8
59.01265	100.0
60.01605	1.1
61.98715	1.0
62.13993	0.4
70.02859	1.4
71.01271	70.0
71.62366	0.6
72.01610	1.0
72.99198	7.0
73.02840	1.9
81.03370	0.6
83.01270	3.1
83.04922	2.1
84.02062	0.7
84.04453	0.5
85.02843	12.0
85.06483	1.9
87.00777	3.1
88.03933	2.0
89.02338	72.5
90.02685	1.2
93.03366	0.4
95.01292	4.5
95.04929	0.8
97.06502	0.4
98.02396	1.9
99.00771	0.5
101.02345	46.5
102.02708	1.1
107.04937	0.4
108.08100	4.3
109.06480	0.7
113.02354	26.5
113.06004	0.5
114.02709	0.8
115.07579	1.3
119.03416	35.5
120.03781	1.0
120.08133	0.5
124.07639	0.7
125.02390	0.6
126.09171	9.1
131.03421	3.8
138.09161	2.9
143.03439	5.6
149.04482	2.4
154.08653	0.7
156.10249	1.7
161.04506	5.4
166.08687	2.2
179.05574	17.1
180.05910	0.7
184.09770	1.6
223.20728	0.7
225.22238	15.7
226.22589	1.8
253.21739	3.3
255.23347	0.7
270.24454	1.6
271.22824	7.1
272.23227	0.9
294.24512	0.7
296.26025	4.8
297.26236	0.4
312.25555	1.5
318.32678	0.5
324.25488	0.9
325.26181	0.4
377.55789	0.4
380.31732	2.4
392.31735	5.0
410.32840	47.7
411.33170	6.1
428.33893	19.0
428.39792	0.8
429.34128	2.4
440.83981	0.4
590.39215	92.9
591.16718	4.3
591.39569	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	589.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89408	0.4
55.01749	0.5
58.00203	0.4
59.01264	28.8
61.98713	0.5
71.01272	5.8
71.04910	2.8
71.30990	1.0
71.31335	0.5
73.02805	0.4
82.48626	0.4
83.01267	0.6
85.02852	1.4
87.00777	0.6
87.04397	0.6
89.02352	5.2
95.01289	0.5
96.95892	0.7
99.00813	0.5
100.20158	0.4
101.02353	5.9
113.02379	2.1
119.03397	1.2
125.02347	0.5
135.75259	0.4
143.03488	0.6
161.04503	2.4
161.05743	0.4
179.05527	1.1
185.62686	0.5
209.15451	1.1
219.17621	0.5
221.15457	0.9
223.16965	2.9
231.21104	1.3
235.08224	1.5
235.17059	19.6
236.17345	1.2
253.09317	29.2
254.09610	1.2
275.20200	26.3
276.20621	2.0
293.21289	100.0
294.21591	10.6
523.26563	0.5
529.29968	0.7
549.40411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
59.01266	100.0
61.98711	3.6
71.01273	15.4
71.04939	0.8
71.60185	1.2
72.99194	0.9
73.02812	4.9
82.95299	1.1
83.01261	2.3
85.02844	7.4
87.00747	1.8
87.04432	0.8
89.02342	4.7
95.01292	0.9
95.73038	0.9
96.95894	1.7
97.06488	1.5
99.00781	2.0
100.06587	1.1
101.02344	9.3
113.02360	8.7
119.03381	1.8
125.02321	1.0
143.03488	1.0
149.04465	1.0
161.04518	6.8
178.66020	0.9
179.05614	1.2
197.15379	1.0
213.18596	1.4
311.25861	1.0
325.27374	1.3
336.71274	0.9
341.26993	6.8
344.22968	0.9
357.76163	0.9
358.50699	0.9
439.51639	0.8
485.31317	21.2
486.31625	3.1
503.32288	6.5
529.26385	1.1
545.24213	0.9
589.32312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27665	1.4
57.03330	1.3
59.01266	40.1
60.67670	1.2
61.98724	9.2
71.01260	12.4
71.04919	2.8
71.60963	1.8
72.07063	1.4
75.00757	2.4
78.95805	2.6
85.02861	4.7
87.00767	2.1
89.02336	9.3
96.95918	3.9
101.02345	9.2
113.02338	4.8
114.13654	1.4
119.03436	2.0
130.87964	1.5
135.66425	1.3
161.04440	2.3
231.21255	3.3
235.08215	2.8
235.17055	53.0
236.17450	5.1
253.09331	43.6
254.09630	3.2
275.17108	2.5
275.20209	81.6
276.20694	8.5
293.21295	100.0
294.21631	12.8
322.58401	1.5
425.46564	1.3
529.29907	2.6
536.63513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
59.01266	100.0
61.98719	1.4
69.34301	9.5
71.01274	13.3
71.04925	1.5
73.02847	3.7
75.00764	1.0
83.01274	2.0
85.02834	7.0
87.00782	1.5
89.02345	3.4
92.99711	0.9
95.01274	1.1
96.95932	1.8
99.00806	1.7
101.02350	10.0
109.90429	0.9
113.02348	7.8
125.02441	1.0
156.53189	1.0
161.04488	7.6
185.15468	1.0
211.59335	1.1
212.68669	1.2
247.25906	1.0
268.14017	1.0
293.24652	1.0
311.25818	1.5
341.26859	8.4
342.27341	1.8
485.31360	30.9
486.31647	4.1
503.32297	8.5
504.32492	2.8
533.64441	1.0
586.57996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53655	0.9
53.14373	0.9
55.01769	1.7
57.03329	2.3
58.00466	1.4
59.01268	100.0
60.99471	0.9
61.98715	8.7
69.03335	1.0
71.01276	30.6
71.62499	1.2
72.99194	2.9
73.02843	8.0
73.29034	1.0
75.00741	1.3
82.95308	24.1
83.01286	4.7
83.02406	14.5
84.00794	2.4
84.01912	2.4
85.02845	13.5
87.00776	2.7
89.02336	13.4
95.01289	1.6
96.95930	2.9
99.00789	4.0
101.02347	18.8
105.48111	1.1
109.02835	1.3
111.08099	1.1
113.02374	14.8
119.03474	1.2
119.04921	1.0
121.02874	1.7
125.02328	2.7
131.03442	2.5
137.02396	1.1
143.03418	2.8
149.04475	3.9
149.06050	0.9
149.99481	1.0
151.86249	1.1
159.02885	1.5
161.04503	7.7
163.03978	1.4
167.93230	1.1
191.05608	1.2
211.89304	1.0
293.08783	1.2
321.17139	8.3
397.22400	9.5
427.21301	12.3
428.21362	1.5
467.30072	3.8
485.31284	23.3
486.31689	3.2
503.32309	15.4
504.32626	2.1
529.26215	11.5
530.27014	2.1
545.33350	2.1
555.49890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
61.98696	0.4
71.56503	0.6
72.99209	2.0
75.00763	100.0
76.01107	1.2
78.95796	0.3
118.91127	0.3
182.50862	0.3
191.20625	0.4
264.00735	0.3
268.97397	0.3
277.21826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72488	0.1
55.33257	0.1
59.01267	0.2
61.98717	0.3
63.33769	0.1
70.31287	0.6
72.99196	2.0
74.74664	0.1
75.00766	100.0
76.01095	1.1
77.31971	0.1
78.95806	0.2
108.65144	0.2
154.05783	0.1
182.30681	0.1
211.61569	0.1
265.96536	0.2
277.21768	0.6
279.22772	0.2
282.29535	0.2
293.21317	0.1
440.40375	0.2
498.79703	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	27.4
61.98716	4.0
64.56038	0.9
65.22532	1.0
66.03518	1.0
69.03362	1.3
70.81999	2.8
71.01263	4.8
71.04913	1.9
73.02837	1.7
85.02834	1.7
87.00778	1.3
89.02323	5.0
96.95884	2.8
99.48817	1.0
101.02325	5.9
113.02366	3.4
119.03407	1.5
119.45209	1.2
145.55083	1.2
161.04555	1.3
171.10228	1.6
179.05521	1.4
183.13838	1.1
195.13927	1.6
211.13507	1.2
223.17065	1.5
235.08369	1.4
235.17044	13.7
253.09315	27.3
254.09560	1.7
275.20206	19.2
276.20547	1.6
293.21298	100.0
294.21600	9.9
346.10477	1.2
411.35458	1.2
494.82867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.8
57.03340	6.8
58.00484	3.7
59.01265	73.3
60.01607	0.8
61.98698	0.4
62.85033	0.3
66.15403	0.3
67.01772	0.5
68.99700	1.0
69.03348	6.5
70.16040	0.3
70.16373	1.3
71.01269	100.0
72.01602	1.4
72.99200	4.8
73.02834	10.8
75.00764	1.2
81.03339	3.2
83.01276	8.2
84.02074	0.9
85.02842	52.7
85.56200	0.3
86.03181	1.2
87.00777	5.8
89.02336	71.5
90.02677	1.4
93.03359	2.2
95.01285	7.1
95.04943	0.4
96.95916	1.0
97.02850	10.9
99.00780	23.0
99.04417	0.9
100.01097	0.4
101.02349	47.7
102.02707	1.0
106.04169	0.4
106.20788	0.3
107.03426	0.5
108.02085	0.6
109.02860	3.4
111.00802	1.2
111.04460	0.6
113.02357	65.9
114.02707	2.0
115.03913	0.8
119.03422	21.6
120.03780	0.3
121.02891	0.9
123.00787	0.9
123.04448	1.2
125.02376	33.8
126.02736	0.8
127.03937	0.6
129.01913	0.6
131.03435	25.4
132.03764	0.6
132.05742	1.7
133.01414	0.3
133.06528	37.7
134.06880	1.8
137.02380	7.8
139.03966	0.8
141.01852	0.3
143.03438	16.5
144.03874	0.4
145.05005	0.4
149.02539	0.6
149.04501	19.6
150.04878	0.6
155.03432	2.2
159.02959	1.5
161.04507	25.1
162.04878	0.5
165.05472	0.3
167.03464	2.5
173.04538	1.0
174.01715	0.4
175.02463	0.3
179.05576	25.1
180.05910	0.7
181.04961	0.4
185.04535	0.5
191.05589	19.0
192.05960	0.8
203.05594	3.5
205.03523	0.7
215.05612	1.2
217.50461	0.3
219.43987	0.3
227.05615	0.7
233.06688	1.5
245.06657	0.9
267.07318	0.5
275.07764	2.4
293.08838	30.4
294.09253	2.0
305.08829	1.1
323.09915	2.7
335.09854	3.3
353.10928	6.6
354.11334	0.5
377.10928	3.4
389.25421	1.8
390.26013	0.5
395.11984	1.7
405.58298	0.3
437.13336	0.3
455.14142	67.0
456.14499	5.7
457.17377	0.6
490.17560	0.3
499.13333	0.8
589.21399	8.4
590.21570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.4
57.03340	2.7
58.00481	2.9
59.01263	67.5
60.01595	0.5
61.98698	0.4
67.01794	0.4
68.99735	0.4
69.03346	4.3
71.01267	100.0
71.59315	0.5
72.01603	1.7
72.98827	0.7
72.99200	6.4
73.02835	20.8
75.00757	1.6
81.03337	2.8
82.95303	1.1
83.00809	0.7
83.01278	7.0
83.02399	5.6
83.04914	1.7
84.00809	0.5
84.01991	0.7
85.02841	28.8
86.03215	0.5
87.00765	7.5
89.02335	53.3
89.86944	0.3
93.03362	1.5
95.01289	5.5
95.04973	0.4
96.95889	1.2
97.02849	7.0
99.00778	13.6
99.04433	1.1
99.89797	0.3
100.01561	0.6
101.02343	76.0
102.02672	1.4
103.03886	0.4
108.02073	0.4
108.82605	0.4
109.02845	2.4
111.00755	1.4
111.04406	1.6
112.03986	0.6
113.02354	41.5
114.02699	1.2
115.00300	0.6
115.03953	0.6
119.03414	47.4
120.03760	1.0
123.00780	1.2
123.04449	0.9
125.02363	37.5
126.02700	1.5
127.03910	3.2
129.01852	1.5
130.13162	0.4
131.03426	29.0
131.04994	1.1
132.03790	0.7
132.05714	1.2
133.06516	36.3
134.06845	1.7
137.02371	7.2
138.03163	0.6
139.03944	0.9
143.03430	8.8
145.04979	1.6
149.02361	0.9
149.04517	3.1
150.03157	1.3
151.03978	0.6
152.01080	0.4
155.03436	18.5
156.03780	0.7
159.02943	1.1
161.04495	19.9
162.04832	0.6
163.29997	0.4
165.05568	0.8
166.99823	1.4
167.03494	2.1
177.01855	0.9
179.05571	35.4
180.05933	1.3
182.02126	4.1
191.05597	2.0
197.04515	6.6
203.05550	1.4
215.05585	1.5
221.06665	21.5
222.06966	1.1
233.06668	30.2
234.07057	1.3
245.06728	3.2
249.06210	0.7
251.07748	14.4
252.08063	0.9
263.07831	2.2
275.07797	4.3
293.08826	6.0
307.10553	0.7
311.09943	1.0
335.09894	1.4
353.10959	36.6
354.11395	2.5
377.11017	1.6
389.25204	0.6
391.27081	0.4
395.12015	22.2
396.12228	2.3
455.14136	72.0
456.08704	0.6
456.14493	7.1
477.26843	0.6
589.21771	3.6
590.22461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97627	0.9
55.01759	2.4
57.03301	1.1
59.01264	28.0
59.03003	1.0
61.98488	0.8
61.98718	9.3
69.03333	1.5
71.01267	26.5
71.55750	1.3
72.99185	3.2
73.02838	11.4
75.00760	1.3
83.01258	5.1
83.04852	0.9
85.02839	15.7
85.99972	1.5
89.02330	6.5
95.01274	2.0
96.95891	7.5
97.02840	1.4
99.00768	3.4
101.02350	23.2
107.04896	1.1
111.08085	6.7
113.02357	11.7
131.03403	1.2
136.30017	1.0
136.40593	1.1
137.02354	2.2
138.03156	10.0
149.04443	1.5
151.11205	10.2
161.04465	2.5
169.12288	24.9
170.12550	1.5
185.11769	1.5
195.10245	92.7
196.10570	5.2
213.11322	46.4
214.11591	3.2
233.15439	2.8
253.09225	1.6
291.19803	6.9
293.08878	1.4
329.16055	4.5
329.73901	1.0
347.17154	38.2
348.17410	3.0
373.15161	5.3
391.16132	8.4
543.28229	30.1
544.28265	4.6
575.00482	1.3
587.27112	100.0
588.27362	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	587.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03318	1.1
59.01265	29.5
61.98708	10.0
67.01816	1.0
69.69055	0.9
71.01280	6.1
71.55153	1.4
72.99216	1.7
73.02833	2.6
75.00775	1.9
83.01270	1.9
85.02842	5.4
87.00770	1.9
89.02339	4.8
93.03347	2.5
95.01300	2.1
96.95915	8.0
99.00804	1.3
101.02361	3.4
108.02087	1.9
109.02851	6.7
113.02361	3.8
115.00282	1.0
119.01299	3.9
119.03429	1.7
119.04958	1.1
121.02865	17.4
122.03699	8.2
123.00790	1.2
123.04429	3.5
124.01607	1.4
125.02401	1.9
131.03445	0.9
131.32121	0.9
135.04463	2.9
136.01636	2.9
136.05209	1.3
137.02368	22.3
138.03139	1.6
147.00812	6.2
147.04482	6.8
148.01622	7.3
148.05208	1.0
149.02380	4.7
149.04507	2.7
149.05913	1.8
150.03189	6.7
151.03935	2.3
153.05479	1.4
154.02681	2.3
154.99826	5.2
160.04050	1.2
161.02451	1.3
161.04782	1.1
161.06041	3.2
162.03185	2.5
163.03960	12.3
164.01091	3.5
164.04761	6.2
165.01880	100.0
165.05530	27.2
166.02359	5.4
166.05904	1.4
167.03427	1.1
175.03944	11.9
176.04620	1.8
177.01917	5.5
177.05557	2.5
178.06271	1.2
179.03467	21.5
179.05675	1.6
179.07074	14.1
180.04234	55.1
180.96736	0.8
181.04808	3.7
183.43434	0.8
191.07065	2.4
192.04268	3.9
193.05023	1.0
194.05809	4.6
195.02931	3.7
195.06604	69.1
196.07024	2.4
196.60190	0.8
207.06664	1.3
209.08131	1.8
210.05333	8.7
211.06125	0.9
225.07690	42.2
226.08069	2.1
251.13158	0.9
313.11166	1.3
315.12445	2.4
329.10376	2.9
329.14093	1.8
343.12054	1.9
346.14145	6.7
347.14960	7.1
348.15158	1.0
359.14978	0.9
360.15646	1.1
360.25833	0.9
361.16638	57.8
362.16968	6.0
366.25046	0.9
375.18225	1.4
382.98639	1.0
387.24078	1.1
415.17819	8.5
416.17291	0.9
432.66330	1.0
493.18903	2.7
524.20557	2.9
539.22992	84.8
540.23328	14.3
551.23053	8.3
552.23328	1.6
569.24091	8.4
570.24219	2.3
587.25330	10.6
588.24799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93301	0.6
55.09959	0.5
59.01264	100.0
61.98731	1.1
70.05682	3.1
71.01261	0.7
74.44853	0.5
88.98770	0.7
96.95956	0.6
101.02364	0.7
119.04942	29.0
120.05280	0.7
163.03947	19.7
164.04324	0.8
206.03841	0.6
208.62643	0.6
263.92911	0.6
265.13010	1.1
277.21780	25.5
278.22260	1.7
516.41461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11415	0.1
59.01266	1.6
59.73048	0.1
61.98718	100.0
62.98429	0.2
69.60888	0.9
71.01286	0.6
72.99201	0.1
73.02829	0.2
75.00768	0.2
85.02867	0.4
87.00777	0.2
89.02347	0.4
93.03364	0.1
96.95934	0.2
99.00829	0.2
101.02365	0.4
109.02837	0.2
113.02340	0.3
121.02879	0.1
129.01852	0.1
147.04442	0.1
149.02396	0.2
150.03180	0.4
151.03828	0.2
159.04448	0.1
165.01897	0.5
165.05551	0.5
166.02419	0.1
179.03528	0.1
180.04185	0.3
181.04782	0.2
195.06500	0.6
196.06940	0.2
225.07646	0.3
225.96597	0.1
247.59427	0.1
253.04996	0.2
258.09235	0.3
260.76160	0.1
362.16913	0.2
363.17581	0.3
364.17560	0.3
387.11185	0.2
389.25674	0.5
454.20016	0.4
524.22241	0.2
525.22815	0.3
526.22723	1.6
538.21729	0.3
586.24365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49458	0.4
57.01126	0.3
58.99565	0.4
59.01256	2.4
60.81325	0.4
61.98718	16.0
69.33115	1.3
69.33532	2.8
71.01286	1.2
81.03359	0.4
89.02347	0.8
93.03359	4.3
95.01292	0.6
95.04908	0.6
96.95934	0.4
99.62841	0.4
109.02856	0.7
121.02867	6.4
122.03653	13.6
123.00757	0.5
123.04527	0.8
124.01627	0.5
125.02333	0.6
133.02895	1.6
134.03683	0.4
135.04430	0.4
136.01604	1.6
137.02400	0.6
141.42981	0.4
147.04440	0.4
148.01590	0.6
149.01424	0.7
149.02379	37.2
150.03166	95.7
151.03462	4.2
160.01598	1.0
162.13869	0.4
164.04744	8.9
165.05522	100.0
166.05850	4.5
167.08705	0.4
179.07072	1.9
180.04233	6.9
181.04758	0.4
195.06606	63.2
196.06924	3.2
223.09677	0.6
242.09496	0.7
253.05238	0.5
258.09137	0.4
269.08224	0.6
270.09000	1.6
283.09921	1.9
285.11371	2.1
297.07846	0.5
297.11240	0.7
298.08459	1.0
299.09326	2.4
299.12808	1.2
301.10959	0.6
310.08502	0.7
311.09268	0.8
313.10806	0.8
314.08075	2.9
315.08566	0.4
324.09836	0.5
325.10794	1.3
326.07913	1.4
326.11624	0.7
327.08801	0.7
327.12408	4.8
328.13199	7.1
329.10339	5.4
329.13675	0.8
330.10919	1.4
340.13080	0.5
341.10367	7.8
341.14175	0.8
342.10718	1.3
343.15387	2.1
344.12708	8.1
345.13324	2.0
355.12021	1.0
356.12766	3.3
357.13531	0.7
359.15073	20.0
360.15463	2.2
371.15073	15.6
372.15485	1.9
448.14569	0.5
461.16376	1.9
463.17664	1.4
491.17114	0.5
492.17844	2.1
493.17853	0.8
507.20343	7.5
508.20480	1.0
519.20203	1.3
524.35229	0.8
525.35815	0.5
537.21411	42.6
538.21716	8.7
567.22070	0.6
585.23798	4.9
586.23712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01594	1.1
61.98716	7.3
70.31164	0.6
71.01269	2.2
73.02833	1.4
75.00775	0.3
76.87093	0.1
83.01267	0.9
85.02850	0.5
87.00790	0.3
89.02326	1.1
95.01283	0.3
96.95922	0.9
98.19856	0.2
101.02343	2.9
113.02353	1.0
119.03406	0.4
121.02892	0.3
121.51358	0.2
131.03445	0.3
135.04474	0.3
143.03403	0.2
149.04530	0.6
161.04506	1.1
179.05605	0.3
209.11810	0.8
211.03969	0.2
216.13632	0.2
221.06783	0.5
293.97226	0.2
327.08899	0.5
330.78146	0.2
337.11725	0.2
583.14069	0.6
583.28210	0.8
584.14191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93895	0.2
59.01265	100.0
60.01337	0.2
60.01588	1.2
61.15420	0.2
61.70296	0.2
61.98723	0.5
69.06169	0.2
70.74326	0.3
70.74688	0.6
71.01282	0.5
87.48288	0.2
101.02379	0.2
200.16547	0.2
277.21790	7.1
278.22137	0.6
291.23340	1.4
301.22168	0.3
319.23004	0.6
397.42761	0.2
576.70941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
59.01265	3.6
61.98719	100.0
67.12949	0.2
68.88730	0.2
71.01265	1.1
71.63290	0.5
72.99224	0.3
73.02841	0.3
75.00767	5.3
76.01113	0.4
76.75336	0.2
78.91782	0.6
80.52150	0.2
80.91600	0.3
83.01286	0.4
85.02866	0.5
88.98734	0.3
89.02347	0.6
95.01319	0.2
96.95909	1.3
98.20292	0.2
101.02365	0.6
107.01280	0.6
109.02877	1.1
113.02376	0.5
121.02864	0.4
125.02369	3.8
126.02724	0.7
135.04478	0.6
137.02388	0.9
151.00328	1.5
152.00644	0.4
161.02397	0.4
165.01859	0.3
167.03426	0.4
177.01875	2.1
188.04637	0.3
189.01863	1.9
193.05067	0.2
200.04828	0.6
213.05641	0.3
214.06207	0.4
215.03549	0.3
216.00674	0.3
217.01465	2.4
219.03099	0.6
227.07076	0.5
229.08684	0.3
231.06625	0.7
231.08534	0.3
232.07072	0.5
239.07314	0.4
241.04997	0.3
241.08717	2.7
242.09059	2.3
243.03029	0.4
243.06625	0.4
251.07137	0.4
255.06644	0.5
257.08328	0.8
264.04074	0.3
267.06772	1.3
268.07089	0.8
269.08240	1.7
270.08670	1.1
295.06210	0.7
296.06488	1.3
297.07614	0.4
327.05292	0.6
337.10880	0.6
356.81888	0.3
357.07553	0.5
358.08319	0.3
359.18964	0.3
385.07205	0.6
386.07724	1.1
402.13495	0.3
421.09399	1.6
422.09720	5.7
423.10275	0.6
446.09686	0.4
457.09494	1.2
464.10794	0.9
475.10651	0.7
548.13245	0.4
557.15009	0.4
566.13910	0.9
567.13635	0.7
584.14935	4.1
585.14349	1.5
585.29614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.6
61.98719	100.0
62.75478	0.1
62.98418	0.2
69.37862	1.1
71.01276	0.4
75.00777	0.2
78.46892	0.1
83.01260	0.1
85.02863	0.2
89.02380	0.1
95.01344	0.2
96.95914	0.6
101.02366	0.3
109.02969	0.1
123.04433	0.2
137.02374	0.2
139.47667	0.1
165.01936	0.1
209.11780	0.1
215.03546	0.2
216.04207	0.1
285.07697	0.1
345.07700	0.1
357.26727	0.4
358.27072	0.2
359.28082	0.3
360.28186	0.5
363.08759	0.2
365.10684	0.2
383.72165	0.1
391.08539	0.3
400.77731	0.1
401.07120	0.1
419.08136	0.4
542.04230	0.2
542.12225	1.5
554.13910	0.1
582.13739	0.1
583.13965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85871	0.3
52.66171	0.3
55.01780	0.7
57.03342	2.1
57.41542	0.3
59.01268	8.6
60.01591	0.4
61.98716	19.9
68.69852	0.3
69.03353	2.4
69.41016	3.1
71.01273	6.5
71.04910	0.7
72.01601	0.5
72.99188	1.0
73.02841	1.5
75.00753	1.0
83.01289	1.3
85.02840	3.5
86.03194	0.6
87.00791	0.7
89.02341	3.6
93.03345	0.5
95.01299	1.6
96.95908	0.7
98.19830	0.5
99.00804	0.8
101.02354	3.7
102.02669	0.6
107.04966	0.3
108.02080	46.8
109.02891	9.9
110.03208	0.5
113.02347	2.8
113.06033	0.5
113.15379	0.3
114.02705	0.4
116.75357	0.3
119.03438	1.6
121.02864	0.7
123.00719	0.7
123.04390	0.8
125.02345	0.7
133.02896	0.7
134.03679	0.6
135.04449	1.0
137.02385	0.6
139.11241	2.4
147.04500	0.8
149.02354	0.5
150.03192	0.8
151.00406	0.4
151.03951	1.0
152.01094	100.0
153.01688	4.9
161.04495	0.9
163.03955	2.5
165.05553	1.5
167.03491	0.3
177.01936	0.6
179.03404	0.7
179.05588	1.2
180.05917	0.4
181.05038	0.6
182.36024	0.3
183.10237	2.0
195.06583	0.9
196.07437	0.6
197.22318	0.4
204.15878	0.4
209.08315	0.4
211.09743	0.7
229.18094	0.7
230.18575	0.4
241.07201	1.2
267.05304	0.5
269.04623	0.8
285.06384	0.7
299.12454	0.4
359.28220	0.7
360.28436	0.9
361.29395	0.7
373.15286	2.7
399.09396	15.1
400.09555	1.7
417.10526	6.5
418.10800	0.4
449.19556	0.6
450.19931	0.6
451.20374	2.6
502.17471	0.4
522.33765	5.1
523.34564	6.8
524.35327	0.5
583.20447	99.5
584.20721	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57647	0.2
59.01264	100.0
60.01606	0.7
69.76740	1.6
71.01245	0.2
89.02337	0.3
101.02296	0.3
162.37128	0.2
162.71349	0.2
191.43811	0.2
205.22264	0.2
221.27899	0.3
277.21823	3.6
286.77438	0.3
289.53473	0.3
291.23386	0.4
367.63416	0.3
390.08371	0.3
393.19321	0.3
527.28253	0.3
593.22186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.8
61.41209	0.1
61.98716	100.0
69.18954	0.1
71.01279	0.6
72.99218	0.2
73.02832	0.3
75.00761	4.8
75.10298	0.1
76.01105	0.3
79.90436	0.1
85.02851	0.4
87.00759	0.2
89.02345	0.3
96.95918	0.5
98.20567	0.3
99.00787	0.1
101.02347	0.5
102.07215	0.1
113.02342	0.2
124.10072	0.1
125.02380	0.2
161.06160	0.1
180.72194	0.1
199.81357	0.1
214.13351	0.1
254.30534	0.1
267.07135	0.1
357.26578	0.2
358.26764	0.1
359.27820	0.3
360.28107	0.5
364.05713	0.2
390.07379	0.2
391.08047	0.7
392.08853	0.4
419.07797	0.2
420.08148	0.5
554.14441	0.2
582.13629	1.4
582.23865	0.4
583.13928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.5
55.68393	0.5
57.03338	7.7
59.01264	87.5
59.43988	0.5
60.01611	0.9
61.98718	14.7
69.03342	1.8
71.01269	11.4
71.01672	0.6
72.99210	1.6
73.02834	6.0
74.45586	0.5
75.00764	4.9
83.01282	6.8
85.02844	4.3
86.44697	0.4
87.00809	0.6
88.78129	0.5
88.98688	0.7
89.02326	5.1
95.01303	1.3
96.95919	3.5
98.19839	1.2
99.00778	0.6
101.02345	9.4
101.03006	0.5
113.02360	10.4
119.03428	2.8
121.02848	0.8
131.03421	1.6
143.03452	1.3
149.04492	1.6
151.00317	1.9
161.04498	5.0
166.81184	0.6
178.99806	0.7
179.05542	1.1
183.10182	0.7
185.02304	0.5
211.17064	1.9
213.18584	6.7
214.18994	0.7
221.06577	3.6
228.32608	0.6
229.69403	0.5
243.55942	0.5
254.05827	0.5
281.25040	0.7
299.25980	25.9
300.26230	2.7
341.26953	1.4
352.07352	0.5
359.28094	100.0
360.28427	9.4
365.27255	0.8
389.06473	1.2
401.29050	1.3
417.06299	1.6
435.07153	1.9
455.03250	0.9
581.13147	4.9
581.27167	1.1
582.13751	0.9
582.24799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92571	1.1
55.01772	2.5
57.03332	2.9
57.61929	1.0
58.00483	3.8
59.01265	91.7
61.98716	20.0
64.66476	1.2
69.48414	8.8
71.01266	55.8
72.99200	2.4
73.02834	6.9
75.00769	2.0
83.01289	4.0
85.02840	16.9
87.00772	3.8
87.04411	1.2
89.02336	54.5
89.92839	1.2
95.01273	3.7
96.95924	1.3
97.02848	1.1
97.06407	1.1
99.00795	2.9
101.02350	33.4
113.02358	19.4
115.30428	1.2
119.03416	23.5
121.10187	1.8
121.77331	1.1
125.02344	2.6
125.09639	2.1
125.37808	1.0
127.11175	2.5
131.03447	1.9
135.04424	1.7
143.03482	4.9
149.04474	2.6
155.10672	1.9
157.12277	1.7
159.02756	1.2
161.04486	8.8
163.00410	1.3
165.05516	1.2
171.13850	3.6
179.05563	15.1
187.13332	2.1
201.14946	11.7
218.72409	1.2
241.53954	1.3
335.15344	1.2
357.26627	1.6
359.28107	21.6
360.28488	3.4
521.33435	100.0
522.33679	13.9
581.33813	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	581.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66620	0.5
57.03325	2.3
59.01266	17.1
61.98719	26.2
69.35566	2.2
69.35995	3.3
71.01267	6.6
72.99198	0.9
73.02821	2.4
73.26512	0.6
74.02352	0.5
75.00755	3.4
83.01280	0.6
85.02834	2.6
87.00768	1.8
88.98692	1.2
89.02332	3.2
95.01308	0.6
96.95911	4.6
99.00735	1.3
99.92495	0.8
99.94636	0.5
101.02333	3.5
107.22186	0.6
108.02086	0.5
109.06506	1.1
113.02374	3.0
115.00289	2.4
116.92769	10.1
116.97186	1.4
117.01842	1.8
117.92807	1.0
119.03415	0.9
119.04871	0.7
120.55354	0.5
123.00698	0.5
125.02409	0.6
127.07580	1.6
137.02385	0.8
140.28830	0.6
140.86353	0.5
143.03438	0.7
147.04486	1.0
149.04541	1.1
149.05965	1.3
150.03175	2.0
151.00238	0.6
159.04567	0.6
161.04491	1.0
165.05539	1.7
175.02408	4.2
177.01880	0.8
189.05592	0.6
195.06683	1.3
214.83455	0.5
229.05095	0.7
253.21758	3.8
267.06738	0.5
269.24893	0.6
283.09860	0.5
313.23868	0.6
319.35519	0.7
336.04733	0.6
341.27164	1.6
359.28104	100.0
360.28448	11.5
373.29678	0.9
385.12988	1.8
391.58221	0.6
419.11679	2.8
420.11444	0.6
477.06787	0.6
521.33136	2.1
581.15729	0.9
581.23663	0.9
581.31519	1.9
582.24036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.5
55.68393	0.5
57.03338	7.7
59.01264	87.5
59.43988	0.5
60.01611	0.9
61.98718	14.7
69.03342	1.8
71.01269	11.4
71.01672	0.6
72.99210	1.6
73.02834	6.0
74.45586	0.5
75.00764	4.9
83.01282	6.8
85.02844	4.3
86.44697	0.4
87.00809	0.6
88.78129	0.5
88.98688	0.7
89.02326	5.1
95.01303	1.3
96.95919	3.5
98.19839	1.2
99.00778	0.6
101.02345	9.4
101.03006	0.5
113.02360	10.4
119.03428	2.8
121.02848	0.8
131.03421	1.6
143.03452	1.3
149.04492	1.6
151.00317	1.9
161.04498	5.0
166.81184	0.6
178.99806	0.7
179.05542	1.1
183.10182	0.7
185.02304	0.5
211.17064	1.9
213.18584	6.7
214.18994	0.7
221.06577	3.6
228.32608	0.6
229.69403	0.5
243.55942	0.5
254.05827	0.5
281.25040	0.7
299.25980	25.9
300.26230	2.7
341.26953	1.4
352.07352	0.5
359.28094	100.0
360.28427	9.4
365.27255	0.8
389.06473	1.2
401.29050	1.3
417.06299	1.6
435.07153	1.9
455.03250	0.9
581.13147	4.9
581.27167	1.1
582.13751	0.9
582.24799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.0
59.01264	69.8
60.01604	1.1
61.98716	18.6
63.02271	0.7
69.03345	0.6
69.28087	1.6
69.28517	3.1
71.01271	9.2
72.80773	0.4
72.99200	6.0
73.02830	4.5
75.00764	27.3
83.01273	4.6
83.04905	0.5
85.02831	3.0
85.66347	0.4
88.98698	1.1
89.02343	4.9
95.01297	1.0
96.95897	5.8
97.06513	0.7
99.00838	0.5
101.02356	6.4
107.01328	1.4
113.02352	8.1
119.03437	2.1
119.04919	0.8
123.08076	0.8
124.01537	0.8
125.02396	1.1
127.07581	0.7
131.03438	1.5
135.04440	0.5
143.03423	1.0
149.04514	0.9
151.00304	3.7
152.01082	1.0
161.04501	3.2
167.03484	0.5
169.01378	0.9
178.99838	2.2
179.05562	1.2
185.15405	0.9
193.01427	0.8
205.01437	0.7
213.18555	1.4
221.06676	1.9
223.31418	0.5
225.05750	0.6
253.05147	0.4
267.03046	3.7
279.23444	1.5
297.24371	0.8
299.25967	17.2
300.26343	1.9
305.55429	0.5
329.08835	0.5
341.26935	1.4
359.28091	100.0
360.28464	11.4
365.26770	1.4
389.06702	1.9
390.07202	0.7
391.08383	0.6
401.28964	0.9
406.07135	0.8
407.07803	0.9
417.06027	1.0
419.07730	0.9
431.30170	0.6
434.06641	1.0
435.07187	4.0
436.07639	0.7
507.34579	0.5
511.15195	0.6
581.13184	11.2
582.13281	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	581.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.5
55.09918	1.2
57.03337	5.1
58.00462	1.2
59.01265	46.8
61.98720	3.6
69.03315	1.7
70.92138	1.8
70.92480	1.5
71.01270	58.7
72.99187	3.4
73.02834	15.5
75.00752	3.4
83.01275	7.2
85.02842	35.3
86.03194	1.4
87.00764	5.6
89.02339	20.3
95.01267	3.8
96.95879	1.1
97.02817	1.5
99.00793	8.2
101.02346	43.4
108.02125	1.2
109.02858	1.5
109.73488	1.1
113.02348	22.2
114.94748	1.1
116.92742	3.4
119.03410	5.2
121.02821	1.6
125.02356	4.5
129.01840	3.3
131.03448	3.8
133.02855	1.5
135.04424	1.6
137.02351	2.2
141.01871	1.1
143.03421	2.5
147.02968	1.4
149.02368	4.9
149.04469	3.0
149.05994	1.3
150.03188	10.4
159.02916	3.4
161.04501	17.9
164.04694	1.4
165.04214	1.9
165.05511	10.8
167.03491	1.5
175.02496	1.3
175.03914	1.6
179.03491	1.3
179.05460	1.0
180.04227	2.3
189.05582	1.4
191.01933	5.2
191.05652	1.3
195.06572	5.3
201.08321	1.1
209.02994	5.0
249.06107	1.4
283.10767	1.3
298.04929	1.5
325.12924	1.6
389.21899	68.0
390.22244	8.0
404.14697	1.5
419.11404	2.0
419.17169	4.2
433.20624	3.7
449.20108	1.9
473.18277	9.6
474.18475	1.5
491.19522	2.7
521.26196	100.0
522.26563	13.2
533.20361	3.1
581.14160	5.0
581.22333	23.1
582.22742	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	581.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.5
57.03331	2.9
58.00483	2.3
59.01264	36.3
61.98710	5.2
69.03320	1.8
71.01269	49.9
71.53682	2.5
72.87671	1.1
72.99197	3.1
73.02840	16.3
75.00776	1.4
76.85702	1.3
83.01270	5.6
85.02841	35.4
86.03175	2.0
87.00764	3.1
89.02340	14.7
93.03332	2.3
95.01278	3.2
96.95930	3.2
97.02847	1.6
99.00776	8.1
101.02351	31.5
102.30907	1.3
109.02863	1.6
111.00796	2.2
111.04432	1.8
113.02361	18.5
114.25465	1.2
115.03941	1.4
116.92804	3.1
119.03419	2.6
119.82877	1.2
121.02871	1.3
123.04433	1.8
123.77618	1.4
125.02351	3.9
129.01822	3.8
131.03404	2.5
133.02832	1.4
134.03642	1.7
135.04465	1.3
137.02382	3.6
143.03500	1.5
147.02992	2.1
149.04500	3.7
150.03014	1.2
151.03889	1.6
159.02899	2.4
161.04509	13.8
165.27428	1.3
179.03529	1.5
191.01952	5.9
192.02301	1.9
193.02547	1.3
193.05009	3.0
209.02954	5.5
209.04665	1.6
227.16493	1.5
266.34387	1.4
327.08536	1.8
344.08780	2.5
358.10608	3.0
359.11328	6.0
371.07404	2.8
373.13120	7.4
374.13202	1.6
389.11783	5.5
389.21851	21.4
401.08041	2.5
401.18079	2.5
404.15002	1.9
419.11963	1.6
419.17160	18.9
420.17502	3.1
461.10339	2.3
521.26129	100.0
522.26569	12.8
581.14539	13.5
581.23706	3.8
582.14929	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	581.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03339	2.6
58.00476	1.9
59.01264	95.0
60.01608	1.3
69.40974	1.9
69.41383	5.9
71.01266	20.1
72.99181	1.3
73.02841	2.3
75.00757	2.3
83.01269	1.3
85.02843	5.0
87.00767	2.2
89.02339	14.8
95.01269	1.3
96.95916	2.6
98.20662	1.0
99.04418	11.3
101.02344	10.0
103.00199	0.8
113.02343	6.2
116.92786	5.4
119.03433	4.2
121.02848	1.3
122.03686	2.0
131.03415	1.1
134.03519	0.9
149.02377	4.9
149.04494	3.7
150.03171	17.5
164.04768	1.1
165.05516	18.9
165.12804	7.1
166.05887	1.6
188.13768	0.9
189.12854	1.2
191.05724	1.6
193.05025	0.9
195.06577	6.8
207.13902	16.6
209.11809	42.3
210.12154	3.2
225.14996	11.4
226.15195	1.7
251.12894	8.9
256.20276	0.9
269.13992	92.4
270.14294	7.7
281.15283	1.0
287.15024	1.8
314.11612	1.5
319.04306	1.1
325.12827	1.7
329.14166	1.6
359.15488	1.0
376.75534	0.9
390.74405	0.9
401.18448	2.0
411.89926	0.9
449.20389	100.0
450.20779	13.5
473.18094	7.0
474.18399	1.4
491.19345	3.2
492.19229	1.0
503.22177	1.1
521.20428	2.8
521.33496	1.6
522.20929	1.1
533.20435	3.8
547.67371	0.9
581.24652	79.1
582.25116	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23978	1.4
57.03340	4.5
58.00489	2.5
59.01265	100.0
60.01577	1.2
61.98721	2.8
68.99729	1.4
69.03369	1.4
70.68045	1.2
71.01273	37.0
71.60727	1.7
72.99206	6.3
73.02851	9.3
74.02345	1.3
75.00764	41.3
76.01115	1.9
77.61698	1.2
81.03290	1.3
83.01295	3.7
85.02834	16.1
87.00793	4.6
89.02334	24.3
95.01303	2.8
96.95951	2.5
97.02837	1.8
97.06505	1.2
99.04436	6.5
101.02345	21.6
108.02100	2.6
109.02911	1.8
111.04453	1.8
113.02370	13.7
114.86562	1.4
119.03423	7.4
121.02849	2.3
123.04436	3.1
124.01573	2.0
125.02397	3.3
129.01834	2.1
131.03407	1.8
131.12968	1.4
134.03685	3.6
135.04475	2.0
137.02344	2.8
143.03462	2.4
145.02876	1.6
147.02940	2.9
147.04506	1.7
149.02386	4.7
149.04517	4.5
150.03220	6.4
151.00262	2.9
151.03903	2.6
155.10774	1.5
159.04520	1.2
159.70500	1.1
161.02441	2.8
161.04501	3.9
161.05905	1.1
162.03188	3.4
163.03944	2.2
164.04744	3.5
165.05553	7.7
165.12825	4.4
175.03983	3.8
177.05673	1.7
178.99844	1.9
179.03537	1.5
179.05603	2.3
179.07094	1.5
180.04218	3.9
187.78845	1.2
189.05476	2.0
190.02721	5.1
190.06314	4.5
191.01945	2.9
191.03494	1.8
191.07098	3.4
193.05070	5.7
195.06584	3.6
205.05031	4.6
205.08775	3.8
207.06656	1.7
207.13872	9.7
209.02992	1.4
209.08148	1.7
209.11827	25.4
210.12105	2.7
223.06149	3.7
225.14926	8.2
227.12978	1.6
251.12981	4.7
265.07285	5.8
269.13977	50.2
270.14380	5.5
287.02045	2.1
287.15109	2.4
315.01450	6.9
325.09161	1.8
329.14035	1.9
338.12183	1.5
346.59766	1.5
377.28885	1.5
387.10825	1.9
389.16125	26.1
389.21823	3.3
390.16629	1.7
401.18503	2.7
449.20355	50.7
450.20602	6.3
477.23700	15.2
477.30289	2.4
478.23935	2.5
479.84814	1.4
495.24594	9.8
505.26572	1.4
521.26099	8.8
521.33466	10.8
522.26355	1.7
533.20636	1.6
537.08887	2.3
537.25598	2.1
539.34491	3.0
563.18292	2.3
564.18066	1.4
581.24744	69.8
582.25555	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	581.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43478	0.5
53.56908	0.6
57.03336	0.9
59.01263	38.4
65.00842	0.5
69.24828	6.3
69.25253	1.4
71.01260	4.9
72.99194	0.8
73.02822	1.7
75.00764	10.0
77.57039	0.6
85.02837	2.5
87.00747	0.8
89.02332	4.0
99.04425	1.4
101.02343	3.1
109.02846	1.3
113.02329	2.2
115.00308	0.5
119.03404	0.9
137.02373	2.6
144.58072	0.6
145.02885	1.5
147.04442	1.8
149.04515	1.2
151.03972	3.6
152.04735	1.3
161.04555	1.2
162.03265	0.6
163.03946	4.9
165.01888	1.1
165.12828	0.9
167.03474	1.3
174.03151	2.7
175.02527	1.0
175.03958	13.6
176.04677	3.0
177.05540	2.7
179.03577	0.8
180.04199	6.9
188.04735	2.6
189.05533	5.4
190.06326	18.3
191.07118	10.1
192.04198	0.9
193.05023	5.7
194.05833	5.7
195.06560	0.7
203.07120	2.0
205.05640	0.8
205.08684	11.7
207.06631	6.0
207.13905	1.3
208.07393	10.8
209.07851	0.6
209.11847	4.6
222.09006	2.0
223.09853	0.8
225.14896	1.1
251.12848	1.2
269.08334	1.7
269.14026	10.9
274.97470	0.7
283.09674	1.0
283.79916	0.7
299.09485	0.6
311.09299	1.9
314.11630	2.7
316.22141	0.8
326.11688	1.3
329.14023	11.5
330.14264	0.7
338.54291	0.6
341.14001	6.2
359.11160	0.7
374.13763	2.8
389.16147	100.0
390.16467	10.6
419.17322	5.3
420.17731	1.2
449.20383	12.8
450.20578	1.4
477.23553	1.3
495.24744	0.9
508.28525	0.8
521.25903	2.1
521.33051	1.1
581.15302	0.9
581.24609	18.0
582.25079	2.2
605.24109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48351	0.4
57.03326	0.5
59.01264	50.9
60.01609	0.9
69.39975	3.4
71.01276	2.0
73.02831	0.7
75.00751	0.8
85.02843	1.7
89.02351	1.0
101.02354	1.3
109.02824	0.4
113.02327	0.8
121.02852	0.6
123.00779	0.5
125.02357	0.5
137.02380	3.8
139.00331	0.6
145.02927	2.0
147.04469	1.8
149.02470	0.5
149.04512	0.4
150.03165	0.7
151.03963	3.8
152.01169	0.8
152.04707	0.6
161.04514	1.1
161.05956	0.4
162.03169	0.6
163.03963	4.5
165.01935	0.5
165.05540	0.9
166.02733	0.6
166.06317	1.0
167.03453	1.3
173.02391	1.0
173.06046	0.4
174.03165	3.1
175.03963	13.6
175.05502	0.7
176.04715	3.4
177.05519	1.5
179.03438	1.5
180.04233	8.3
181.04936	1.4
188.04729	3.2
189.05533	6.8
190.06325	19.4
191.03505	0.6
191.07098	13.9
191.58627	0.4
192.04335	0.7
192.07474	0.9
193.05014	7.2
194.05801	7.1
195.06483	0.7
203.07132	2.2
205.08694	18.8
206.09003	0.9
207.06612	6.2
207.13878	0.7
208.07387	14.9
209.07809	1.2
209.11832	2.2
222.08939	2.6
223.06303	0.7
223.09666	0.8
224.06822	0.4
240.04173	0.5
251.12971	0.4
269.08292	3.7
269.14075	3.6
281.08340	0.9
283.09769	1.3
296.10443	0.4
299.09210	2.1
311.09329	3.5
314.11646	5.7
315.11725	0.7
325.10703	0.6
326.11566	3.8
329.10074	0.9
329.13992	19.2
330.14264	2.3
341.14008	11.3
342.14395	1.3
359.15063	0.5
374.13828	2.8
389.16144	100.0
390.16452	11.9
419.17142	5.3
420.17813	0.9
449.20364	3.3
521.25720	0.5
581.15900	0.7
581.24457	4.7
582.24524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2254
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01764	2.1
57.03340	1.6
58.00473	2.4
59.01265	49.9
59.93405	0.6
69.27744	7.8
71.01270	27.4
72.99198	2.9
73.02837	4.4
75.00759	0.9
78.95832	0.8
79.20857	0.6
80.64972	0.6
83.01285	5.4
85.02853	11.5
85.03362	1.0
85.99995	1.6
87.00771	3.1
89.02338	18.4
95.01292	3.5
97.02847	0.8
98.20647	0.8
99.00795	3.6
101.02344	17.9
103.72160	0.6
109.02829	1.6
113.02365	7.7
115.03897	1.5
119.03415	7.4
121.02917	0.8
122.03613	0.9
123.00802	8.7
124.01591	2.7
125.02325	0.8
137.02394	1.3
138.02083	1.1
138.03160	22.4
139.03954	4.0
142.95238	0.7
143.03435	2.3
149.02417	1.7
149.04446	0.7
149.27831	0.7
150.03169	5.3
153.05513	14.8
159.04393	1.1
161.04489	0.8
165.05556	4.0
175.03960	1.0
177.05507	0.9
179.05539	1.4
187.03979	3.6
188.04652	1.2
189.05502	2.2
195.06625	2.1
201.05556	0.8
202.06313	5.2
203.07118	4.4
205.04929	1.1
206.05829	1.1
206.39935	0.8
207.06544	0.8
207.13940	0.9
209.11812	1.6
217.05093	0.9
217.08530	0.8
221.08153	3.9
232.07596	0.9
233.08205	9.2
247.09708	1.3
250.08524	1.2
269.13904	3.1
298.05185	0.8
309.07712	1.1
313.07205	3.7
325.06888	1.1
327.08786	2.5
328.09207	0.8
329.06839	0.9
340.09518	2.8
341.06598	1.5
341.10370	2.8
343.08188	1.7
343.12030	1.0
344.09109	3.3
355.11850	4.4
356.09003	1.6
356.12903	1.3
357.09549	0.9
358.10611	7.9
359.11389	12.8
359.15131	1.4
360.11926	1.0
371.11368	10.4
372.11832	2.0
373.12976	18.6
374.13187	2.1
386.13654	3.4
389.12375	6.2
390.13120	1.5
401.16336	4.5
404.14886	11.0
405.10638	0.8
405.15399	4.7
419.17197	30.4
420.17563	4.5
449.20291	2.7
473.17966	2.1
491.19315	1.7
521.20233	3.5
522.20679	0.9
562.52686	0.8
566.20270	4.2
581.22552	100.0
582.22894	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	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03328	1.9
58.00475	1.8
59.01266	98.4
61.98713	1.5
69.53395	3.7
69.53821	7.2
71.01272	26.6
72.38579	1.1
72.99194	3.5
73.02844	4.3
75.00758	1.3
76.93990	1.2
83.01280	4.1
85.02843	10.7
87.00754	3.0
89.02336	17.6
93.03375	1.7
95.01292	2.5
97.06484	1.4
99.00758	2.8
99.04433	7.4
101.02339	13.6
107.01305	2.1
108.02103	1.9
109.02859	5.4
113.02359	9.5
119.03444	4.0
121.02904	2.1
122.03638	3.0
123.04450	1.6
125.02340	1.6
133.02896	2.1
135.04440	4.2
137.02357	2.6
149.02394	9.6
149.04489	2.6
150.03154	17.1
151.00365	5.4
151.03893	2.4
163.03978	2.9
164.04726	2.0
165.05515	23.3
165.12782	5.2
166.06024	1.4
175.03949	3.3
177.05534	2.1
180.04150	1.7
181.08624	1.4
187.09721	2.3
189.05565	2.3
190.06314	2.9
191.07016	1.6
193.05023	10.4
194.05840	1.3
195.06635	7.8
205.05005	2.2
205.08698	3.3
207.06592	1.7
207.13885	10.1
208.07405	2.6
209.11818	27.2
210.12022	1.9
223.06099	2.5
225.14970	8.1
241.05013	1.5
251.12941	7.4
255.06677	1.6
260.32361	1.1
269.14001	67.9
270.14352	4.0
287.05658	9.7
287.15143	2.9
293.04565	1.2
294.04840	1.3
295.05011	1.8
299.09387	10.7
311.09216	2.3
313.10803	2.0
325.12921	3.6
326.11758	2.0
329.10391	2.8
329.13934	2.2
341.13879	2.3
344.12576	9.8
359.15076	23.7
360.15485	2.7
377.16226	1.5
388.72821	1.2
389.16180	19.9
390.16833	2.5
417.09610	1.5
419.13345	11.9
449.20392	100.0
450.20737	8.4
463.99539	1.4
473.18314	18.4
474.18753	2.8
491.19498	8.5
521.20374	87.5
522.20770	13.1
533.20410	8.9
534.20905	1.7
539.21118	2.1
581.15973	6.1
581.24573	62.7
582.25073	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01738	1.4
54.80799	1.4
57.03321	2.4
58.00475	3.3
59.01263	100.0
61.98701	3.9
65.63918	1.5
69.34784	15.8
71.01265	61.3
72.99199	4.6
73.02821	5.5
75.00755	2.3
78.95800	3.2
83.01268	3.7
85.02832	13.9
87.00753	4.4
89.02335	82.5
93.03352	1.9
95.01257	3.8
96.95906	4.9
101.02341	30.0
108.02070	45.5
109.02838	6.6
113.02354	26.3
115.00297	2.3
119.03418	32.7
121.02808	2.1
123.04430	24.2
131.03412	4.3
133.02847	2.8
134.03635	1.7
143.03409	6.1
145.02884	3.5
147.04411	5.1
148.04111	1.7
148.05246	5.2
149.04448	3.1
151.00301	3.5
152.99559	2.5
153.01846	7.0
153.76877	1.5
159.04422	5.3
161.04518	9.2
162.06693	2.0
179.05586	27.3
180.04190	5.1
227.10548	2.2
255.10324	4.4
267.06818	2.7
283.09781	21.7
284.10400	2.7
295.09766	3.7
296.10522	2.3
297.11227	3.7
298.12021	2.9
310.12137	10.5
311.09299	53.0
311.12836	3.7
312.09549	5.4
325.10718	6.5
325.14441	16.6
326.11636	36.5
326.15045	2.0
327.12033	3.1
341.13995	51.3
342.14273	4.3
449.19901	4.8
461.14032	2.8
465.15878	3.3
493.19031	7.8
521.33319	18.0
537.17883	1.8
581.16815	22.0
582.16882	3.1
585.54517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70524	0.3
57.03326	0.5
59.01268	7.1
61.01703	0.4
61.98722	0.7
70.73634	0.4
70.73985	1.5
71.01273	7.4
71.01615	0.3
73.02840	1.2
83.01310	0.4
85.02856	1.7
89.02327	2.5
95.01272	0.5
96.95933	1.0
101.02358	2.4
108.02078	100.0
109.02917	14.2
110.03236	0.6
113.02341	1.5
115.00291	6.1
116.92758	0.7
119.03442	0.9
121.02844	0.9
122.03622	0.5
123.04438	56.0
124.01560	2.2
124.04775	1.7
125.02399	0.5
132.02106	0.4
133.02887	5.7
134.03680	4.6
135.04475	2.6
136.01595	0.4
137.02391	0.8
145.02873	0.4
146.03709	0.5
147.04454	7.3
148.05238	14.7
149.02383	0.4
149.04594	0.5
149.06003	3.6
150.03107	2.3
159.04460	6.3
160.05241	1.1
161.04649	0.7
161.06020	1.7
162.06743	2.4
163.03928	2.6
171.04630	0.4
172.05241	0.4
173.06026	1.9
174.06834	0.5
177.01738	0.4
179.03357	0.6
180.04237	4.9
181.04707	0.4
185.06062	0.5
187.07639	1.4
189.05521	0.7
193.04980	0.8
194.05757	0.9
212.04837	0.5
213.05487	0.4
224.04857	0.4
229.18089	0.5
233.03954	0.4
239.07161	1.5
240.04332	0.9
241.05074	1.7
250.06178	0.5
251.07225	0.6
252.04289	0.5
255.06665	0.9
256.07416	1.8
257.08157	0.5
263.07236	0.5
266.05850	0.8
267.06717	5.5
267.09854	0.5
267.10724	0.4
268.07373	2.8
269.04630	0.7
269.08200	0.8
274.88837	0.4
277.08646	0.5
279.06622	0.5
280.07214	0.4
281.08252	0.9
282.09067	2.4
283.09732	3.6
284.10449	1.0
293.08282	0.6
293.11722	0.5
294.08981	1.0
295.09818	4.5
296.10425	0.9
297.11380	2.9
298.08469	0.5
298.11835	0.7
299.12915	0.9
309.11414	1.7
310.12164	21.7
311.12680	3.3
323.13095	0.8
325.14511	49.0
326.14819	4.5
337.10883	0.9
339.12204	0.5
349.98999	0.4
351.12485	0.7
358.27383	0.5
369.13223	1.0
375.27322	0.4
376.09665	1.3
377.74918	0.4
383.15091	1.4
387.11111	0.7
391.11899	5.3
392.12207	0.6
403.11868	0.8
404.12643	0.5
406.14084	3.3
407.14624	0.6
413.13040	0.4
418.14246	2.7
419.14999	2.4
421.16580	2.5
433.16742	3.7
434.17429	1.5
449.19757	6.2
450.19992	0.8
461.16110	7.8
462.16544	0.9
465.15686	7.1
466.15997	1.1
475.17789	7.0
476.17767	1.2
493.18808	22.1
494.19095	3.0
519.16785	0.9
520.32251	2.2
521.33295	4.6
537.17883	7.2
538.18005	1.1
538.32739	0.5
581.16766	46.3
582.17108	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	581.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40544	0.5
57.03311	0.7
59.01266	11.0
61.98723	3.0
69.31402	5.5
69.31808	1.3
71.01271	11.1
73.02824	1.1
75.00751	1.0
83.01279	0.7
85.02840	2.5
85.27068	0.6
88.98721	0.9
89.02341	3.5
95.01208	0.7
96.99207	0.9
101.02348	4.2
108.02068	2.8
109.02885	6.0
113.02337	3.3
115.00281	7.5
117.03375	0.9
119.03386	1.1
119.04931	1.9
121.02886	2.9
121.95300	0.6
122.03635	1.7
123.04427	3.5
124.01596	2.5
125.02395	0.9
133.02885	4.1
134.03664	67.4
135.04494	6.1
136.01575	1.8
136.05261	3.0
137.02361	2.8
143.03395	0.8
145.02890	0.7
146.03674	2.1
147.03305	1.2
147.04446	18.6
148.05257	2.8
149.06018	29.9
150.06355	1.4
151.03941	2.1
153.05508	1.8
158.03682	3.1
159.04443	7.2
160.05162	2.1
161.04553	1.2
161.06010	2.5
162.03207	0.7
162.06772	0.7
163.03998	1.6
164.04741	3.8
165.05411	0.8
173.06110	1.4
175.07620	1.1
177.05574	1.4
178.02644	4.7
179.03467	0.6
179.05533	0.7
192.04240	8.2
193.05031	46.2
194.05418	2.2
194.22394	0.6
195.06641	3.9
195.08041	0.7
201.14926	0.8
223.07512	0.6
226.06320	0.6
238.06340	0.7
240.04269	3.8
241.05069	2.8
241.08704	1.5
251.07159	2.2
252.07935	3.6
253.05002	1.9
254.05818	3.1
255.06654	8.9
256.07391	2.3
266.05832	1.1
267.06656	3.9
268.07474	15.9
269.08221	18.2
270.08990	11.3
271.09799	2.7
272.06903	2.9
280.07489	1.1
281.08252	2.8
282.09021	3.4
283.09827	21.7
284.10550	19.0
285.11008	2.0
295.06229	2.2
295.09814	0.9
297.11389	11.3
298.08649	1.0
298.12048	5.2
299.09509	1.2
299.12967	6.2
300.13260	0.6
310.08585	2.8
311.12790	0.9
313.10974	3.5
325.10849	1.8
335.17340	0.8
343.11780	1.1
358.14578	0.6
359.28134	0.8
373.26041	0.7
386.09738	0.6
387.10968	17.0
388.11246	1.5
392.51025	0.6
449.17688	2.1
465.15463	1.4
493.18576	0.8
521.33472	18.7
522.34088	1.4
537.17871	1.9
580.35022	0.8
581.16760	100.0
582.17010	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	581.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01263	15.2
61.98718	2.5
69.32806	5.3
71.01270	15.3
73.02849	1.7
75.00757	1.4
83.01267	1.4
83.66605	0.6
85.02840	3.2
87.00774	0.7
88.98694	1.6
89.02328	5.5
89.03866	0.7
91.01806	1.2
93.03358	0.8
95.01298	1.2
96.99215	1.7
98.19839	1.2
99.00769	1.2
101.02341	6.6
106.04207	0.6
107.34371	0.6
108.02067	3.2
109.02865	9.6
113.02354	4.3
115.00274	8.6
117.03372	1.2
119.03432	1.9
119.04948	2.4
119.22098	0.6
121.02883	3.3
122.03654	2.8
123.00814	0.7
123.04427	5.0
124.01582	2.5
129.03418	0.9
132.02092	1.1
133.02910	4.3
134.03665	81.5
135.04532	7.9
136.01599	3.1
136.05229	4.8
137.02357	2.3
138.03210	0.9
145.02910	1.8
146.03664	5.4
147.04451	26.8
148.05257	3.4
149.06018	34.9
150.03154	1.4
150.06377	1.7
151.03928	2.4
153.05516	1.7
158.03665	3.4
159.04465	9.3
160.05214	3.6
161.06021	3.5
162.06816	0.9
163.03963	1.8
164.04771	4.5
165.05476	0.9
173.06055	2.8
175.03937	0.8
175.07614	2.5
176.90495	0.8
177.05528	1.4
178.02663	4.8
179.03450	0.9
179.05589	0.6
187.04102	0.7
192.04254	7.9
193.05037	51.7
194.05411	2.7
195.06575	3.6
199.64781	0.6
201.15024	1.8
212.04810	0.7
213.05626	0.7
223.07729	1.2
225.05515	0.8
226.06364	1.1
227.07028	1.2
237.05582	1.1
238.06364	0.8
239.07191	1.3
240.04332	5.8
241.05066	4.1
241.08757	2.6
243.33241	0.7
249.05551	0.9
250.06456	0.8
251.07132	3.3
252.07932	4.1
253.05037	2.8
254.05916	3.7
255.06667	12.6
256.07370	3.7
266.05811	1.8
267.06699	4.8
268.07474	18.5
269.08218	22.6
269.12646	0.9
270.08960	11.8
271.09650	3.1
272.07077	3.2
272.09561	0.7
280.07498	0.8
281.08270	3.5
282.08945	3.9
283.09787	25.2
284.10571	23.2
285.11084	2.6
295.06232	1.7
295.09854	0.7
297.11365	11.8
298.08783	1.4
298.12091	5.5
299.09305	1.5
299.12964	7.8
310.08524	3.1
313.10895	4.1
325.10925	2.1
328.09384	0.7
335.17075	0.8
343.11853	1.5
354.07587	0.8
359.28040	2.0
369.09760	1.1
373.26089	0.7
387.10919	19.5
388.11160	1.4
449.18158	1.9
465.15588	1.2
521.33447	26.6
522.33630	1.1
537.17645	2.2
581.16766	100.0
582.17041	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	581.1314
Annotation	Bulbineloneside D
Peak:m/z	Relative Intensity
50.55317	0.4
51.51462	0.4
57.03336	1.0
58.84053	0.3
59.01271	1.8
61.98718	3.1
63.02285	4.9
64.02654	0.4
65.00211	5.7
71.01269	0.6
72.08686	0.4
75.00760	2.8
83.01270	5.5
85.02876	0.4
89.02350	0.6
92.69420	0.5
95.01289	0.8
98.20581	0.8
101.02348	0.8
107.01288	13.4
108.02133	0.7
109.02879	0.5
113.02354	0.4
114.89439	0.4
123.00803	0.5
124.01588	5.0
125.02369	3.8
135.00797	0.5
137.02400	1.3
149.02336	0.5
151.00307	37.2
152.01109	10.5
153.01926	1.0
159.04471	1.0
161.02451	0.6
163.00351	0.8
164.01097	0.5
164.60945	0.4
165.01923	0.4
169.01407	3.7
174.03278	0.5
176.01080	3.4
177.01884	2.7
178.99826	24.9
180.00179	1.0
183.04588	0.5
183.10297	0.8
185.05978	0.8
187.03941	1.1
189.01840	0.5
192.00612	2.4
193.01401	7.3
197.06047	1.2
198.06844	0.7
199.03746	0.9
199.07658	1.0
201.05490	0.5
203.03500	0.5
205.01416	5.3
206.02065	0.9
209.06145	1.4
211.04048	1.0
212.04816	1.3
213.01950	0.5
213.05594	1.5
214.02686	1.6
215.03517	0.6
215.26808	0.4
219.02980	0.9
224.04773	0.5
225.05542	5.5
226.06282	2.2
227.03578	2.7
227.07068	5.9
228.04100	0.8
229.05096	0.9
230.02151	0.5
233.00948	1.4
235.04048	1.1
236.04892	0.5
237.05634	1.8
238.06349	0.6
239.03522	0.8
239.07037	0.6
240.04291	0.7
241.05090	2.0
243.02948	0.4
245.00967	1.2
249.05515	0.5
253.05064	5.1
254.05872	5.1
255.06674	6.7
256.07007	1.0
259.02512	0.7
263.03531	0.7
264.04257	0.8
265.05054	1.0
267.06726	0.7
267.70575	0.4
275.07092	0.6
277.04865	0.6
280.03928	0.6
281.04587	2.3
281.07443	0.5
282.05402	1.2
283.06213	2.0
291.06635	0.7
293.04794	0.6
303.06863	0.6
309.04150	1.1
317.04626	0.5
317.08401	0.5
319.02499	0.5
320.03268	0.5
321.04135	0.6
321.07697	0.6
322.04871	0.7
323.05789	0.4
331.06351	1.0
332.07004	1.0
333.07800	1.0
335.05710	0.6
337.03622	2.3
338.04529	0.5
343.06125	0.5
349.03571	0.6
349.07416	0.5
351.05255	0.4
359.05765	1.2
359.28131	1.0
360.06494	1.3
361.07181	1.9
365.02991	2.6
366.03833	3.6
371.05740	1.2
372.06195	0.5
375.05069	2.6
376.02121	0.6
377.06842	1.2
378.07468	2.5
379.04630	1.6
379.08688	0.6
387.05139	1.1
388.06030	1.6
389.06741	31.9
390.07260	4.1
391.04507	2.5
391.09058	0.5
392.05048	0.7
393.02451	1.4
393.06802	2.0
394.03015	0.6
399.05060	0.5
405.06274	3.3
406.06985	10.9
407.07800	15.8
408.08414	2.0
416.05545	2.6
417.06284	12.9
418.06561	1.6
433.05902	0.5
434.06503	14.1
435.07285	67.3
436.07700	9.1
489.23715	0.9
553.13873	1.0
581.13116	100.0
582.13483	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	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66524	0.2
59.01263	15.8
61.98716	6.5
63.99138	0.7
65.09927	0.2
71.08262	0.6
78.52776	0.2
78.95788	5.6
80.69449	0.2
80.96407	1.1
85.56643	0.2
92.78551	0.2
96.95914	1.5
128.05501	0.2
136.04968	0.2
152.99512	1.2
164.90839	0.2
164.98584	0.2
168.04263	1.2
179.80353	0.2
189.90308	0.2
224.06944	1.2
225.00883	0.2
241.45592	0.2
242.08041	2.3
281.24902	100.0
282.25259	9.5
435.12164	0.2
506.32614	37.5
507.33002	4.8
521.28876	0.2
542.56622	0.2
580.28827	1.7
581.18628	0.3
581.27832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	22.8
60.56691	0.5
61.98723	3.4
71.60487	0.7
73.10248	0.6
78.95800	25.4
96.95915	10.8
98.95465	0.8
113.45248	0.7
115.91975	0.6
119.04900	0.6
122.98436	0.7
147.65927	0.7
151.00266	0.7
152.99510	4.0
158.29631	0.5
168.04268	3.1
179.89015	0.8
196.89465	1.0
224.06960	8.6
242.08037	2.8
245.04582	0.8
255.23239	1.2
275.93878	0.7
281.24924	100.0
282.25250	8.8
325.85440	0.6
506.32620	73.1
507.32892	9.8
580.17291	0.8
581.18494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.7
59.01268	100.0
59.07185	1.2
59.25915	1.4
61.98720	51.2
67.40948	1.4
69.03335	1.4
71.01276	20.3
71.62685	2.5
72.99203	19.1
73.02837	7.2
75.00755	5.5
83.01276	7.0
85.02861	9.6
87.00762	2.3
88.98670	1.7
89.02322	7.7
91.10176	1.3
95.01289	2.8
96.95912	6.2
99.00804	1.4
101.02363	14.8
111.08086	2.3
113.02364	13.7
113.60165	1.3
114.64567	1.4
119.03394	4.0
119.04939	2.8
125.02387	2.3
129.48264	1.5
131.03432	1.8
143.03404	2.5
149.04453	1.4
151.00302	2.0
161.04512	7.0
167.68706	1.5
179.05614	1.6
191.01912	1.6
221.06744	2.7
221.86339	1.4
249.88554	1.3
269.04584	4.9
270.04913	4.3
271.05194	2.7
279.23352	12.0
297.24362	13.3
298.24747	1.4
357.26547	87.5
358.26859	12.0
417.09943	4.0
579.15826	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.6
57.03072	0.9
57.03321	5.1
58.00487	1.7
58.17244	0.8
59.01266	100.0
60.01594	2.2
61.01691	1.6
61.15782	0.8
61.98720	9.6
66.43712	0.8
69.03350	1.1
69.38388	2.0
69.38795	8.2
71.01270	38.1
72.32057	0.8
72.99200	4.7
73.02842	7.6
75.00754	3.8
81.03358	1.0
83.01273	4.5
83.04930	1.1
85.02844	16.5
87.00774	3.8
87.04414	1.1
88.98705	3.8
89.02338	32.0
93.03360	1.4
95.01297	3.2
96.95928	3.1
97.06454	1.8
99.00789	3.2
101.02348	27.0
107.01317	1.1
108.02077	3.4
109.02898	1.6
111.00756	1.2
113.02354	15.7
116.92777	1.6
117.03407	1.1
119.03423	13.1
119.04885	1.1
119.83652	0.8
120.02333	0.9
121.02890	1.2
123.04427	1.9
125.02378	3.7
125.09712	1.0
129.01920	1.2
131.03406	2.2
133.06549	1.6
134.03690	1.0
143.03462	3.7
149.02365	1.0
149.04443	1.5
152.01091	5.1
157.12250	1.0
160.05374	1.0
161.04510	7.0
167.03467	7.9
168.04092	0.9
169.01416	4.2
169.12399	1.1
171.13814	1.2
177.01747	0.9
179.05565	8.2
180.05881	0.9
183.13922	1.1
191.02017	1.2
209.02945	1.6
228.13655	0.9
229.17958	1.4
230.11261	0.9
241.05013	1.4
267.07526	1.1
268.03955	1.4
269.04623	6.4
269.08676	1.0
270.04956	3.6
271.05273	2.1
283.06192	1.7
290.63727	1.0
293.04974	1.0
295.06033	1.2
311.05850	1.2
321.24338	0.9
323.05228	1.1
357.26569	17.6
358.26959	2.3
375.27713	1.5
432.08942	0.9
433.09412	3.3
459.29620	2.6
475.29968	1.1
489.11993	1.1
519.31860	68.7
520.32141	12.2
537.33167	1.3
579.15936	15.0
579.33832	43.3
580.16992	1.8
580.34521	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	579.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38558	0.4
57.03320	1.7
58.00472	0.5
59.01263	7.4
61.98713	4.1
71.01271	2.8
71.04881	0.4
71.55709	0.8
72.99197	8.5
73.02837	1.1
75.00771	1.0
76.13483	0.4
83.01292	0.4
85.02839	1.6
89.02351	1.8
96.95923	0.8
101.02338	1.4
113.02320	1.1
116.82078	0.4
119.04968	0.8
125.05974	0.5
151.00311	0.7
177.18828	0.4
179.05592	0.6
190.02608	0.7
220.31815	0.4
267.23337	1.9
268.03967	0.5
269.04532	1.0
271.06192	0.6
327.25449	7.3
339.25519	3.0
344.25421	0.6
357.26523	100.0
358.26843	11.3
371.28043	0.7
417.09866	0.7
511.00888	0.5
519.31885	0.7
523.59521	0.5
531.54797	0.5
579.16357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81967	0.4
55.01770	0.6
57.03342	2.0
58.22658	0.4
59.01267	87.7
60.01637	0.4
61.98712	2.2
69.03344	2.6
69.31645	3.2
69.32069	1.0
71.01271	11.0
71.04935	0.6
72.99184	0.6
73.02834	6.0
75.00780	1.2
75.72704	0.4
83.01281	5.1
85.02834	4.4
85.06409	0.4
87.00806	0.5
89.02342	5.1
95.01295	1.3
99.00777	0.5
101.02341	9.1
101.03008	0.5
111.08054	1.2
113.02353	12.0
119.03443	2.4
123.41810	0.4
125.02399	0.7
131.03448	1.7
143.03432	1.1
149.04518	0.9
152.40520	0.4
161.04489	5.2
179.05608	1.0
185.15157	0.4
213.18602	1.9
221.06656	3.7
225.18559	0.7
249.22336	0.6
261.22189	0.4
269.04410	0.6
279.23361	17.7
280.23691	1.6
297.24399	13.1
298.24799	1.4
339.25479	1.7
357.26532	100.0
358.26883	11.4
363.25504	0.7
383.11346	0.6
399.27603	1.5
472.85547	0.4
506.60217	0.4
526.30872	0.4
579.16693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68522	0.8
59.01255	3.9
61.98711	3.3
63.96138	1.1
71.01270	8.5
71.27802	1.5
73.02850	1.1
78.95779	1.8
78.98489	7.4
79.95627	12.8
80.96411	69.2
85.02834	3.3
87.00776	3.1
92.02216	0.9
94.97991	18.6
96.95912	34.4
97.02871	1.5
99.00777	1.1
101.02354	3.3
106.97997	4.3
107.01292	1.7
116.89994	0.9
119.04958	1.7
122.97507	2.6
125.02387	4.4
134.97498	3.7
136.99084	1.7
148.99097	6.0
151.00310	4.6
152.98549	5.8
152.99545	0.9
164.98596	11.6
169.01430	0.8
206.99661	3.1
225.00751	16.7
245.04370	1.9
271.06094	2.3
272.42587	1.0
279.23270	2.7
281.24875	5.9
299.04486	2.4
343.01050	1.0
481.25723	2.1
506.32504	5.9
579.18396	3.8
579.28564	100.0
580.28851	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	579.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20023	0.1
55.01780	0.8
55.61082	0.2
57.03359	0.5
58.00482	0.2
58.70530	0.2
59.01266	10.1
60.01600	0.1
63.02277	2.6
64.02619	0.8
64.35763	0.5
64.36093	0.5
65.00191	1.3
71.01267	5.6
72.99226	0.6
73.02824	1.0
75.00763	4.0
75.01202	0.2
83.01284	1.5
85.02841	2.6
85.03291	0.2
87.00799	0.5
89.02335	3.4
93.03405	0.5
94.03741	0.2
95.01316	0.7
96.95964	0.2
97.02870	0.2
97.06535	0.2
98.55583	0.2
99.00782	0.3
99.04415	4.1
99.77486	0.1
100.04784	0.2
101.02340	3.1
101.02918	0.2
105.01871	0.2
105.03384	0.4
107.01305	2.5
108.00964	0.2
108.01591	1.0
109.01743	0.2
109.02902	0.2
111.04397	0.2
113.02352	2.5
117.03366	4.4
118.03703	2.2
118.04486	0.2
119.03341	0.8
119.37065	0.2
121.02906	0.4
125.02381	0.3
129.01878	0.8
135.04510	0.3
143.03415	0.3
143.87868	0.2
147.02950	0.6
148.01694	0.3
149.02403	1.2
149.99554	0.2
150.02771	0.6
151.00293	2.1
151.02913	0.2
152.00641	0.9
153.00812	0.5
158.32219	0.2
159.04456	1.5
160.04771	0.5
161.02423	1.1
161.04645	0.7
162.02754	0.6
163.02881	0.2
165.03992	6.4
169.01349	0.2
169.06540	0.5
170.06981	0.3
171.04514	0.6
172.05013	0.4
179.05598	0.3
181.06453	0.6
183.04468	0.7
184.04916	0.6
189.12819	1.1
195.04477	0.2
196.05206	0.8
197.06061	1.0
198.06303	0.4
199.03947	0.4
199.06694	0.3
200.04564	0.4
201.05516	0.7
202.05728	0.3
207.13889	5.1
208.14197	0.5
211.04053	0.9
212.04619	0.5
213.04947	0.4
224.04802	0.5
225.05540	1.1
226.05859	0.8
227.03468	0.7
227.06126	0.4
228.03870	0.4
239.03474	1.0
240.04128	2.5
241.04567	1.5
242.02519	0.2
242.04829	1.0
245.17580	0.5
251.12921	8.1
252.13297	0.5
267.03085	0.4
268.03818	20.9
269.04538	95.5
270.04865	80.8
271.05164	69.1
272.05453	3.9
284.03323	0.7
285.04123	2.3
286.04114	0.2
293.04535	0.2
294.04938	0.2
311.05627	0.3
313.06302	0.4
357.26514	0.3
373.08441	0.3
375.27917	0.2
399.16571	0.6
413.08838	0.2
414.08917	0.4
415.09692	1.0
417.15536	0.3
431.19299	7.5
432.19714	1.0
433.10254	0.3
519.24573	0.7
519.31909	3.7
520.32098	0.4
537.33002	0.9
578.15900	0.5
579.16083	100.0
580.16290	11.3
580.23248	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	579.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
59.39346	0.9
61.06707	0.9
61.98713	4.6
65.07603	0.9
71.01282	2.3
71.41059	2.1
79.95621	2.3
80.96407	14.4
80.98036	1.1
81.95201	1.2
82.95986	10.1
82.96842	1.1
91.41451	0.9
94.97972	3.1
96.95932	1.3
96.97527	2.2
107.01292	1.6
109.02826	1.1
110.27118	0.9
119.04929	1.1
123.06776	0.9
125.02330	1.9
135.04448	0.9
149.06050	5.7
151.00316	5.5
164.98596	1.4
173.06029	4.3
213.09204	3.3
225.00690	1.9
227.00270	2.0
270.04904	1.3
271.06049	3.9
291.10217	4.7
319.06094	2.6
319.09784	29.6
320.10342	5.7
321.11017	1.4
329.08362	1.7
330.09021	1.5
331.09894	1.5
333.07727	1.6
335.09323	3.8
336.10165	7.4
337.10889	55.9
338.11285	5.5
343.09833	2.4
345.11111	1.4
347.09323	2.5
358.08405	1.5
359.09729	1.2
371.08932	2.2
372.10196	1.0
389.10391	2.9
395.12891	2.0
397.10776	1.1
403.15640	1.9
411.12497	2.6
413.14246	1.4
431.14923	2.3
442.69196	1.1
456.08450	1.2
459.11716	1.9
479.11496	4.9
491.11130	1.2
497.12640	2.1
520.15497	6.2
521.16132	1.7
523.14172	1.9
538.16864	2.1
561.19257	11.4
562.19489	1.8
578.27686	5.5
579.20123	100.0
579.27655	18.2
580.20514	22.2
580.27960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16996	0.4
54.20385	0.4
59.01258	1.3
61.98706	1.6
67.23042	0.4
70.43287	0.9
70.43636	1.4
78.95802	1.4
80.31643	0.4
80.52550	0.5
91.84789	0.4
96.95908	0.9
98.82989	0.5
109.02847	0.8
119.04947	0.8
144.92860	0.4
147.04471	0.9
148.05229	4.0
149.06049	2.7
151.00275	0.6
152.99506	2.3
159.04395	0.6
174.03143	0.5
175.26900	0.4
195.98927	0.5
196.05205	0.7
199.03893	0.8
201.05511	0.9
212.04718	0.8
213.05518	1.8
214.06342	9.0
215.07117	3.2
227.39613	0.5
255.10300	2.1
263.20322	0.9
269.04504	1.3
270.04855	0.6
271.06070	0.6
288.07724	0.5
289.04608	0.7
291.06744	0.8
291.10303	1.3
293.04794	0.7
296.07047	0.6
301.05054	0.8
303.03052	0.6
303.06384	1.0
305.04428	1.0
308.03235	0.9
309.07819	0.6
316.03821	1.0
317.04623	1.4
317.08087	0.9
318.08783	0.6
319.02478	1.3
319.06171	1.3
319.09741	7.8
320.03348	5.8
320.06888	0.8
320.10489	1.8
321.07785	0.9
323.09494	0.5
329.04550	0.8
329.08313	0.8
330.05304	1.0
331.06140	2.8
331.09686	0.8
332.03207	0.6
332.06799	1.4
333.04260	5.1
333.07800	0.9
334.04684	2.0
335.09238	0.9
336.10135	2.9
337.10889	17.2
338.11182	1.8
343.05869	0.7
343.09802	1.0
344.10486	1.0
345.11264	0.6
346.08588	0.6
347.05679	8.4
347.09448	0.8
348.06430	3.7
349.07275	14.6
350.07669	1.6
353.08737	0.6
355.09732	0.7
357.07764	1.8
360.09888	0.5
361.11136	0.9
362.07993	0.9
371.09354	3.5
372.10162	3.5
373.10956	2.7
374.07776	0.8
375.08807	4.1
376.09467	0.7
389.10373	28.3
390.11029	8.4
391.11813	1.6
395.13025	0.7
403.15729	2.1
405.19028	0.5
429.13736	0.8
485.16315	0.8
503.42099	0.6
517.19507	0.6
574.72217	0.6
579.20343	100.0
580.20734	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85689	1.5
55.01748	2.1
57.03336	10.3
59.01260	10.4
68.99676	1.5
71.01270	16.7
72.99183	4.4
75.00751	6.2
78.77117	1.4
84.02052	2.4
85.02842	100.0
86.03181	2.0
86.76698	1.4
87.00773	14.8
89.02325	5.7
90.87297	1.4
95.69080	1.4
96.95903	8.4
103.00274	2.7
111.00742	1.8
115.00266	2.6
115.07304	1.3
123.00782	1.7
123.04488	1.7
124.01583	2.4
129.01875	11.0
133.01331	5.3
134.03629	6.0
139.03934	4.8
147.02911	7.5
149.04524	1.5
159.04413	1.9
191.01952	47.7
193.04955	3.6
209.03012	91.6
210.03397	2.3
225.16219	1.6
229.58334	1.4
237.06171	14.5
238.75732	1.6
266.97852	1.5
267.06992	1.8
315.42004	1.4
387.10986	13.4
439.07565	1.5
579.13922	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	579.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39369	0.6
50.73437	0.7
57.64598	0.6
59.01258	2.2
59.79710	0.6
61.98715	5.0
65.00219	1.0
71.36028	0.8
71.36370	0.9
83.43645	0.6
88.09527	0.7
96.95935	1.2
119.04984	1.7
126.73122	0.6
149.06050	3.6
151.00293	2.5
159.04433	0.9
161.00259	0.7
173.06017	3.4
189.47218	0.7
194.78969	0.7
197.05896	0.9
213.09230	2.8
222.06914	0.8
269.04526	1.4
270.04944	0.9
271.06046	2.1
279.06580	1.1
289.05222	0.9
290.09473	0.7
291.07440	0.8
291.10242	5.0
293.08163	0.8
317.07855	0.7
319.06174	1.2
319.09821	25.7
320.10361	5.8
321.07751	1.4
329.08237	0.8
335.09421	1.8
336.10107	7.0
337.10886	51.7
338.11276	5.6
347.09503	1.2
357.11337	0.9
363.40948	0.7
383.13071	1.4
389.10327	2.9
395.13010	1.1
411.12415	2.1
412.13037	1.8
413.14032	1.3
431.15073	14.1
432.15448	2.2
456.08728	1.1
497.12564	2.2
516.11670	2.5
561.19769	1.4
579.20404	100.0
580.20654	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	579.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68818	0.6
59.01252	1.2
61.98709	1.8
70.78558	1.7
96.95863	0.9
135.04413	0.9
148.05258	3.4
149.06009	6.3
151.00333	0.5
153.65584	0.6
158.59685	0.5
159.04521	0.7
174.09044	0.6
213.05531	1.6
214.06364	7.0
215.07103	4.0
239.22717	0.6
255.10315	4.0
269.04672	0.8
279.06696	1.0
291.10355	1.7
293.08200	0.8
296.06799	0.8
297.07626	0.7
301.05029	0.6
302.09918	0.6
303.06760	1.1
305.04593	1.1
307.05988	0.7
312.80725	0.6
316.03873	0.8
317.04608	1.6
319.02390	1.6
319.06195	1.2
319.09766	9.0
320.03311	3.7
320.10422	1.1
321.03891	0.9
329.08063	0.9
331.06104	2.0
332.06763	1.1
333.04080	3.9
333.07697	1.3
334.04767	1.6
336.09811	2.7
337.10870	17.8
338.11240	2.0
343.09912	1.0
345.07544	0.8
346.08606	0.8
347.05612	5.6
347.09546	1.5
348.06458	3.6
349.07239	11.8
350.07623	1.4
354.08762	0.7
357.07791	1.5
361.07202	2.0
361.11237	0.7
362.07782	1.1
371.09485	1.8
372.10101	3.0
373.10739	2.1
375.08569	2.9
388.09473	0.9
389.10394	19.6
390.10956	6.6
391.11749	1.6
403.15564	1.1
429.13528	0.8
431.15146	1.4
485.16058	1.7
494.44220	0.7
513.11053	0.7
579.20349	100.0
580.20697	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21673	0.6
57.03326	3.7
59.01264	6.0
61.98720	8.4
69.74332	2.0
69.74740	2.0
71.01263	4.9
72.99182	0.9
73.02827	1.0
75.00753	1.1
83.01261	1.2
83.05165	0.6
84.02048	0.9
85.02843	22.5
89.02335	2.6
96.95917	1.6
96.99210	0.8
101.02330	1.5
109.02863	4.8
121.02872	1.3
123.00760	0.7
123.04441	1.8
125.02248	0.6
129.01875	4.3
132.02066	0.9
133.02875	17.5
134.03703	4.1
135.04477	3.4
137.02348	1.2
146.03638	1.9
147.02972	3.5
147.04457	1.6
149.02379	2.1
149.04517	1.6
149.05998	1.5
151.03902	2.1
158.03690	1.2
159.04448	2.1
161.02376	2.2
161.05983	1.8
162.03139	0.7
163.00365	0.8
163.03865	2.0
165.01836	0.8
173.02385	0.8
173.06067	0.7
174.03098	1.1
175.04012	4.8
177.01901	3.6
177.05484	2.0
178.02640	1.1
179.03494	1.5
187.03951	1.1
189.01942	1.5
189.05582	2.3
190.02589	0.9
191.01933	13.5
191.03474	1.2
193.05025	2.1
199.04012	0.9
201.01895	1.8
203.03462	3.1
205.01395	2.5
205.05037	1.7
207.02951	0.9
207.10223	0.8
209.03000	8.4
211.04123	0.9
213.05540	1.8
215.03465	1.1
217.04982	1.3
217.67513	0.7
221.04536	1.3
223.69882	0.6
225.05510	0.8
226.06161	0.8
227.03459	0.8
229.05130	0.8
233.04559	1.1
235.02458	1.2
237.05609	1.0
239.06958	0.9
241.05145	1.7
245.04614	1.5
253.05040	1.0
254.05887	1.2
255.06927	0.9
265.05051	1.0
266.05817	1.6
267.06696	2.6
269.04666	0.9
270.05066	0.8
271.06091	0.9
279.06531	1.0
281.04636	0.7
281.08258	2.0
282.05499	1.4
282.08633	0.9
283.06097	3.0
284.06665	1.4
293.04874	0.8
295.06091	2.0
296.06915	0.8
297.04071	5.7
297.07123	1.1
298.04855	14.6
299.05515	7.1
300.06036	0.8
309.04099	2.1
310.04840	2.0
310.08368	1.1
311.05673	14.8
312.06482	16.6
313.07208	17.6
313.10925	0.9
314.07498	1.1
323.05804	3.9
324.06125	1.0
325.07202	3.4
327.05185	9.0
330.03799	1.2
337.03729	1.1
338.04077	0.8
339.05151	20.4
339.55569	0.8
340.05576	2.1
341.06696	9.9
344.05368	2.2
351.05106	2.7
353.06729	5.9
354.06958	1.1
357.06323	3.7
367.04572	1.2
369.06204	56.4
370.06665	6.4
371.07666	2.5
381.06250	10.1
382.06693	1.4
383.07828	1.8
387.10901	14.1
388.11288	1.0
393.06412	0.9
395.07855	1.2
397.05496	1.4
399.07281	46.0
400.07620	5.1
411.07166	5.1
412.07343	1.1
423.07120	1.1
429.08325	10.2
430.08551	0.9
441.08374	7.7
442.08591	1.5
447.18649	1.0
459.09406	40.2
460.09747	5.7
471.09256	1.8
489.10452	15.7
490.10742	2.0
519.11603	2.0
561.12323	3.4
579.13647	100.0
580.13928	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	579.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95832	0.5
55.01759	1.7
57.03339	14.1
58.00468	0.6
59.01265	8.9
59.53474	0.5
65.00191	0.8
68.99712	1.0
71.01272	5.8
71.14658	1.3
72.99197	2.6
73.02840	0.6
75.00759	5.0
83.01273	2.0
84.02074	3.0
85.02842	77.6
86.03188	2.1
87.00770	1.9
89.02330	1.7
89.03877	0.7
91.01791	3.3
96.99209	5.1
99.00782	0.9
101.02367	1.6
103.00273	1.5
108.02064	1.3
109.02876	3.5
111.00802	1.2
115.00284	3.1
117.03371	2.2
121.02863	1.3
123.04434	8.4
124.01543	0.8
129.01869	14.8
133.02905	0.9
134.03658	22.8
137.02371	1.4
145.02873	3.7
146.03658	8.1
147.02914	6.6
147.04402	2.7
148.05214	1.0
149.02357	0.7
149.04475	1.1
149.06006	2.1
150.03168	1.0
158.03673	7.8
159.04463	16.1
160.01674	1.2
160.04807	0.7
161.02328	0.7
161.06007	4.7
163.02708	0.6
163.03902	3.2
173.00821	1.6
173.06039	7.2
174.03160	1.1
175.03949	2.1
177.01964	1.1
178.02631	3.2
187.04034	1.2
191.01947	56.7
192.02267	1.6
193.05025	13.1
205.01456	0.6
207.03056	0.8
209.02974	6.2
219.02983	0.6
233.04710	0.6
239.07063	0.8
241.05077	1.8
253.05106	0.7
256.07510	1.5
262.51297	0.9
266.05814	2.9
267.06674	4.8
268.07486	1.5
269.08160	1.2
271.09799	2.7
277.05145	0.8
280.07388	1.3
281.04980	1.1
281.08246	10.5
282.05984	0.7
282.08899	5.2
283.09772	2.8
284.10654	4.1
285.10947	0.6
293.08279	0.7
295.06226	11.3
296.06729	1.0
298.04678	2.8
299.05658	0.7
309.07751	1.3
310.08511	13.8
311.08978	1.5
313.03638	1.4
313.07062	0.6
325.10880	10.8
326.04285	0.9
327.05103	1.2
339.05078	1.6
354.07474	3.2
369.05997	2.6
369.10092	4.5
370.10501	0.9
387.10941	100.0
388.11273	12.0
399.07269	2.6
429.08582	0.9
443.38605	0.7
459.09286	2.8
489.10345	1.0
561.12726	0.7
579.13684	11.2
580.14044	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	579.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.4
59.01263	3.9
61.98421	0.9
61.98718	13.0
69.70150	2.4
69.70565	1.1
71.01258	3.1
73.87439	0.4
75.00764	0.9
83.01280	1.0
85.02846	12.7
87.00779	0.8
89.02332	2.2
97.02859	0.5
101.02343	1.2
101.19344	0.6
109.02835	3.0
111.00799	0.6
113.02339	0.6
121.02871	0.7
123.04437	1.2
127.63836	0.5
129.01860	2.6
133.02873	10.7
134.03722	2.7
135.04428	2.1
137.97432	0.6
147.02986	2.8
147.04474	1.2
149.02385	1.4
149.04491	3.0
150.03159	0.9
159.04420	1.1
161.02348	1.3
161.06102	0.6
163.00366	0.8
163.03889	1.9
175.03990	2.9
175.12602	0.5
176.04460	0.6
177.01915	1.8
177.05518	1.7
179.03453	1.2
191.01918	9.4
191.03517	0.6
193.04948	0.6
199.03896	0.7
201.01894	0.8
202.02596	0.7
203.03485	2.1
205.01379	0.7
205.05101	0.9
209.03050	4.2
213.05511	0.9
223.13391	0.7
227.03624	0.6
241.04941	0.9
245.04636	0.8
253.05045	1.1
254.05606	0.7
265.05203	0.7
267.06586	1.3
269.04590	1.2
281.04562	0.6
283.06134	1.3
285.03909	1.1
295.06091	1.3
297.04224	2.7
298.04843	7.6
299.05539	3.9
309.03943	1.1
310.04828	1.4
310.08224	1.1
311.05695	7.6
312.06445	9.1
313.07150	9.4
314.07422	1.0
323.05630	1.5
324.06439	0.7
325.03513	0.7
325.07236	1.8
327.05215	3.9
328.05383	0.8
339.05109	10.4
340.05487	1.5
341.06741	5.3
342.07144	0.8
344.05444	0.8
351.05103	0.9
353.06616	2.8
357.06229	1.9
369.06201	27.8
370.06451	3.9
371.07806	0.7
381.06143	4.3
383.08026	0.6
387.10980	9.4
388.11337	0.9
395.07565	1.0
399.07303	24.9
400.07599	2.9
411.07352	2.6
423.07376	1.0
429.08405	5.0
430.08670	0.7
441.08282	3.7
459.09445	29.3
460.09900	3.4
471.09512	1.3
489.10480	13.3
490.10452	1.3
519.11566	1.6
561.12775	2.1
579.13684	100.0
580.13989	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	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	20.6
60.01596	0.4
60.79070	0.3
61.68921	0.3
61.98731	1.4
70.20148	1.2
78.06638	0.2
78.95795	19.7
80.96408	0.4
91.79763	0.3
96.96848	0.4
107.19135	0.3
122.98424	0.6
132.19525	0.3
149.30414	0.4
151.00238	0.7
152.99515	3.7
153.58611	0.3
168.04245	3.0
194.35739	0.3
224.06947	8.8
225.07210	0.4
242.08022	2.5
261.22382	0.5
269.04443	1.2
270.04959	1.0
279.23346	100.0
280.23676	9.8
297.50549	0.3
331.72995	0.3
378.59805	0.3
405.24091	0.3
409.76169	0.3
504.31079	73.1
505.31412	11.1
505.39017	0.5
578.16388	1.1
578.27472	0.6
579.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85044	0.8
55.01770	1.9
57.03336	12.0
59.01263	9.6
60.48013	0.8
61.98727	0.9
65.00245	0.9
67.04507	0.8
70.74564	1.6
70.74939	1.7
71.01280	10.6
72.99194	2.8
75.00758	4.4
79.01772	1.1
83.01237	2.0
84.02061	1.9
85.02844	77.7
86.03192	1.7
87.00782	2.8
89.02340	2.9
91.01800	2.3
93.03350	2.7
95.01300	0.9
96.99216	3.6
97.56997	0.9
99.00772	0.9
101.02356	2.5
103.00307	1.6
107.04957	1.0
108.02064	1.7
109.02863	4.8
111.00790	1.7
113.02358	1.5
115.00287	2.4
117.03387	5.7
119.04978	1.9
121.02847	1.7
123.00791	1.5
123.04443	5.9
124.01569	1.1
125.02403	1.2
129.01866	14.1
133.01353	1.5
133.02858	4.3
134.03668	13.3
135.04475	2.2
137.02383	2.8
143.01237	0.8
145.02933	2.3
146.03656	4.7
147.02937	7.8
147.04434	2.8
148.01584	0.9
149.02405	2.8
149.04613	1.0
149.06003	2.7
151.00291	3.0
151.03964	1.7
158.03688	5.4
159.04463	9.9
161.02405	2.1
161.06041	2.4
161.31342	0.9
163.00311	1.1
163.03955	2.7
165.01851	2.7
167.03473	1.1
173.00926	1.5
173.02380	0.9
173.06006	4.3
175.03976	2.9
177.01884	3.6
177.04059	1.1
178.02657	2.1
178.99947	0.9
179.03482	2.4
180.00607	1.9
187.03986	1.6
191.01953	72.0
191.03375	2.9
192.02269	3.5
193.01384	1.9
193.05031	8.6
195.02896	1.5
197.06024	1.2
201.01987	0.9
205.01472	1.5
206.02263	1.3
207.02917	3.0
209.03012	49.0
210.03323	1.9
210.26129	0.9
211.03960	1.8
219.02988	3.7
220.03773	1.9
220.05814	1.1
221.04541	1.1
225.05768	1.0
231.03178	1.2
233.04587	1.1
235.02498	1.3
237.05719	1.2
241.05124	3.8
243.02959	0.8
247.02589	1.3
249.04111	3.2
253.05058	2.9
255.06645	1.3
265.05176	1.0
266.05945	1.8
267.06717	4.1
268.07382	1.4
269.04544	2.4
270.05206	0.9
271.09808	2.3
279.05356	2.2
279.37668	0.8
281.04639	5.5
281.08221	6.8
282.05197	1.1
282.09018	3.4
283.06198	2.7
283.09784	2.2
284.03290	2.0
284.10611	2.8
285.04044	5.2
285.06903	1.0
291.05225	1.4
295.06207	8.9
297.03949	4.5
298.04880	22.6
299.05573	5.4
309.07480	0.8
310.04944	1.6
310.08447	8.7
311.05713	3.6
312.06427	2.3
313.03625	13.2
313.07214	3.4
323.05789	1.7
325.03781	1.0
325.07416	1.5
325.10873	4.9
326.04495	7.6
327.04919	13.2
328.05670	1.6
330.03949	3.1
339.05176	6.4
341.06659	3.1
343.11969	1.0
351.05237	1.9
353.06882	1.8
354.07541	2.1
356.05484	1.2
357.06375	2.7
369.06155	16.5
369.09857	1.8
370.06415	2.6
371.07623	1.1
381.06247	3.1
382.85889	1.0
383.07587	1.4
387.10938	100.0
388.11252	12.7
399.07339	14.5
400.07535	1.2
411.07346	2.3
416.07428	5.5
417.07910	1.1
429.08194	3.0
441.08493	1.5
446.08542	3.4
447.09344	1.7
447.18967	2.1
459.09433	34.9
460.09509	5.0
489.10712	10.3
489.18192	1.1
519.11578	2.2
519.24457	1.1
561.12488	3.3
579.13721	65.3
579.22211	2.8
580.14038	10.1
580.22888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	16.2
60.01613	0.2
70.68398	0.2
70.68757	0.4
71.01280	0.2
78.73334	0.1
78.95798	5.9
78.98471	0.2
79.95625	0.3
80.96410	2.6
82.95978	0.2
94.97994	0.6
98.99214	0.1
136.84090	0.1
138.44366	0.1
151.00284	0.2
152.98505	0.2
152.99542	1.3
164.98573	0.3
168.04294	1.7
224.06950	1.1
225.00766	0.5
226.00966	0.2
242.08023	2.5
243.30559	0.2
261.22293	0.4
269.04565	0.4
270.04968	0.5
279.23355	100.0
280.23694	9.8
427.46118	0.2
504.31094	36.4
505.31421	5.6
519.28345	0.2
578.16504	0.7
578.27380	3.7
578.36267	0.3
579.17969	0.3
579.27155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33006	0.2
59.01258	0.9
60.01609	0.2
61.60751	0.2
61.98718	100.0
69.31856	1.9
71.01279	0.3
78.95807	0.4
78.98444	0.2
79.95628	0.4
80.96399	2.0
89.02374	0.2
91.48726	0.2
94.98003	0.5
96.95908	3.1
98.19783	0.3
98.26141	0.2
101.02449	0.2
122.40099	0.2
125.02359	0.3
128.05908	0.2
132.21471	0.2
142.92229	0.2
148.99097	0.2
151.00337	0.6
164.98619	0.2
173.36859	0.2
209.11926	0.2
210.84898	0.2
225.00761	0.4
245.04507	0.3
253.09354	0.3
255.09825	0.4
269.04587	1.0
270.05063	0.7
271.06180	0.4
279.23383	1.9
280.23682	2.6
281.24005	1.8
282.24292	1.1
343.00940	0.3
373.02200	0.2
463.79053	0.2
481.25989	0.2
578.16522	0.8
579.18945	0.5
579.28412	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	577.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	15.8
61.98712	0.9
70.77010	0.5
70.77334	1.7
71.01253	2.4
73.02827	1.0
89.02330	1.7
99.20080	0.6
101.02361	2.9
113.02331	0.9
135.23370	0.5
161.04485	1.1
167.23117	0.7
198.53139	0.6
214.02974	0.7
235.08252	0.9
253.09288	12.3
256.46826	0.6
268.03772	2.5
269.04578	12.2
270.04868	1.0
281.24905	100.0
282.25241	9.5
293.04596	1.0
413.08578	0.9
414.09036	0.7
517.33850	0.7
560.09473	0.6
577.15790	10.1
578.16003	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	578.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03333	2.4
58.00477	3.1
59.01266	76.4
61.98714	11.2
63.86060	1.0
64.74162	1.0
69.03339	6.8
69.44922	4.4
69.45358	4.5
71.01271	80.4
72.99198	4.8
73.02841	8.6
75.00759	3.1
78.25390	1.0
78.29211	1.2
81.03356	3.6
83.01263	4.9
85.02850	17.3
87.00773	3.6
89.02338	71.0
91.23305	0.9
93.03366	5.9
95.01279	2.1
97.02855	7.7
98.20522	1.8
99.00774	2.8
101.02347	20.8
101.71194	1.2
110.70932	1.0
113.02349	18.5
119.03419	3.8
121.02797	1.1
123.00913	1.0
125.02373	25.8
127.03966	1.1
131.03435	18.6
135.17123	0.9
143.03426	4.0
149.04498	27.8
151.34647	1.1
159.02948	1.2
159.04430	2.2
161.04529	11.3
169.06538	1.2
171.68723	1.0
188.05602	3.0
191.05605	6.8
208.99516	1.2
223.06340	5.4
227.07071	3.3
233.06750	6.6
241.92610	1.0
248.04553	0.9
267.06705	3.9
268.03857	2.6
269.04517	10.6
270.05035	9.4
274.49203	1.0
275.07379	1.0
281.08173	3.0
293.08847	100.0
294.05280	1.2
294.09198	6.6
323.09192	2.4
355.24954	2.1
357.26529	2.3
386.12540	2.4
449.29077	1.4
518.16748	8.0
519.17041	1.2
519.31891	2.6
534.33118	1.9
577.31329	4.3
578.15869	9.4
578.31055	4.6
579.15674	1.9
579.30707	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	577.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82661	0.1
53.96553	0.1
55.01773	0.8
57.03338	1.3
58.00493	0.4
59.01266	100.0
60.01596	0.9
61.44542	0.1
61.98720	0.7
63.02291	0.1
63.12053	0.1
65.00219	0.2
69.03345	0.4
71.01270	11.0
71.04907	0.4
72.99199	0.9
73.02840	3.8
75.00757	0.9
78.64067	0.1
81.03385	0.2
83.01279	1.9
85.02848	5.7
86.00005	0.3
87.00780	1.0
89.02338	3.5
95.01282	1.1
96.95895	0.7
97.02852	0.3
97.06545	0.2
98.95506	0.3
99.00780	1.6
101.02351	8.1
111.00812	0.4
111.08088	0.3
113.02357	5.2
116.92808	0.2
117.03352	0.9
119.03427	1.0
119.04934	0.1
124.94427	0.1
125.02354	0.4
129.01840	0.3
131.01360	0.2
131.03421	0.2
134.03731	0.2
139.07576	0.2
143.03430	0.4
147.04494	0.2
149.02409	0.3
149.04515	0.1
151.00340	0.3
159.02942	0.5
159.04259	0.2
161.02451	0.2
161.04491	1.1
163.03909	0.2
171.10211	0.2
173.02414	0.4
173.06012	0.2
175.00314	0.6
196.93117	0.1
201.05652	0.2
207.17668	0.1
211.13354	0.3
214.20277	0.1
229.14525	0.3
240.04253	0.3
247.20770	0.4
249.06094	0.3
263.20273	0.5
265.21741	0.4
268.03827	5.1
269.04602	12.7
270.04898	1.1
270.62958	0.1
277.21811	0.2
283.06171	3.8
284.06570	0.3
286.08603	0.5
293.04623	6.1
294.04935	0.6
295.22861	2.5
296.23257	0.2
311.05646	0.9
311.26108	0.2
313.20786	0.2
313.23877	0.8
323.05548	0.2
327.21887	0.5
355.15756	1.2
355.24924	0.8
356.15988	0.2
373.26093	0.2
413.08875	3.0
414.09399	0.5
439.27005	1.1
457.10715	0.4
457.28204	2.7
458.28564	0.2
474.31305	0.2
475.29126	1.4
517.30408	1.5
535.31305	1.2
559.31531	0.6
577.15979	8.5
577.32458	98.9
578.16187	1.7
578.32800	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	577.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03337	1.3
58.00484	0.5
59.01263	100.0
59.22453	0.3
60.01596	1.2
61.98717	20.1
63.02278	0.4
63.12938	0.3
65.00227	0.3
69.03355	0.7
69.30521	2.6
69.30925	0.7
71.01269	12.7
71.04913	0.4
72.99197	1.7
73.02839	4.2
75.00769	4.3
83.01287	2.9
83.04919	0.4
85.02842	6.5
86.00010	0.4
87.00761	1.5
88.76531	0.3
89.02337	3.3
93.03368	1.0
95.01293	1.2
96.95933	1.6
97.02856	0.7
97.06510	0.3
98.20596	0.6
98.95504	0.3
99.00800	2.2
101.02345	9.6
103.03849	0.3
107.01324	0.6
109.02854	0.3
111.00802	1.0
111.08083	0.4
113.02346	5.8
115.54047	0.3
117.03372	1.2
119.03415	0.7
119.04936	0.4
121.02891	0.9
121.23999	0.3
123.08105	0.6
124.01578	0.4
125.02384	1.4
129.01849	0.7
131.03435	1.0
135.04419	0.3
137.02376	2.8
143.03467	0.7
149.02373	0.7
149.04546	0.7
149.06056	0.4
151.00356	0.7
159.02969	1.1
159.04483	0.4
160.04027	1.2
161.04520	2.1
165.05493	0.3
167.03545	0.3
175.00418	0.5
197.06096	0.4
199.16985	0.3
201.14973	0.3
213.18614	0.5
225.05611	0.3
227.03601	0.4
239.03513	0.5
240.04375	0.9
243.19727	1.1
249.06357	0.7
268.03818	9.4
269.04593	42.6
270.04929	4.2
277.21899	1.1
283.06400	0.5
293.04691	3.7
293.08948	0.9
294.05127	0.4
295.22888	0.6
311.05777	1.0
311.25967	0.4
313.24118	0.6
343.86298	0.4
355.10938	0.5
355.25000	2.2
371.10007	0.7
373.26370	0.6
387.23932	0.4
399.23871	0.5
405.25119	0.8
411.44305	0.3
413.08987	1.6
417.25143	0.7
421.26120	0.8
431.08340	0.5
439.27109	4.4
440.27527	0.7
447.73929	0.3
457.09671	0.4
457.28137	4.4
458.28357	0.7
473.31573	0.6
475.29160	1.8
517.30493	3.3
518.30981	0.7
535.31598	1.0
559.30908	0.6
577.16174	21.6
577.32397	96.3
578.16302	5.0
578.32788	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	577.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.8
57.03336	1.1
58.00451	0.4
59.01266	89.1
60.01596	0.9
61.98719	14.3
63.02282	0.8
66.71063	0.3
69.03323	0.6
71.01271	11.9
71.61030	0.3
72.34736	0.3
72.99201	1.6
73.02839	3.6
74.97041	0.3
75.00761	3.5
83.01289	2.7
85.02843	5.7
85.47040	0.3
85.99998	0.5
87.00787	1.1
89.02339	4.7
93.03365	0.9
94.56763	0.3
95.01289	0.8
96.95920	1.5
97.02835	0.5
97.06474	0.5
99.00765	1.8
101.02351	9.4
107.01299	0.6
111.00796	0.6
113.02361	4.9
117.03387	1.3
119.03422	0.8
121.02870	0.6
123.08093	1.1
124.01570	0.3
125.02386	1.5
129.01888	0.4
131.03435	1.4
135.04425	0.4
137.02403	1.0
143.03458	0.6
149.02473	0.5
149.04541	2.0
149.05666	0.4
151.00343	0.7
152.08398	0.5
159.02974	0.6
159.04358	0.7
160.04001	0.7
161.02423	0.5
161.04482	2.4
171.13942	0.8
171.47984	0.4
175.00378	0.4
191.05579	0.6
197.06085	0.6
208.99634	0.5
225.05580	0.5
240.04292	0.5
244.30722	0.3
253.99026	0.6
267.06921	0.4
268.03812	9.6
269.04596	40.9
270.04974	4.3
277.21823	2.3
283.06461	0.4
293.04681	3.8
293.08911	3.5
295.22971	1.2
311.05862	0.6
313.07196	0.4
355.24893	2.0
362.19559	0.5
373.26129	0.3
413.08789	2.1
421.26117	0.5
431.08118	0.3
439.27130	3.9
440.27414	0.6
457.28146	5.3
458.28714	0.7
473.31351	0.5
475.29202	2.0
499.29633	0.4
517.30243	2.8
518.30957	0.4
535.31311	0.9
559.31329	0.5
577.16205	24.1
577.32404	100.0
578.16467	5.1
578.32764	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	577.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38120	0.4
59.01247	2.1
60.18005	0.3
61.98714	27.1
63.96118	1.3
65.24203	0.4
68.03114	0.3
69.03333	0.5
70.29819	0.7
70.30215	1.0
70.56949	0.4
71.00896	0.7
71.01266	6.5
73.02837	1.4
78.95802	1.2
78.98481	6.8
79.95618	10.8
80.96405	69.7
81.03345	0.5
83.01266	0.4
85.02834	3.6
87.00756	3.7
94.97977	16.3
96.95920	1.7
97.02850	1.6
97.82133	0.4
98.19744	0.4
99.00768	0.4
101.02347	2.4
105.49371	0.4
106.97990	2.9
117.03419	0.5
121.02914	0.5
122.97463	2.7
125.02340	2.8
127.03951	0.7
134.97499	4.7
136.99081	1.6
148.99072	6.8
152.98566	6.4
164.98581	11.8
167.00179	0.5
188.98558	0.6
206.99725	2.4
225.00734	14.8
226.01018	0.6
268.03787	2.9
269.04611	11.3
270.04919	0.7
277.21933	1.9
278.22110	0.5
279.22946	0.6
293.04639	0.8
299.04437	3.5
348.26392	0.6
379.28589	2.7
380.28897	8.0
381.29205	0.5
407.43719	0.5
413.08408	0.4
577.17084	6.0
577.26904	100.0
578.17609	1.4
578.27246	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	577.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01250	1.4
61.03086	0.2
61.98700	0.6
63.96119	1.3
69.03339	0.7
71.01267	7.8
73.02840	1.7
78.98476	5.8
79.95254	0.2
79.95625	9.2
80.96406	72.7
81.03352	1.2
81.96340	0.4
83.01264	0.6
85.02834	2.8
87.00761	2.7
94.97977	16.1
95.01295	0.5
96.95922	1.1
97.02832	1.5
98.20510	0.5
99.00760	0.6
99.04403	0.5
101.02336	3.0
103.03907	0.2
106.97977	3.2
113.02361	0.6
120.99565	0.3
122.97493	5.8
124.96179	0.3
125.02372	3.1
127.03912	1.0
134.97501	4.9
136.99107	1.4
148.99075	5.8
149.48935	0.3
151.27469	0.2
152.98573	7.7
164.98573	11.9
165.98769	0.3
167.00156	0.5
182.99658	2.8
188.98480	0.3
206.99677	3.3
225.00735	17.7
226.01044	0.7
227.05782	0.2
243.01793	1.6
268.03754	1.4
269.04581	5.3
270.04926	0.3
277.21820	2.4
293.04645	0.5
294.65475	0.3
299.04398	2.4
299.07535	0.4
313.21396	0.3
577.26947	100.0
578.17511	0.7
578.27252	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	577.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	9.4
57.03327	3.2
58.00486	4.3
59.01263	85.4
60.01595	1.1
61.98714	1.8
63.02312	0.9
63.17990	0.9
71.01267	46.0
71.59410	1.4
72.99195	4.4
73.02827	7.8
75.00761	45.8
81.06997	1.2
83.01254	4.5
85.02844	16.0
87.00748	4.6
87.86987	0.9
89.02335	40.0
90.02670	1.2
93.03299	1.0
95.01285	2.9
96.95921	3.6
97.06473	1.1
99.00761	2.5
99.04431	5.4
101.02349	28.9
102.02682	1.4
107.04945	1.9
111.00786	1.2
111.04430	2.4
113.02351	17.0
114.02679	0.9
117.01867	1.7
117.03384	3.2
119.03405	14.0
119.04775	0.9
121.02864	1.3
125.02325	2.4
129.01875	11.4
131.03439	2.1
135.04436	1.6
135.87732	0.8
143.03413	1.8
147.02931	8.5
149.02426	1.4
149.04442	3.6
150.03116	1.1
151.00238	1.8
151.03896	0.8
159.04408	1.3
161.02409	1.3
161.04507	4.3
161.09650	1.7
161.13310	10.4
162.13618	1.3
163.11214	1.1
165.03995	70.3
165.05363	2.4
166.04251	1.8
170.87596	0.9
171.10437	0.9
175.00252	1.8
179.05573	7.0
187.11281	6.5
191.01871	1.2
198.68570	1.0
205.12306	36.4
206.12599	1.5
207.10352	1.2
223.13358	7.3
240.04317	0.9
249.11354	33.7
250.11757	2.4
255.03117	7.9
267.12448	7.6
268.03818	11.2
269.04596	60.1
270.04956	6.4
281.04535	1.2
283.02512	7.1
283.05862	1.7
284.03214	2.9
285.04105	4.4
293.04605	15.5
293.08099	1.6
294.05307	1.0
295.05859	1.1
311.05624	3.5
341.06607	1.6
343.11777	1.0
353.06659	1.3
355.12189	1.4
377.03149	1.0
379.13763	1.0
385.18848	1.3
397.15179	11.1
398.15149	1.2
413.09030	6.3
415.16135	3.7
429.17749	32.4
430.17917	3.1
431.09558	1.0
445.07764	1.1
499.21982	1.1
517.22980	1.9
517.30170	3.4
535.27856	6.0
559.20190	2.6
577.22266	100.0
578.14886	2.9
578.22345	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1577
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
57.03333	0.2
59.01265	4.3
61.98712	0.9
63.02276	1.4
63.02548	0.1
65.00198	0.7
69.40372	0.4
69.40785	0.9
71.01276	1.1
71.24508	0.1
72.99189	0.2
73.02834	0.4
75.00757	0.2
79.09228	0.1
83.01287	0.6
84.02058	0.2
85.02847	0.7
87.00751	0.2
89.02338	0.7
90.41537	0.1
93.03368	0.4
96.95908	0.3
97.06483	0.3
99.00785	0.3
101.02332	0.8
105.03381	0.2
107.01286	1.7
113.02361	0.5
117.03375	2.7
119.03395	0.2
121.02896	0.2
122.81380	0.1
131.03413	0.1
135.04430	0.4
141.01573	0.3
148.01604	0.2
149.02376	0.9
149.99527	0.3
151.00290	1.4
159.04469	1.1
161.02353	0.9
161.04527	0.2
169.01332	0.4
169.06560	0.3
171.04488	0.4
171.10210	0.5
172.05241	0.2
175.00356	0.2
180.05713	0.2
181.06512	0.4
183.04509	0.5
195.04510	0.2
196.05267	0.5
197.05962	0.5
197.11781	0.2
199.03952	0.3
199.13484	0.1
200.04794	0.4
201.05530	0.5
205.05092	0.2
211.03983	0.7
212.04813	0.3
212.23598	0.1
223.04121	0.3
224.04840	0.4
225.05542	1.1
225.14943	0.2
227.03476	0.4
239.03525	1.0
240.04300	1.6
241.04971	0.2
253.05219	0.2
253.09348	0.5
267.02945	0.6
268.03824	25.4
269.04593	100.0
270.04947	8.4
283.06360	0.2
290.47556	0.1
293.04553	1.1
305.91290	0.2
311.05701	0.5
327.21680	0.1
341.23370	1.8
355.25043	0.5
373.26132	0.2
413.08798	1.2
431.09680	0.2
457.11642	0.2
517.30634	0.4
577.15735	50.6
578.16071	8.9
586.57123	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03336	1.4
57.94601	0.2
58.00480	1.5
59.01264	25.5
59.43872	0.2
60.01578	0.4
65.76435	0.3
67.19115	0.3
69.52397	2.6
71.01267	7.8
72.99198	1.5
73.02826	2.2
75.00755	1.1
83.01293	0.7
85.02842	7.1
87.00780	0.8
89.02336	3.1
93.03350	0.6
95.01272	0.5
96.95908	0.9
99.00742	0.3
99.91956	0.4
101.02356	2.8
103.01824	0.3
103.03922	0.8
105.46818	0.3
111.00784	0.5
113.02371	1.0
117.03365	4.8
118.03747	0.4
119.03441	0.5
119.89758	0.3
120.17814	0.3
121.02882	0.4
125.02331	0.3
129.01860	2.1
131.01306	3.3
145.02988	0.3
147.00867	0.3
149.02357	0.3
149.04462	0.5
159.04456	0.5
161.02309	1.4
161.04489	0.4
163.00322	0.5
163.03987	0.4
165.01917	0.4
165.03970	1.1
171.04492	0.6
173.02348	2.1
174.98804	0.6
175.00325	12.2
176.00648	1.1
177.01956	0.4
183.04333	0.5
187.00311	0.3
189.01920	0.4
193.01399	0.4
197.06096	0.5
205.03539	1.4
205.12431	0.3
209.06178	0.3
210.06793	0.3
221.06140	0.4
225.05547	0.4
237.05568	0.8
239.07140	0.5
249.05637	0.3
251.07152	0.4
253.05118	0.8
254.05824	0.8
264.04355	0.3
265.04993	0.6
267.06635	0.7
268.03796	0.9
269.04593	9.7
270.04868	0.9
279.06638	1.1
281.04599	7.1
282.05383	4.8
283.06174	9.5
283.09317	0.2
284.06552	0.9
291.06631	0.5
293.04608	94.9
294.04968	8.7
295.06168	4.8
296.06720	0.4
297.07779	0.4
306.05276	0.3
307.06158	1.0
309.04108	0.8
309.07443	0.3
310.04782	0.8
311.05679	12.9
312.05878	1.5
314.04422	4.2
315.04486	0.4
321.04099	0.3
323.02026	0.6
323.05658	9.0
324.06015	1.0
325.07224	0.6
327.12347	0.8
335.05649	4.2
336.05978	0.4
339.05096	0.3
341.06750	7.3
342.07053	0.6
353.06821	2.3
355.08173	0.5
367.08136	0.5
376.38101	0.3
377.06671	0.5
387.10934	0.4
413.08871	13.2
414.09158	1.0
429.17606	0.5
457.11435	2.9
458.12161	0.4
473.58142	0.4
503.19122	1.1
577.15686	100.0
578.16058	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	577.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80773	0.2
59.01262	0.5
63.02279	1.8
65.00201	1.1
71.01273	0.3
71.61315	0.2
83.01279	0.6
93.03364	0.4
97.94350	0.2
105.03284	0.3
107.01293	1.9
117.03376	3.8
118.03708	0.2
118.64817	0.2
121.02844	0.2
135.04475	0.2
149.02364	1.0
149.99551	0.3
151.00317	1.9
157.06595	0.2
158.03566	0.2
159.04436	1.2
161.02400	1.2
166.36774	0.2
167.05031	0.2
169.06624	0.4
171.04507	0.3
172.05292	0.2
180.05688	0.3
181.06516	0.4
183.04413	1.1
184.05238	0.3
194.77638	0.2
195.04550	0.3
196.05193	0.7
197.06012	0.8
199.03960	0.4
200.04819	0.4
201.05548	0.8
211.04007	0.8
212.04715	0.2
224.04834	0.5
225.05515	1.6
227.03503	0.7
239.03476	1.7
240.04329	2.2
241.04877	0.4
267.03113	0.7
268.03815	27.6
269.04590	100.0
270.04941	8.9
293.04684	1.2
311.05716	0.6
357.65192	0.2
413.08804	0.9
431.10742	0.3
457.11539	0.3
577.15729	39.3
578.16046	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	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59229	0.4
57.10063	0.4
58.00478	1.2
59.01266	24.9
70.62401	1.4
71.01270	4.8
72.99178	1.4
73.02841	2.8
77.03866	0.4
85.02836	3.5
89.02338	2.5
101.02332	1.4
103.03888	1.8
117.03370	8.0
119.03462	0.5
121.02962	0.4
131.01344	2.0
143.75113	0.4
153.05154	0.4
161.02382	1.2
163.00305	0.8
163.03952	0.6
173.02409	3.0
175.00322	7.8
183.75815	0.5
194.29309	0.4
221.06119	0.7
237.05585	0.7
265.05164	0.4
269.04623	4.9
281.04581	4.5
282.05396	3.9
283.06168	5.9
284.06403	0.6
293.04626	100.0
294.04968	10.0
295.06116	3.3
296.06473	0.4
310.04916	0.5
311.02133	0.8
311.05676	11.6
312.06049	1.5
314.04337	2.5
321.04144	0.4
323.05667	6.4
324.06046	0.7
325.07089	0.6
335.05637	1.8
341.06662	4.9
342.07217	0.6
353.06702	1.7
355.08069	0.6
377.06845	0.6
413.08871	34.5
414.09109	3.1
414.72873	0.4
457.11676	3.1
473.29337	0.4
517.04272	0.4
538.78729	0.5
577.15759	43.5
578.16107	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	576.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	20.6
61.46550	0.1
61.98741	0.2
70.06118	0.8
71.01260	0.2
78.95796	7.1
83.04926	0.2
90.30704	0.2
98.19961	0.2
100.79803	0.2
104.54898	0.2
121.74892	0.2
123.98062	0.2
127.07567	0.2
133.70578	0.1
146.05594	0.2
152.99519	1.5
168.04257	1.9
195.83266	0.2
224.06985	1.1
233.22823	0.5
242.08049	3.5
259.20734	0.7
268.03802	0.4
269.04694	1.5
275.20245	0.4
277.21774	100.0
278.22131	9.4
305.57559	0.2
502.29507	38.9
503.29825	5.5
577.15656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	30.2
60.01573	0.4
61.98721	0.6
71.01267	0.8
78.95796	25.8
79.95646	0.5
80.96416	3.3
94.97969	0.7
96.96837	0.5
98.20556	0.8
105.15797	0.3
122.97522	0.3
122.98409	0.4
152.99525	3.9
160.88054	0.3
164.98584	0.3
168.04269	4.0
219.14424	0.3
224.06950	11.2
224.09215	0.6
225.00789	0.9
229.66338	0.3
230.08904	0.3
233.22704	0.5
242.08052	3.0
242.55954	0.3
259.20563	0.4
268.03714	1.9
269.04614	6.0
275.20197	0.4
277.21786	100.0
278.22116	9.1
283.39523	0.3
293.04715	0.6
420.30093	0.3
502.29520	92.0
503.29861	13.0
550.93933	0.3
551.61182	0.3
577.16034	3.3
577.27026	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	576.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86945	0.1
57.18111	0.1
59.01265	0.8
60.01603	0.2
61.98717	100.0
62.98411	0.1
69.43826	0.3
69.44242	0.6
71.01274	0.5
71.08372	0.1
71.21939	0.1
73.02837	0.1
78.98493	0.2
79.95657	0.3
80.96407	2.2
94.97968	0.6
98.20623	0.2
101.02356	0.2
113.04398	0.1
116.52410	0.1
122.97604	0.1
125.02335	0.1
134.97432	0.1
148.99043	0.2
152.98557	0.2
164.98633	0.3
206.55090	0.1
206.99751	0.1
225.00735	0.6
253.09431	0.2
254.09706	0.2
255.09903	0.3
256.10229	0.1
256.60114	0.1
268.03821	0.1
269.04587	0.7
277.21756	1.7
278.22141	2.5
278.25018	0.2
279.22345	1.4
280.22809	0.8
299.04602	0.1
333.28159	0.1
415.23300	0.1
577.16565	0.4
577.26947	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	576.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
61.98718	100.0
62.98415	0.2
64.05360	0.1
70.23839	0.5
71.01279	0.1
80.96402	0.1
93.15302	0.1
96.95929	0.1
116.36067	0.1
134.02042	0.1
210.76311	0.1
252.72699	0.1
253.09402	0.3
254.09650	0.3
255.09865	0.4
268.01443	0.1
268.03922	0.4
269.04617	2.1
277.21793	1.2
278.22119	2.1
279.22424	1.3
280.22699	0.6
577.16132	1.0
577.27032	0.3
590.75494	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.2
59.01266	15.7
61.98714	0.3
70.68592	0.4
70.68928	0.2
71.01267	2.8
72.99209	0.3
73.02847	0.8
74.84737	0.2
83.01290	0.2
85.02850	0.6
87.00784	0.5
89.02340	2.0
92.78644	0.2
95.01272	0.2
96.95923	0.3
99.00777	0.2
101.02341	2.9
103.03922	0.2
108.36253	0.2
113.02338	1.3
119.03415	0.7
129.71481	0.2
129.72841	0.2
133.04980	0.2
143.03384	0.4
161.04507	1.4
167.10878	0.2
179.05473	0.2
180.98959	0.2
235.08250	2.2
253.09337	13.5
254.09534	0.4
261.22284	0.3
279.23346	100.0
280.23688	9.5
380.91394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.1
71.60849	0.6
78.95767	0.4
89.41595	0.4
89.42207	0.4
95.04909	0.7
106.63297	0.4
122.03664	0.8
123.04441	77.0
124.04771	2.9
153.05518	100.0
154.05830	4.0
177.00729	0.4
242.38914	0.4
279.23306	3.4
291.20090	0.6
305.12970	0.4
420.75018	0.4
549.15924	0.4
602.93402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41335	0.2
56.13371	0.2
59.01265	12.6
61.98715	0.4
63.54499	0.2
71.01269	3.2
73.02825	0.7
83.01273	0.4
85.02838	0.8
87.00767	0.3
89.02337	2.4
95.01302	0.4
96.95862	0.2
101.02342	2.6
108.02089	2.1
109.02854	0.8
113.02385	1.3
118.15245	0.2
119.03406	0.8
133.05069	0.3
143.03447	0.3
152.01102	1.4
153.01859	0.3
158.21878	0.2
161.04492	1.3
193.63231	0.2
194.25447	0.2
209.11832	0.4
235.08249	1.4
253.09329	14.6
254.09654	0.9
279.23346	100.0
280.23691	9.0
291.19891	0.4
414.21884	0.3
479.19781	0.2
575.29230	1.9
576.28998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
55.03680	1.2
57.03337	2.5
58.00473	5.2
59.01266	100.0
60.35559	1.3
61.98720	4.3
70.18165	1.3
71.01270	79.3
71.26608	1.3
71.62224	2.4
72.99207	3.9
73.02840	7.1
80.53582	1.3
81.03352	1.3
83.01277	3.7
83.78506	1.2
85.02843	14.4
87.00781	3.3
89.02341	95.3
90.02659	2.2
95.01288	1.8
96.95921	2.5
97.02898	1.5
99.00761	3.1
101.01702	2.8
101.02351	46.3
113.02365	24.2
119.03419	22.4
125.02343	3.9
131.03429	27.1
143.03403	5.1
149.04501	51.8
150.04816	2.4
161.04546	6.9
179.05585	22.1
191.05586	10.1
251.07541	2.0
257.08218	2.2
296.27875	1.3
311.09848	1.9
337.10983	1.7
355.73911	1.5
383.24380	5.2
515.28748	32.7
516.29352	4.6
575.24500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91825	0.9
55.01769	3.9
57.03342	6.8
58.00472	1.7
59.01268	59.5
61.98711	3.4
69.03337	2.2
69.55083	7.8
71.01273	100.0
72.99200	3.7
73.02837	24.3
75.00786	1.7
83.01286	10.7
85.02848	39.1
86.03184	1.0
87.00783	3.5
89.02338	31.4
95.01295	7.9
96.95930	2.2
97.02872	2.2
98.20567	1.1
99.00784	14.5
101.02348	54.6
102.02707	1.1
110.02782	0.8
113.02360	35.8
113.35307	0.9
114.02734	1.5
119.03427	7.8
125.02400	3.9
127.44299	0.8
129.01868	1.8
131.03427	6.9
143.03488	4.5
149.04527	7.1
159.02953	7.1
161.04507	56.4
162.04892	1.9
179.05617	4.4
191.05632	1.4
205.03561	2.6
239.72604	0.9
264.92465	0.9
290.78433	1.0
313.88437	0.9
315.20862	0.8
383.24472	88.4
384.24768	10.3
427.23114	1.3
515.28741	87.6
516.29010	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	575.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14403	0.3
57.03334	0.5
58.93693	0.4
58.94373	0.4
59.01266	14.1
60.01609	0.4
61.98708	1.3
69.03342	11.8
69.45763	3.3
69.52310	0.4
71.01272	6.8
71.04909	21.3
72.05251	0.6
72.99187	0.8
73.02831	1.6
75.00761	0.5
77.03883	0.4
85.02859	2.2
88.98689	0.4
89.02348	5.4
93.03403	0.7
95.01238	0.4
96.95907	2.6
98.95503	0.7
99.00797	0.6
101.02339	3.6
107.04955	0.8
108.02082	0.7
111.87859	0.3
113.02354	2.0
119.03423	0.7
119.04858	0.5
121.02875	11.0
122.03172	0.4
123.04459	0.6
124.72719	0.3
125.02366	0.7
130.45316	0.3
131.03429	1.6
133.06474	0.5
134.03650	4.3
135.04425	0.6
143.03419	0.4
147.00832	2.2
147.08093	0.8
149.02423	0.4
149.04527	2.3
149.09648	3.5
152.01091	1.2
154.72263	0.5
161.02361	1.0
161.04575	0.4
165.01895	0.9
167.03435	2.6
169.66116	0.4
177.09171	7.3
178.09497	0.5
190.99905	0.7
193.08643	0.8
221.08194	100.0
222.08533	7.7
268.03769	0.6
269.04565	2.0
280.46033	0.4
308.95499	0.4
353.23355	0.4
373.46030	0.4
375.27267	0.5
413.21930	1.1
431.09763	0.5
465.78967	0.4
515.17828	0.5
515.28882	1.7
523.66315	0.4
531.29016	0.6
533.29529	1.0
575.22552	0.5
575.31512	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	575.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92998	1.5
55.84494	1.5
59.01253	2.3
69.83864	1.7
70.98045	1.9
70.98367	3.7
71.01268	4.1
84.42937	1.9
99.00784	7.3
103.80230	2.0
117.95052	1.5
120.58270	1.5
134.03629	3.2
146.03683	2.1
147.04491	9.8
148.05217	6.8
149.06049	2.6
159.04445	2.5
160.05211	5.9
162.03165	8.2
162.06808	5.1
163.03883	3.2
163.07602	2.3
172.05196	1.8
173.06029	6.9
174.03261	1.7
175.03979	3.1
175.07613	2.8
176.04700	2.3
177.05557	17.7
184.05186	2.8
184.81754	1.6
187.04042	2.2
188.04811	13.1
189.05515	3.1
190.06306	4.5
191.07072	2.1
201.05525	2.6
202.06355	6.1
203.07045	6.8
204.04247	6.4
205.05032	7.2
205.08690	2.5
207.06647	2.6
214.06325	2.7
215.03490	1.9
216.04276	9.3
217.08698	16.5
218.08936	1.7
219.06601	18.2
221.08211	10.3
231.06641	15.5
232.07224	1.8
233.04564	6.0
235.06184	7.8
249.07727	14.5
251.05646	9.4
265.07263	4.1
291.08722	2.2
293.06763	19.4
309.09775	2.8
353.08844	100.0
354.09180	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	573.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	4.2
55.88213	1.0
57.03334	4.5
57.14284	0.9
58.00479	5.0
59.01264	94.1
59.08346	0.9
61.98716	7.3
69.03357	1.7
69.32232	1.0
71.01270	100.0
71.51646	1.4
72.01610	1.9
72.99191	5.2
73.02834	20.1
82.75301	1.2
82.99970	1.1
83.01283	8.0
85.02842	30.5
87.00790	5.8
89.02337	98.3
90.02658	1.1
95.01276	4.9
96.95921	2.2
97.02843	3.2
99.00768	7.3
101.02346	72.8
102.02699	1.5
108.08417	1.0
111.00822	1.2
113.02357	35.6
114.02681	1.2
119.03417	32.3
125.02353	3.2
129.01862	1.1
131.03429	24.3
142.63783	1.0
143.03444	8.3
145.75082	1.0
148.30759	1.1
149.04498	67.1
149.43562	1.0
159.02997	1.9
161.04495	17.6
179.05574	18.6
180.01811	1.2
191.05585	10.0
289.77753	1.1
293.08911	1.4
311.09808	1.2
381.18274	1.9
381.22882	24.3
382.23331	2.4
446.56027	1.1
501.63422	1.2
513.27087	27.9
514.27533	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	573.2929
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
50.16747	0.8
55.01773	3.5
58.00472	0.8
59.01264	48.1
59.45609	0.7
61.82129	0.8
61.98420	1.2
61.98714	12.4
67.01762	0.7
69.03336	1.3
71.01270	75.5
72.99183	2.8
73.02834	20.4
75.00781	1.7
75.58560	0.7
81.03358	0.8
83.01274	10.0
85.02841	33.0
87.00765	3.2
89.02334	23.0
93.50819	0.7
93.78923	0.7
95.01266	3.9
96.95901	4.3
97.02843	2.3
98.20538	1.3
99.00781	10.8
101.02343	46.0
111.00778	1.8
113.02354	29.0
119.03403	2.6
121.02903	1.7
125.02373	4.4
129.01837	1.3
131.03439	5.9
136.90007	0.8
143.03398	3.2
149.04468	7.8
159.02942	6.1
161.04494	27.9
161.05838	1.3
179.05489	1.4
191.05539	1.5
205.03546	1.4
206.86041	0.7
219.13896	1.0
293.08719	1.4
381.22879	76.2
382.23178	8.9
513.27118	100.0
514.27496	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	573.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	12.2
59.77351	0.5
61.98721	1.3
62.24547	0.4
70.20146	0.5
71.01274	9.0
72.99210	1.4
73.02834	2.7
75.00769	1.3
77.32722	0.5
83.01320	0.8
85.02833	4.0
87.00787	1.7
89.02338	7.2
93.03359	3.4
95.01315	1.0
95.04916	0.7
96.70971	0.5
96.95928	2.4
97.02865	0.6
98.20667	0.8
99.00795	2.2
101.02362	4.1
104.06628	0.5
105.03355	0.6
107.04897	0.5
108.02055	0.9
108.48974	0.5
109.02855	0.8
111.00808	1.0
113.02361	4.4
117.05487	0.7
119.03403	0.8
121.02877	15.3
122.03668	13.0
123.00794	0.5
123.04472	1.0
124.01575	0.5
125.02415	2.5
131.03452	1.6
132.02206	0.7
133.02878	2.0
133.06526	8.3
134.03688	1.2
135.04472	1.5
136.01593	1.8
137.02359	1.1
139.03899	0.6
143.03412	1.1
147.04430	1.1
149.02385	49.7
149.04468	2.9
150.03172	84.2
151.03676	4.0
154.99803	0.4
160.03946	1.1
161.04532	1.6
163.03972	0.8
164.04739	13.4
165.05530	100.0
166.06306	37.1
167.03484	0.6
167.07086	3.9
174.01649	0.6
175.04030	2.3
177.05609	0.5
180.04256	6.4
181.05037	1.2
181.08669	24.2
182.08992	1.3
195.06610	73.0
196.06975	4.4
205.05017	0.7
205.07167	0.9
223.06036	1.0
239.07111	0.8
241.05223	0.5
246.68102	0.5
249.06097	1.4
253.05122	1.0
254.05910	0.5
255.06598	0.7
266.05801	0.7
267.06799	1.3
268.07193	0.7
269.08270	1.6
270.08966	1.5
275.00034	0.6
283.06232	0.8
284.07162	0.6
285.07788	3.2
285.10785	0.6
293.08798	2.3
298.08408	1.4
299.09274	1.6
313.10742	3.3
314.11685	6.1
315.12061	0.8
328.09686	1.3
329.10333	2.4
329.13977	26.1
330.14285	3.3
343.11945	29.7
344.12305	4.2
367.12451	3.8
373.13022	0.7
377.16071	3.4
391.14111	4.5
441.17776	3.7
525.21442	32.7
526.21863	6.7
537.32928	1.1
573.21594	4.2
573.30292	1.9
574.22052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
61.98703	1.2
63.28719	0.8
70.21700	2.6
70.22121	1.7
71.01276	2.7
73.02856	0.8
78.91774	1.0
78.95799	0.9
85.02851	1.7
90.69271	0.7
96.95914	0.9
101.02357	2.5
102.01434	0.8
102.07387	1.0
149.06029	13.2
156.21857	0.7
169.91618	1.0
251.11415	5.3
255.81223	1.0
277.21790	58.3
278.22070	5.6
407.81775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	26.8
61.98706	0.8
71.01274	4.7
73.02820	1.4
75.50628	0.4
78.95798	1.5
85.02850	1.0
86.18355	0.5
87.00797	0.8
89.02337	3.8
96.95904	1.1
98.19793	1.4
99.00809	0.6
101.02354	3.9
111.57370	0.5
113.02311	2.5
113.23497	0.4
119.03422	1.2
139.81509	0.5
152.99495	0.8
161.04486	1.3
164.08003	0.4
177.16443	1.1
179.05562	0.6
189.70682	0.5
231.21202	2.7
235.08223	1.6
253.09328	18.4
254.09740	0.6
275.20215	100.0
276.20554	9.6
438.41742	0.5
468.24832	0.5
566.43994	0.6
571.29724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57954	0.1
67.09043	0.1
68.61869	0.1
69.25365	0.1
69.73703	0.3
69.74107	0.2
69.90804	0.1
84.98174	0.1
93.03392	0.2
98.20459	0.2
103.05468	0.1
106.04142	0.1
108.02078	0.5
108.17245	0.1
119.04874	0.1
121.02908	0.1
121.06506	0.1
122.03642	0.8
129.03439	0.1
130.04138	0.1
131.04947	0.3
137.02345	0.1
147.04448	1.1
148.05240	2.3
149.06018	100.0
150.06355	4.6
150.65787	0.1
154.02643	0.1
160.29828	0.1
277.21878	0.3
293.10266	0.1
571.32904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21473	0.3
57.03337	2.7
59.01267	44.1
60.01600	0.5
61.98716	0.9
69.03346	0.3
69.39958	2.8
71.01270	2.0
71.04900	1.4
72.99205	0.5
73.02834	0.7
83.01272	0.4
85.02872	1.1
87.00773	0.5
89.02346	1.0
96.95925	1.1
97.06481	0.8
99.00776	0.5
101.02357	0.8
101.05984	0.4
105.88234	0.3
109.02852	0.3
111.08044	0.6
113.02357	1.3
115.00336	0.5
119.03408	0.4
122.77280	0.3
123.04441	0.6
125.02383	0.7
131.03452	0.4
135.04413	0.4
137.02354	0.4
139.07620	0.9
142.99770	0.5
145.02852	0.3
149.04497	0.4
150.03116	0.7
151.03941	1.2
161.00807	0.4
165.05548	0.6
171.13956	0.3
179.07095	0.3
181.04982	0.6
195.06604	0.3
197.02173	0.3
207.17603	0.4
209.28015	0.4
235.17085	0.6
247.20712	1.9
263.20190	2.3
265.21759	2.0
277.21835	0.6
281.21237	0.5
295.22824	6.2
296.23166	0.7
313.23871	1.1
334.53583	0.3
362.07770	0.3
371.24319	0.4
373.26016	100.0
374.26382	11.2
374.30240	0.2
453.19119	0.3
458.57321	0.3
493.30856	0.3
513.03448	0.3
537.21808	0.4
571.20862	0.5
571.29041	3.8
572.28906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66586	0.3
57.03340	0.7
59.01266	40.8
60.01619	0.4
61.98720	2.0
63.27680	0.3
69.29726	3.6
71.01253	1.7
73.02806	0.5
75.00748	0.5
85.02851	0.5
87.00739	0.5
88.98704	0.9
89.02336	0.9
96.95918	0.4
97.06507	1.4
98.82078	0.3
101.02354	0.5
111.08047	0.4
113.02325	0.5
115.88744	0.3
119.03415	0.4
123.08078	5.5
137.70366	0.4
139.11168	0.5
141.09122	0.7
141.12787	1.9
142.65770	0.4
148.49443	0.3
151.03920	0.5
152.08347	1.0
169.12234	0.3
171.13802	2.2
196.26189	0.3
223.71570	0.3
240.04317	0.3
251.20108	0.6
277.21750	7.6
278.22177	1.0
295.22852	3.0
311.26172	0.4
313.24026	0.5
331.45425	0.3
349.07361	2.1
373.26016	100.0
374.26373	10.8
380.61740	0.3
571.15161	0.5
571.29340	4.1
572.28784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19488	0.3
57.03333	2.2
59.01265	41.8
60.01598	0.6
61.98716	1.7
66.81723	0.3
69.03384	0.3
69.29600	1.0
69.30022	2.4
71.01283	0.9
71.04907	1.4
73.02827	0.6
83.01299	0.3
85.02834	0.5
89.02354	1.0
93.42387	0.3
96.95911	0.7
98.20521	0.6
101.02346	0.6
111.08094	0.4
113.02369	0.7
125.09571	0.3
147.64990	0.3
155.14334	1.2
168.08873	0.3
183.13889	1.3
185.15430	3.0
197.02322	0.3
197.15494	0.8
199.17018	3.4
211.17029	0.5
213.18590	4.8
214.18794	0.4
214.30893	0.3
229.17841	0.3
243.19682	10.4
244.20027	1.1
252.62842	0.3
255.19537	0.7
277.21924	0.3
295.22858	1.4
313.23886	1.2
358.23483	0.3
367.01389	0.3
371.24380	0.6
373.26001	100.0
374.26401	11.3
571.28973	3.5
572.29004	0.6
581.11340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77077	0.2
57.03083	0.4
57.03338	3.1
59.01264	49.1
59.81940	0.2
60.01612	0.4
61.98714	1.5
69.03338	0.2
70.95557	0.4
70.95887	0.4
71.01274	1.2
71.04900	2.3
73.02837	0.4
78.07565	0.2
82.25084	0.2
83.01325	0.2
85.02895	0.3
89.02349	0.7
95.01280	0.3
96.95919	0.7
101.02359	0.9
104.72948	0.2
113.02383	0.3
119.03321	0.3
125.02338	0.2
131.59694	0.2
135.19917	0.2
138.06752	0.3
145.38171	0.2
155.14362	1.5
174.97908	0.2
183.13858	1.3
185.15434	3.4
197.02170	0.4
197.15462	1.0
199.17000	4.1
211.16959	0.3
213.18596	5.9
214.18921	0.4
221.06641	0.4
225.18579	0.4
229.18050	0.6
243.19667	12.5
244.19960	1.1
255.19646	1.2
295.22687	1.4
306.85651	0.3
311.25903	0.3
313.23917	1.4
331.19012	0.6
349.20288	0.3
373.26010	100.0
374.26352	11.4
413.64774	0.3
527.96173	0.2
571.17041	0.5
571.29150	5.1
572.29382	0.5
593.61401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2901
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.25761	0.3
52.77714	0.3
59.01252	0.3
62.96328	0.3
78.95796	60.7
83.68784	0.3
85.43665	0.3
85.98371	0.3
96.96865	12.9
101.76707	0.3
134.98486	0.7
150.97935	1.0
152.99529	56.7
153.99867	0.9
161.95874	0.3
171.00607	0.8
181.41261	0.3
210.98021	0.3
223.00121	1.8
237.22308	0.4
241.01212	31.8
242.01569	1.1
255.23335	74.6
256.23676	6.6
259.02267	0.8
315.04944	8.0
391.22675	4.9
392.22610	0.5
571.29010	100.0
572.29340	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	571.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
59.34607	0.3
60.39772	0.3
65.37250	0.3
70.63432	0.4
70.97081	0.6
70.97413	0.4
71.01266	0.7
72.00806	0.5
74.02365	7.1
75.00781	0.3
78.95782	0.6
87.00781	0.9
89.02322	0.6
96.95916	14.4
96.96866	0.7
97.07610	1.1
98.05997	0.6
99.09172	0.9
100.03986	0.4
101.45937	0.3
109.07660	1.0
110.06021	1.7
111.00800	0.7
113.02359	0.7
125.07107	0.7
126.05511	0.4
127.05069	0.5
127.08697	18.2
137.07140	1.4
152.72845	0.3
153.06633	2.0
155.08224	0.8
157.09831	0.8
160.25572	0.3
167.08235	1.1
171.07733	1.0
185.09293	24.4
186.09639	1.5
190.87958	0.3
191.01888	0.4
199.07222	0.6
211.07202	1.1
229.08313	100.0
230.08647	4.9
243.93292	0.5
260.02402	0.7
267.70157	0.4
334.96750	0.3
503.45770	0.4
571.17096	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	571.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.7
61.98421	1.2
61.98718	12.1
67.01746	1.0
69.03330	0.8
70.94559	2.8
74.23996	0.8
81.03336	2.9
83.01276	2.8
95.04962	1.8
97.02834	2.3
97.09307	0.8
99.04414	2.0
107.49921	0.9
109.02838	1.9
113.06023	1.4
124.01561	1.0
125.02370	13.3
137.02368	4.0
138.03116	1.1
147.04472	1.5
149.02399	1.2
149.05971	1.0
151.03928	3.7
151.84999	0.8
159.94412	0.8
161.06015	1.4
163.04033	0.9
165.01938	1.7
167.03459	6.6
173.06129	1.1
175.03966	1.0
181.05025	2.6
187.04082	1.0
189.05557	1.5
191.07170	1.3
201.05571	1.4
205.05104	1.5
211.07684	1.4
213.05544	1.8
215.07191	1.3
222.06793	1.2
225.05574	1.7
227.07146	3.8
228.07780	1.6
229.08582	5.1
231.06569	2.3
237.05664	1.2
239.07080	2.5
241.05127	1.5
241.08601	1.1
250.06310	2.1
251.07204	1.2
255.06711	2.2
257.08276	10.2
264.04233	1.2
264.07886	1.2
272.03705	1.2
275.07135	1.1
277.05151	2.0
279.06656	2.0
281.04776	1.1
281.07870	1.2
283.10013	1.4
285.07837	2.0
289.05246	2.5
290.09622	0.9
291.07077	1.1
291.10287	12.1
292.10764	1.2
293.08286	1.4
295.05997	1.5
296.06894	1.9
297.07687	2.5
301.05130	3.0
302.05670	1.1
303.06760	2.8
304.03949	1.9
304.07410	1.6
305.04605	5.6
305.08017	1.9
306.05371	1.9
306.08853	1.2
307.06241	2.1
309.07669	2.4
313.07306	5.8
315.09201	1.4
316.07501	0.9
317.04623	4.1
317.08215	2.3
318.05542	1.3
319.06281	4.4
319.09787	46.9
320.06943	1.7
320.10312	9.7
321.07825	3.5
329.04709	2.2
330.05405	1.5
332.03305	1.4
332.06821	1.4
333.04221	13.2
333.07745	2.4
334.04678	1.2
334.08505	1.9
335.09354	4.5
336.06400	1.5
336.10086	15.2
337.10886	85.1
338.11227	11.5
341.08145	2.2
343.05908	1.7
344.06754	1.9
345.07779	2.3
346.04620	1.9
346.08521	1.4
347.05707	11.3
347.09378	2.3
348.06036	1.1
348.10016	1.4
355.05972	1.1
357.04138	2.4
357.07825	1.6
359.05444	2.1
361.07193	2.7
362.07947	5.0
363.08783	1.5
369.07620	2.3
373.11026	1.5
375.12482	1.3
379.79074	1.2
385.10931	3.0
387.12900	1.3
389.10315	2.5
403.11801	4.1
405.13614	5.7
415.11880	2.0
433.12888	3.9
445.13474	1.2
446.03995	1.1
447.04498	1.7
458.07547	1.5
467.15231	2.3
475.08218	2.5
476.08804	2.2
485.16223	8.9
486.16550	1.2
489.13528	1.9
491.14868	1.3
503.17188	1.2
509.16028	1.9
517.13007	21.1
518.13300	3.9
527.17389	7.5
528.17780	1.9
535.14075	17.3
536.14465	2.6
553.15088	6.6
554.15765	1.8
571.16193	100.0
572.16504	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	571.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.9
58.08496	0.4
59.01245	0.8
61.98715	4.5
65.03844	0.5
71.10035	0.9
71.10393	0.6
81.03354	1.4
81.25087	0.4
83.01264	1.3
95.04934	1.4
97.02843	0.9
98.20475	0.7
99.04412	0.7
107.04948	1.0
109.02851	0.7
113.05973	1.2
121.02873	0.6
123.04409	0.6
125.02369	10.0
129.85320	0.4
137.02399	2.6
139.03979	0.5
149.02354	0.7
149.05995	0.7
151.03908	1.8
163.03935	0.5
167.03464	4.2
181.05037	1.5
188.04727	0.5
189.05489	0.7
191.07077	0.5
201.05539	0.8
205.05092	1.0
213.05605	0.9
215.07088	1.0
222.06860	0.6
227.07198	1.0
229.05060	0.5
229.08673	1.3
249.05737	0.6
250.06317	1.3
251.06906	0.6
257.08188	2.9
263.07050	0.6
264.04459	0.5
264.07935	0.6
265.05136	0.7
273.09296	0.6
275.07150	0.9
277.05176	0.7
279.06683	1.3
281.04639	0.5
281.07996	0.5
289.05194	1.3
289.08630	0.7
291.07071	0.6
291.10306	5.6
292.07733	0.7
292.10745	0.6
293.08337	0.9
295.06061	0.8
296.06906	1.5
297.07553	0.7
301.05048	2.0
301.08408	0.9
303.03140	0.5
303.06714	1.3
304.03912	0.7
304.07208	0.9
305.04730	2.7
306.05273	0.9
306.08759	0.7
307.06079	1.5
307.09604	0.9
309.07660	1.6
309.11157	0.7
315.06680	0.9
317.04593	2.1
317.08002	1.0
318.05313	0.7
318.08847	1.1
319.06219	2.8
319.09775	30.6
320.06686	1.0
320.10324	6.8
321.04376	0.7
321.07791	2.4
321.11096	0.9
325.05316	0.6
327.06686	0.7
329.04529	1.1
329.08151	0.7
330.05429	0.8
331.06052	1.2
332.03168	1.3
332.06787	0.6
333.04199	9.8
333.07800	2.3
334.04385	1.3
334.08340	1.3
335.09171	3.8
336.10114	8.7
337.10876	61.8
338.11270	6.4
341.04614	0.6
341.08167	2.3
342.05084	0.7
343.05948	1.1
344.06949	0.6
345.03943	0.7
345.07825	1.4
346.04807	1.0
346.08508	0.8
347.05615	7.7
347.09375	1.8
348.06177	1.3
348.10098	1.2
355.06064	0.5
357.04068	2.6
357.07529	0.9
358.04517	0.7
358.08450	1.0
359.05502	1.4
359.09381	1.0
360.10208	0.7
361.07108	2.9
362.08044	4.0
367.09735	0.7
369.07745	1.2
371.05539	0.9
371.13135	0.6
373.11093	0.9
375.12500	1.1
383.09546	0.6
385.06732	0.6
385.10886	2.2
386.07797	0.6
387.08838	0.8
389.10287	1.0
402.11386	0.5
403.12088	3.5
404.12448	0.6
405.13391	4.4
407.05090	0.5
415.11963	1.1
419.05588	0.6
431.05197	0.6
433.12918	2.9
434.13455	0.6
435.05096	0.9
446.04227	0.9
447.05005	1.4
458.07587	0.8
467.15244	1.7
475.08423	1.6
476.09222	2.6
481.16971	0.6
484.14862	0.5
485.16110	7.9
486.16412	0.7
487.14087	1.2
489.13586	1.2
491.14987	1.8
494.10309	1.0
509.16144	1.5
517.13000	21.4
518.13452	3.7
527.17206	7.8
528.17535	0.8
535.14063	14.1
536.14471	2.8
553.14978	4.0
554.15698	1.1
571.16211	100.0
572.16522	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	570.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72665	0.1
57.03342	0.3
59.01262	1.9
60.01591	0.1
61.01683	0.1
61.98718	100.0
62.98431	0.3
63.99144	0.5
69.48174	0.1
69.48451	0.9
69.66697	0.1
71.01273	0.7
73.02831	0.2
75.00780	0.1
78.95836	0.1
83.01288	0.1
84.12611	0.1
85.02853	0.4
89.02345	0.5
95.01307	0.1
96.95915	1.0
97.02886	0.1
99.00772	0.1
101.02363	0.6
107.04896	0.1
109.02885	0.1
113.02377	0.2
125.02357	1.0
137.02385	0.3
149.02408	0.1
149.04523	0.1
167.03531	0.2
229.08603	0.1
257.08203	0.2
265.05133	0.1
278.05740	0.1
291.10495	0.1
296.07053	0.2
302.05475	0.1
319.09778	1.1
333.04169	0.4
335.09314	0.2
336.10242	0.3
337.10883	2.7
347.05701	0.3
362.08316	0.1
367.56195	0.1
389.10620	0.1
403.12091	0.2
485.16489	0.2
508.36093	0.1
509.36401	0.3
510.36340	1.0
517.13159	0.3
527.17950	0.2
535.14508	0.2
570.15466	0.2
571.16211	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	571.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	6.4
59.01265	34.2
60.92450	1.4
61.98716	44.9
63.99125	3.2
65.00294	1.4
69.03330	2.6
71.01265	21.9
71.04904	2.0
71.61043	3.2
73.02842	5.7
75.00742	1.8
81.03384	4.1
81.41824	1.4
83.01282	8.0
85.02861	6.9
88.88728	1.7
88.90795	1.6
89.02354	6.5
93.03324	2.9
95.01293	2.9
96.95924	6.1
97.02856	4.9
99.00780	3.2
99.04450	2.1
101.02338	13.8
105.03371	2.1
107.04945	3.0
108.02085	2.3
109.02834	16.2
113.02367	8.5
121.02876	5.2
123.04453	6.2
124.01540	1.6
125.02364	34.4
134.03683	4.5
135.04456	89.7
136.04802	3.7
137.02373	59.9
139.03931	5.7
145.02945	2.7
145.74928	1.6
147.04503	2.3
149.02382	53.8
149.06050	2.6
150.02704	2.2
151.00330	1.5
151.03961	14.9
155.44072	1.7
157.06573	1.7
159.04485	3.0
161.04523	5.4
161.06010	2.4
163.03920	11.0
164.01097	3.6
165.01866	29.6
167.03470	9.2
173.06120	4.5
175.03958	2.8
176.01118	1.8
177.01888	33.5
177.03320	2.3
178.02420	2.8
179.03452	11.0
185.06047	3.8
186.06812	1.5
187.03970	2.9
188.04761	7.5
189.05591	2.1
191.03499	6.7
193.04958	2.6
195.87195	1.5
197.06204	2.2
198.03276	2.1
199.03986	3.8
199.07663	4.5
201.05600	5.0
201.09271	4.7
203.03583	2.3
209.06111	6.6
210.06769	3.7
211.04094	4.9
211.07588	12.9
212.04753	4.0
213.05608	9.6
213.09209	3.4
214.06300	7.9
215.03526	3.6
215.07185	5.4
216.04155	8.9
217.05064	3.5
217.12317	1.9
221.06160	2.0
223.07741	2.4
225.05574	4.1
227.03535	6.8
227.07120	37.9
228.04346	2.5
228.07718	3.5
229.05174	3.4
229.08699	48.4
230.05855	1.9
230.09103	3.5
231.06619	26.9
231.08794	1.7
232.06927	2.1
237.05547	9.0
238.06265	3.7
239.07141	37.0
240.04405	2.1
240.07657	3.2
241.05203	6.7
241.08699	3.6
242.05724	2.1
243.03024	2.4
243.06555	3.7
249.05879	2.4
251.07065	8.3
252.07924	2.9
255.06644	39.0
256.03943	1.7
256.07132	5.1
257.08228	66.3
258.08557	5.6
265.05200	1.7
265.08887	2.0
267.06735	4.1
268.07480	3.8
269.04669	1.8
269.05542	1.9
269.08286	12.2
273.07895	3.6
279.06677	13.2
280.07104	2.1
281.08252	2.4
283.06152	2.1
284.07065	2.5
285.04697	1.7
285.07761	43.5
286.08334	3.2
291.10391	4.2
293.08374	2.8
294.09146	2.0
295.09711	3.4
297.07645	16.6
303.06964	2.3
303.10349	1.7
305.11945	1.7
311.09549	1.9
313.07349	2.0
315.09009	2.2
317.04691	2.0
317.08328	4.9
319.06409	2.7
319.09750	17.7
320.06989	2.3
320.10254	2.3
321.07849	2.7
321.11234	3.4
330.09122	2.0
331.09943	4.4
333.04138	3.2
333.11407	1.8
335.09528	1.8
336.10132	2.2
337.10880	32.1
337.14627	2.6
338.11365	5.1
345.11487	2.1
347.05630	3.0
347.09436	2.2
349.10773	18.3
351.12628	2.1
361.06967	2.0
361.11002	6.9
363.08679	2.7
363.12674	3.5
366.07529	1.9
373.06894	2.2
373.11142	5.1
374.07785	1.9
379.11932	3.4
379.21268	16.3
387.08688	2.9
389.10452	4.2
391.11960	15.0
395.11594	2.9
399.08652	3.8
403.12247	3.7
405.09125	7.3
405.14349	2.5
406.10117	1.9
407.11758	3.6
417.09979	14.5
419.11826	2.4
423.10950	52.9
424.11139	9.8
433.12573	2.7
435.10913	100.0
436.11102	11.7
449.12747	2.5
485.16080	2.1
502.13013	3.5
511.25671	19.3
517.12823	2.2
535.14032	2.3
553.15259	7.0
571.16339	66.6
572.16693	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	569.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68256	0.5
53.17529	0.4
55.01777	1.1
57.03345	1.0
58.00470	0.4
59.01268	11.2
61.98718	56.9
62.98425	0.7
63.99145	0.4
69.30550	5.2
71.01272	9.4
72.99220	1.0
73.02831	4.0
73.03217	0.5
75.00784	1.1
81.69933	0.4
83.01264	2.3
85.02843	6.5
85.15390	0.4
87.00784	1.5
89.02345	3.9
93.03349	3.1
95.01300	1.1
96.95918	2.4
99.00795	1.6
101.02341	8.5
108.02118	0.7
109.02904	0.9
111.00806	0.5
113.02351	4.5
114.52724	0.5
119.03427	1.4
119.04942	0.5
121.02860	4.1
122.03656	10.5
123.04429	1.6
129.01826	0.6
133.02917	1.8
134.03683	1.8
135.04425	0.9
136.01595	1.4
137.02374	1.1
139.04013	0.9
149.02385	20.7
149.06024	2.1
150.03168	93.4
151.03545	3.8
153.01872	0.5
159.03113	0.5
161.04497	1.4
163.03973	0.8
164.04726	5.3
165.05522	100.0
166.05875	4.2
167.03484	0.5
177.05527	0.8
179.07097	0.5
180.04256	7.0
181.04924	2.2
193.05081	1.1
195.06606	58.3
196.07164	4.8
211.09752	4.8
225.07751	0.5
267.07098	0.7
275.08334	0.6
327.11932	0.5
344.12683	1.1
345.13232	0.9
346.08609	0.5
358.12799	0.8
359.15115	4.1
361.16403	1.4
371.11804	0.6
373.15088	25.6
374.15390	2.3
387.10638	0.7
509.27344	1.1
521.20380	49.0
522.20740	7.8
523.21948	2.8
569.22699	8.2
569.30969	1.0
570.21887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25818	0.2
53.63243	0.1
59.01263	3.4
60.01589	0.2
61.98717	100.0
62.98408	0.2
63.99135	0.3
67.38336	0.1
69.28233	0.9
69.28656	0.7
71.01277	1.4
72.01597	0.2
72.99188	0.2
73.02843	0.5
79.18314	0.2
83.01325	0.2
85.02882	0.5
86.03165	0.2
87.00763	0.2
87.04404	1.6
89.02350	0.7
96.95914	0.9
99.00817	0.2
101.02359	0.7
101.05981	0.2
102.02721	0.2
102.70168	0.2
106.68370	0.1
113.02392	0.6
125.02370	0.7
135.04482	0.3
137.02380	0.3
145.67056	0.2
149.04558	0.2
153.19620	0.2
159.04494	0.2
167.98514	1.6
217.06586	3.9
239.07101	0.2
257.08334	0.2
269.04797	0.2
271.06134	0.1
333.04324	0.2
337.11002	0.5
371.24512	0.4
372.24908	0.3
407.08167	0.3
423.10843	0.3
508.35675	0.2
510.26559	0.4
510.36581	0.5
571.16193	0.4
597.16223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69995	0.7
55.01768	1.7
57.03340	1.8
58.00470	1.6
59.01266	23.2
61.98726	1.9
65.28239	0.7
69.03365	1.2
69.40801	0.7
71.01270	24.6
71.61690	1.1
72.99201	2.3
73.02836	8.4
74.67586	0.7
75.00774	2.9
83.01271	6.9
85.02841	13.4
85.99976	0.9
86.14909	0.8
87.00781	3.0
88.98679	0.8
89.02336	7.9
93.03361	3.1
95.01280	2.5
95.04903	0.8
96.95920	2.8
97.02911	0.8
99.00792	3.5
99.92503	1.3
101.02346	20.5
106.04046	1.8
108.02087	1.0
109.02866	1.9
111.00800	1.9
113.02361	8.1
116.92773	24.1
117.92791	1.6
119.03442	1.9
121.02860	6.2
122.03667	11.9
123.04446	2.3
124.01608	0.9
125.02381	1.2
129.01842	0.7
133.02890	4.8
134.03696	4.9
135.04472	0.7
136.01599	1.9
137.02365	2.7
143.03461	0.7
145.03004	0.8
147.04469	1.8
149.02383	35.1
149.05962	3.8
150.03168	94.0
151.03496	5.7
153.54813	0.6
159.02934	0.7
161.02377	0.8
161.04506	1.4
163.03947	1.9
164.04747	9.9
165.05524	86.7
166.05885	5.1
177.05719	0.9
179.07039	0.8
180.04230	6.6
181.05067	4.8
195.06613	37.3
196.07359	7.3
197.08035	1.2
211.09764	10.4
212.09952	0.8
225.07726	1.5
344.12616	4.7
345.13565	1.2
356.28918	0.6
358.12817	2.3
359.15097	12.0
360.15588	1.4
366.59714	0.7
373.15121	27.8
373.19891	1.4
373.65747	0.8
374.15451	2.4
407.19550	1.2
521.20392	100.0
522.20734	14.3
569.22589	21.3
569.29193	1.1
570.22375	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	569.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.0
60.59567	0.9
61.98719	9.5
69.78811	6.0
72.55281	0.9
75.89996	0.9
79.95644	1.4
95.01283	2.1
96.95912	3.8
107.01251	1.5
123.00782	6.1
125.02331	1.6
132.40791	0.9
149.99539	4.9
151.00342	1.1
163.00336	1.7
164.01068	2.1
169.01385	1.5
184.10484	0.9
187.03964	2.4
249.55779	1.1
285.07849	1.1
295.02448	2.0
301.05048	1.2
329.04614	2.1
335.76559	1.0
357.03882	1.6
358.04849	2.0
359.05612	1.6
372.06073	1.1
381.07623	1.9
386.66010	1.0
395.05450	1.1
397.07022	1.4
409.07193	3.1
425.06723	4.5
434.08044	1.2
437.06607	1.9
453.06186	7.3
454.06750	1.3
465.06033	1.6
468.08633	2.7
481.05557	3.7
483.10843	1.7
487.34988	1.4
496.08054	5.9
506.06354	1.4
507.07281	2.3
508.07632	1.7
509.05334	3.2
511.10788	5.8
512.10718	1.5
521.08655	1.5
522.09680	2.1
524.07599	22.9
525.08002	4.3
539.10052	25.6
540.10303	5.0
554.12268	28.7
555.12390	4.6
569.14642	100.0
569.29584	2.9
569.33386	2.7
570.15051	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	569.1465
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
59.01261	4.3
61.98720	2.5
65.00206	0.9
69.54381	1.5
69.54793	1.1
71.01269	0.8
74.27167	0.3
83.17670	0.3
93.03343	0.4
95.01282	1.1
96.95902	2.0
98.19781	0.4
98.55357	0.4
101.02318	0.5
107.01278	1.2
109.02803	0.6
119.01286	1.3
121.02833	0.5
123.00803	3.8
124.01605	0.5
135.00735	0.6
136.01508	0.7
149.99507	4.2
151.00189	0.9
152.01019	0.6
153.75935	0.4
159.04500	0.5
161.02324	0.5
163.00278	0.9
164.01100	0.7
165.01932	1.0
169.01375	0.9
172.01544	0.5
173.62589	0.4
183.32617	0.4
187.04034	2.0
203.44377	0.4
226.02722	0.6
227.03650	0.7
239.03499	1.0
253.05075	0.4
256.03714	0.5
268.03729	0.5
271.06110	0.5
281.04376	0.5
283.06189	0.9
289.05042	0.7
295.02576	1.2
303.06696	0.4
310.04950	0.4
311.05786	0.4
331.05814	0.5
345.04196	1.0
346.04639	0.5
347.05719	0.7
353.08194	0.8
357.04144	0.6
357.07993	0.5
358.04892	1.3
359.05569	2.0
360.06589	1.1
365.08188	0.7
369.07785	0.6
372.06372	0.8
374.07913	0.7
377.25217	0.6
381.07770	1.2
393.07867	0.6
396.06488	1.1
397.07123	2.1
406.07483	0.5
409.06940	2.2
411.08783	0.9
421.07324	0.6
422.08093	0.5
423.08698	0.4
425.06696	5.6
426.07147	0.8
436.06152	1.0
437.06650	2.8
450.07626	0.8
451.08170	0.7
453.06204	6.0
454.06516	0.9
464.05026	0.5
465.05820	1.8
465.77072	0.4
468.08450	2.7
478.07028	1.2
479.07645	1.0
480.08847	0.6
481.05649	8.4
482.05939	1.2
483.10748	1.1
485.11322	0.5
491.07764	0.6
492.04788	1.4
493.05096	3.2
496.08197	6.1
497.08286	1.1
506.06348	1.1
507.06891	1.9
508.07944	3.4
509.04489	2.0
511.10391	6.5
512.10626	1.2
521.08557	0.8
522.09741	1.0
523.10468	2.1
524.07538	19.4
525.08044	3.2
537.12225	0.8
539.09967	20.2
540.10333	3.9
541.18292	0.4
554.12299	35.3
555.12646	6.9
569.14642	100.0
570.14954	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	569.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39036	0.4
59.01257	1.2
61.98706	1.7
65.00206	0.7
69.80429	0.6
69.80840	1.8
73.27724	0.4
74.40354	0.3
95.01279	1.0
96.95901	1.3
98.20517	0.4
107.01292	0.8
109.02885	0.5
119.01295	1.0
123.00797	3.0
133.02852	0.6
135.29301	0.3
145.02875	1.7
149.99525	3.3
151.00255	1.4
159.04445	0.5
163.00293	0.6
164.01045	0.4
168.00563	0.6
169.01352	0.7
173.02371	1.4
187.03946	0.6
202.06203	0.5
241.01289	0.5
241.05011	0.4
255.03143	0.4
269.04456	0.4
279.03116	0.5
280.03677	0.4
281.04532	0.4
294.02020	0.4
295.02588	1.5
301.05258	0.4
310.04938	1.1
320.03354	0.5
325.08075	0.5
343.06165	0.5
345.04120	1.1
353.08322	2.4
358.04953	2.1
359.05557	3.0
360.06235	0.8
365.08423	1.0
373.07361	1.0
381.07782	4.9
382.08228	0.6
393.07773	0.7
394.08353	0.4
397.07196	1.5
408.06436	0.5
409.07245	10.2
410.07571	1.5
421.07440	0.8
424.09628	3.8
425.06619	2.5
437.06836	4.9
438.07410	0.5
439.11746	1.1
452.09091	2.0
453.06152	3.0
455.11679	0.5
463.04312	0.6
464.05603	0.8
465.06171	6.8
466.06961	1.1
467.11127	0.5
468.08392	2.7
469.08755	0.6
478.06937	1.0
479.07870	1.0
480.08719	6.7
481.04935	2.2
482.06342	0.5
483.10919	1.0
484.11151	0.5
492.05090	1.6
493.04910	0.5
495.11166	4.0
496.07932	5.5
497.08380	0.8
506.06638	1.0
507.07324	0.9
508.07935	1.4
509.05365	1.6
511.10361	6.6
512.10834	1.5
521.09094	0.4
522.09619	1.2
524.07611	8.6
525.08142	1.4
536.11761	0.4
537.11621	0.6
539.09955	17.6
540.10327	3.2
554.12274	18.5
555.12604	3.6
569.14667	100.0
570.14966	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	569.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	18.4
61.98721	45.4
65.00212	1.1
71.01289	5.9
71.62455	1.7
73.02840	1.4
79.95650	1.2
83.01277	2.5
85.02840	1.6
87.00723	1.5
88.98727	1.2
89.02346	3.6
89.58282	1.3
93.03363	4.8
96.95915	6.3
101.02335	3.3
106.10260	1.0
108.02073	2.9
109.02888	5.3
113.02345	1.6
115.05428	1.0
117.03373	1.9
117.04237	0.9
119.04942	3.7
121.02874	2.5
123.00768	2.3
123.04468	1.5
125.02343	3.7
133.02873	2.1
133.72672	1.0
135.00766	1.2
137.02345	1.7
139.03987	1.5
140.61769	1.0
145.02869	4.6
146.03650	1.2
149.02426	5.5
151.03920	1.3
157.06529	1.6
157.46283	1.1
161.02341	2.0
161.04472	1.2
161.06006	2.5
162.03452	0.9
163.00314	2.2
163.03894	1.8
171.04488	1.1
173.02458	1.8
173.06041	3.9
174.03197	1.6
175.03195	1.1
176.01085	3.8
177.01906	24.4
183.04425	2.5
183.08119	1.5
185.06015	2.3
187.03964	2.3
188.04729	2.1
189.01894	15.0
190.02534	1.9
191.03464	2.1
195.08214	1.3
196.05202	2.0
197.05934	3.5
199.03976	2.3
199.07596	2.8
201.05539	4.1
201.09129	3.7
203.03488	1.6
209.06096	6.2
210.06750	2.4
211.04033	6.3
211.07591	10.4
212.04765	2.2
213.02165	1.2
213.05577	7.7
213.09192	2.2
214.02655	1.8
214.06308	3.8
214.61227	1.1
215.03499	3.9
215.07164	1.7
216.00664	2.0
216.04196	2.5
217.01424	26.3
218.01779	2.2
219.02885	1.5
221.06067	1.1
223.04147	1.7
223.07625	1.6
224.04672	2.0
225.05547	4.2
226.06339	1.6
227.03610	5.0
227.07126	18.3
228.04257	2.0
228.07556	2.0
229.01411	2.1
229.05138	8.8
229.08667	28.3
230.02155	1.3
230.05759	1.7
230.08954	2.7
231.06641	19.9
232.07010	2.0
233.04465	1.9
237.05623	6.8
238.06329	2.5
239.03494	2.9
239.07143	25.6
240.04309	7.2
240.07536	2.0
241.05106	19.3
241.08728	1.7
242.02213	4.8
242.05672	2.2
243.02895	2.6
243.06613	3.7
251.07196	9.2
252.07790	1.2
253.05038	1.9
253.08740	1.5
254.05943	1.4
255.03038	3.1
255.06673	26.7
256.03717	3.5
256.07126	2.0
257.04324	2.0
257.08243	42.1
258.08475	3.2
264.04202	2.1
266.05411	1.6
267.02997	9.1
267.06564	3.2
268.03778	6.8
268.07187	2.0
269.04565	17.2
269.08133	5.7
270.05228	3.2
271.06223	24.3
272.06564	2.1
275.07288	1.4
279.06702	6.3
280.07162	1.5
281.04611	1.7
282.01645	3.2
282.05112	1.7
283.02649	2.8
283.06137	30.8
284.06647	3.9
285.07687	5.2
286.08167	1.7
293.08478	1.2
295.06143	1.7
296.03232	1.9
297.04089	4.3
297.07736	11.9
298.04904	2.5
311.05673	100.0
312.06024	10.7
313.07248	12.5
314.07452	1.5
319.09781	1.9
327.08798	1.2
337.10925	3.9
351.46384	1.2
357.07626	1.3
362.45685	1.3
386.07819	1.7
401.06772	1.4
405.09708	4.0
413.10251	2.2
429.05768	1.2
431.11374	3.4
439.08102	1.5
445.13303	2.6
457.09256	8.1
458.10025	1.3
459.10519	2.1
475.10394	4.8
509.30051	1.6
523.14075	4.0
525.15472	1.5
528.10736	3.7
533.12640	3.0
551.13708	38.8
552.14246	8.2
554.12555	1.5
569.14410	22.0
569.26111	5.0
570.14673	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	569.1466
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
59.01265	1.5
61.16358	0.7
61.98709	2.5
70.42197	3.2
96.95918	3.4
103.32996	0.7
105.80934	0.8
123.00838	1.1
146.06935	0.8
173.06033	1.1
216.07860	1.3
235.45428	0.9
255.03009	1.0
294.21902	0.8
301.05252	1.1
329.04596	1.2
353.08545	1.2
357.03955	2.1
358.04669	1.1
358.08774	1.0
359.05643	1.5
365.08054	0.9
372.06342	2.1
373.10904	2.3
381.07690	2.4
385.03485	1.1
387.09088	1.9
391.06329	1.3
393.07602	1.2
402.11267	2.6
403.12033	1.5
409.07306	4.9
414.03433	0.9
415.04709	1.5
424.09683	0.9
425.06845	2.4
436.06036	1.0
437.06824	4.2
447.04782	1.0
453.06140	3.7
465.06186	3.5
468.08301	1.4
481.05853	1.2
483.10876	1.1
493.05283	1.9
496.08026	3.0
507.06970	1.0
509.05353	3.3
509.15936	6.5
511.10376	3.3
523.10675	1.0
524.07556	14.6
525.07849	1.8
539.09973	47.8
540.10321	8.6
554.12292	37.2
555.12585	5.9
569.14648	100.0
570.14990	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	569.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.0
61.98692	1.7
67.01080	1.3
68.29017	1.5
71.29350	2.9
71.29687	1.8
87.92944	1.3
96.95904	3.3
97.02863	1.6
117.32732	1.3
121.02878	2.0
125.02440	2.4
145.93538	1.5
157.02911	3.8
158.03629	4.5
159.04459	9.5
161.02397	2.4
161.06070	2.0
162.03152	2.1
171.04610	1.8
173.02454	2.2
173.06018	3.4
174.03218	11.8
175.03870	3.5
183.04465	3.5
183.08156	1.6
185.06024	2.7
186.03192	8.1
187.04024	7.6
188.04785	15.7
189.01811	2.8
189.05386	1.5
190.02631	3.0
196.05286	3.0
197.06058	3.7
199.04004	5.3
199.07625	2.6
200.04768	1.9
201.01907	28.2
201.05634	4.7
201.09209	2.6
202.02702	11.4
203.03409	1.8
203.07112	1.9
209.06073	4.3
210.06898	2.1
211.04073	5.5
211.07587	9.5
211.34370	1.8
212.04781	3.9
213.02054	8.3
213.05533	14.0
214.02705	63.7
214.05974	8.9
215.03426	18.9
215.07054	2.5
216.04263	9.2
217.04834	1.7
221.06113	1.7
223.07597	3.4
224.04918	2.3
225.05515	5.9
226.02936	1.6
227.03523	18.1
227.07076	13.3
228.04185	4.4
228.07794	3.9
229.01463	27.2
229.05075	6.3
229.08723	28.8
230.02209	39.8
230.09044	2.0
231.02872	5.5
231.06622	14.9
237.05608	3.4
238.06401	5.0
239.07132	24.5
240.04324	2.9
240.07462	2.9
241.01472	8.4
241.05057	15.3
241.08783	3.1
242.02234	63.4
242.05742	3.1
243.02975	27.0
243.06723	3.8
244.03735	7.3
244.07355	1.9
246.01720	26.7
249.05566	2.3
250.06143	2.1
251.07198	7.7
252.07903	3.1
253.05147	3.3
254.02254	2.1
254.05922	2.5
255.03030	3.8
255.06627	13.9
256.03848	2.2
256.07407	12.6
257.08255	48.7
258.08621	6.5
265.05020	5.4
266.05927	2.0
267.03128	3.6
267.06671	12.9
268.03702	1.7
268.07306	4.4
269.01074	5.1
269.04669	6.3
269.08249	4.7
270.01776	49.7
270.04730	2.0
271.02533	41.7
271.06171	53.4
272.03152	5.6
272.06430	4.9
273.07782	4.1
274.01303	3.0
279.06595	9.2
280.07376	6.9
281.04947	2.3
281.08212	7.3
282.01703	1.7
283.02713	4.9
283.06192	86.1
284.03268	5.8
284.06708	11.2
285.07718	12.8
286.08124	2.1
293.08371	1.6
294.05341	1.9
295.06107	6.2
295.09399	2.2
296.06897	5.8
297.07718	17.9
309.04156	2.2
310.05103	1.8
311.05685	68.7
312.06113	8.1
313.07144	17.9
314.07471	2.0
321.07681	2.9
337.03638	3.0
339.08868	4.8
377.06778	2.2
379.08536	2.1
410.11313	2.3
436.09930	2.0
453.10324	2.3
454.10599	2.9
464.08984	4.4
465.09641	3.6
466.10623	3.0
482.10104	12.5
484.12033	4.3
489.13589	2.1
492.08417	3.6
507.14615	2.8
510.09634	19.8
511.09772	7.2
523.14612	2.1
525.15802	4.7
528.10754	100.0
529.11121	19.6
533.12592	4.1
541.15265	2.5
551.13611	32.9
552.14136	8.2
569.14691	96.0
570.15045	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	568.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61126	0.2
57.03321	0.4
57.11068	0.3
59.01265	3.3
60.01601	0.4
61.81558	0.3
61.98716	100.0
71.01270	2.9
71.60534	0.5
72.01584	0.5
72.99228	0.3
73.02838	0.8
75.00767	0.6
83.01311	0.4
85.02848	1.7
87.00808	0.4
88.24224	0.3
89.02320	0.6
89.86288	0.3
96.95926	0.7
99.00767	0.3
101.02327	1.5
102.02711	0.4
108.02096	0.4
108.62946	0.3
109.02878	0.6
113.02358	1.3
120.12162	0.3
153.00082	0.4
161.04488	0.4
165.05627	0.3
181.81995	0.3
195.06528	0.4
241.07274	0.3
267.07068	0.5
275.68112	0.3
282.40408	0.3
311.13351	0.3
315.08926	0.3
316.09308	0.4
328.09128	0.5
345.10217	0.4
373.22571	0.5
374.22751	0.9
375.19193	0.3
375.22873	1.4
376.23297	0.9
462.16296	0.5
502.07220	0.3
506.26624	0.7
507.27261	1.7
508.15656	0.4
508.27533	4.0
568.23462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61126	0.2
57.03321	0.4
57.11068	0.3
59.01265	3.3
60.01601	0.4
61.81558	0.3
61.98716	100.0
71.01270	2.9
71.60534	0.5
72.01584	0.5
72.99228	0.3
73.02838	0.8
75.00767	0.6
83.01311	0.4
85.02848	1.7
87.00808	0.4
88.24224	0.3
89.02320	0.6
89.86288	0.3
96.95926	0.7
99.00767	0.3
101.02327	1.5
102.02711	0.4
108.02096	0.4
108.62946	0.3
109.02878	0.6
113.02358	1.3
120.12162	0.3
153.00082	0.4
161.04488	0.4
165.05627	0.3
181.81995	0.3
195.06528	0.4
241.07274	0.3
267.07068	0.5
275.68112	0.3
282.40408	0.3
311.13351	0.3
315.08926	0.3
316.09308	0.4
328.09128	0.5
345.10217	0.4
373.22571	0.5
374.22751	0.9
375.19193	0.3
375.22873	1.4
376.23297	0.9
462.16296	0.5
502.07220	0.3
506.26624	0.7
507.27261	1.7
508.15656	0.4
508.27533	4.0
568.23462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77974	0.5
55.01786	1.4
57.03339	1.6
58.00474	1.1
59.01264	77.0
60.01598	1.4
61.98716	100.0
62.69220	0.6
69.24869	5.4
69.25275	1.2
70.15708	0.5
71.01267	25.9
72.99186	1.5
73.02829	6.7
75.00764	1.8
79.65783	0.6
83.01295	3.3
85.02839	9.5
87.00800	1.8
88.23820	0.6
89.02337	11.8
95.01308	2.0
96.95927	0.8
97.02825	0.7
99.00787	2.6
101.02345	18.0
105.07107	0.6
111.00797	0.8
113.02359	9.9
114.02724	1.0
116.92771	0.8
119.03426	3.5
125.02348	0.8
129.01843	0.6
143.03415	1.6
149.04492	0.7
151.00270	0.8
159.02963	2.5
159.04413	0.9
161.04517	9.4
179.05571	1.7
195.15860	0.7
213.01917	1.9
213.05586	1.2
213.18651	1.0
215.88548	0.6
225.05537	0.8
225.47971	0.6
237.05682	0.7
241.01353	3.5
242.02220	6.1
243.02908	0.9
253.05194	0.8
255.06726	0.7
265.05084	0.6
267.03549	0.5
267.06665	0.7
283.06384	1.0
337.10770	0.7
345.30176	6.0
346.30566	0.7
369.22678	1.0
391.11826	0.6
405.05951	0.7
415.04675	0.9
431.07706	3.3
432.07904	0.7
507.35422	77.9
508.35794	11.4
567.13055	11.0
567.26074	1.2
568.13422	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01267	5.3
60.29970	0.5
69.03349	1.5
70.66953	1.7
71.01264	3.8
72.99188	1.1
73.02815	0.9
75.00771	1.0
78.11499	0.5
85.02832	3.3
87.00784	0.6
89.02325	2.2
93.03378	1.0
93.06995	42.9
94.07329	1.2
95.01295	0.8
95.04949	0.9
96.95923	1.1
101.02348	1.7
113.02361	1.7
119.03372	1.1
137.06015	100.0
138.06325	2.6
140.88707	0.5
151.03914	0.9
152.01172	0.9
166.02736	0.8
181.05031	69.2
182.05368	3.3
191.01898	1.0
255.07945	0.8
268.09818	0.8
293.09381	2.2
311.10468	4.1
387.12299	0.9
473.16028	0.7
487.63834	0.6
491.17386	0.6
510.73340	0.6
567.14807	1.3
567.23517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01267	58.7
61.98720	100.0
70.54412	1.6
70.91017	1.6
71.01265	21.0
71.63094	2.2
72.99177	1.6
73.02834	7.6
83.01263	4.0
85.02849	7.4
87.00732	1.7
89.02345	13.6
95.01315	1.5
96.95908	7.4
101.02351	14.2
103.14413	1.6
109.02860	2.4
113.02377	9.4
119.03405	2.9
125.02411	2.4
141.01579	2.0
147.45905	1.7
149.04466	2.3
161.04510	5.8
200.02414	2.1
209.11766	2.5
213.12802	2.3
240.04306	2.9
253.05107	4.4
268.03662	3.4
278.55490	1.7
281.04617	3.2
297.55997	1.6
311.05676	2.4
312.61380	1.9
359.28067	2.2
369.22760	4.5
506.34348	3.1
507.34946	6.6
531.28308	6.0
539.13806	2.3
567.13336	13.6
567.25262	23.6
568.12769	3.0
568.26556	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	567.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.9
56.53780	0.6
57.03343	3.1
58.00484	1.6
59.01265	100.0
60.01619	0.8
69.03329	1.0
71.01271	20.1
71.49920	0.8
72.99203	2.5
73.02848	2.1
75.00759	7.2
83.01268	1.5
83.04915	1.4
84.02064	0.7
85.02848	9.4
87.00778	2.4
88.00308	0.8
89.02337	17.0
95.01286	1.6
96.95914	1.5
97.06507	1.3
99.00823	1.2
99.04414	9.8
100.04737	0.7
101.02333	10.9
108.02097	2.2
109.02862	6.0
109.06522	1.3
111.00715	0.6
111.04470	0.7
111.08074	2.2
113.02370	7.3
115.00287	1.3
119.03427	5.4
122.03687	0.7
123.04470	1.8
125.02338	1.3
129.01866	1.1
131.03442	0.8
134.03671	1.0
135.02917	9.0
135.04440	1.8
137.02400	2.1
143.03452	0.7
145.77921	0.6
147.02882	0.7
147.04521	1.2
149.02419	1.3
149.04482	1.5
150.03172	1.4
151.03949	1.8
152.01062	0.8
153.01903	2.5
161.04616	1.0
161.79581	0.6
165.04019	0.7
165.05542	1.4
165.12779	4.8
173.08173	6.1
175.04076	0.7
179.03505	1.2
179.05641	1.8
187.09705	4.9
189.12888	1.0
191.01950	1.5
193.05029	1.0
195.06607	1.6
207.13893	11.7
209.11819	31.0
210.12204	2.1
223.06123	1.6
225.14954	9.0
227.12921	8.1
251.12929	5.2
267.07077	1.4
269.13998	57.0
270.14334	5.2
287.15085	8.8
332.84058	0.8
379.19839	1.1
387.16577	5.5
388.17163	0.9
405.15851	3.8
419.19348	1.7
435.18542	3.9
449.20398	47.8
450.20874	5.6
461.16324	0.8
521.20416	2.6
523.27588	1.4
567.22968	89.4
567.30530	14.9
568.16461	0.8
568.23358	16.0
568.30896	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02153	0.1
53.59182	0.1
53.59586	0.1
55.01771	0.2
57.03337	0.2
58.00491	0.3
59.01265	8.2
59.31514	0.1
60.01601	0.2
61.98724	1.9
62.80540	0.1
63.81409	0.1
65.01085	0.1
65.03838	0.1
69.03336	0.2
70.91763	0.1
71.01271	6.8
71.62231	0.1
72.01611	0.2
72.99195	0.5
73.02845	1.6
75.00743	0.4
79.62908	0.1
83.01291	0.4
85.02847	1.5
87.00758	0.6
89.02341	7.7
90.02644	0.2
92.29359	0.1
93.03358	88.7
94.03690	2.5
95.01261	0.2
96.95905	0.3
97.02856	0.3
99.00779	0.4
101.02352	4.2
113.02360	1.3
119.03431	0.4
121.70665	0.1
125.02374	1.7
131.03424	2.4
134.03671	0.2
137.02386	0.1
143.03430	0.2
149.04500	5.6
149.05965	0.7
150.04820	0.2
159.23926	0.1
161.04546	0.2
167.03477	0.2
167.04892	0.2
169.06540	15.9
170.06909	0.9
191.05569	0.7
193.05038	0.2
213.05565	100.0
214.05910	6.5
227.07147	0.4
233.06717	0.1
243.02968	0.1
255.06761	0.2
257.83551	0.1
271.02530	0.4
275.07706	0.2
293.08887	1.6
300.02869	0.4
301.03336	0.1
493.19586	0.1
506.34366	0.2
507.14999	1.0
507.27963	0.3
507.35205	0.4
508.15839	0.2
546.27472	0.1
567.11517	0.4
567.24268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27735	0.4
55.01765	3.5
57.03339	4.1
58.00482	2.6
59.01265	81.5
60.01595	1.1
61.98719	4.9
66.00348	0.4
69.03335	0.7
70.90078	0.7
71.01270	50.6
71.04920	1.1
72.01604	0.7
72.99199	1.6
73.02837	14.8
75.00770	1.0
83.01276	6.9
83.36292	0.4
83.40605	0.3
85.02844	23.0
86.03210	0.6
87.00780	2.9
87.88084	0.4
89.02341	16.5
95.01280	4.8
97.02863	0.9
99.00779	5.7
100.90866	0.4
101.02348	36.1
102.02706	0.8
111.00798	0.5
113.02357	20.3
114.02708	0.5
119.03428	7.3
125.02346	0.9
129.01884	0.8
131.03461	1.1
139.00302	0.3
143.03424	3.9
149.04453	0.7
157.12347	0.6
159.02948	4.9
161.04501	25.8
162.04866	0.9
162.10033	0.3
171.13826	0.7
179.05591	5.7
205.03455	0.8
209.79475	0.3
237.22250	1.2
295.26355	0.7
297.24542	0.5
311.25989	0.5
313.27524	4.9
314.27780	0.6
325.27594	1.0
329.23517	0.6
341.27072	1.0
343.28577	29.4
344.29019	3.4
357.26602	2.5
358.27496	0.4
437.10614	0.4
505.33942	100.0
506.34253	18.5
542.69147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09961	1.0
55.01756	1.9
55.21881	1.0
57.03337	3.0
58.00476	2.7
59.01267	100.0
61.98719	21.9
69.03344	1.1
70.83396	3.2
71.01272	55.8
72.99194	1.4
73.02840	9.5
83.01275	4.0
85.02844	23.0
87.00800	2.8
89.02338	37.1
95.01289	4.4
99.00799	5.2
101.02351	36.7
101.03019	1.8
104.69401	1.1
111.10949	0.9
112.24214	1.0
113.01627	1.9
113.02361	21.3
114.02670	1.3
119.03426	16.0
131.03450	1.4
143.03432	5.5
149.04449	1.4
159.03003	2.5
161.04514	23.0
179.05589	13.3
184.93994	1.1
213.18567	1.7
313.27386	1.8
343.28616	17.4
344.28772	1.5
409.32159	1.2
505.33963	95.2
506.34186	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	567.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23015	1.8
51.58093	1.6
53.47124	1.7
59.01269	21.0
59.85062	2.1
61.98723	18.9
71.01264	3.2
71.62278	2.5
85.02840	2.9
87.64906	1.6
89.02349	3.0
93.03361	2.3
95.01288	3.6
96.69041	1.7
96.95927	7.0
101.02358	4.0
108.02096	5.3
109.02882	15.1
114.44707	1.6
121.02892	24.0
121.03708	3.1
123.00811	9.6
123.04452	3.6
124.01646	2.1
133.02885	4.4
138.03171	9.3
141.01614	6.8
153.05531	2.5
167.04929	2.3
171.04439	3.2
183.04436	4.3
195.04488	3.9
197.06120	2.4
199.03955	4.6
211.04094	11.5
211.06007	1.6
212.10899	2.1
221.06100	2.1
222.06850	1.9
225.05597	3.1
226.02779	2.2
227.03479	13.6
239.03476	7.3
240.04352	18.7
241.05070	4.4
250.55057	1.9
252.04199	2.2
253.05106	6.1
254.02209	19.6
254.05861	5.6
255.03033	73.2
255.06593	13.3
256.03604	10.3
257.04510	8.1
265.05045	5.7
266.05878	8.0
267.03027	6.5
267.06604	5.0
268.03995	2.1
269.04544	11.3
270.05420	32.9
271.06003	4.0
272.06970	6.0
281.04907	4.1
281.08231	47.6
282.05295	3.0
282.08585	4.0
283.05960	2.4
284.06992	11.2
285.07755	55.1
286.08115	5.2
287.09317	16.1
297.07697	4.6
311.06155	2.4
311.09262	10.6
315.06598	2.0
329.04718	2.1
329.08502	2.8
331.06461	2.4
343.06302	2.1
353.08167	2.5
355.05988	4.2
356.07037	3.2
357.07767	2.9
358.04782	2.2
359.05557	2.4
369.07675	2.9
369.22800	2.5
372.06519	3.7
384.06366	2.0
386.07596	2.0
397.07233	4.3
398.08038	9.4
399.08829	5.3
400.06049	7.8
413.05591	2.6
413.10822	17.6
414.11401	3.9
415.08810	8.8
429.09549	3.0
445.13980	14.5
449.10904	2.1
457.13785	2.8
477.09845	2.2
481.09552	4.3
505.09042	2.9
509.08646	3.2
519.10791	3.1
535.14563	2.2
537.08264	6.1
549.16016	10.1
552.15302	10.0
567.16003	100.0
568.16144	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	565.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03329	3.1
58.00468	2.0
58.99143	0.9
59.01264	100.0
61.98716	20.6
71.01269	51.6
71.01675	2.1
71.40992	1.5
72.01577	1.2
72.99180	1.5
73.02824	9.2
78.83227	0.9
83.01265	4.9
85.02840	17.0
87.00771	2.8
87.04424	2.1
87.15176	0.8
89.02335	44.3
95.01270	3.7
97.06520	1.0
99.00762	4.2
101.02345	36.3
102.02697	1.0
113.02361	23.0
119.02599	1.7
119.03414	24.5
125.02302	1.1
129.01880	1.8
131.03409	3.3
143.03435	7.4
149.04469	2.0
159.02927	2.6
161.04492	23.7
162.04776	1.6
179.05574	20.4
195.00935	0.9
203.74249	0.9
211.17003	1.4
213.18622	5.5
213.20335	1.2
213.86011	1.0
279.23413	1.2
313.27667	1.7
337.40317	1.1
343.24258	1.3
343.28543	21.9
344.28943	2.2
376.81616	0.9
465.25244	1.0
505.33905	60.3
506.34427	8.6
565.11530	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	565.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16197	1.1
55.01765	1.7
57.03330	4.0
58.00480	1.9
59.01268	100.0
60.01591	2.1
61.98724	11.2
65.71712	1.4
71.01271	46.8
71.11353	1.8
71.11668	1.8
72.99210	3.1
73.02843	9.3
74.32453	1.2
74.47712	1.1
75.00759	3.1
83.01291	5.5
85.02835	14.4
87.00768	4.6
89.01832	2.1
89.02350	31.3
91.01782	2.1
95.01288	4.5
96.95935	7.5
97.02833	1.8
99.00787	3.9
101.02354	30.6
102.01610	1.2
109.02912	1.6
113.02360	21.2
119.03431	12.7
125.02419	1.9
131.46812	1.1
139.03914	1.3
141.01706	1.5
143.03426	3.3
149.04565	1.7
149.06013	1.4
153.01826	1.6
159.02899	2.5
161.04515	12.0
179.05565	5.4
206.15709	1.3
213.18587	3.5
302.54681	1.4
308.77393	1.4
317.21738	1.5
343.28653	6.9
352.75827	1.3
403.08340	3.5
445.31790	4.6
463.32507	2.2
505.34015	74.6
506.34201	13.5
523.28632	2.1
541.21289	1.4
565.07257	6.4
565.30450	7.0
566.08478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03330	2.4
58.00483	2.1
59.01265	85.0
61.98702	2.6
69.96457	5.1
71.01271	46.7
72.99165	1.3
73.02830	7.2
83.01281	4.4
85.02846	15.7
87.00769	3.6
89.02338	43.8
93.06998	2.1
95.01318	2.4
99.00800	2.5
101.02342	35.7
101.03024	1.8
111.08120	1.3
113.01712	0.9
113.02364	21.9
119.03432	21.9
121.54916	1.2
122.97705	1.0
131.03430	1.3
134.03694	1.3
139.27806	1.1
143.03448	4.6
149.04521	1.3
159.02881	1.6
160.15598	1.1
161.04509	14.2
179.05595	7.4
213.18555	5.3
343.28735	6.4
344.28787	1.7
505.33963	100.0
506.34268	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	565.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18250	10.9
52.16797	11.5
59.01263	100.0
61.98717	61.6
71.01266	24.8
71.60776	18.2
75.00774	17.6
85.02841	22.1
96.95947	61.3
101.02393	23.6
247.48712	10.6
273.50076	13.5
278.11026	11.9
293.21262	16.4
296.50714	11.4
505.30182	14.8
565.27795	41.4
566.29132	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	565.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36465	0.7
55.01777	5.1
55.79594	0.6
57.03342	4.3
58.00465	1.1
58.20447	0.7
59.01267	46.6
61.98717	1.3
66.99915	0.7
69.03339	1.1
69.41064	6.0
71.01270	63.1
72.01606	1.3
72.99190	1.8
73.02837	23.1
75.00729	0.9
83.01270	9.6
85.02843	30.3
86.03181	1.1
87.00771	2.9
89.02343	13.5
95.01302	4.0
97.02856	2.6
98.19838	1.4
99.00773	10.7
101.02347	46.5
102.02695	1.3
108.01983	0.8
111.00803	1.2
113.02354	27.8
114.02702	0.8
119.03445	1.8
125.02361	2.9
129.01837	1.6
131.03430	1.9
137.02272	1.0
143.03436	3.1
149.04526	2.3
152.01102	1.1
159.02933	4.2
161.04504	23.5
177.28615	0.7
191.05571	0.8
205.03510	0.8
223.06171	0.9
233.06639	0.8
293.08929	1.1
373.22391	81.7
374.22794	8.7
397.53912	0.8
417.21167	0.9
505.26721	100.0
505.33496	6.2
506.27054	13.8
506.33972	1.1
523.34845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.5
56.21706	0.7
57.03326	3.9
58.00487	2.7
58.19495	0.7
59.01265	100.0
60.01608	3.6
61.01691	1.5
61.98717	21.4
69.03346	2.0
69.35630	1.2
69.36035	6.2
71.01269	50.2
72.01640	1.8
72.99207	4.3
73.02834	15.1
75.00768	2.1
83.01276	5.7
84.01620	0.7
85.02844	20.5
87.00784	3.8
87.04441	1.3
88.98738	1.1
89.02336	37.5
90.02672	1.3
93.03347	1.9
95.01270	3.7
96.95938	1.5
97.02864	2.2
99.00769	8.4
99.01245	0.7
100.01128	1.1
101.02345	34.9
102.02695	2.2
108.02111	1.8
109.02849	1.0
113.02361	25.2
114.02730	2.4
115.03960	1.4
119.03423	10.9
121.02908	0.9
123.04475	1.7
125.02398	2.4
131.03423	4.7
137.02383	0.9
143.03470	3.3
149.02495	0.8
149.04514	3.4
150.03214	1.3
153.02008	0.9
159.02975	3.2
161.02451	0.9
161.04509	13.6
165.05504	0.8
179.05629	2.5
180.02519	0.9
181.02933	1.1
183.14043	1.4
191.05653	1.4
195.06665	0.8
201.15050	1.2
233.06718	1.5
293.08969	0.9
342.27637	1.4
360.28516	2.1
361.29474	3.8
373.22348	14.3
374.22955	1.0
399.23953	1.1
403.15729	0.8
445.16745	0.9
459.26379	1.1
503.32541	2.1
504.32648	7.0
505.26944	96.4
505.33975	32.8
506.27280	11.6
506.34644	3.0
522.33899	2.9
523.34662	9.4
523.41858	0.7
524.35156	1.2
565.16650	1.4
565.25714	1.5
565.35718	1.6
585.73273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11242	0.5
53.94742	0.3
55.01772	1.4
57.03343	2.5
58.00487	0.4
59.01267	31.9
61.98705	1.1
64.14431	0.3
68.99697	0.5
69.03338	1.0
71.01273	18.0
72.99203	1.9
73.02837	5.4
75.00767	0.6
81.03338	0.5
83.01278	3.4
85.02843	13.0
85.99985	0.8
87.00777	3.9
89.02342	4.8
93.03371	0.9
95.01294	3.4
97.02858	1.1
97.06496	0.4
99.00791	2.5
101.02345	8.2
108.02070	1.1
109.02872	4.7
111.00797	0.7
111.04434	0.5
112.01591	0.4
113.02361	10.2
116.92767	1.6
119.03417	1.5
121.02869	9.6
121.03672	0.6
122.03675	7.3
123.00789	0.5
123.04445	2.3
124.01584	1.9
125.02390	1.1
129.01811	0.7
129.03368	0.5
134.03644	1.0
135.04460	2.1
136.05234	1.4
137.02419	2.7
137.06013	0.6
143.03416	1.2
145.02800	0.4
146.03705	0.8
147.02826	0.4
147.03220	0.5
147.04465	6.5
148.05208	0.8
149.04503	0.5
149.05983	1.3
150.03218	0.8
151.00299	1.0
151.03951	0.6
153.01820	0.5
154.02667	1.9
159.04437	0.4
160.05344	0.4
161.02464	0.4
161.04652	0.7
161.06015	3.4
162.06813	1.3
163.03951	0.6
163.07431	0.4
164.04686	0.8
165.05528	17.1
166.05862	0.7
168.04234	0.4
173.05991	0.8
174.06798	0.8
175.03900	0.6
175.07593	1.4
176.08331	0.7
177.05521	0.6
178.06316	0.4
179.05630	0.7
179.07092	4.7
180.07838	0.5
186.37865	0.3
189.09276	0.4
190.06311	0.4
191.01941	1.6
191.07106	2.3
192.07834	0.5
193.05002	0.6
193.08727	0.8
205.54050	0.3
207.10153	0.6
207.14000	0.4
209.08249	0.5
223.09843	0.6
227.03430	0.5
230.03229	0.5
256.03638	0.6
257.04636	1.8
269.14093	0.4
283.09747	0.6
284.10474	0.4
297.11478	0.8
298.12155	2.7
311.13019	0.5
313.11172	0.6
313.14505	4.7
315.12564	1.3
316.02127	0.4
316.13138	0.9
327.12494	0.7
328.13208	3.5
329.13937	1.6
331.15634	1.7
343.15576	8.3
343.21252	1.6
344.15891	1.3
346.14252	5.7
347.14853	2.2
361.16647	46.6
362.17001	5.8
373.12946	1.3
373.17612	0.4
385.12845	0.5
385.22458	0.5
403.13370	0.6
403.23276	3.5
431.17264	0.6
445.19019	0.6
449.21017	0.4
457.18747	0.6
475.19809	1.2
490.18164	0.6
505.20914	100.0
505.96515	0.4
506.21231	17.5
523.21960	39.3
524.22351	7.6
555.48676	0.4
565.15265	2.0
565.22650	8.9
566.15387	0.5
566.23419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2307
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
53.77765	0.2
55.01768	1.1
57.03341	2.0
58.00476	0.6
59.01264	26.7
60.01609	0.3
61.98721	0.4
67.00826	0.2
68.99731	0.2
69.03339	0.8
69.78177	0.4
69.78583	0.9
71.01269	16.3
72.99195	1.4
73.02835	4.4
73.61676	0.2
75.00777	0.5
81.03357	0.3
83.01269	2.9
84.02081	0.2
85.02843	11.8
86.00008	0.3
86.03190	0.2
87.00772	2.5
89.02335	4.2
93.03382	0.7
95.01286	2.7
97.02867	1.0
99.00780	2.0
100.79852	0.2
101.02351	6.3
108.02087	0.8
109.02860	4.1
111.00797	0.5
112.01564	0.4
113.02358	7.7
115.03889	0.4
119.03400	1.1
119.04880	0.2
121.01984	0.5
121.02864	9.0
122.03673	8.1
123.00776	0.2
123.04459	2.2
124.01585	1.4
125.02367	1.2
129.01869	0.5
129.03391	0.4
134.03644	0.8
135.04443	1.7
136.01604	0.4
136.05241	1.3
137.02400	1.9
138.03195	0.3
141.01891	0.2
143.03442	0.8
146.03665	0.5
147.03125	0.4
147.04442	5.8
147.05614	0.3
148.05188	0.8
149.06038	1.1
150.03143	0.4
151.03952	0.3
154.02679	1.7
160.05226	0.7
161.04556	0.6
161.06035	3.4
162.06793	1.7
163.04005	0.5
163.07549	0.3
164.04703	0.6
165.05525	15.7
166.05896	0.6
168.04182	0.4
173.06004	1.0
174.06815	0.8
175.03934	0.4
175.07587	1.2
176.04659	0.4
176.08437	0.4
177.05544	0.5
178.06268	0.5
179.05615	0.2
179.07089	4.3
189.05513	0.2
189.09094	0.4
190.06372	0.4
191.01906	1.2
191.07120	2.1
192.07748	0.3
193.05084	0.2
193.08630	0.5
203.07187	0.4
205.08713	0.4
207.10158	0.2
209.08221	0.7
221.08363	0.2
223.09734	0.5
257.04706	0.3
281.11917	0.2
283.09711	0.4
295.09317	0.2
295.13620	0.2
297.11411	0.6
298.12219	1.9
299.12802	0.6
301.11151	0.2
311.12878	0.4
313.11053	0.3
313.14478	5.3
314.14905	0.5
315.12552	1.3
316.13107	0.6
327.12354	0.5
328.13232	3.4
329.13873	1.8
331.15509	0.7
343.11472	0.4
343.15591	8.3
344.16058	0.9
346.14282	5.7
347.14886	1.9
361.16638	44.1
362.16977	5.7
385.12842	0.2
389.18286	0.3
403.18030	0.6
403.23453	0.8
415.17276	0.3
417.19122	0.6
445.18765	0.5
449.20441	0.4
457.18613	0.5
475.20026	1.2
490.18918	0.4
505.20898	100.0
506.21194	16.4
523.21948	38.4
524.22308	6.3
565.15063	0.7
565.22913	6.2
566.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	21.6
61.98712	11.3
71.01268	7.1
71.62975	3.1
73.02843	1.9
85.02837	2.8
85.62943	1.8
89.02345	2.5
96.95915	6.8
101.02376	4.5
104.79462	1.8
113.02363	3.3
140.98994	1.8
159.79924	1.8
163.00952	10.9
170.06068	2.2
171.06969	4.1
175.22272	1.8
179.04082	2.2
180.04869	5.3
202.03282	7.6
204.04881	76.2
205.05147	5.5
230.02841	6.8
247.05504	33.2
248.05801	2.5
253.43027	2.2
271.22778	8.0
281.56046	2.1
319.07648	100.0
320.07941	8.1
373.22128	2.2
433.28110	8.5
527.59283	2.4
565.11969	2.7
565.33026	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	563.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.7
57.03338	2.9
58.00484	2.4
59.01265	100.0
60.01601	1.1
60.99181	0.3
62.95370	0.3
63.31199	0.3
69.03336	0.5
69.33809	1.6
69.34235	1.1
71.01271	49.4
71.04903	1.8
72.01612	0.7
72.99207	2.2
73.02838	11.1
73.03251	0.6
75.00774	0.5
79.68649	0.2
83.01277	4.2
83.04903	0.3
85.02843	13.9
85.06521	0.4
86.00013	0.3
87.00779	2.2
87.04424	1.0
89.02338	55.8
90.02659	1.2
93.06997	0.6
95.01303	2.6
96.70147	0.2
96.95905	4.1
97.02862	1.0
97.06487	0.5
99.00774	3.7
101.02349	34.0
101.78875	0.3
102.02687	1.0
111.00803	0.5
111.08015	0.4
113.02357	21.1
114.02714	0.6
114.06712	0.2
115.03915	0.4
119.03421	7.0
120.03816	0.2
120.23381	0.2
121.10157	0.7
123.08086	0.6
124.01591	0.3
125.02365	2.0
131.03426	15.5
132.03716	0.3
135.08136	0.3
137.09576	0.2
137.55183	0.2
143.03456	3.3
143.10800	0.3
149.04498	45.6
150.04750	1.1
153.09207	0.3
155.10667	0.4
157.12247	1.4
159.02924	1.2
161.04507	8.9
165.12785	0.4
171.13818	0.3
179.05565	1.5
181.15971	0.4
183.13878	2.1
185.15341	0.6
191.05571	5.6
199.13432	0.7
201.14975	0.8
202.37785	0.2
209.15414	0.3
211.17099	0.3
221.06622	0.7
229.18118	4.0
251.07719	0.5
253.09200	0.5
293.08759	1.1
311.09973	2.1
312.10126	0.3
327.21722	1.1
341.27112	1.9
344.38797	0.2
359.23660	0.3
359.28098	4.6
360.28516	0.6
371.20749	0.3
373.22461	1.7
383.28040	1.0
391.23480	1.3
401.29297	0.3
425.29401	0.3
433.27798	0.3
485.31381	0.4
503.32364	41.6
504.32651	5.7
521.33441	11.4
521.41553	0.4
522.33716	1.2
563.14429	0.8
563.35162	1.8
564.34601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75329	0.5
55.01759	2.0
57.03341	3.2
58.00480	1.1
59.01265	26.0
59.28042	0.6
61.98717	3.0
63.02283	1.2
69.03340	0.8
71.01269	35.1
71.59395	0.6
72.01607	0.7
72.99205	2.2
73.02835	12.0
75.00769	2.2
80.53885	0.6
83.01273	5.6
85.02837	19.2
87.00780	2.7
88.98685	0.9
89.01830	1.1
89.02338	12.1
93.03348	1.1
95.01299	2.1
96.95918	3.1
97.02833	1.5
99.00766	5.9
99.04466	0.6
101.02346	25.7
102.02690	0.7
107.01288	1.2
109.02872	0.7
111.00836	0.8
113.02352	12.5
115.03991	0.7
117.03358	3.5
118.49639	0.5
119.03407	1.6
125.02348	2.2
129.01872	1.5
131.03435	1.8
135.04477	0.6
137.02388	0.7
143.03453	1.1
149.02371	1.2
149.04456	3.6
149.05495	0.5
150.03165	0.6
151.00285	1.1
159.02931	3.1
159.04349	1.0
161.02432	1.3
161.04503	10.6
175.02455	0.9
179.05669	0.6
181.06706	0.7
189.12872	0.8
191.01897	0.9
193.04945	0.7
201.05537	1.1
203.03490	0.7
225.05547	0.9
241.04887	0.6
249.11298	0.6
268.03827	8.4
269.04599	100.0
270.04935	8.9
282.05209	0.9
283.06299	0.7
293.08707	0.8
295.06027	0.7
297.07742	2.2
307.06625	0.6
311.05765	1.3
325.07217	0.7
328.06000	0.7
329.13962	3.0
341.06720	0.7
353.06796	3.8
359.14548	1.1
365.06662	0.8
371.20795	30.4
372.21225	3.5
383.07773	3.4
383.12088	0.8
387.10834	2.2
413.08740	1.8
430.42569	0.6
443.09827	1.8
473.11081	3.1
474.11044	1.0
503.19559	2.6
503.25153	49.1
504.25577	7.3
519.24738	0.6
521.20599	1.7
544.34589	0.6
545.13403	1.7
563.14166	21.4
563.23096	5.0
564.14484	3.9
564.22736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.7
57.03340	13.6
58.00478	2.2
59.01267	87.5
60.01608	1.3
61.98715	3.6
65.00226	1.2
68.99679	1.4
71.01273	61.5
71.40823	1.7
72.01598	0.9
72.99194	4.7
73.02840	18.4
74.02369	1.1
75.00758	5.9
81.03364	1.3
83.01288	8.5
84.02044	2.6
85.02845	100.0
85.80112	0.9
86.03198	2.6
87.00775	5.6
89.02342	32.8
95.01278	3.1
96.95924	4.6
97.02867	1.1
97.06493	0.9
99.00781	5.9
99.04432	15.4
101.02349	38.2
103.00271	1.8
108.02084	1.8
109.02854	3.2
111.00806	1.5
111.04414	1.1
111.28053	0.8
113.02357	24.4
115.00309	1.0
117.03376	1.9
119.03422	9.8
119.04971	0.9
121.02902	1.2
123.04372	1.1
125.02336	3.1
129.01883	9.0
131.03433	11.9
133.02882	1.5
135.02939	1.5
135.04434	1.3
139.67381	1.0
143.03430	4.1
145.02856	1.7
147.02940	19.7
147.71799	0.9
148.07620	1.5
149.04520	7.1
149.05956	2.7
150.04765	1.3
151.03839	1.0
151.04939	1.0
159.02931	1.7
159.04262	0.9
160.05229	1.1
161.02425	0.9
161.04523	13.9
163.14958	1.1
179.05573	3.8
181.30611	0.9
189.12811	4.1
190.06277	1.5
190.08734	1.3
191.01962	31.5
191.14474	0.8
205.12308	2.8
207.13911	19.2
208.14253	1.8
209.03026	17.2
209.11885	2.2
211.03922	1.7
211.07544	1.1
223.13454	2.0
227.03528	1.5
228.04135	1.1
237.05515	0.9
240.04375	1.6
243.03014	1.2
249.06122	1.1
249.11401	1.8
251.12943	51.5
252.13177	4.9
254.05893	2.7
255.03217	1.2
255.03894	1.5
255.06654	13.6
256.03845	2.5
256.06790	1.7
268.03854	3.5
269.04620	21.1
269.13995	1.4
270.04935	4.0
271.02548	2.9
272.03076	1.0
273.96576	0.9
281.04587	1.0
285.04080	1.3
293.08817	1.4
295.06473	1.1
295.09622	1.0
297.07791	1.7
299.01953	6.1
300.03152	1.7
309.04153	1.2
312.10229	1.8
314.04346	3.5
315.05121	2.3
323.05493	1.2
327.12387	4.4
341.13974	6.2
353.06766	1.4
371.20810	35.0
372.21066	3.7
383.07687	2.1
383.17007	1.2
399.06958	1.9
401.08865	1.5
401.21854	2.4
413.08868	1.6
431.19193	35.4
432.19467	4.2
473.10742	1.1
503.25208	38.7
503.32068	2.3
504.25433	7.3
519.11353	3.8
563.14502	20.9
563.23517	47.2
564.15076	3.9
564.23901	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	563.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.2
57.03340	6.7
58.00479	1.4
59.01264	100.0
60.01609	1.6
61.98719	4.9
64.60626	0.5
68.99680	0.6
69.03339	1.3
69.07677	0.5
69.43132	5.2
71.01270	39.7
71.04917	0.8
72.01611	0.6
72.99198	2.9
73.02837	11.7
75.00779	2.9
83.01286	6.1
83.04918	0.8
84.02072	1.3
85.02843	47.3
85.06534	0.6
86.03201	1.2
87.00771	5.0
87.04410	1.4
89.01794	0.4
89.02338	12.7
89.02843	1.1
93.03356	0.9
95.01297	4.3
95.04900	0.6
96.95937	1.4
97.02883	2.1
97.06512	0.9
99.00796	5.1
99.04342	0.7
101.02341	25.3
102.02668	0.5
103.00261	0.8
108.02110	0.5
109.02901	0.7
111.00813	1.6
111.08104	1.0
113.02357	17.0
113.30709	0.5
114.02676	0.6
115.00299	0.6
115.03938	0.7
115.41393	0.6
118.49385	0.6
119.03436	4.3
122.90602	0.6
125.02374	2.8
128.03485	1.9
129.01883	3.9
131.03479	1.5
137.02426	1.8
137.73946	0.6
139.00281	0.6
143.03426	3.3
147.02925	8.2
147.04440	1.0
148.05286	0.8
149.02411	1.7
149.04642	1.3
149.06053	5.9
157.06085	0.7
157.12279	0.6
159.02972	1.9
160.03937	0.7
161.04492	11.4
164.04773	2.0
164.16515	0.7
169.12294	0.7
179.01733	0.7
179.05647	1.4
179.07169	2.2
180.02467	10.7
180.03929	0.8
181.03235	0.7
181.12308	1.0
191.01981	9.9
197.11792	4.0
199.07251	0.8
199.13420	1.2
201.14970	1.7
209.03078	1.0
209.15411	0.7
211.13547	0.9
229.18222	1.5
253.09247	3.7
269.04596	1.9
277.09283	0.8
285.21478	0.6
286.10632	2.5
297.07843	0.8
309.20892	0.6
315.18185	4.1
327.21829	9.6
327.25375	0.8
328.22223	1.3
341.27109	2.0
353.06906	2.0
357.20532	1.1
357.26392	0.8
359.28156	5.8
371.11658	0.6
371.21042	0.7
380.10373	1.1
383.07974	1.0
401.19815	5.6
401.25211	1.2
402.20020	1.2
403.04898	0.9
430.06955	1.0
454.35376	0.6
461.24017	22.6
462.24374	2.6
467.13995	1.0
503.25269	23.5
503.32642	37.9
504.25604	3.5
504.33035	5.4
521.33478	11.7
522.34137	1.5
563.14435	6.4
563.35211	5.4
564.14044	0.7
564.32013	0.8
581.97467	0.6
586.79224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75329	0.5
55.01759	2.0
57.03341	3.2
58.00480	1.1
59.01265	26.0
59.28042	0.6
61.98717	3.0
63.02283	1.2
69.03340	0.8
71.01269	35.1
71.59395	0.6
72.01607	0.7
72.99205	2.2
73.02835	12.0
75.00769	2.2
80.53885	0.6
83.01273	5.6
85.02837	19.2
87.00780	2.7
88.98685	0.9
89.01830	1.1
89.02338	12.1
93.03348	1.1
95.01299	2.1
96.95918	3.1
97.02833	1.5
99.00766	5.9
99.04466	0.6
101.02346	25.7
102.02690	0.7
107.01288	1.2
109.02872	0.7
111.00836	0.8
113.02352	12.5
115.03991	0.7
117.03358	3.5
118.49639	0.5
119.03407	1.6
125.02348	2.2
129.01872	1.5
131.03435	1.8
135.04477	0.6
137.02388	0.7
143.03453	1.1
149.02371	1.2
149.04456	3.6
149.05495	0.5
150.03165	0.6
151.00285	1.1
159.02931	3.1
159.04349	1.0
161.02432	1.3
161.04503	10.6
175.02455	0.9
179.05669	0.6
181.06706	0.7
189.12872	0.8
191.01897	0.9
193.04945	0.7
201.05537	1.1
203.03490	0.7
225.05547	0.9
241.04887	0.6
249.11298	0.6
268.03827	8.4
269.04599	100.0
270.04935	8.9
282.05209	0.9
283.06299	0.7
293.08707	0.8
295.06027	0.7
297.07742	2.2
307.06625	0.6
311.05765	1.3
325.07217	0.7
328.06000	0.7
329.13962	3.0
341.06720	0.7
353.06796	3.8
359.14548	1.1
365.06662	0.8
371.20795	30.4
372.21225	3.5
383.07773	3.4
383.12088	0.8
387.10834	2.2
413.08740	1.8
430.42569	0.6
443.09827	1.8
473.11081	3.1
474.11044	1.0
503.19559	2.6
503.25153	49.1
504.25577	7.3
519.24738	0.6
521.20599	1.7
544.34589	0.6
545.13403	1.7
563.14166	21.4
563.23096	5.0
564.14484	3.9
564.22736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03344	4.8
58.00491	1.3
58.36946	0.5
59.01268	100.0
60.01619	0.9
61.98721	1.4
63.85919	0.5
69.03348	1.5
69.93904	0.5
70.40397	0.5
71.01274	33.0
71.40456	1.0
72.01608	0.6
72.09554	0.5
72.99211	1.8
73.02839	19.5
75.00776	1.2
83.01281	6.4
85.02848	14.2
85.06502	1.0
87.00790	2.6
87.04422	0.8
88.98779	0.6
89.02340	11.0
93.07024	1.2
95.01297	2.7
96.95924	1.7
97.02869	0.8
99.00774	3.3
99.04400	0.7
101.02349	24.8
105.01876	1.1
106.89054	0.5
108.02082	0.7
111.00824	0.7
111.86717	0.5
113.02362	17.6
117.03464	0.6
117.96014	0.5
119.03416	4.1
121.02927	1.2
125.02406	1.3
129.01929	0.9
131.03471	2.2
133.59630	0.4
143.03433	2.4
143.10724	1.2
147.02960	1.0
149.04541	1.8
153.01921	0.6
153.09236	0.7
153.57732	0.6
156.73380	0.6
159.03012	0.9
161.04510	9.1
179.05637	1.0
191.02003	1.8
211.04126	2.0
224.04904	0.8
229.18144	5.2
238.06459	0.7
239.03645	0.7
240.04399	1.5
251.12938	0.6
254.05925	2.4
255.06685	2.2
255.10355	1.6
269.04626	2.9
269.08142	0.5
270.12906	0.7
281.08334	1.9
282.09119	0.8
283.06644	0.8
283.09799	7.1
283.12399	0.7
284.10410	1.2
294.09140	0.9
295.09964	1.2
296.10617	1.1
297.07788	0.7
297.11453	0.8
298.12289	0.9
309.11398	0.6
310.12170	0.8
311.09332	17.4
312.09860	1.8
314.11710	0.7
325.11053	1.7
326.11670	12.5
327.12463	2.3
329.13950	1.0
341.14011	16.1
341.17905	0.9
341.27298	1.4
342.14511	1.7
353.06781	0.7
355.11987	0.7
359.28018	3.6
383.08191	0.8
431.18936	0.6
458.15912	0.8
470.15979	0.9
473.18567	2.4
476.17130	1.0
485.18317	4.0
488.16855	0.9
491.19565	2.8
503.20001	5.3
503.32376	22.7
504.19891	0.6
504.32770	3.5
521.33496	8.5
533.20264	3.8
534.21002	1.0
545.20367	2.8
546.21515	0.8
557.83508	0.7
563.15906	2.9
563.24243	1.1
563.34869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31545	0.8
55.01778	1.4
57.03336	3.7
58.00486	1.7
59.01267	100.0
60.01600	1.0
61.98737	1.2
69.03366	1.0
69.39739	7.2
71.01272	29.8
72.99208	1.9
73.02840	19.8
75.00797	1.2
83.01276	6.0
85.02843	11.9
85.06483	1.1
87.00791	2.9
89.02337	12.0
95.01321	2.7
95.08437	0.8
96.95924	1.5
97.02862	1.2
98.19815	1.1
99.00802	2.4
101.02349	26.6
101.03019	1.4
105.01837	1.4
109.02921	0.7
111.86878	0.8
113.02361	17.3
117.12630	0.7
119.03416	3.6
121.02892	1.9
125.02412	1.6
131.03467	1.9
143.03444	3.5
143.10770	1.5
145.02878	1.4
147.02917	0.8
149.04500	2.3
159.04512	1.2
161.04514	9.5
178.04800	0.8
202.95590	0.8
209.11926	1.0
211.04111	2.1
229.18074	3.4
238.06505	1.6
240.04370	1.4
241.08688	0.9
251.12959	1.8
253.08995	1.3
254.05959	1.4
255.06737	1.5
255.10414	1.6
265.08698	1.2
267.06927	1.2
268.07553	1.4
269.04712	1.7
269.08368	1.2
280.07495	1.3
281.08279	4.4
282.09027	1.9
283.09827	11.8
284.10324	1.7
293.08337	1.1
294.09070	1.6
295.09985	2.1
296.10577	1.7
297.11328	1.0
299.09482	1.5
311.09332	20.3
311.12769	1.6
312.09933	3.3
314.11844	2.2
315.12451	1.9
322.08994	0.7
325.10907	2.7
326.11633	15.9
327.12271	3.3
327.22052	1.0
329.14005	3.5
335.19305	0.8
341.10205	1.5
341.13980	26.6
341.27197	1.3
342.14539	2.5
343.12122	1.0
355.12173	2.7
359.28281	3.9
383.28549	0.9
455.13864	1.9
458.16187	2.2
470.16409	2.1
473.18317	11.8
474.18863	1.7
476.17325	3.1
485.18277	12.2
486.18896	1.4
488.17181	1.8
491.19324	10.3
492.19916	0.8
503.19513	13.6
503.32306	20.1
504.20108	2.2
504.33090	2.6
505.57385	0.8
521.33588	5.4
533.20361	15.0
533.27631	1.0
534.21289	2.9
545.20599	10.2
546.21405	2.7
563.16455	2.1
563.24469	1.8
564.16724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84192	0.3
59.01265	1.0
59.14721	0.4
69.39486	0.6
69.39834	4.1
71.01277	1.1
75.86284	0.4
77.98126	0.4
79.01804	0.4
84.59138	0.4
85.02853	3.4
93.03358	1.4
106.18454	0.4
107.04982	0.4
117.03391	3.6
119.04978	1.0
129.01817	0.4
135.04486	2.1
147.02832	0.6
147.04465	1.3
149.02377	0.7
159.04427	1.0
161.02435	2.9
161.06047	0.8
163.03940	1.5
175.03992	1.3
177.01875	0.6
177.05580	1.1
179.03404	0.4
189.01874	0.6
189.05505	0.5
191.01938	2.2
191.03479	1.6
193.05090	0.4
203.03534	1.1
205.05048	0.5
209.03041	2.4
224.08372	0.4
237.05635	0.5
251.07356	0.7
253.08728	0.5
262.52063	0.4
266.05978	0.5
266.55466	0.4
267.06638	0.8
268.07373	0.9
279.06415	0.6
281.04514	1.0
282.05383	1.6
283.06201	3.3
283.09088	0.5
293.04388	0.5
295.06155	3.8
296.06851	2.5
297.07742	15.6
298.08063	1.7
307.06238	1.6
309.07590	2.4
311.05746	3.3
321.07974	0.5
323.05649	3.5
324.06421	0.8
325.07224	7.5
326.07608	0.7
328.05826	2.2
335.05630	2.0
337.07184	2.6
353.06750	29.4
354.07120	3.4
355.08395	0.7
356.05548	0.9
365.06616	4.1
366.07074	0.9
381.06259	0.6
383.07782	16.7
384.08023	1.6
395.08020	2.3
413.08707	2.1
425.08960	1.2
443.09906	10.4
444.10419	1.3
455.09647	0.7
473.10968	5.9
474.11481	0.7
503.12009	0.5
545.13202	0.6
563.14191	100.0
564.14569	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	563.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.1
56.94465	0.2
57.03341	12.5
58.00472	0.4
59.01266	19.4
60.01594	0.4
61.98718	4.7
68.99717	0.7
71.01269	8.7
71.63322	0.4
72.99194	2.4
73.02840	2.5
75.00760	3.0
83.01281	2.7
83.04911	0.3
84.02067	2.6
85.02845	100.0
86.03170	1.9
87.00778	1.9
88.98700	0.7
89.02347	3.4
90.02641	0.3
95.01315	0.6
96.95908	0.5
97.02840	0.4
99.00789	0.9
101.02354	3.9
103.00282	1.9
109.06495	0.3
111.00800	0.5
113.02357	3.0
115.00294	1.3
119.03403	1.1
119.04985	0.3
121.02859	0.4
125.02367	0.4
128.03452	0.2
129.01866	8.9
131.03435	0.3
143.03447	0.5
147.02936	29.3
147.04326	0.9
148.03307	0.5
148.05255	2.0
149.02406	3.5
149.06027	12.8
150.06396	0.4
154.99707	0.3
161.04515	2.0
163.02441	0.6
163.03775	0.3
164.04747	6.7
165.05049	0.3
165.12804	0.5
171.13911	0.4
173.00868	1.4
173.73694	0.3
179.05588	0.7
179.07082	6.6
180.02513	1.7
180.07410	0.3
181.03372	0.2
183.13873	0.5
191.01949	34.8
192.02322	1.0
197.11797	0.3
199.07286	0.3
205.05167	0.3
209.03008	2.3
221.82973	0.2
229.18195	0.3
249.06354	0.2
253.09299	0.5
269.04474	0.4
286.10376	0.3
288.24847	0.3
324.37738	0.2
327.12494	2.8
327.21860	2.7
328.12723	0.5
337.76987	0.2
341.27103	0.4
353.06888	0.4
353.10727	0.4
356.63016	0.3
357.20807	0.5
358.27014	0.4
359.28192	0.4
370.19568	0.7
371.11185	1.4
371.20377	0.8
383.08160	0.3
396.04056	0.2
401.19849	2.2
443.26324	0.3
445.07684	0.3
461.24210	0.8
461.70575	0.3
502.23911	0.7
502.31320	1.2
503.24835	2.2
503.32291	6.6
520.32300	0.8
521.33398	1.2
562.32904	0.3
563.14087	1.8
563.23712	3.0
563.31610	0.4
564.14233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
62.13098	0.9
64.85501	0.7
68.27747	0.8
68.45815	0.8
69.71900	3.6
69.72311	2.4
71.01255	3.0
71.68623	0.8
76.95950	1.0
76.99762	0.9
79.01781	1.1
85.02827	2.6
86.66244	0.9
90.01166	0.8
91.05395	1.2
93.03362	3.2
95.01255	1.5
98.20533	1.7
117.03374	12.5
119.04939	3.5
131.04924	1.4
133.06523	2.0
135.04443	5.4
137.32909	0.8
143.18871	1.0
147.04436	2.1
149.02338	2.6
159.04420	1.9
161.02370	7.1
163.03909	3.0
171.04506	1.1
173.05888	0.9
173.62386	1.0
175.03966	3.8
177.01865	1.0
177.05499	3.2
178.02545	0.9
187.03886	1.7
189.01912	2.8
189.05481	1.3
191.03468	2.1
197.06067	1.3
203.03439	2.4
205.05136	1.0
220.94603	0.9
224.08342	1.0
233.04678	1.6
251.07106	1.8
253.08765	1.6
267.06613	2.6
268.07425	2.6
279.06622	1.2
281.04694	2.2
282.05469	4.3
283.06177	8.6
295.06186	16.1
296.06866	8.2
297.07730	44.0
298.08005	5.4
307.06219	5.6
309.07727	6.1
311.05664	4.0
319.06363	1.0
323.05737	6.2
324.06290	2.7
325.07300	12.5
328.05963	8.9
328.79926	0.9
329.06433	1.1
335.05612	3.2
337.07181	7.4
351.05399	1.2
353.06723	40.0
354.07001	4.6
355.08334	2.5
356.05444	1.9
365.06638	8.8
379.08167	1.1
383.07761	29.8
384.08237	2.9
395.07849	3.5
407.07626	1.4
408.08356	1.0
413.08911	4.1
425.08774	2.3
443.09933	4.9
465.47656	0.9
473.11139	5.0
503.12219	3.6
545.12909	1.6
563.14178	100.0
564.14465	15.8
566.58978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	10.1
58.00480	1.6
59.01265	39.6
69.28931	0.9
69.29237	9.9
71.01269	25.0
72.84767	0.7
72.99187	4.0
74.03654	0.8
75.00754	2.6
83.01278	1.7
84.02074	1.0
85.02843	67.2
86.03158	1.1
87.00765	1.9
89.02334	15.6
90.02598	0.9
96.95892	3.2
101.02351	2.7
103.00283	1.4
109.02853	1.4
113.02363	1.1
115.00301	1.4
117.03365	6.9
129.01860	8.1
131.01273	1.4
135.04524	1.5
140.25781	0.8
145.02867	1.1
146.03633	1.4
147.02930	11.5
149.04543	1.5
153.25974	0.8
159.04446	3.1
161.02420	1.9
173.00992	1.1
173.02408	1.9
175.00331	7.8
177.85585	0.8
191.01927	27.7
191.03386	1.1
209.03021	4.6
237.05647	1.6
251.07230	1.8
253.05209	1.1
254.05933	1.0
267.06720	1.6
268.07468	1.1
269.04565	6.5
279.06741	2.4
281.04724	4.9
282.05386	4.7
283.06213	6.7
293.04633	100.0
294.05032	10.4
295.06229	4.9
296.06750	1.6
297.04355	1.5
297.07712	10.6
298.04749	1.4
307.06229	1.6
309.04318	1.4
309.07867	1.2
311.05692	13.8
312.06235	1.6
312.10052	3.2
313.10257	1.0
314.04211	2.0
323.05563	7.1
325.07248	4.0
327.12375	4.2
328.05963	1.8
335.05759	2.9
337.07248	1.7
341.06763	5.1
353.06717	21.4
353.10742	1.7
354.07047	2.4
355.08398	1.9
365.06699	3.5
371.11630	1.5
383.07788	15.7
384.08157	1.1
395.07635	1.1
413.08850	34.3
414.09186	3.8
425.08804	2.0
443.09970	11.6
473.10941	5.1
545.13409	1.1
563.14185	83.2
564.14447	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	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
61.98720	0.2
62.12847	0.2
63.02282	1.4
65.00227	0.7
70.62656	0.2
71.01270	0.8
71.40603	0.3
73.02828	0.2
75.58095	0.2
83.01279	0.6
85.02852	0.3
88.08109	0.1
89.02351	0.5
93.03328	0.2
96.04715	0.2
96.95889	0.2
101.02324	0.2
104.99769	0.2
107.01299	1.8
117.03375	2.9
121.02863	0.2
135.04405	0.2
149.02426	0.8
149.99481	0.3
151.00291	1.5
157.06573	0.2
159.04477	1.2
161.02385	0.7
161.04729	0.2
169.06552	0.2
171.04530	0.4
172.05255	0.4
175.07579	0.2
181.06474	0.4
183.04471	0.6
195.04497	0.2
196.05284	0.5
197.05998	0.7
200.04764	0.2
201.05544	0.6
203.03442	0.2
211.03949	0.3
212.04753	0.2
224.04787	0.2
225.05499	1.2
227.03510	0.8
239.03516	1.2
239.16057	0.2
240.04333	1.6
241.05066	0.2
267.03104	0.5
268.03821	20.8
269.04602	100.0
270.04944	7.7
270.07950	0.2
293.04578	0.2
311.05661	0.5
329.14020	0.7
413.08884	0.6
431.10016	0.8
443.09854	0.3
472.84506	0.2
563.14191	43.7
564.14551	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	563.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
59.01264	0.5
69.73911	1.5
71.01273	1.0
72.94202	0.2
73.02855	0.3
76.66423	0.2
79.01773	0.6
83.01270	0.5
84.19294	0.2
85.02838	0.7
86.12112	0.2
91.05442	0.5
93.03361	1.5
95.01282	0.5
105.56271	0.2
107.01231	0.3
107.04910	0.2
109.02837	0.3
117.03383	5.9
119.04972	1.5
121.02850	0.4
123.04440	0.3
131.04959	0.8
133.06505	0.7
135.04453	2.9
137.02380	0.3
143.55022	0.2
145.02901	0.5
147.04465	1.0
149.02405	1.2
149.06039	0.6
151.03926	0.3
159.04501	0.8
161.02399	2.9
161.06026	0.4
162.03044	0.3
163.03981	1.4
173.02396	0.3
173.05981	0.6
175.02499	0.5
175.03970	1.8
175.05241	0.3
177.01904	0.8
177.05579	1.9
179.03450	0.6
183.04520	0.3
185.02559	0.3
187.04008	0.6
189.01888	1.1
189.05568	0.6
191.01949	0.4
191.03477	1.4
197.06047	0.4
198.47638	0.2
199.03978	0.3
201.05667	0.2
203.03500	1.8
204.04054	0.4
205.01366	0.4
205.05032	1.1
209.06065	0.3
210.06851	0.4
215.03514	0.5
217.04950	0.5
221.04477	0.4
223.07571	0.2
224.08415	0.6
233.04605	1.0
235.07816	0.3
237.05737	0.7
238.06329	0.5
239.07079	0.5
245.04471	0.4
251.07153	0.9
253.08694	0.8
254.06038	0.3
263.07471	0.3
265.08871	0.2
266.05820	0.3
267.06763	1.2
268.07477	1.1
269.04770	0.5
279.06754	0.7
281.04645	1.1
281.07910	0.2
282.05392	2.7
283.06161	4.3
293.04660	0.4
293.08051	0.5
295.06204	5.7
296.06891	3.2
297.07748	23.0
298.08078	2.5
306.05197	0.3
307.06161	2.7
308.06699	0.5
309.07806	3.2
310.07971	0.3
311.05673	3.6
314.04437	0.3
321.07605	0.4
322.04794	0.5
323.05716	4.5
324.06540	1.4
325.07257	9.8
326.07486	1.1
328.05936	3.8
329.06339	0.4
335.05795	1.3
337.07278	4.0
338.07797	0.3
341.06476	0.5
349.07721	0.3
351.05249	0.8
352.06003	0.3
353.06741	41.5
354.07101	4.3
355.08270	1.6
356.05273	1.3
365.06738	6.4
366.07098	0.8
377.06769	0.3
379.08502	0.7
381.05981	0.5
383.07813	30.0
384.08163	4.1
386.06488	0.3
389.06570	0.3
395.07840	3.0
396.08014	0.4
397.09271	0.9
407.07690	1.3
409.09286	0.3
413.08881	2.9
414.09149	0.4
425.08911	2.9
443.09991	6.4
444.10147	1.0
473.11038	8.7
474.11353	1.1
485.11362	0.4
503.12021	3.9
504.12808	0.4
545.13214	2.0
563.14191	100.0
564.14539	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	561.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
61.79445	0.7
64.47349	0.8
65.06428	0.9
70.28322	3.9
71.45885	0.8
163.43860	0.8
165.12814	11.3
166.13083	1.0
183.13869	100.0
184.14220	4.8
185.25157	0.8
209.11818	6.4
227.12881	7.7
247.21063	0.8
259.71576	0.8
277.21793	72.2
278.22153	7.8
283.15631	3.5
299.67346	0.8
301.16629	10.3
397.76871	0.8
415.90009	0.9
522.06549	0.9
561.38104	18.1
562.38208	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	563.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.8
57.03340	14.1
58.00474	0.9
59.01265	14.9
65.00198	1.6
68.99698	1.0
71.01271	8.2
71.50657	0.8
71.61875	1.4
72.99191	2.1
73.02836	2.2
75.00761	5.6
83.01286	2.3
84.02061	2.3
85.02843	94.4
86.03192	1.1
87.00766	7.5
89.02320	2.1
91.01787	4.5
93.03366	1.4
96.95913	7.3
98.95505	1.6
99.00754	1.0
99.04445	0.7
101.02374	2.0
103.00274	3.3
108.02059	2.2
109.02862	57.9
110.03162	1.0
111.00828	1.9
113.02364	1.8
115.00269	2.7
117.03420	1.4
118.82867	0.7
119.04941	1.1
121.02882	2.1
123.04404	1.1
125.02370	0.8
129.01865	38.0
130.02190	0.8
133.01372	1.2
137.02377	1.3
138.66843	0.8
145.02899	2.3
146.03679	23.7
147.02925	13.4
147.04358	3.7
153.01952	1.0
155.18320	0.7
158.03683	38.6
159.04463	22.1
160.04912	0.8
161.02441	1.7
161.04787	0.7
161.05948	3.9
161.46255	0.7
163.02573	0.9
163.03903	0.8
173.00861	2.2
173.06027	23.2
174.06442	1.7
177.01958	1.0
191.01952	100.0
192.02336	2.9
209.01019	1.5
209.03003	20.4
229.01482	2.7
239.07259	1.2
251.07137	1.4
265.05246	1.0
266.05905	12.0
267.06674	38.6
268.07391	14.9
269.04645	10.6
269.07556	1.0
270.05063	1.0
281.08240	4.8
283.06314	2.8
283.09796	31.9
284.10135	3.1
293.04550	2.2
294.05490	2.2
295.05917	0.8
296.06866	1.2
297.04236	1.4
297.07666	3.2
309.07767	2.1
310.08069	0.9
311.05606	3.3
325.07318	1.3
327.08795	40.7
328.09113	4.4
353.06747	22.1
354.07074	2.3
359.11032	0.8
365.06686	0.9
371.07724	7.4
383.07755	5.5
387.16156	1.2
413.08862	3.1
439.10403	1.7
443.09930	2.2
473.10941	8.5
473.20795	1.0
501.10574	2.1
503.12195	1.6
503.19492	1.7
545.09961	2.8
563.14099	15.6
564.13580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.0
57.03338	2.8
58.00492	1.4
59.01266	100.0
60.01605	1.2
60.14959	0.3
61.29262	0.2
61.98721	1.1
69.03355	0.8
71.01270	33.1
71.04914	0.5
71.59492	0.5
72.01623	0.6
72.99205	1.7
73.02837	6.5
74.82235	0.3
74.87978	0.3
75.00785	0.7
83.01278	4.4
83.04945	0.3
85.02844	14.5
86.00005	0.5
87.00780	2.9
87.04421	0.8
89.02338	14.9
90.02675	0.3
95.01278	3.8
96.95924	0.4
97.02838	1.4
97.06487	0.7
99.00774	2.7
101.02349	17.6
102.02692	0.6
109.02915	0.3
111.00809	0.9
112.01590	0.4
113.02359	18.4
113.09619	0.5
114.02685	0.5
119.03416	6.7
120.03788	0.4
123.08062	0.3
124.01601	0.7
125.02354	1.5
129.01866	0.4
131.03455	0.6
139.00339	0.4
139.11195	0.6
143.03442	2.4
149.04524	1.1
151.11235	0.8
155.10742	0.3
157.12320	1.4
159.02954	1.2
161.04504	5.6
163.04044	0.3
163.11253	0.4
169.12305	0.6
173.11662	0.4
179.05525	1.6
181.12280	0.5
184.04999	0.3
186.12616	0.6
187.13347	0.8
199.13397	0.9
201.14925	0.7
227.16570	0.3
228.13756	0.4
242.48752	0.3
268.03769	2.6
269.04602	7.4
270.04922	0.8
295.13672	0.4
297.24243	0.4
309.24265	0.7
321.24368	1.1
330.16919	0.6
339.25436	3.1
340.25803	0.5
348.17935	0.8
355.25220	0.3
357.26471	5.4
358.26974	0.6
362.19409	0.4
381.26605	0.7
429.25238	0.6
441.28751	0.4
453.28412	0.4
465.28735	2.1
466.99420	0.4
471.29816	0.4
483.29703	4.1
484.30011	0.6
499.29517	0.3
500.12164	0.3
501.30811	84.4
502.31174	15.9
502.38733	0.6
519.31879	25.0
520.32196	4.0
543.31738	1.3
554.91846	0.3
561.16046	4.8
561.33240	3.4
562.16589	0.8
562.33038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03336	4.5
57.49633	0.2
58.00485	2.0
59.01266	100.0
60.01602	1.4
61.98728	1.1
67.40810	0.2
69.03347	1.2
69.40874	1.2
69.41312	0.7
71.01270	31.7
71.04906	1.9
72.01604	0.6
72.02000	0.2
72.99200	1.8
73.02836	9.6
74.03177	0.2
74.34092	0.2
75.00774	0.7
81.03364	0.3
83.01278	4.4
83.01730	0.4
83.04910	0.4
83.56242	0.2
84.01611	0.2
84.02080	0.3
85.02848	11.5
85.06495	0.7
87.00771	2.8
87.04382	1.1
89.02341	13.2
93.07001	0.3
95.01283	2.8
95.04903	0.4
96.95937	0.6
97.02841	1.1
97.06478	1.4
99.00780	3.5
99.04417	0.3
99.08059	0.5
101.02350	18.0
101.06010	0.3
102.02699	0.5
109.06504	0.5
111.00802	0.7
111.08080	0.6
112.01578	0.3
113.02360	20.3
113.09650	1.2
114.02697	0.5
115.03875	0.3
119.03419	4.4
121.06528	0.2
121.10185	0.5
123.08108	0.6
124.01609	0.5
125.02350	1.7
125.09659	0.5
127.03961	0.4
127.11071	0.2
129.01866	0.3
129.09123	0.8
131.03421	1.2
137.09666	0.5
139.11192	1.3
141.01755	0.2
141.12776	0.3
143.03432	3.6
143.10736	1.3
144.03772	0.2
149.04488	0.7
151.11237	0.7
153.12794	0.3
155.10730	0.6
157.12286	3.1
159.02948	1.3
161.04501	9.1
162.04904	0.3
163.11240	0.6
169.12283	0.9
171.13885	0.8
173.11841	1.3
178.04839	0.3
179.05600	1.9
181.12311	1.3
183.13940	0.9
186.12610	1.0
187.13414	1.0
197.15494	0.2
199.13431	1.7
201.11143	0.2
201.15009	1.1
206.99841	0.6
212.14021	0.3
213.14934	0.3
227.16441	0.3
228.13718	0.7
267.19705	1.1
297.24478	0.5
309.24408	0.7
321.24362	1.8
327.25598	0.6
337.24100	0.2
339.25473	7.6
340.25870	0.7
341.26993	0.7
355.24951	0.7
357.26547	13.3
358.26901	1.5
363.25201	0.5
372.17673	0.2
381.26718	1.5
399.27924	0.6
405.26495	0.3
423.27481	0.5
453.28354	0.3
465.28458	0.5
483.29691	1.4
501.30811	52.2
502.31171	8.4
517.21307	0.3
519.31891	16.6
520.32135	2.8
543.31915	1.3
561.26001	0.3
561.33264	3.1
562.32550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03337	3.1
58.00483	1.7
59.01264	100.0
60.01597	1.0
61.98716	1.6
65.92500	0.2
68.99674	0.3
69.03339	1.7
71.01268	39.2
71.04907	0.8
72.01619	0.4
72.99204	1.8
73.02837	11.0
74.03152	0.3
75.00768	1.1
81.03350	0.8
81.68771	0.3
83.01277	4.2
83.04901	0.4
85.02840	11.4
87.00771	3.8
87.04425	0.9
89.02337	29.1
90.02676	0.6
93.07005	0.5
95.01283	3.0
96.95928	0.6
97.02859	1.6
97.06508	0.7
99.00780	2.6
99.04442	0.4
99.08080	0.4
101.02345	26.2
102.02705	0.7
109.02831	0.4
111.00802	0.9
111.04414	0.3
111.08059	0.3
112.65489	0.3
113.02354	19.6
113.09613	0.5
114.02696	0.8
115.03928	0.5
119.03410	7.1
121.02862	0.3
121.10147	0.8
123.08070	0.4
124.01576	0.3
125.02364	4.8
125.09732	0.3
127.11236	0.6
129.01822	0.5
131.03433	5.4
132.03836	0.3
137.09666	0.3
139.00320	0.3
139.11226	0.7
143.03426	3.8
149.04503	11.3
149.09703	0.3
150.04849	0.3
151.11211	0.5
155.10719	0.7
157.12286	2.6
159.02936	0.8
161.04501	6.4
163.11215	0.4
167.10703	0.4
167.32011	0.3
169.12238	0.5
171.13879	1.5
173.11729	0.7
178.04788	0.3
179.05559	3.3
181.12314	0.8
183.13919	0.6
185.11923	0.4
186.12537	0.7
187.13354	1.0
191.05603	1.6
195.13823	0.3
199.13373	1.0
200.14159	0.5
201.14893	1.2
206.99831	62.1
208.00162	3.5
221.06627	0.4
229.18092	1.1
233.06554	0.5
249.00958	0.4
267.19733	0.3
275.07687	0.5
291.02121	0.4
293.08838	4.1
294.09027	0.3
297.24414	0.6
321.24329	1.5
339.25421	4.6
340.25842	0.5
355.25058	0.5
357.26498	9.1
358.26855	0.9
363.25623	0.5
369.26404	0.4
381.26483	3.7
382.26868	0.5
399.10706	0.3
453.28702	0.8
483.29678	0.9
501.10269	2.2
501.30801	58.7
502.09918	0.5
502.31158	10.4
517.20923	0.7
519.31842	24.1
520.32153	3.9
543.31683	1.6
544.31830	0.3
561.24719	0.4
561.33026	4.3
562.33209	1.0
564.92206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
57.57835	1.2
58.00484	4.2
59.01266	63.8
60.01583	1.6
61.98741	1.4
66.32165	1.4
69.30234	10.8
69.30651	4.8
71.01268	38.9
72.99203	2.2
73.02833	6.9
81.06974	2.0
83.01266	2.9
85.02850	7.4
87.00770	3.5
89.02339	68.2
95.01276	2.7
98.19851	3.0
99.04437	5.5
101.02351	24.0
103.03903	2.2
103.19354	1.3
113.02341	12.4
117.03405	2.1
119.03416	18.4
131.03441	11.2
143.03418	3.7
149.04497	100.0
161.04501	3.7
161.13307	28.5
179.05589	9.3
187.11255	3.6
205.12326	46.8
206.12692	4.5
223.13405	2.9
249.11345	60.2
250.11725	4.2
268.03891	2.4
269.04654	9.3
270.04776	1.7
281.04639	1.7
293.04608	5.8
294.05243	3.7
295.06149	9.3
297.04050	2.4
311.05725	1.9
337.07318	4.7
381.15717	3.9
385.18771	4.4
399.11456	1.5
429.17728	64.7
430.18298	9.9
457.11142	1.8
501.23596	1.6
561.22699	71.7
562.22797	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	561.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03329	2.8
58.00484	3.3
59.01263	83.8
60.01614	0.9
61.98708	2.9
66.70657	0.8
69.03323	1.5
69.59307	5.1
70.41265	1.0
71.01271	51.3
72.99201	5.8
73.02816	6.6
75.00763	2.3
75.26487	0.8
77.90442	0.8
83.01290	3.3
83.02396	2.7
83.04913	0.9
84.01965	1.4
85.02843	15.2
87.00756	5.1
89.02335	69.6
95.01262	3.0
96.95916	10.1
97.02857	1.5
98.19846	1.5
99.00773	1.9
99.04422	7.8
101.02342	28.3
102.02654	1.0
103.03896	1.3
105.01885	1.0
108.02132	1.9
109.02880	0.8
110.46892	0.8
111.04411	2.7
113.02360	19.3
116.92796	1.0
119.03417	20.9
125.02353	2.0
125.06017	1.0
131.03416	8.3
133.01366	1.6
133.04999	2.7
133.06406	0.9
135.04486	1.6
143.03426	4.5
148.07664	1.9
149.04492	59.7
149.05888	2.2
150.04803	1.3
152.01384	0.9
161.04576	5.8
161.05800	1.2
161.13298	18.0
162.13686	1.2
165.05493	1.1
175.03851	0.9
179.05579	14.2
187.11244	4.4
190.05090	1.2
190.08722	2.2
191.01942	1.0
200.05058	0.9
205.12317	47.4
206.12665	2.5
214.35880	1.2
223.06197	1.3
223.13382	8.9
229.12451	1.0
249.11348	63.6
250.11678	4.8
267.12473	5.4
269.04855	2.1
281.04449	1.2
283.06082	1.5
293.04825	1.4
293.08911	2.3
295.06226	2.9
311.05740	2.1
321.00360	0.9
369.15814	0.9
371.49081	0.9
381.15408	6.0
382.16010	1.1
385.18860	4.1
399.16678	2.0
429.17734	84.0
430.18045	8.7
475.02859	1.1
475.08929	4.0
501.23837	0.9
501.30582	2.0
519.31598	1.0
561.22040	100.0
562.22461	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	561.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29798	0.1
55.01740	0.2
56.89574	0.1
59.01265	6.5
61.98711	0.5
63.02270	1.6
65.00185	1.0
71.01263	1.8
71.04913	0.2
71.12511	0.4
73.02831	0.5
75.00768	0.2
79.32945	0.1
83.01299	0.7
85.02852	0.7
87.00763	0.2
89.02334	0.6
93.03370	0.2
96.95903	0.4
101.02354	0.8
107.01295	2.1
111.04401	0.1
113.02355	0.8
117.03378	3.0
119.03460	0.2
121.02825	0.2
121.72182	0.1
133.06464	0.2
135.04393	0.2
143.04985	0.2
146.57889	0.1
148.01572	0.2
149.02428	1.0
149.99564	0.3
151.00317	2.1
159.04472	1.2
161.01216	0.2
161.02412	0.7
161.04468	0.4
169.01375	0.2
169.06580	0.4
171.04480	0.6
172.05219	0.5
179.05527	0.2
180.05757	0.2
181.06503	0.3
183.04526	0.7
184.05302	0.2
195.04445	0.4
196.05232	0.6
197.06032	0.5
198.03188	0.2
199.03989	0.5
200.04761	0.2
201.05559	0.5
211.04016	0.9
212.04678	0.6
221.08212	0.4
224.04723	0.4
225.05550	1.2
227.03433	0.5
239.03506	1.7
240.04315	2.7
241.04823	0.3
253.05110	4.1
254.05556	0.4
257.57071	0.2
267.03021	1.2
268.03830	39.0
269.04599	100.0
270.04947	7.6
281.19305	0.2
283.06192	0.9
293.04651	0.3
341.76538	0.2
397.09317	0.4
415.10220	0.6
501.30771	1.4
519.31696	0.6
561.16235	67.2
562.16602	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	561.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19321	1.0
52.73429	0.9
55.01793	1.1
55.99219	1.2
57.03335	1.5
58.00492	1.9
59.01265	60.3
71.01268	39.0
72.99217	3.1
73.02840	7.4
81.07012	3.3
83.01308	2.1
85.02840	7.3
87.00783	2.9
89.02336	65.5
95.01324	3.3
96.95953	1.7
99.04403	5.8
101.02345	17.0
101.02907	1.4
103.03944	2.7
113.02352	11.6
119.03413	13.7
119.04868	0.9
131.03424	12.8
143.03491	2.8
149.04497	100.0
150.04892	2.8
153.01918	1.3
161.04582	2.9
161.13293	26.9
161.14529	1.6
162.13712	1.3
179.05598	9.0
187.11368	4.5
205.12329	41.6
206.12801	3.8
221.53966	1.1
223.13469	1.6
249.11371	48.7
250.11783	3.5
267.12445	2.6
268.04031	4.1
269.04608	10.5
281.04758	1.3
293.04819	4.0
294.05554	1.6
295.06085	7.2
337.07318	2.0
347.43985	1.1
381.15732	4.3
385.18958	4.4
399.11017	1.6
399.16235	1.1
429.17722	50.6
430.18066	5.6
457.11801	1.5
561.22528	61.7
562.22900	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	559.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54830	0.3
58.02861	5.8
58.43303	0.2
59.01264	9.7
60.01600	0.2
61.98716	2.0
66.03365	0.4
71.01274	1.7
71.02377	0.3
71.18700	0.3
71.60086	0.5
71.60461	0.3
72.00803	1.7
73.02819	0.6
73.37080	0.3
74.02369	2.5
80.04941	0.4
82.06507	0.8
83.01252	0.5
83.04913	0.4
84.00789	0.4
84.08060	0.6
84.36996	0.2
85.02831	0.9
87.13010	0.2
88.57001	0.2
89.02329	0.8
93.03358	2.7
94.06535	0.3
95.02417	0.2
96.95905	0.9
98.01131	0.4
100.07591	0.3
100.94967	0.2
101.02319	1.0
106.04166	0.6
107.04925	0.7
109.28646	0.2
111.01904	1.2
112.02657	0.6
112.07583	0.6
113.02351	0.8
114.01865	0.4
114.09100	0.3
117.21149	0.3
119.03497	0.3
119.04945	8.3
120.05261	0.5
124.02702	0.4
125.02329	0.3
125.03466	0.8
126.09154	0.5
127.03926	0.5
127.08678	1.0
128.07076	0.5
129.05547	0.3
129.10257	25.6
130.08635	0.8
130.10567	1.0
133.05244	0.8
134.06039	4.1
134.75475	0.2
136.07593	1.4
138.07903	0.7
139.05067	0.3
139.08691	1.0
140.07076	0.8
141.10265	0.7
143.11856	1.9
151.08763	0.3
152.07121	0.6
153.06628	0.6
153.10225	0.9
154.08670	1.3
155.08199	11.6
155.11778	0.5
155.43437	0.2
157.09749	0.3
161.04477	0.5
163.03952	5.0
164.04404	0.3
164.07094	0.8
167.08224	0.3
169.09781	1.6
171.11343	4.5
172.11719	0.3
179.15491	1.7
180.06622	19.2
180.13873	0.3
181.06984	0.8
181.09784	1.0
186.12349	0.4
187.10841	2.5
195.11374	0.3
195.15062	1.2
197.16565	5.5
198.16968	0.4
205.13521	0.3
206.11844	0.6
207.15034	0.4
211.10846	0.3
213.16081	0.4
219.15092	0.3
222.16075	0.8
223.14528	6.4
224.14822	0.6
225.16161	0.3
236.17682	0.3
239.17648	0.6
240.09372	0.3
240.17215	1.0
242.18672	0.6
245.09332	0.4
247.14532	1.4
248.14696	0.3
249.16101	12.0
250.16418	1.0
254.18678	0.3
256.94611	0.3
264.17050	0.8
275.14023	1.4
275.21344	1.7
292.23959	0.8
293.15134	12.5
294.15411	1.0
310.25354	0.4
311.18643	0.2
334.25037	0.8
343.20248	0.6
344.16180	3.3
359.27933	0.3
360.22971	2.3
362.24323	0.4
378.24030	1.2
379.24640	0.4
387.21472	0.4
404.21970	2.0
430.30966	0.6
431.20908	0.4
453.26859	0.3
455.34155	0.4
481.30731	0.3
499.29184	2.0
500.29382	0.5
515.33179	1.2
517.30371	1.3
559.31458	100.0
560.31818	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09584	12.0
50.96685	10.5
58.37707	10.9
59.01266	73.2
60.45496	10.1
61.98716	90.1
69.29874	27.6
69.30287	100.0
74.87187	10.4
78.95798	15.4
100.30884	14.7
128.44612	11.4
137.05991	50.0
168.64088	13.0
207.98683	11.5
279.22769	12.8
339.73267	10.8
378.16528	11.7
443.02670	11.6
452.22516	12.7
474.52661	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	559.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33838	1.2
59.01259	20.3
61.04456	1.3
61.98714	3.1
69.30423	9.9
69.30829	3.3
71.01273	4.9
73.85226	1.4
76.09144	1.2
79.78864	1.2
83.01257	1.6
89.02339	2.2
90.82441	1.3
92.84801	1.3
96.95938	2.0
98.20609	2.9
99.67469	1.2
101.02362	2.2
110.96174	1.4
113.02319	2.2
253.09364	14.9
263.20209	100.0
264.20486	8.1
280.76617	1.7
297.50311	1.4
330.07526	1.4
389.54691	1.3
559.29895	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	559.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04500	0.2
59.01267	18.7
61.98709	1.1
65.74074	0.2
71.01267	3.5
71.62192	0.3
73.02834	0.7
85.02837	0.9
87.00768	0.3
88.52640	0.2
89.02338	2.6
99.00762	0.4
101.02340	3.5
113.02364	1.5
115.03962	0.4
119.03405	1.2
132.40982	0.3
133.04932	0.3
143.03406	0.4
161.04506	1.2
179.05577	0.3
183.15924	0.2
193.49382	0.3
219.21114	0.3
235.08253	2.1
253.09328	14.9
254.09555	0.5
263.20209	100.0
264.20560	9.4
369.23462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
59.01265	9.6
61.98719	1.3
62.77086	0.2
65.00158	0.2
69.40746	1.7
71.01270	3.3
72.99208	0.5
73.02821	0.7
75.00757	0.3
77.03869	0.2
77.74420	0.2
83.01288	0.5
83.04886	0.4
85.02867	1.5
86.00819	0.2
87.00785	0.5
89.02335	4.1
93.03353	0.5
96.95914	0.6
97.02878	0.2
98.07220	0.2
99.00774	0.5
101.02346	1.9
106.66405	0.2
113.02351	1.1
116.92770	0.3
119.03411	0.5
121.02873	100.0
122.03197	3.3
125.02374	0.7
131.03429	0.8
137.02362	0.4
149.04482	1.8
149.06265	0.2
159.19386	0.2
161.04518	0.6
161.13341	0.3
165.05516	0.3
165.91890	0.2
183.11859	0.2
191.05621	0.2
205.12375	0.3
212.43217	0.2
245.10306	1.0
269.04736	0.3
281.04520	0.2
293.05396	0.4
293.08875	2.2
295.06094	0.3
321.04144	0.3
351.05258	0.3
361.16583	0.4
377.14569	2.9
395.07431	0.4
457.28192	0.3
499.18469	1.1
499.29181	0.8
500.18826	0.2
521.33478	0.3
559.14667	0.4
559.31354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13815	70.2
51.76492	76.7
69.37585	84.6
124.23340	66.0
147.86082	84.8
151.84837	79.9
224.26125	74.9
482.08163	100.0
527.33826	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05491	0.4
52.44815	0.4
59.01264	3.1
61.98717	1.0
71.01286	2.0
71.60180	0.4
71.60564	0.6
72.99207	0.5
73.02825	0.5
75.00768	0.7
80.05012	0.3
85.02833	1.0
89.02335	1.4
96.95901	2.0
97.37339	0.4
101.02375	0.9
113.02359	0.7
120.97151	0.3
122.03699	0.4
123.04471	0.5
125.02384	0.5
127.24574	0.4
135.35043	0.4
147.04459	0.9
148.05241	1.7
149.06021	100.0
150.03113	1.0
150.06361	4.9
151.03932	1.0
153.39859	0.4
154.99783	0.6
165.05536	0.4
179.60753	0.4
286.59863	0.5
293.10300	0.4
300.64398	0.5
311.11441	8.1
312.11627	0.6
353.12506	8.1
354.12857	0.9
559.20844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03322	0.8
59.01264	39.8
60.01607	0.6
60.70535	0.5
61.64473	0.6
61.98423	0.8
61.98719	8.6
70.80901	1.7
71.01269	6.0
71.63556	0.5
72.99190	0.9
73.02840	1.9
75.00790	0.5
83.01315	0.7
83.04945	0.6
85.02840	3.1
87.00786	1.3
89.02342	2.1
96.95902	3.2
97.02879	0.5
99.00817	0.8
100.50292	0.5
101.02322	3.2
109.02785	0.6
113.02357	2.4
119.03460	1.1
119.04944	0.5
125.02314	0.8
135.04478	0.8
149.04475	0.6
161.04459	1.1
188.01118	2.1
200.01134	1.7
216.14479	0.5
224.73355	0.5
225.05585	0.7
236.07347	0.6
237.05534	1.5
238.06320	0.9
240.04355	0.9
253.05122	1.6
254.05754	1.4
265.05045	0.7
268.03726	1.0
281.04590	6.0
282.05341	3.8
293.04642	16.3
294.05069	1.3
299.25735	0.8
309.11276	0.7
314.04501	5.3
336.06021	0.7
336.10107	21.1
337.10873	100.0
338.11188	10.0
341.17941	0.6
355.24716	0.9
358.26920	0.8
359.18671	2.2
359.28107	18.1
360.28458	4.7
361.10934	0.9
361.28372	1.2
379.11899	1.4
499.16241	43.5
499.28604	9.1
500.16437	5.9
500.29666	1.0
517.30133	3.1
532.72070	0.6
559.31567	8.1
560.31653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38136	0.4
59.01268	4.4
61.98716	0.5
63.76114	0.3
69.32646	2.6
69.33060	1.1
71.01266	1.7
71.69936	0.4
73.02823	0.6
75.34171	0.3
77.03873	0.4
83.01285	0.4
85.02856	0.9
89.02335	1.4
93.03357	3.5
95.01262	0.5
95.04933	0.6
96.95915	1.5
101.02343	0.8
102.87116	0.4
108.02086	2.4
109.02864	5.5
111.00816	0.5
113.02354	0.6
117.03369	0.6
119.03405	0.6
119.04961	1.1
121.02874	21.0
122.03671	16.4
123.04485	4.0
124.01579	1.3
129.03423	1.1
132.02098	3.6
133.02885	14.4
134.03674	9.4
135.04506	2.1
136.01607	1.8
136.05223	0.9
137.02322	1.9
145.02892	8.6
146.03648	2.8
147.04459	12.2
148.05193	1.6
149.02382	30.5
149.06010	13.3
149.07202	0.7
150.03166	69.6
151.03647	2.5
154.02658	2.0
159.04468	0.9
160.05275	0.8
161.02402	2.0
161.04697	0.7
161.06021	5.1
162.03214	2.6
162.06761	0.4
163.03976	1.1
164.04742	8.3
165.05525	78.7
166.05858	3.5
175.07561	0.6
177.01874	0.4
177.05557	4.2
178.06218	0.7
179.07089	10.3
180.04283	2.7
180.07532	0.7
181.05017	0.5
182.12894	0.3
195.06604	24.8
196.06953	1.4
209.08116	0.6
223.09761	0.8
225.05711	0.4
269.04681	0.5
270.09128	0.7
283.09723	1.1
285.11401	0.7
297.11313	0.8
298.11887	0.6
299.12869	0.9
313.11090	0.8
313.14569	0.6
315.12521	1.9
316.12814	0.4
317.14032	0.9
327.12338	0.5
329.14020	4.2
343.15347	0.5
346.14258	6.2
347.15021	10.7
348.15457	1.1
359.14728	0.9
360.15912	1.0
361.16638	60.6
362.16922	6.5
375.18054	0.6
403.17639	0.6
415.17685	9.2
416.18222	1.1
451.17957	0.6
461.19852	0.6
463.18057	1.0
479.20920	0.8
494.19519	0.5
509.21915	100.0
510.22244	18.5
519.51837	0.4
521.21832	8.9
521.33606	1.6
522.21893	2.0
539.22998	8.7
540.23303	2.5
557.23889	10.3
557.31329	5.8
558.23901	2.2
558.31738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92901	0.3
57.03335	0.5
59.01267	55.5
60.01612	0.4
61.98724	1.8
65.89520	0.3
69.03346	0.3
70.20972	1.5
71.01289	1.2
73.02844	0.3
85.06496	0.3
88.98719	0.4
89.02347	0.9
96.95903	0.6
98.19868	0.4
101.02426	0.6
104.93213	0.3
108.41457	0.3
109.02842	0.5
111.08077	0.5
113.02408	0.5
120.75324	0.3
123.08089	0.4
139.96774	0.3
149.06071	0.3
161.04565	0.3
167.48276	0.3
168.98483	0.3
176.04593	0.4
179.05600	0.3
191.07095	0.4
197.02176	0.7
213.18607	0.7
217.00247	0.3
275.94611	0.3
279.23398	5.6
280.23697	0.3
297.24442	1.3
339.12521	0.9
357.26541	100.0
358.26889	10.8
531.50989	0.3
555.12421	1.6
555.29260	1.8
556.29230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88576	0.4
57.03334	1.2
58.40970	0.5
59.01264	11.6
61.98715	4.3
65.78909	0.5
71.01273	1.6
71.54366	0.5
71.63168	0.7
73.02837	0.9
83.01263	0.7
85.02859	0.9
87.04404	0.9
89.02343	1.3
90.44141	0.5
92.74915	0.5
96.95892	0.5
101.02328	1.0
137.64377	0.5
197.02162	0.7
227.03793	0.5
267.23279	1.1
327.25555	5.2
339.25345	1.0
355.25214	0.6
357.26535	100.0
358.26904	10.7
402.39108	0.6
555.12488	0.8
555.29510	10.5
556.30280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2855
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.80972	0.2
54.35511	0.2
57.03336	0.3
59.01260	0.7
61.98716	3.4
63.96137	1.1
64.96912	0.2
69.03346	0.6
70.61897	0.4
70.62288	0.5
71.01267	6.5
73.02832	1.4
78.98478	5.2
79.95622	9.1
80.96406	58.0
81.03344	0.6
81.96313	0.3
83.01271	0.3
85.02844	3.0
87.00770	2.3
91.03905	0.3
94.97982	14.8
95.01270	0.2
96.95918	1.0
97.02854	1.1
99.00780	0.7
99.04395	0.2
100.95545	0.2
101.02335	2.7
103.74540	0.2
104.17181	0.2
106.97987	2.8
122.97505	2.9
125.02356	2.6
127.03957	0.9
134.97504	4.2
136.99046	1.1
148.99081	6.0
149.00288	0.4
149.99348	0.2
152.98575	5.0
155.00151	0.2
164.98578	11.9
167.00121	0.4
181.27460	0.3
206.99718	2.2
211.87279	0.2
218.97516	0.2
225.00734	15.2
226.01083	0.5
255.23347	2.1
256.23608	0.4
299.04449	3.4
435.07657	0.2
555.28522	100.0
556.28870	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	555.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.2
61.98725	2.8
69.72153	3.3
70.23279	0.4
71.01272	1.6
73.02855	0.7
79.55383	0.4
84.83720	0.4
85.02844	1.0
87.00755	0.4
88.98704	1.5
89.02315	1.1
89.88531	0.5
93.03378	3.4
96.95962	0.6
101.02374	1.1
108.02067	2.1
109.02867	9.6
113.02361	0.8
121.02888	4.8
122.03671	9.2
123.00769	0.9
123.04472	6.4
124.01585	0.9
132.02118	1.7
133.02893	5.8
134.03647	1.0
135.04459	3.1
136.01593	1.9
137.02441	1.1
146.03673	0.8
147.04486	1.9
149.02391	21.5
149.05983	0.7
150.03175	85.9
151.03981	14.4
152.04297	0.7
159.04440	3.2
163.03922	0.7
164.04755	6.8
165.05528	73.8
166.05859	3.1
173.06038	3.4
177.01917	0.7
177.05566	0.6
180.04221	4.5
181.05028	11.1
187.11508	0.5
189.05595	2.8
190.06213	0.6
191.07117	1.3
195.06618	41.8
196.06931	1.8
203.07150	1.8
209.11806	1.9
217.03065	0.4
240.04221	0.9
241.05103	4.4
242.05542	1.0
255.06651	3.7
256.07318	0.6
265.05054	0.5
265.08737	0.8
267.06790	2.2
269.08298	1.4
279.06702	0.5
280.07407	0.7
281.08344	0.8
295.09927	1.0
297.07834	4.4
297.10855	0.8
298.08249	1.2
299.09308	5.1
311.09451	1.3
312.10007	0.5
313.10849	6.7
314.11404	1.0
327.12427	1.5
329.10275	2.7
342.11542	0.5
343.11942	1.4
344.12741	14.3
345.13425	4.2
358.14169	1.0
359.15109	34.4
360.15338	3.2
397.11920	0.5
401.16122	1.5
415.11487	0.5
429.12793	0.5
431.15384	1.4
433.16934	0.7
443.15244	1.6
447.14435	3.3
459.18420	0.5
461.16193	9.0
462.16660	1.5
463.17508	0.6
475.18091	0.6
477.15479	4.2
478.16351	0.5
492.18121	2.1
507.20343	100.0
508.20657	15.4
555.22522	15.4
555.31519	0.7
556.23029	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34889	0.6
59.01264	8.7
61.98729	1.3
64.05888	0.6
66.44706	0.6
69.29021	6.7
71.01278	4.7
72.99194	1.1
73.02825	1.1
75.00769	1.1
83.01258	0.8
85.02842	1.8
87.00781	0.9
88.98656	0.7
89.02339	3.3
93.03354	3.5
95.01281	1.3
95.04956	0.8
96.95914	40.4
99.00743	0.6
101.02326	1.4
105.03352	0.6
108.02073	1.3
109.02853	1.3
113.02344	2.7
119.03429	0.8
121.02872	9.5
122.03667	11.2
123.04465	1.7
133.02882	1.9
134.03745	1.0
135.04428	1.9
136.01584	0.9
137.02382	1.1
142.35736	0.6
142.37025	0.7
147.04420	1.3
147.46947	0.6
149.02386	58.6
150.03169	63.7
151.03546	2.7
161.04559	0.8
163.03983	2.2
164.03458	1.0
164.04753	14.6
165.05530	63.5
166.06044	3.3
177.05566	1.5
179.07030	1.9
180.04250	4.1
181.08723	0.8
190.02692	0.6
195.06615	44.5
196.06909	1.7
207.06618	1.4
212.43849	0.6
220.07492	0.9
225.48624	0.6
240.04243	1.2
241.08691	1.3
253.08891	0.7
255.06665	0.9
265.08719	1.0
266.05753	0.6
267.06891	1.1
267.10092	0.7
269.08228	5.1
269.11832	2.6
270.08994	0.9
283.06308	0.6
283.09857	2.4
283.12927	0.6
295.06384	1.3
296.10669	1.0
297.11392	9.6
298.08600	1.4
298.11887	1.9
299.09348	3.4
300.10114	2.2
310.08487	1.0
311.09308	4.1
311.13013	2.8
313.10849	2.6
314.11691	4.9
315.12491	3.0
325.10837	3.0
326.11609	3.5
327.12262	1.7
329.14017	15.7
329.57840	0.7
330.14407	2.0
333.20715	1.3
339.08533	0.6
341.14041	6.5
342.14297	1.4
371.14966	1.0
401.64114	0.7
418.14954	0.7
419.15045	1.2
431.15176	3.6
433.16776	4.7
447.14926	0.7
461.16245	0.8
462.17017	3.7
463.17636	1.3
477.19299	18.4
478.19608	2.0
489.19455	2.2
492.17899	2.5
507.20343	100.0
508.20724	17.5
525.21271	2.1
537.21832	0.9
555.22638	9.4
555.30658	1.8
556.22803	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	554.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	23.4
60.01598	0.4
62.96289	0.2
70.67579	0.6
78.95793	17.7
96.95924	0.5
96.96818	0.3
122.98394	0.5
152.99516	2.9
168.04271	2.7
199.80566	0.2
213.84138	0.2
224.06941	7.9
242.08028	1.6
255.23318	100.0
256.23666	8.0
379.77402	0.2
480.31039	70.2
481.31357	8.8
554.33582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32863	0.2
57.03336	0.4
59.01268	2.5
61.98730	0.9
71.01275	1.8
71.59512	0.2
73.02810	0.3
75.00765	0.4
78.95798	4.8
79.38350	0.2
79.95632	2.6
83.01299	0.3
83.04915	0.2
85.02842	1.0
87.00747	0.2
89.02343	1.2
89.08598	0.2
95.01283	0.2
96.95917	100.0
96.96813	6.0
97.02845	0.2
97.95838	0.3
98.02380	4.3
99.00774	0.3
101.02336	0.8
108.02031	0.2
109.02863	0.3
110.02352	0.3
111.00711	0.2
113.02361	0.7
116.92776	0.6
119.03425	0.3
121.02873	0.5
123.04462	0.2
125.02371	0.4
134.03607	0.2
134.04675	0.3
135.04472	0.3
137.02397	1.0
147.04477	0.3
148.05208	0.2
149.02396	0.3
149.04778	0.2
149.06032	0.8
151.03970	0.4
160.04008	0.2
161.04517	0.3
163.03973	0.2
164.04782	0.2
165.01843	0.2
165.05484	0.4
166.04959	0.2
166.06236	0.2
177.05516	0.2
181.05069	0.2
187.06396	0.3
199.13622	0.2
202.08682	0.4
269.04562	0.5
270.05161	0.2
293.08862	0.4
299.09229	0.2
343.12003	0.2
346.05679	1.4
540.20087	0.2
555.15546	0.2
555.22711	3.2
555.30969	0.3
556.18109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
61.98727	2.2
71.59772	0.8
78.95795	5.9
96.95914	0.9
114.72259	0.4
121.66858	0.4
148.76894	0.5
152.99501	1.2
155.74358	0.4
160.84146	1.4
168.04237	1.8
209.87708	0.5
217.00342	0.5
224.06964	0.9
242.07993	2.9
248.21153	0.5
279.23337	100.0
280.23639	10.1
504.31085	39.7
505.31369	5.8
554.31635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61083	0.2
59.01269	1.1
61.98716	100.0
63.96127	0.4
67.52756	0.2
68.60713	0.2
69.44186	1.6
71.01263	3.0
73.02847	0.7
78.98480	1.9
78.99457	0.2
79.95616	3.1
80.96408	21.9
81.03381	0.2
85.02854	1.2
87.00790	1.1
94.97984	5.5
96.95928	0.6
97.02863	0.5
99.00779	0.2
101.02330	0.9
106.97967	1.0
122.97486	1.4
125.02372	1.2
127.03931	0.3
132.69034	0.2
134.97472	1.5
136.99091	0.6
148.97952	0.3
148.99069	2.4
152.98569	2.6
164.98584	4.7
167.00116	0.2
182.99759	0.2
206.99704	1.1
225.00735	6.7
255.09904	0.3
255.23312	2.3
256.23743	2.0
257.23898	1.3
258.24323	0.6
299.04501	1.3
368.28018	0.2
391.79434	0.2
554.32446	0.3
555.28522	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2314
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
55.01762	2.2
57.03333	1.6
58.00483	1.6
59.01266	33.8
60.01614	0.6
60.99178	0.6
61.98716	1.2
71.01273	21.9
71.61659	1.0
72.99197	3.1
73.02836	4.8
75.00769	1.7
83.01271	3.9
83.14080	0.5
83.44140	0.5
85.02848	10.7
85.99994	0.9
87.00765	3.1
88.98687	2.5
89.02343	11.6
93.03361	0.9
95.01298	1.8
96.95924	2.7
97.02845	0.9
99.00805	3.0
101.02348	15.1
108.02106	0.6
109.02879	2.6
111.00824	0.9
113.02351	8.3
115.00314	0.8
119.03403	3.9
119.04936	0.6
121.02869	3.7
122.03661	1.2
123.04443	0.8
124.01592	1.3
125.02362	2.1
129.01923	0.9
134.03696	1.1
135.04460	4.7
136.05278	0.7
137.02376	9.6
138.03168	2.6
139.00331	0.8
139.04013	1.2
145.02934	0.9
147.04433	2.8
148.05290	0.9
149.02406	0.7
149.04533	0.8
149.05997	1.9
150.03174	2.6
151.03947	3.1
152.04735	1.6
154.02574	0.6
159.04546	0.6
161.02376	1.5
161.04536	2.1
161.06036	2.4
162.06799	1.2
163.03918	2.8
164.04556	2.0
165.01820	0.9
165.05528	6.0
166.06215	0.7
170.02138	0.8
174.03188	1.0
175.03967	3.3
176.04428	2.9
177.05606	1.5
179.03452	1.6
179.05600	0.9
179.07051	2.2
180.04282	4.7
180.07877	2.4
181.05040	5.2
181.08569	1.2
184.03722	1.1
188.04807	0.8
189.05492	2.1
190.06334	3.8
191.07007	3.3
192.07286	1.9
193.05070	2.9
193.07500	0.7
194.05742	3.1
195.06618	6.9
205.08757	3.1
206.05850	0.8
206.09087	2.1
207.06592	3.0
207.09319	1.0
208.07300	2.8
209.08144	2.6
221.08160	0.6
223.06186	0.7
223.09756	0.8
267.07019	0.7
285.11557	0.8
300.02817	0.6
313.11044	0.7
315.08871	0.7
325.11072	0.7
328.13138	0.5
331.11752	1.8
331.24985	2.1
343.11874	2.1
343.15375	0.6
344.12799	0.8
345.13297	2.3
346.13867	0.9
347.14865	0.7
358.14349	2.8
359.15143	11.4
360.15482	13.1
361.15976	21.8
362.16519	0.8
368.39102	0.6
373.12665	1.4
373.16559	3.3
376.15347	8.9
377.15805	1.1
391.17728	39.6
391.26526	1.2
392.18146	4.1
405.15607	1.0
493.23199	1.5
493.30667	1.4
506.27118	0.8
507.27197	0.9
523.21851	2.5
535.21838	2.6
536.22070	0.8
538.20642	0.8
552.30981	0.9
553.23016	100.0
553.32196	21.2
554.23535	13.9
554.32062	1.3
584.13867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42936	0.8
55.01775	4.7
57.03337	5.7
58.00483	2.1
59.01267	56.0
59.96667	0.8
61.98702	3.9
69.03333	2.3
69.43600	9.2
70.18263	1.0
71.01272	83.7
72.99178	3.2
73.02838	27.0
75.00745	1.7
83.01283	12.9
85.02847	37.5
86.03189	1.3
87.00771	3.7
88.98685	1.0
89.02337	17.0
93.03333	1.0
95.01283	6.5
96.95921	1.4
97.02847	2.5
98.19864	2.0
99.00786	12.6
99.04368	0.9
101.02349	55.1
101.06002	1.0
109.98363	1.0
113.02365	31.0
119.03350	0.9
119.04903	1.8
125.02380	6.4
128.13914	0.9
129.01865	2.6
131.03426	2.9
137.02341	1.8
143.03418	4.2
149.04485	3.5
151.03955	1.5
151.94965	1.0
152.08325	1.4
159.02916	7.3
161.04510	44.2
162.04871	1.1
163.03979	1.1
191.05597	1.2
205.03468	1.6
289.18079	2.1
293.08884	3.2
325.11066	1.1
359.66519	1.1
361.13007	100.0
362.13257	10.1
405.12280	1.4
479.21176	2.3
491.20966	2.0
493.17279	65.4
494.17627	11.3
523.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.2
57.03333	1.6
58.00483	1.6
59.01266	33.8
60.01614	0.6
60.99178	0.6
61.98716	1.2
71.01273	21.9
71.61659	1.0
72.99197	3.1
73.02836	4.8
75.00769	1.7
83.01271	3.9
83.14080	0.5
83.44140	0.5
85.02848	10.7
85.99994	0.9
87.00765	3.1
88.98687	2.5
89.02343	11.6
93.03361	0.9
95.01298	1.8
96.95924	2.7
97.02845	0.9
99.00805	3.0
101.02348	15.1
108.02106	0.6
109.02879	2.6
111.00824	0.9
113.02351	8.3
115.00314	0.8
119.03403	3.9
119.04936	0.6
121.02869	3.7
122.03661	1.2
123.04443	0.8
124.01592	1.3
125.02362	2.1
129.01923	0.9
134.03696	1.1
135.04460	4.7
136.05278	0.7
137.02376	9.6
138.03168	2.6
139.00331	0.8
139.04013	1.2
145.02934	0.9
147.04433	2.8
148.05290	0.9
149.02406	0.7
149.04533	0.8
149.05997	1.9
150.03174	2.6
151.03947	3.1
152.04735	1.6
154.02574	0.6
159.04546	0.6
161.02376	1.5
161.04536	2.1
161.06036	2.4
162.06799	1.2
163.03918	2.8
164.04556	2.0
165.01820	0.9
165.05528	6.0
166.06215	0.7
170.02138	0.8
174.03188	1.0
175.03967	3.3
176.04428	2.9
177.05606	1.5
179.03452	1.6
179.05600	0.9
179.07051	2.2
180.04282	4.7
180.07877	2.4
181.05040	5.2
181.08569	1.2
184.03722	1.1
188.04807	0.8
189.05492	2.1
190.06334	3.8
191.07007	3.3
192.07286	1.9
193.05070	2.9
193.07500	0.7
194.05742	3.1
195.06618	6.9
205.08757	3.1
206.05850	0.8
206.09087	2.1
207.06592	3.0
207.09319	1.0
208.07300	2.8
209.08144	2.6
221.08160	0.6
223.06186	0.7
223.09756	0.8
267.07019	0.7
285.11557	0.8
300.02817	0.6
313.11044	0.7
315.08871	0.7
325.11072	0.7
328.13138	0.5
331.11752	1.8
331.24985	2.1
343.11874	2.1
343.15375	0.6
344.12799	0.8
345.13297	2.3
346.13867	0.9
347.14865	0.7
358.14349	2.8
359.15143	11.4
360.15482	13.1
361.15976	21.8
362.16519	0.8
368.39102	0.6
373.12665	1.4
373.16559	3.3
376.15347	8.9
377.15805	1.1
391.17728	39.6
391.26526	1.2
392.18146	4.1
405.15607	1.0
493.23199	1.5
493.30667	1.4
506.27118	0.8
507.27197	0.9
523.21851	2.5
535.21838	2.6
536.22070	0.8
538.20642	0.8
552.30981	0.9
553.23016	100.0
553.32196	21.2
554.23535	13.9
554.32062	1.3
584.13867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93344	0.7
55.01752	0.7
57.03326	1.0
58.00464	0.7
58.29560	0.7
59.01266	15.9
59.62321	0.6
61.98716	0.8
66.01560	0.7
66.86250	0.6
66.94602	0.6
71.01264	8.0
71.60181	0.9
72.99208	1.7
73.02830	1.9
75.00749	2.6
83.01277	1.9
83.14327	0.7
85.02840	5.9
87.00777	2.1
89.02332	4.2
93.03343	2.0
95.01294	2.3
96.95920	1.1
99.00777	1.1
101.02348	4.4
108.02074	2.2
109.02856	1.6
113.02352	6.3
119.03428	1.9
119.04995	2.1
121.02879	8.4
122.03654	10.2
122.05994	1.0
123.04458	6.2
124.01581	2.0
125.02351	2.2
126.90453	1.3
132.02103	1.0
133.02878	2.1
134.03676	2.6
135.04454	5.6
136.01613	1.4
136.05240	10.0
136.07661	0.9
137.02377	3.9
138.03128	2.0
139.00291	0.9
139.03912	1.9
140.01086	2.0
145.02861	0.7
147.04437	1.4
149.02385	20.5
149.04341	0.7
149.06020	2.2
150.03166	86.9
151.03960	24.6
151.07614	1.9
152.01059	1.6
152.04341	0.9
152.48181	0.8
153.01881	1.4
155.03444	2.6
161.02397	1.0
161.04523	0.9
162.03178	2.0
163.03894	0.8
164.04701	5.3
165.01869	2.1
165.05521	100.0
166.02573	0.8
166.05847	5.1
167.03418	3.8
177.01959	1.1
177.05528	1.9
178.02710	0.7
179.03596	1.1
179.07053	1.1
180.04248	8.3
181.05026	22.1
181.12329	2.3
182.05472	0.9
193.05046	0.7
194.05835	1.6
195.06606	77.9
196.06976	4.3
207.06654	1.2
209.08148	1.7
211.06027	0.9
219.06757	1.7
225.11336	5.8
227.33243	0.7
237.07503	0.9
283.09634	1.1
311.09323	7.1
312.09879	0.8
331.12061	1.4
343.11951	19.3
344.12262	2.1
355.11771	1.1
361.13040	3.2
367.11996	0.8
376.15323	4.5
391.14026	92.9
391.17926	17.9
392.14117	11.2
392.18240	2.0
405.17633	2.7
493.23062	0.8
553.20508	13.8
553.32159	3.2
554.19965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1155
Annotation	2,3-Dihydroochnaflavone 7-O-methyl ether
Peak:m/z	Relative Intensity
52.92442	0.6
56.20345	0.5
59.01265	8.9
60.03489	0.6
61.98717	6.4
68.13274	0.5
69.32638	1.3
69.32967	6.3
71.01273	2.4
71.74148	0.6
73.02800	0.8
75.00744	0.7
85.02847	1.3
89.02328	1.8
93.03373	1.4
96.95898	2.2
101.02347	1.6
109.02866	1.5
113.02360	0.8
117.03371	6.5
123.00800	0.7
137.02361	0.7
183.04501	0.9
211.04010	1.9
224.04762	0.7
227.03499	2.0
239.03596	2.0
240.04250	1.5
241.05060	2.9
251.03635	2.8
253.01282	0.8
253.05194	1.4
261.05667	1.3
267.03070	6.3
268.03799	5.4
269.04602	5.6
270.05139	0.6
273.05545	0.8
275.07388	0.6
275.45081	0.5
277.05161	1.6
289.05029	1.2
293.04630	0.9
303.06711	1.5
305.04709	4.3
306.05072	0.7
315.06604	0.8
317.04614	2.5
319.06137	0.9
329.04678	1.4
330.05258	0.6
331.06216	0.9
333.03958	3.0
345.04041	1.1
347.05661	2.1
350.15796	0.6
355.06198	1.0
358.04709	1.1
359.05664	1.1
361.03613	2.5
361.22519	0.9
371.05661	2.3
372.06497	1.5
373.03561	1.3
375.05200	1.1
376.05920	1.6
385.03415	1.0
399.05045	1.3
400.05841	4.6
401.02591	0.9
403.04742	1.2
409.07352	0.7
411.05295	1.2
418.06992	1.4
423.09064	5.6
424.09247	1.4
428.05359	1.3
429.01602	1.3
429.06262	2.8
435.08920	2.4
437.06577	0.9
441.58170	0.7
444.04395	0.8
451.08188	0.9
459.07306	3.1
467.07834	1.7
479.07776	1.4
495.06952	1.0
499.17191	0.9
507.07492	2.4
523.06830	7.7
524.07166	2.0
535.10382	1.0
538.09149	7.1
539.09454	1.3
553.11517	100.0
553.30176	2.1
554.11884	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	553.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.0
59.01267	12.8
69.03262	0.7
71.01264	7.3
71.04581	0.7
71.18027	1.4
72.99187	1.2
73.02839	2.4
75.00749	1.1
83.01276	1.9
85.02835	3.4
87.94094	0.6
89.02326	3.5
93.03373	0.9
96.95879	1.2
101.02358	3.8
108.02066	1.3
113.02365	6.1
119.03471	0.7
119.04930	0.9
119.17733	0.6
121.02880	9.0
122.03679	4.1
123.04456	4.5
124.01578	0.8
125.02411	0.7
132.02055	0.9
133.02834	3.3
134.03661	1.7
135.04437	4.8
136.05238	12.8
136.90393	0.8
137.02368	1.3
137.05980	2.1
140.01068	1.0
145.02890	0.8
147.04489	0.8
148.01614	1.1
149.01242	1.2
149.02385	16.6
149.06033	2.6
149.47562	0.7
150.03169	54.2
151.03967	12.0
151.07536	1.8
152.01088	1.0
155.03415	1.0
162.03111	0.9
163.03929	1.1
164.04718	6.7
165.01866	3.0
165.05525	43.6
166.05869	2.5
167.03473	1.3
180.04291	1.9
181.05017	7.2
189.21449	0.6
195.06604	41.1
196.06955	2.1
199.22389	0.7
219.06589	1.5
243.12265	0.7
251.07080	1.0
279.06772	0.8
283.09793	5.4
284.10425	2.0
299.09326	1.3
299.12848	0.8
308.10675	1.1
311.09335	9.5
312.09760	1.6
313.07324	4.6
316.09470	1.0
323.13290	0.8
325.10892	2.5
343.11926	72.1
344.12332	8.6
367.11938	3.0
368.12695	0.8
373.09012	0.9
385.13242	1.5
386.85077	0.7
391.14066	100.0
392.14349	14.0
553.20264	3.5
553.32410	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1154
Annotation	2'',3''-Dihydroisocryptomerin
Peak:m/z	Relative Intensity
59.01260	2.5
61.98724	4.1
70.80531	1.6
71.01262	0.8
77.45468	0.4
93.03349	1.6
93.51799	0.4
96.95911	5.1
101.02280	0.6
101.36067	0.4
109.02845	1.4
117.03381	6.3
120.92107	0.4
121.02855	0.7
123.00808	1.0
129.18390	0.4
137.02361	0.5
159.04347	0.5
163.84390	0.4
173.24666	0.4
195.04428	0.7
197.06084	0.6
203.03757	0.4
211.03961	1.7
212.04680	0.4
223.03891	0.6
227.03442	2.2
233.06148	0.4
239.03522	2.1
240.04218	1.3
241.05057	2.1
251.03441	1.7
252.04274	0.6
254.02071	0.5
255.02995	2.0
256.03833	0.8
261.05554	1.3
267.03036	5.0
267.06570	0.6
268.03766	6.9
269.04605	5.7
270.05270	1.5
273.05914	0.5
277.05051	2.1
280.03772	0.6
281.04572	0.6
282.05243	0.5
285.07852	0.8
289.05084	1.4
293.04453	0.5
297.07922	0.5
301.05078	1.0
303.06671	1.5
305.04602	4.1
307.99487	0.4
315.06577	0.6
317.04474	2.6
318.04987	0.5
319.06061	0.5
327.06564	0.6
329.04465	0.7
330.05362	0.9
333.04080	3.0
341.04407	0.5
343.06110	1.1
344.06726	0.5
345.04004	1.1
345.07697	0.7
347.05637	2.4
355.06241	0.6
356.06946	0.6
357.04108	0.6
358.04831	1.2
359.05667	0.9
361.03595	2.4
371.05518	2.6
372.06485	2.8
373.03256	0.8
373.07355	0.7
375.05206	1.0
376.05771	2.1
383.05615	0.6
385.07419	0.6
391.08228	0.5
393.07538	0.5
399.04895	0.7
400.06000	3.6
401.02402	0.6
401.06876	1.4
402.03506	0.6
403.04532	1.1
407.09756	0.5
409.07169	0.7
411.05261	1.2
413.07053	0.7
415.08234	0.7
417.07623	0.8
418.07104	2.1
423.08975	5.0
428.05255	1.2
429.02466	2.8
429.06592	2.1
430.07193	0.6
431.11221	0.6
433.08691	1.3
435.08603	1.2
444.04910	1.1
451.08319	1.1
459.07397	3.9
460.07150	0.6
461.06540	0.8
463.08383	1.1
467.07614	1.7
468.08707	0.6
479.07922	1.8
493.30295	0.6
495.07123	1.3
506.07224	0.5
507.07330	3.1
508.07861	0.6
509.08270	0.7
521.08405	0.7
523.06708	9.0
524.07166	1.5
538.09143	5.8
552.32111	0.7
553.11475	100.0
554.11768	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	551.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69140	0.2
59.01265	13.2
60.58786	0.2
61.98710	1.0
71.01262	2.3
71.11002	0.6
73.02828	0.8
83.01275	0.4
85.02832	0.7
87.00785	0.3
89.02348	2.7
96.95926	0.3
101.02346	3.0
113.02362	1.2
119.03414	0.9
129.45070	0.3
133.04973	0.5
143.03470	0.3
161.04492	1.4
166.47780	0.2
179.05600	0.4
235.08221	2.7
237.22217	0.3
253.09343	13.5
254.09708	0.7
255.23343	100.0
256.23682	8.2
321.20724	0.3
407.12860	0.3
440.58014	0.2
491.32617	1.1
509.94235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.7
59.01529	0.4
61.98716	4.2
64.24581	0.4
78.95798	6.0
87.07159	0.4
96.95899	1.7
98.20621	0.6
117.36147	0.4
152.99519	1.1
157.16704	0.4
168.04346	1.9
195.21657	0.4
221.21959	0.4
224.06912	1.1
242.07970	3.7
275.20352	0.6
277.21777	100.0
278.22107	10.5
338.11142	0.5
366.45770	0.5
366.79480	0.4
432.15366	0.7
502.29510	46.3
503.29819	7.4
552.30524	0.5
553.31494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3086
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
55.01772	1.0
57.03331	1.5
57.43365	0.2
58.00487	0.3
59.01265	49.1
60.01612	0.5
71.01270	13.2
71.04907	0.7
72.99197	0.7
73.02833	4.1
75.00765	0.5
78.68832	0.2
83.01269	2.2
85.02843	6.8
87.00755	1.2
89.02337	4.8
95.01291	1.3
97.02847	0.4
97.06491	0.4
97.92390	0.2
99.00786	1.7
101.02348	13.6
102.02696	0.2
108.02074	0.3
109.02874	0.4
111.00799	0.8
113.02364	6.2
114.48396	0.2
119.03411	1.5
123.08094	0.9
129.01846	0.6
131.03400	0.3
132.40082	0.3
134.03641	0.2
137.09683	0.4
139.11250	0.2
143.03427	0.4
149.04385	0.3
152.08342	0.4
157.12270	1.8
159.02931	0.9
161.04495	1.3
163.03961	0.3
165.05551	0.4
178.43651	0.2
179.05524	0.3
182.15428	0.2
187.13339	0.5
197.15225	0.2
205.16081	0.2
205.39586	0.2
216.13577	0.3
245.19141	0.4
259.19119	0.5
261.18671	0.3
263.20212	3.0
264.20676	0.3
275.20270	0.3
281.21222	0.8
282.21573	0.3
293.21286	3.4
294.21484	0.4
311.22400	2.5
312.22604	0.3
327.25464	0.2
329.23395	1.0
358.10727	0.3
359.15222	0.3
371.24567	0.8
373.13007	0.6
378.18866	0.5
385.12891	0.9
389.25589	1.4
419.19333	0.3
455.26672	0.8
473.27811	2.0
473.82550	0.3
491.28879	3.0
521.20367	0.7
533.20374	0.9
551.30853	100.0
552.31177	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	551.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.3
57.03351	1.6
58.00492	0.9
59.01266	55.3
60.01608	0.8
65.91955	0.2
71.01273	17.5
71.04905	0.7
71.52290	0.2
71.63177	0.3
71.63555	0.3
72.01629	0.3
72.96276	0.2
72.99198	1.6
73.02833	3.2
73.29153	0.3
75.00761	1.3
83.01281	1.7
85.02843	6.7
87.00781	1.2
89.02339	12.9
92.39513	0.2
93.03362	2.0
95.01279	1.2
97.02847	0.5
97.06487	0.7
98.04105	0.3
99.00786	1.7
101.02349	13.9
102.02682	0.3
108.02084	8.3
109.02879	1.7
109.06461	0.3
111.00815	0.5
111.08108	0.3
113.02361	7.1
115.00321	0.6
115.07600	0.5
119.03422	4.4
119.04977	0.4
121.02892	0.4
123.00861	0.4
123.04455	5.3
123.08083	0.6
125.02386	0.5
127.11229	0.3
129.01891	0.7
131.03455	0.5
133.02911	0.5
133.05011	0.3
134.03679	0.7
135.04440	0.8
135.05438	0.3
137.02414	0.4
137.09697	0.3
142.29968	0.3
143.03455	0.4
146.03662	0.5
147.04527	0.4
148.05240	1.9
149.02330	0.4
149.04413	0.4
149.05965	0.5
150.03189	2.8
151.03874	0.3
152.08414	0.3
153.09196	0.5
155.10721	0.5
157.12268	0.9
159.02991	0.7
159.04460	1.2
161.02496	0.3
161.04515	1.4
161.05840	0.3
163.03917	0.3
164.04755	0.4
165.05525	3.7
167.10640	0.3
173.06078	0.4
177.05447	0.3
179.05576	0.7
179.07112	0.4
179.80559	0.3
180.04308	1.3
183.13899	0.4
185.11714	0.3
187.13463	0.3
191.03470	0.5
193.05025	0.3
195.06587	0.4
208.03915	0.3
216.13689	0.4
227.12912	0.6
228.81360	0.3
252.07912	0.9
253.08586	0.4
259.19214	0.3
263.20218	1.8
267.10336	0.4
275.20255	0.4
276.46414	0.3
280.11121	2.3
281.11545	0.4
293.21338	2.4
295.13541	4.1
296.13739	0.5
311.22397	1.6
325.14554	1.0
327.25803	0.3
329.16254	0.6
329.23392	1.0
341.10324	0.9
357.72824	0.3
359.11374	0.4
365.09653	0.3
371.15128	0.9
371.24329	0.6
378.18759	0.4
389.25531	1.1
403.15393	0.4
419.18811	0.8
435.14334	0.6
445.16504	0.6
455.26608	0.5
463.17648	2.2
473.27731	1.6
491.21454	1.2
491.28705	2.5
507.16000	0.4
551.16162	5.2
551.30853	100.0
552.16626	0.8
552.31183	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	551.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
61.98712	82.8
71.01263	39.4
71.61108	20.2
72.32232	13.8
73.02835	18.7
79.95641	23.5
80.57217	13.1
83.55720	12.3
85.02845	20.4
93.46233	13.9
96.95915	96.5
101.02350	48.1
113.02341	24.4
146.57747	14.1
151.28751	12.5
206.26840	14.3
216.48857	14.5
273.17123	13.5
359.24503	44.7
491.28610	41.4
492.29602	17.3
501.00607	15.0
515.28925	16.1
551.10645	26.7
551.27008	82.2
552.28278	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	551.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67092	9.2
59.01268	19.3
61.98717	100.0
69.37262	67.5
69.37668	22.2
96.95889	33.2
98.19823	13.7
103.39474	9.5
110.72887	10.6
113.82590	8.5
279.23209	15.5
332.55133	9.2
384.74274	11.0
488.34344	12.4
500.99374	9.5
551.30249	29.6
553.76617	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	551.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	31.5
61.98719	100.0
71.60719	10.3
96.95924	38.6
114.86343	7.9
192.60904	6.9
200.14700	7.2
250.71692	8.8
279.23001	9.9
431.27869	11.2
538.92059	7.8
551.30072	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73241	0.3
55.01763	0.9
57.03339	1.7
58.00477	1.0
59.01264	53.4
60.01609	0.8
61.98719	0.8
66.91885	0.4
69.58722	2.9
71.01270	16.7
71.04932	0.4
72.99200	1.6
73.02843	4.0
75.00766	1.2
83.01258	1.8
85.02844	6.4
87.00779	1.6
87.38683	0.3
88.98701	0.9
89.02339	11.4
93.03358	3.9
95.01291	1.5
96.95923	0.7
97.06483	0.5
99.00790	1.6
101.02345	13.1
103.43272	0.4
105.20397	0.4
108.02076	0.7
111.00826	0.5
113.02357	6.7
115.00255	0.9
119.03420	5.0
119.04936	0.6
121.02869	3.3
123.00811	1.2
123.04400	0.5
123.08077	1.1
124.01551	0.5
125.02312	0.5
126.58127	0.4
130.24025	0.4
131.03459	0.9
133.02875	1.3
135.04424	0.6
137.02385	0.7
137.09698	0.4
143.03401	0.6
147.04474	1.1
148.05232	0.6
149.02324	0.5
149.04482	1.1
150.03183	0.7
151.03986	0.7
153.09160	0.5
161.02373	1.4
161.04527	1.2
165.05537	1.4
165.12816	1.7
166.99852	0.6
167.10779	0.5
179.05560	0.8
180.04234	0.7
183.13879	4.0
187.13377	1.0
195.06668	0.9
207.13898	0.6
220.99428	0.4
223.06068	1.2
227.12894	5.1
231.12357	0.5
249.06306	0.5
251.12941	1.0
283.00885	0.5
293.14218	0.5
293.21271	4.0
294.21500	0.4
310.11932	0.6
311.22275	2.2
325.14554	1.9
329.23416	4.4
330.23886	0.4
341.99570	0.4
371.11618	0.6
371.23807	1.3
389.18234	1.1
389.25507	6.3
390.25906	0.5
401.15637	0.5
419.18579	4.3
420.18933	0.8
445.17346	0.4
463.17923	0.7
473.27643	1.6
491.28665	3.0
507.28119	0.5
533.29724	1.2
551.30847	100.0
552.31183	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	551.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
57.03341	3.7
58.00479	0.6
58.75574	0.3
59.01266	23.5
60.01588	0.3
61.98708	1.1
67.01772	0.8
68.99702	0.9
69.03341	1.2
71.01271	21.7
71.18732	0.7
72.99210	4.1
73.02832	2.1
74.53436	0.3
75.00769	15.0
75.46568	0.3
81.03351	0.6
83.01278	1.4
83.04918	0.7
84.02076	0.6
85.02845	24.5
87.00773	6.7
89.02341	7.9
91.03909	1.4
93.03337	0.9
95.01286	4.9
96.95921	1.8
97.06506	0.6
97.40957	0.3
99.00782	9.2
99.04423	0.5
101.02351	2.5
103.00284	2.0
109.02893	0.9
109.06535	0.4
111.00809	1.4
111.08067	1.6
113.02359	28.6
114.02683	0.5
115.00296	1.4
115.03876	0.4
117.01860	2.4
119.03446	0.8
119.04962	0.5
125.02331	0.5
128.90077	0.4
129.01839	2.6
130.99826	0.6
131.03439	0.9
134.03664	1.2
135.04477	0.4
149.04507	1.4
149.06055	0.5
157.01395	0.7
161.04472	0.5
163.03996	0.7
165.12807	13.1
166.13123	0.6
171.13858	0.5
175.02455	2.4
183.13875	42.2
184.14224	2.3
187.09720	1.3
191.01967	1.0
191.10789	0.4
193.05011	0.7
199.13382	0.6
205.07121	0.9
207.05072	0.8
209.11765	1.5
227.12895	6.6
231.05136	0.6
235.63881	0.4
243.16074	1.0
249.06184	14.2
250.06621	0.6
267.07275	42.7
268.07715	2.0
283.06287	0.5
301.16663	2.9
302.17236	0.5
311.22299	0.5
327.25528	1.1
329.23401	11.5
330.23715	1.0
353.10324	2.1
359.20694	0.4
389.18085	0.9
389.25574	10.9
390.25839	0.8
415.20065	1.7
431.26413	0.8
459.19006	1.0
477.20013	1.2
491.32837	0.5
507.27704	1.0
533.22424	1.5
551.23572	100.0
551.30548	5.3
552.23993	13.7
552.31287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.5
57.03336	3.8
58.00471	0.6
58.94028	0.4
59.01265	31.6
61.98712	1.6
67.01768	1.0
68.99701	1.7
69.03332	1.2
69.79457	0.4
71.01273	23.3
71.63019	0.5
72.99202	5.8
73.02841	2.6
75.00762	17.5
81.03357	0.8
83.01283	1.3
83.04918	0.7
85.02847	23.1
87.00779	9.8
87.04401	0.7
87.30590	0.5
88.00294	0.6
88.01109	0.5
88.98695	0.6
89.02344	8.1
91.03895	1.2
93.03328	0.9
95.01283	5.6
96.95920	0.8
97.02854	0.7
99.00790	8.8
101.02357	3.9
103.00282	2.0
109.02872	0.8
111.00774	1.0
111.08061	1.7
112.01585	0.5
113.02359	31.1
114.02708	0.9
115.00272	2.5
117.01874	3.1
119.04949	3.0
121.02852	0.6
129.01845	1.8
131.03398	1.3
134.03676	2.6
140.72641	0.5
141.12781	0.7
147.04471	1.1
149.04411	0.8
149.06004	1.8
157.01367	1.0
163.03960	1.8
165.05489	1.0
165.12805	14.8
166.13106	0.7
175.02475	2.3
183.13879	40.2
184.14198	2.2
187.09726	1.5
192.04253	0.5
193.05013	2.7
198.25464	0.5
201.14906	1.7
205.07214	1.4
207.05139	1.3
209.11919	2.2
225.05626	0.5
225.79619	0.5
227.12892	4.5
231.05054	0.9
249.06197	13.2
250.06479	0.8
253.08647	0.9
267.07291	39.2
268.07559	2.5
269.08105	0.5
298.11859	0.5
301.16650	2.8
329.23386	1.0
389.25522	3.7
415.19778	1.7
459.18912	0.7
461.20026	0.5
477.19772	1.6
491.31998	0.5
507.28302	8.0
508.28543	0.9
533.22235	1.5
549.24249	0.5
551.16333	4.8
551.23541	100.0
552.16315	1.0
552.23883	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	551.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	6.0
57.03330	4.8
58.00468	2.9
59.01263	80.6
69.03358	1.5
71.01267	55.9
71.04874	2.0
71.24801	2.5
71.25147	1.9
72.99185	2.6
73.02831	19.6
75.00754	3.4
81.03350	1.7
83.01273	12.1
83.10315	1.4
84.14693	1.3
85.02842	27.0
86.03174	1.5
87.00764	4.8
89.02328	17.3
93.03349	2.9
95.01297	3.7
97.02862	2.7
99.00780	8.2
99.04440	4.0
101.02348	59.7
103.03915	2.9
108.02084	13.3
109.02877	2.2
109.06503	1.7
110.54446	1.4
113.02355	26.8
116.92800	1.7
118.63476	1.4
119.03432	3.4
121.02948	2.0
121.06532	1.5
123.04454	9.2
125.02362	3.2
131.03389	2.1
133.02908	2.8
134.03688	1.7
135.04507	2.5
137.06006	2.4
139.07605	1.9
143.03419	1.8
147.04517	1.6
149.06085	1.7
150.03195	3.7
152.01164	1.9
159.02957	3.0
161.04506	27.4
161.05852	2.0
165.05576	5.3
169.08650	2.1
179.05524	2.7
185.20222	1.4
195.06517	1.6
208.90408	1.2
215.12839	2.3
227.12880	15.3
253.08719	1.9
257.08209	1.8
267.06577	1.9
277.10455	1.5
280.11188	3.1
295.13498	5.8
299.12961	3.1
313.10727	1.4
329.16171	25.8
359.15088	1.5
371.24448	3.2
387.10910	2.4
389.25531	3.1
403.23376	2.2
419.19003	3.7
463.17554	3.2
491.21454	100.0
492.21698	11.6
505.20813	1.6
551.15796	3.5
551.23792	3.3
551.30975	49.2
552.23041	4.1
552.31134	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85069	1.1
55.57354	1.2
57.03345	1.9
59.01263	58.0
61.98721	3.3
68.28523	1.4
69.03347	2.1
71.01267	27.5
71.01643	1.2
71.54706	1.3
71.55148	1.9
72.99187	4.5
73.02831	5.8
75.00740	3.0
82.04033	1.5
83.01285	2.0
83.02395	1.9
85.02834	9.6
87.00768	3.3
89.02337	24.8
93.03352	1.3
95.01287	6.0
97.02859	2.1
99.00813	1.9
99.91040	1.4
101.02349	23.5
107.04967	1.7
111.08022	2.4
113.02363	15.2
119.03426	7.5
121.02841	3.2
122.02405	3.0
122.03305	1.5
123.00796	13.6
123.01820	2.5
125.02386	2.0
131.03433	2.7
143.03401	1.8
149.04546	2.1
149.05975	2.2
150.03188	1.3
151.03972	17.3
161.04510	4.9
165.05415	1.4
165.12801	27.2
166.13193	1.4
179.05574	2.8
183.13873	64.7
184.14215	2.7
189.12848	1.4
190.96408	1.3
207.13933	4.4
209.11838	3.0
215.12886	2.2
225.15045	1.9
227.12888	100.0
228.13240	5.4
237.15106	2.1
249.15004	1.5
251.12856	13.4
255.97897	1.4
257.08218	12.2
258.08862	2.2
263.12943	5.4
265.14493	1.5
269.13937	3.3
281.14120	4.5
293.08920	1.7
293.13953	6.3
293.21179	2.6
299.15070	2.8
311.22266	2.3
329.16101	5.7
329.23471	3.1
389.18207	22.1
389.25558	13.6
390.18497	2.8
390.26071	2.9
419.18826	2.2
547.31189	1.2
551.30902	73.7
552.31287	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	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85069	1.1
55.57354	1.2
57.03345	1.9
59.01263	58.0
61.98721	3.3
68.28523	1.4
69.03347	2.1
71.01267	27.5
71.01643	1.2
71.54706	1.3
71.55148	1.9
72.99187	4.5
73.02831	5.8
75.00740	3.0
82.04033	1.5
83.01285	2.0
83.02395	1.9
85.02834	9.6
87.00768	3.3
89.02337	24.8
93.03352	1.3
95.01287	6.0
97.02859	2.1
99.00813	1.9
99.91040	1.4
101.02349	23.5
107.04967	1.7
111.08022	2.4
113.02363	15.2
119.03426	7.5
121.02841	3.2
122.02405	3.0
122.03305	1.5
123.00796	13.6
123.01820	2.5
125.02386	2.0
131.03433	2.7
143.03401	1.8
149.04546	2.1
149.05975	2.2
150.03188	1.3
151.03972	17.3
161.04510	4.9
165.05415	1.4
165.12801	27.2
166.13193	1.4
179.05574	2.8
183.13873	64.7
184.14215	2.7
189.12848	1.4
190.96408	1.3
207.13933	4.4
209.11838	3.0
215.12886	2.2
225.15045	1.9
227.12888	100.0
228.13240	5.4
237.15106	2.1
249.15004	1.5
251.12856	13.4
255.97897	1.4
257.08218	12.2
258.08862	2.2
263.12943	5.4
265.14493	1.5
269.13937	3.3
281.14120	4.5
293.08920	1.7
293.13953	6.3
293.21179	2.6
299.15070	2.8
311.22266	2.3
329.16101	5.7
329.23471	3.1
389.18207	22.1
389.25558	13.6
390.18497	2.8
390.26071	2.9
419.18826	2.2
547.31189	1.2
551.30902	73.7
552.31287	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	551.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.8
56.25212	0.9
57.03336	3.2
58.00480	2.8
59.01266	87.4
60.01607	1.0
61.98729	0.9
69.03345	1.7
69.46327	5.7
69.46741	1.4
71.01272	32.5
72.99207	1.8
73.02838	5.8
75.00795	1.7
78.66308	0.8
83.01273	2.7
85.02845	12.4
85.18533	0.9
85.97253	0.8
87.00771	2.0
88.04412	0.7
89.02338	32.9
93.03362	3.1
95.01298	1.7
96.36843	0.8
99.00760	1.6
100.96431	0.8
101.02335	12.3
101.02944	1.4
101.21368	0.7
108.02067	3.8
109.02863	9.6
110.03178	1.0
113.02360	11.1
115.00266	0.9
119.03410	9.6
123.04423	1.9
123.08068	1.8
129.01852	0.9
131.03432	2.1
133.02907	1.1
137.09659	1.3
141.09186	0.8
141.49197	0.7
143.03464	2.1
149.02376	1.4
149.04482	1.5
150.03154	2.2
152.01122	2.5
157.12285	2.4
159.04471	4.3
160.04848	0.8
161.04471	2.1
165.05515	2.9
172.05296	1.3
173.06047	4.6
174.03181	0.8
179.05540	4.5
179.06964	1.5
187.04031	1.0
187.07600	2.1
189.05548	1.8
190.06290	1.0
191.07076	1.5
193.01404	1.0
195.06578	1.8
203.07100	1.5
205.05060	0.9
208.03722	1.4
215.12904	3.3
220.07336	0.8
223.06163	2.1
235.09648	1.0
241.05063	5.7
253.05269	1.0
255.06622	3.8
263.20200	3.5
267.06921	1.3
268.07306	1.3
281.08218	2.2
283.09821	2.0
293.21375	2.7
295.09808	4.6
295.13281	1.9
296.10471	1.7
298.08569	1.3
299.09305	3.4
310.11664	0.9
311.09341	4.4
311.12784	1.4
311.22354	2.0
313.11002	5.5
313.72842	0.9
325.14597	1.0
326.11649	5.9
327.12207	1.0
329.10403	3.2
329.23254	5.9
341.13992	7.2
343.12067	1.2
344.12704	21.1
345.12924	2.4
347.11377	1.9
359.15085	48.7
360.15512	5.2
371.15048	5.1
371.24811	1.5
389.25549	28.1
390.25854	2.6
419.13617	0.9
452.32043	0.9
473.28079	1.5
491.19351	100.0
492.19647	16.1
507.10654	1.1
533.29919	3.4
551.14996	2.4
551.23065	1.6
551.30865	44.5
552.31348	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13300	0.2
55.34834	0.3
57.63718	0.2
59.01271	4.0
60.28160	0.2
71.01279	3.1
71.18230	0.5
73.02837	1.1
83.01282	0.5
85.02834	1.8
87.00784	0.5
89.02335	1.2
93.03394	0.5
93.36435	0.3
93.91710	0.2
95.01258	0.3
99.00771	0.5
101.02348	1.6
108.02086	0.3
113.02362	1.3
119.03439	0.3
119.04985	0.4
121.02888	3.5
122.03648	0.5
123.00824	0.3
123.04447	0.4
131.03452	0.3
135.04483	0.4
136.01537	0.3
136.05238	0.3
137.02344	1.1
137.06003	0.3
138.03094	0.2
139.00287	0.6
145.02896	1.9
146.07883	0.3
147.04469	1.7
149.02412	0.3
149.04478	0.3
150.03131	0.6
151.00266	0.4
151.03871	0.3
152.04688	0.4
153.01843	0.7
153.05510	0.5
154.02591	0.4
158.03630	0.3
159.04420	0.3
161.02437	0.4
161.04529	1.0
161.05923	0.5
162.03084	0.6
163.03961	5.6
164.04509	0.5
165.01875	1.1
165.05548	0.8
166.02844	0.2
167.03496	0.7
168.04214	0.5
173.02362	0.8
173.06001	0.4
174.03198	3.0
175.03967	16.3
176.04716	3.2
177.05521	1.9
179.03432	0.8
179.07098	0.3
180.04257	9.0
181.04744	0.5
188.04750	3.6
189.05531	7.7
190.06325	23.9
191.03485	0.8
191.07095	16.3
192.04269	0.8
192.07449	1.1
193.05032	10.3
193.06816	0.5
194.05823	6.1
195.06383	0.7
203.07126	2.5
204.07774	0.3
205.08687	21.4
206.05800	0.3
206.09045	1.3
207.06615	6.9
208.07393	16.4
209.04550	0.3
209.07727	1.1
211.05557	0.3
222.08929	1.8
223.06078	0.8
223.09744	1.6
225.99763	0.2
227.12854	0.6
245.03720	0.4
255.03046	0.9
256.03305	0.7
257.03537	0.3
271.02448	1.7
272.02942	1.1
273.03012	1.2
287.15271	0.4
300.02768	2.2
301.03326	2.1
302.03375	2.9
303.04025	0.8
303.67084	0.3
314.11502	0.4
329.10410	0.6
341.10547	0.5
341.94113	0.2
342.67731	0.3
344.12689	4.0
345.13535	0.3
359.15085	100.0
360.15445	12.0
378.09579	0.3
389.12488	0.4
389.16293	4.2
389.24829	0.3
390.16629	0.7
450.55997	0.3
505.26630	0.9
507.10669	3.4
508.11087	0.5
551.23218	0.9
551.30951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2146
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
51.08913	0.3
55.01768	1.9
57.03336	1.2
58.00478	1.7
59.01265	33.5
61.98692	0.4
69.85177	2.2
69.85596	0.7
71.01270	22.8
72.99194	1.7
73.02834	3.2
75.00774	1.5
82.02869	1.2
83.01281	2.7
85.02847	9.9
87.00782	2.1
88.26151	0.4
89.02337	12.3
95.01289	1.8
96.19926	0.4
96.68354	0.4
97.02853	0.4
99.00785	2.0
101.02348	15.5
101.03015	0.7
111.00797	0.6
113.01633	0.6
113.02357	6.0
114.02639	0.4
116.98333	0.4
119.03414	4.9
119.04868	0.4
121.02844	0.8
122.03704	0.4
123.00807	0.4
124.01560	1.7
125.02376	1.5
129.01877	0.4
131.03430	0.6
134.03697	0.9
135.04449	0.5
137.02350	1.2
139.03964	2.6
143.03429	0.8
147.02844	0.5
149.02382	0.5
149.04530	0.4
150.03166	1.3
151.03935	0.6
153.01906	0.4
153.05554	0.6
159.04468	0.9
160.03995	0.9
161.04471	1.6
163.03960	0.8
164.04686	0.5
165.01848	0.8
165.05508	1.7
172.05284	0.8
173.06030	1.1
179.05565	0.8
180.04169	0.4
182.25511	0.4
187.07628	1.1
189.05553	1.1
190.06305	0.7
191.01932	0.4
191.06963	1.0
193.05023	1.5
195.06604	1.6
203.06956	0.4
205.08626	0.7
217.08699	0.6
225.11464	0.4
232.04849	0.4
233.09251	1.2
241.05246	0.6
251.07382	0.5
253.05122	1.3
256.03723	1.9
268.03812	0.4
269.08237	0.6
270.09232	0.5
271.06223	1.9
278.06000	0.7
279.06656	1.3
283.06195	1.5
285.07651	0.6
287.10406	0.9
295.06161	1.0
296.06973	1.3
297.07675	1.2
298.08521	1.6
299.09125	0.5
301.10788	0.5
305.06851	0.5
309.07880	0.9
310.08466	0.9
311.09235	1.2
313.07184	0.5
316.09677	0.7
325.07397	0.6
325.10886	1.7
326.08087	2.4
326.11520	0.7
327.08701	1.5
328.09531	1.2
329.10559	2.0
341.06287	0.7
341.10349	7.7
341.14249	0.8
342.10724	1.0
343.11838	3.3
344.09018	1.0
344.12634	0.6
356.12726	3.4
357.13272	0.7
359.11414	10.8
359.15149	1.1
360.11838	1.9
371.11029	0.7
371.15039	2.5
374.13757	15.5
375.14310	2.0
389.16168	37.2
390.16473	5.7
525.56909	0.4
536.18817	0.8
551.21484	100.0
552.21844	18.5
552.30621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03326	1.0
59.01266	8.2
60.67578	0.5
61.98714	2.7
69.40361	4.5
71.01274	8.5
71.01636	0.9
72.99210	1.4
73.02837	0.9
75.00775	3.6
77.68806	0.5
83.01276	0.9
85.02839	6.7
87.00797	1.4
88.98682	0.6
89.02334	4.1
93.03363	2.7
94.38680	0.5
95.01291	1.5
96.95901	0.9
99.00776	1.2
101.02343	4.1
105.03389	0.8
108.02072	0.9
109.02903	0.8
111.00790	1.7
113.02373	8.0
117.03398	1.0
119.03405	0.6
119.04968	1.0
120.27287	0.5
120.93482	0.5
121.02872	23.6
122.03667	8.7
122.04482	1.0
123.04467	1.4
124.01649	0.6
125.02360	0.8
127.37406	0.6
129.01901	0.8
132.02103	3.2
133.02875	2.9
134.03664	47.0
134.72369	0.4
135.04399	2.1
136.01575	1.4
137.02373	6.2
139.03944	1.8
143.37500	0.5
145.05066	0.6
147.03023	0.5
147.04449	3.0
148.01552	0.9
148.05237	1.9
149.02383	25.0
149.06020	15.4
150.03169	65.3
151.03531	2.7
153.05461	0.9
160.01614	14.0
161.02228	0.6
161.04532	1.2
163.04019	0.8
164.04726	4.9
165.01903	9.5
165.05524	73.7
166.05879	3.3
167.03479	1.1
175.03967	17.5
175.05510	0.9
176.04709	4.7
177.01892	1.2
177.05330	0.8
178.02678	22.0
179.03291	1.5
179.05533	1.0
179.10541	0.6
180.04266	5.1
182.25270	0.5
191.01973	1.2
191.07123	4.5
193.05043	100.0
194.05428	4.4
195.06607	48.4
196.06909	3.3
205.06580	0.9
206.25720	0.5
209.02951	1.1
209.04738	0.6
217.05057	1.5
220.03673	0.9
221.06137	1.2
221.08282	0.6
223.50282	0.6
233.06166	1.0
234.06783	0.9
235.06100	8.6
235.08035	0.6
238.06364	1.0
239.07062	1.7
249.05821	1.4
250.06360	4.0
251.05476	1.0
253.08716	1.7
254.09370	0.9
265.08871	0.7
267.06818	1.9
282.09024	11.1
283.09384	1.0
297.07858	1.0
297.11264	1.2
326.08008	1.2
341.10367	43.3
342.10727	4.6
355.10303	3.0
360.16565	0.6
371.11551	0.6
383.07257	0.7
383.11618	3.6
389.12491	36.0
390.12766	4.6
391.98007	0.6
413.12463	0.9
431.13391	1.9
461.14105	0.6
491.20459	1.9
515.14191	1.3
551.13507	1.9
551.20300	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57039	0.6
57.03329	1.8
59.01266	25.3
61.98716	6.1
70.64800	0.6
71.01273	18.4
72.99187	1.4
73.02843	3.6
73.03191	0.6
75.00751	2.0
78.95818	0.6
78.97887	0.5
83.01273	1.8
85.02855	5.1
86.03154	0.6
87.00752	1.7
87.04436	0.7
88.71487	0.6
88.98687	1.4
89.02337	6.6
91.01788	1.2
91.05479	0.8
93.03366	6.4
94.29900	0.6
95.01299	0.9
96.95920	1.8
96.99198	1.2
98.20598	1.1
99.00736	1.2
99.04401	0.8
99.12054	0.6
101.02335	6.9
101.05949	0.6
108.02080	3.6
109.02843	4.2
111.00814	0.6
113.02343	3.8
115.00278	11.2
117.03368	1.7
118.13437	0.6
119.04945	59.1
120.05237	1.7
121.02861	3.7
122.03634	2.0
123.00835	1.1
123.04459	4.5
124.01566	2.9
125.02403	0.8
129.01843	0.7
129.03380	0.8
130.04138	0.8
131.03435	1.6
131.04860	0.7
133.02902	5.1
134.03667	65.4
135.04512	5.8
136.01579	1.7
136.05220	2.7
137.02383	3.7
143.04958	1.7
145.02896	1.0
145.06519	2.5
146.03674	3.0
147.04460	21.2
148.05159	1.9
149.02553	0.9
149.04541	3.5
149.06015	30.1
150.03180	1.5
150.06367	1.7
151.03900	2.0
153.05518	1.4
153.12804	4.4
158.03712	1.8
159.04442	7.3
160.01547	0.6
160.05153	2.0
161.02425	0.9
161.04492	1.7
161.06021	3.1
162.03146	2.3
163.03961	25.3
164.04688	3.9
165.05498	2.3
167.03404	1.3
173.06012	1.2
175.07639	0.9
177.05508	2.0
178.02686	4.5
179.03465	1.1
179.05592	0.7
179.10706	1.9
185.11826	0.6
187.03981	0.6
187.09717	0.7
190.02634	0.7
191.05582	1.1
192.04260	7.3
193.05038	47.6
194.05374	3.2
195.06606	5.2
197.06038	1.9
197.11783	5.4
209.15657	0.6
213.05544	0.8
225.05544	9.4
226.06252	3.8
227.07068	0.6
227.16533	2.3
227.60661	0.7
229.67300	0.6
236.08344	1.2
237.05496	3.0
237.09189	0.9
238.06346	4.3
239.07138	4.8
240.04301	2.2
240.07933	8.0
241.05206	1.0
241.08594	2.9
242.05763	2.4
243.16037	0.9
250.06291	0.8
251.07169	4.6
252.07922	8.2
253.08742	25.1
254.05713	0.8
254.06393	0.8
254.09482	16.6
255.06660	4.3
255.09892	1.7
256.07214	0.8
257.08325	1.0
265.08752	0.7
267.06824	1.9
267.10306	16.4
268.07462	5.9
268.10886	3.7
269.08206	7.4
269.11850	5.8
270.09052	5.2
271.09680	1.6
272.06946	1.2
280.07370	1.3
281.08151	1.7
282.08987	1.7
283.09790	12.0
284.03229	1.4
284.10553	5.4
285.11124	0.8
293.08948	1.4
295.06433	1.1
295.09778	1.9
297.11288	3.4
298.11984	1.6
299.05634	1.7
299.12939	1.8
310.08594	1.4
313.10812	2.1
314.07898	0.8
325.10944	0.8
327.25650	1.3
328.22058	0.9
329.10516	4.1
329.23459	8.9
339.08832	0.9
357.09869	8.0
387.10913	7.1
389.10727	0.7
389.25531	10.7
391.15305	0.9
417.21579	1.2
431.26566	2.2
433.24289	1.5
435.14517	2.4
449.27637	0.7
463.18011	1.3
464.17010	0.7
491.32883	0.9
506.27103	1.2
507.17004	3.0
507.27374	3.1
513.14990	0.7
551.15704	100.0
551.28961	9.4
552.16077	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	551.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30576	2.8
55.01747	2.9
57.03334	10.2
59.01263	50.1
69.33726	5.4
69.34125	25.6
71.01270	40.4
72.12819	3.1
72.99197	6.8
73.02833	9.0
75.00749	10.0
83.01276	7.1
85.02845	39.1
87.00784	4.4
89.02333	30.8
95.01272	6.0
96.95900	4.2
97.02834	4.4
99.00791	6.6
101.02351	26.7
109.02914	3.4
111.00787	9.0
113.02377	16.6
119.03390	7.5
123.04465	4.1
125.02405	4.6
130.67097	3.0
134.03658	28.1
135.04465	7.8
137.02345	3.6
139.04005	3.5
147.02927	3.1
148.05246	22.6
149.02353	6.1
149.04475	3.4
149.06015	12.4
150.03120	20.3
160.05237	9.5
161.02373	10.5
161.04457	9.5
162.03149	24.4
162.06862	3.4
163.03908	5.0
163.07614	6.8
164.04707	7.5
165.05537	17.5
166.08005	3.2
175.03969	9.4
176.01031	3.0
176.04736	7.9
177.05531	50.4
178.02650	8.2
179.05562	4.1
179.07013	3.9
180.04239	3.0
185.06114	4.3
187.03952	3.9
188.04739	6.8
189.05609	5.1
191.01901	8.5
191.07080	7.1
193.05090	37.7
194.02170	3.6
195.06627	17.8
202.06342	5.6
203.03520	3.7
204.04213	14.7
205.04932	3.6
207.06648	17.4
209.02950	15.9
214.06345	8.0
216.04283	4.2
219.06621	25.3
221.04590	3.3
221.08273	3.9
223.06165	8.7
228.04138	3.3
229.08661	4.9
232.07384	5.4
235.06143	6.6
247.09802	6.4
249.07677	3.9
251.05647	100.0
252.06000	5.8
258.05328	16.5
273.07791	27.9
274.07870	3.2
291.08920	6.0
293.06848	5.8
335.07779	7.4
341.10126	4.1
353.06595	5.9
357.09457	3.6
359.10928	3.8
361.36658	3.6
374.13943	3.8
383.07794	4.3
389.16431	7.1
471.15100	29.3
491.90967	3.2
515.14209	95.0
516.14313	9.0
551.13776	10.6
551.26904	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	551.0999
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
50.87169	0.6
51.79673	0.6
54.10987	0.6
59.01262	8.4
61.98712	4.2
71.01276	3.4
73.02833	0.7
82.38322	0.6
83.37851	0.6
85.02853	1.1
89.02315	1.8
96.95904	5.4
101.02362	1.5
109.02847	0.7
115.46647	0.7
123.00768	1.8
131.03366	0.9
161.04570	0.8
163.14064	0.6
214.20790	0.7
229.75339	0.7
267.03018	0.9
268.03668	0.7
303.03021	0.8
310.19617	0.6
342.05392	0.7
343.06213	1.3
357.04004	0.7
359.24487	2.1
369.04062	2.7
370.04773	1.4
371.05649	0.9
387.05756	0.8
393.07901	0.9
398.04532	3.4
399.05231	2.5
407.05576	2.8
411.05106	1.6
412.05893	2.7
413.06622	2.1
420.06610	1.2
421.07309	13.8
422.07559	1.8
426.03873	1.0
427.04712	6.2
431.05600	2.0
432.06485	3.0
433.07278	3.8
445.07632	0.7
447.05313	1.3
448.05972	1.0
449.06830	3.4
450.07199	1.2
459.05307	2.1
460.05627	2.4
461.06808	6.5
462.06955	1.5
465.06226	2.1
475.04749	1.8
476.05710	1.0
477.06363	4.5
490.35492	0.8
491.28778	2.0
493.06104	1.4
505.05801	7.4
506.05896	1.4
519.07196	0.9
521.05316	9.8
522.05536	1.7
536.07660	11.5
537.07819	1.9
551.09955	100.0
551.31110	8.9
552.10278	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	549.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.1
59.01262	0.9
61.08161	0.1
61.98700	0.1
71.01262	0.5
73.02804	0.2
75.00749	0.1
78.95793	0.7
79.43362	0.1
79.79140	0.1
79.95625	2.0
83.01268	0.1
83.02401	0.1
83.04914	0.1
85.00357	0.1
85.02844	0.8
86.02389	0.1
87.00742	0.1
89.02341	0.3
96.95913	100.0
97.95845	0.3
97.96397	0.1
98.02376	0.7
101.02359	0.3
108.02097	0.1
113.02344	0.3
116.92758	0.1
123.04414	0.1
135.04404	0.1
137.02385	0.1
147.03006	0.1
149.04488	0.1
151.00322	0.1
161.04555	0.1
178.99774	0.1
179.05629	0.1
191.01959	0.3
209.03011	0.3
219.41275	0.1
222.09308	0.1
229.58812	0.1
255.03035	0.2
271.02463	0.5
298.04733	0.1
300.02835	0.8
301.03494	0.3
310.49628	0.1
325.27588	0.1
387.10748	0.1
433.16974	0.1
463.09058	0.1
490.34021	0.7
505.10004	0.5
549.13489	0.3
549.22400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.5
56.62956	0.3
57.03328	1.1
58.00463	0.5
59.01265	27.9
61.98706	1.6
69.03345	1.0
69.34187	2.7
69.34597	0.9
71.01271	9.5
72.99186	1.5
73.02837	4.6
75.00737	0.8
83.01260	1.7
83.04931	0.7
85.02834	5.1
87.00761	1.5
87.04424	0.6
88.98696	1.0
89.02338	6.9
93.03355	2.4
95.01272	0.6
95.04892	0.4
96.95894	1.2
97.02866	0.7
97.06515	2.7
98.95495	0.6
99.00785	0.8
101.02352	6.8
103.03854	0.4
104.49628	0.4
108.02034	0.4
111.00743	0.5
111.08076	0.7
113.02351	5.2
113.09607	0.9
114.02725	0.4
115.03880	0.5
119.03409	1.5
119.04915	0.4
121.02879	0.6
122.11775	0.3
123.04437	0.4
123.08066	1.6
124.01490	0.4
125.02379	0.9
127.07565	0.6
129.01935	0.3
131.03418	1.2
133.02870	0.3
134.03740	0.6
135.04338	0.4
137.02370	4.0
139.11229	2.7
140.15089	0.3
141.12785	0.4
143.03435	1.2
145.02975	0.4
149.04465	2.2
149.06000	0.6
149.63818	0.4
157.12210	1.7
161.04501	1.3
162.03201	0.4
163.03886	0.6
169.06511	0.4
171.10191	0.8
183.04440	0.4
185.11790	12.1
186.12071	0.5
187.11143	0.4
191.05522	0.4
197.06070	1.7
198.06839	3.4
199.13506	0.3
205.07124	0.8
208.05487	0.4
209.05884	0.4
214.12106	1.3
215.12830	1.0
223.13475	0.4
224.50069	0.4
225.05571	26.8
226.06316	14.0
227.06720	1.6
237.15082	0.5
239.07188	0.8
240.04324	0.4
240.07968	0.8
241.08722	100.0
242.09053	8.8
289.18207	0.8
291.19684	3.4
301.10895	0.7
307.19250	0.5
307.22717	0.8
309.20804	5.4
310.21182	0.7
325.20062	0.7
325.23898	10.6
326.24268	0.8
327.21823	61.6
328.22153	6.7
333.20847	0.6
351.21780	0.7
369.22906	2.6
385.13043	1.1
386.13525	0.5
387.23965	76.0
388.24304	8.8
403.13934	2.6
404.14413	0.6
417.20688	2.5
429.25165	2.4
430.25220	0.6
463.25528	0.5
505.26761	3.7
549.19879	45.4
549.29205	28.9
550.20215	7.9
550.29541	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	549.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14926	0.3
54.57680	0.4
55.01756	0.7
57.03307	1.4
58.00459	0.8
59.01267	41.4
60.01572	0.7
61.98435	0.3
61.98713	5.0
69.03326	0.5
69.70232	1.8
69.70656	0.8
70.42202	0.4
71.01270	11.0
71.04875	0.4
72.99176	1.5
73.02843	2.9
73.84382	0.4
75.00739	1.4
81.03370	0.4
83.01271	2.1
83.04875	0.4
85.02843	5.8
87.00783	2.4
87.87350	0.3
88.83502	0.5
88.98663	0.6
89.02334	4.7
93.03309	0.8
95.01283	1.2
95.04918	1.2
96.95893	1.3
97.06480	2.1
99.00742	1.5
101.01711	0.5
101.02349	6.6
101.05988	0.5
109.02825	0.8
111.08081	0.8
112.01535	0.7
113.02370	5.3
113.09620	0.5
119.03394	1.2
121.02885	2.2
122.03690	2.0
123.04420	0.8
123.08073	2.6
125.02341	0.9
127.07504	0.4
131.03418	0.8
134.03658	0.6
135.04382	0.6
137.02391	1.9
139.07458	0.4
139.11235	3.5
141.09119	0.4
141.12706	0.5
143.03438	0.6
149.04752	0.5
149.05991	3.2
153.12842	0.4
154.02596	0.5
154.32492	0.3
157.12244	1.5
161.04468	1.3
163.07565	0.6
165.05505	1.3
167.03336	0.4
169.12206	0.6
179.05573	0.6
183.13846	0.9
185.11803	14.9
186.12088	0.9
193.05043	0.6
195.08411	0.5
213.11366	0.7
214.12059	1.6
215.12790	1.7
279.06650	0.4
289.18344	0.7
291.19733	4.4
305.21210	0.7
307.19244	0.6
307.22705	0.4
309.11313	0.5
309.20819	2.8
323.22440	0.6
325.20117	0.7
325.23926	13.3
326.24213	1.4
327.21835	63.7
328.22202	6.9
328.51563	0.4
330.14774	2.3
331.15353	0.5
345.17154	6.9
346.17380	0.9
369.23111	1.8
370.23502	0.5
387.23984	100.0
388.24316	12.6
393.23001	0.6
429.25165	4.5
430.25345	0.8
447.26157	0.7
489.21405	16.9
489.26740	0.8
490.21829	3.0
507.22540	6.9
508.22717	1.2
549.29346	12.3
550.29919	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	549.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
58.00481	0.3
59.01266	22.3
61.98704	0.6
62.18042	0.2
67.11382	0.3
69.03331	0.4
70.74017	0.6
70.74417	0.5
71.01274	4.8
71.04891	0.3
72.99197	0.7
73.02843	1.4
75.00758	0.4
83.01267	1.1
85.02840	2.6
87.00771	0.5
88.83512	0.3
88.98671	0.3
89.02326	2.0
93.03349	0.6
95.01288	0.7
96.95937	0.3
97.06509	2.0
99.00776	0.4
101.02372	2.1
101.06039	0.3
104.25780	0.3
107.01275	0.6
113.02345	2.6
113.09616	0.5
119.03398	0.7
123.08087	2.6
125.02334	0.3
127.07510	0.6
131.03439	0.4
137.02368	0.3
137.09669	0.6
139.11208	2.8
141.09128	0.6
141.12790	0.4
145.06476	0.7
149.57237	0.3
151.00302	1.4
151.07587	0.3
152.08372	0.5
155.10751	0.4
157.12299	1.9
161.04463	0.7
169.06528	0.4
169.12349	0.5
171.04407	0.5
175.03914	0.4
179.05515	0.3
179.75439	0.3
183.13875	0.5
185.11798	14.0
186.12109	0.8
211.07709	0.9
213.05493	0.7
213.11259	0.4
214.12068	2.0
228.13716	0.4
255.06650	17.3
256.07007	1.6
259.59402	0.3
279.06714	0.5
289.18176	0.8
289.21661	0.3
291.19739	4.8
292.20068	0.5
297.07736	0.4
305.21307	0.6
307.19427	0.4
308.37473	0.3
309.20731	4.1
323.22137	0.6
325.23895	14.8
326.24329	1.6
327.21826	70.0
328.22192	6.5
333.20560	0.4
345.17233	0.4
369.22858	2.2
370.23416	0.4
387.23962	100.0
388.24313	11.7
409.06165	0.3
429.25049	4.0
489.27127	0.4
507.92068	0.3
549.16687	1.5
549.29291	12.6
550.29681	1.9
558.37817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.6
57.03329	6.0
58.00477	1.4
59.01265	77.6
60.01598	1.9
61.98730	7.6
69.85318	5.6
71.01270	59.5
72.99207	2.4
73.02833	22.9
75.00753	2.8
79.74653	1.3
80.17921	1.4
83.01274	11.1
85.02843	31.5
85.99989	1.3
87.00768	3.3
89.02344	16.6
89.70568	1.3
90.73666	1.3
91.69208	1.4
95.01292	2.9
95.17322	1.3
96.95917	4.5
97.02853	1.7
97.25303	1.2
99.00779	10.6
101.02347	54.1
113.02363	23.0
119.03427	3.8
125.02332	1.8
129.01787	1.8
131.03444	7.6
135.04369	1.5
149.04485	2.4
159.02954	3.3
161.04503	20.6
164.62325	1.3
173.05948	1.9
191.01906	1.4
216.07913	1.6
233.06676	1.7
258.87543	1.5
318.48767	1.4
341.17636	4.3
357.22900	100.0
358.23148	11.6
401.21628	2.4
489.27209	73.4
489.34006	3.5
490.27371	12.0
513.26996	3.9
549.26080	9.8
550.26678	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	4.5
57.03337	3.7
57.31293	0.7
58.00476	1.3
59.01268	47.4
61.98717	5.0
71.01271	52.3
71.11408	1.5
72.99193	3.3
73.02442	1.1
73.02835	16.2
75.00751	1.4
83.01281	9.9
84.96988	0.8
85.02847	25.2
85.99987	1.2
87.00762	3.0
87.85635	0.7
89.02348	10.9
90.02689	0.7
95.01268	3.6
96.95901	1.0
97.02856	2.2
99.00779	8.3
99.04410	0.8
101.02348	41.7
102.02676	1.2
105.21378	0.7
111.00780	0.9
113.02361	21.6
119.03426	2.7
123.78291	0.7
125.02353	1.6
129.01860	1.1
131.03421	2.0
135.96999	0.7
143.03453	2.2
149.04492	1.2
159.02917	3.0
161.04494	15.6
179.05585	1.3
205.03482	0.9
315.51062	0.7
351.54709	0.7
357.22906	100.0
358.23233	9.1
382.89420	0.7
401.21939	3.2
452.72354	0.8
489.27121	57.7
490.27515	8.6
513.27032	1.0
549.24854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50610	0.6
57.03342	1.6
59.01263	8.6
61.98717	8.9
68.66778	0.7
71.01277	8.8
71.60854	0.8
72.99197	1.4
73.02814	0.9
75.00749	1.1
84.02035	0.6
85.02350	1.4
85.02845	22.0
89.02345	4.2
89.03857	1.1
95.03098	0.7
96.95916	2.9
96.99199	0.9
97.63504	0.7
101.02338	2.5
106.24580	0.7
108.02081	2.8
109.02870	1.6
110.93940	0.7
111.00801	1.1
113.02365	1.9
115.00270	1.2
117.03375	3.1
119.03397	1.1
119.04914	1.1
121.02869	1.1
122.03579	0.7
123.04434	2.7
129.01862	1.9
133.02878	1.1
134.03670	62.8
135.03978	2.0
137.02373	2.1
139.03903	0.7
147.03003	3.3
147.04471	7.8
148.05252	12.4
149.06038	10.4
157.69727	0.7
158.03700	0.9
159.04427	1.8
161.06010	3.9
162.06810	1.1
163.03946	1.2
178.02687	9.7
179.05576	0.9
191.01971	12.0
192.04568	0.8
193.05045	32.9
194.05373	2.0
207.06612	12.5
208.07010	1.1
209.03040	16.9
213.05547	3.5
223.03976	1.2
240.04189	0.8
241.05101	20.2
242.05507	1.5
251.07043	1.1
255.06599	3.3
256.07449	16.1
257.07773	1.8
267.06714	1.6
268.07346	1.6
269.08261	2.4
270.09055	4.3
271.09799	41.5
272.10120	4.0
283.09854	2.0
284.10464	4.3
291.03595	2.6
295.09802	0.9
297.11380	2.2
299.12967	9.1
300.13300	1.3
343.11923	6.5
357.09766	7.1
358.10272	1.4
387.16608	1.6
433.15125	1.9
549.16235	100.0
550.16449	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03340	2.0
58.00475	0.2
59.01262	4.0
61.98714	2.0
65.00222	0.2
67.32397	0.2
68.99703	0.3
69.83496	1.0
70.90171	0.2
71.01268	6.1
72.99195	0.8
73.02838	0.5
74.02358	0.2
75.00762	0.5
76.78973	0.2
83.01274	0.6
84.02068	0.3
85.02843	17.4
85.44947	0.2
86.03175	0.4
87.00775	0.6
89.02342	2.2
91.01781	0.8
92.83820	0.2
93.03366	0.5
96.95915	1.2
96.99220	3.2
98.19823	0.2
99.00781	0.4
101.02350	1.8
108.02080	6.0
109.02142	0.4
109.02866	6.6
109.03614	0.3
110.03150	0.2
111.00806	0.3
113.02348	1.2
115.00294	2.1
117.03397	0.9
119.03455	0.3
119.04951	1.2
121.02877	1.3
122.03648	0.5
123.00777	0.3
123.04438	4.1
124.01599	0.6
124.04760	0.2
125.02419	0.3
129.01880	1.4
129.03387	0.3
131.04929	0.5
132.02121	0.3
133.01335	0.7
133.02905	1.2
134.03668	14.3
135.04356	0.6
136.01573	0.4
136.05200	0.2
137.02428	1.5
137.05998	0.2
138.03122	0.2
139.03911	0.4
139.07579	0.3
143.04984	0.3
145.02882	2.5
146.03676	7.2
147.02921	1.5
147.04440	8.5
148.01582	0.4
148.05254	7.0
149.02321	0.3
149.06038	2.8
150.03110	0.5
151.03897	0.5
153.05533	0.7
158.03676	2.7
159.04462	5.1
160.01576	0.8
160.05246	1.5
161.02348	0.6
161.04521	0.6
161.06018	3.4
162.03252	0.5
162.06731	0.7
163.03952	1.8
163.11217	0.4
164.04709	0.8
166.06323	0.3
173.00873	0.4
173.02376	0.6
173.06006	1.4
174.03221	1.2
175.03970	1.3
175.07600	0.8
177.01860	0.3
177.05525	0.2
178.02698	2.6
179.03125	0.2
179.05510	0.3
181.08652	0.2
185.05937	0.2
186.03230	1.1
187.03900	0.6
188.04726	0.3
189.05510	2.2
191.01955	8.1
192.02493	0.2
192.04262	0.7
193.05040	7.8
193.06779	0.4
194.05371	0.6
195.04495	0.3
196.05052	0.2
197.06117	0.3
201.05563	1.8
201.85744	0.2
202.05769	0.2
207.06606	3.6
209.03026	12.0
210.03363	0.4
211.07616	0.2
212.04916	0.2
213.05568	1.7
214.05905	0.2
217.01353	0.4
218.02171	0.3
221.06216	0.4
223.04080	0.2
224.04686	0.4
225.05585	0.2
226.06602	0.2
230.02359	0.2
232.03767	0.6
233.04459	0.4
237.05547	0.5
238.06299	0.5
239.07140	1.7
240.04247	0.7
240.07735	0.4
241.05083	9.6
241.08902	0.4
242.05470	1.0
245.04517	0.9
249.05693	0.9
250.06389	1.9
251.07104	1.3
252.07913	1.5
253.05136	0.5
253.08595	0.7
254.05833	0.4
254.09531	0.3
255.06664	1.6
256.07458	6.3
257.07788	0.7
260.61075	0.2
264.07962	0.2
265.05200	0.9
265.08743	1.1
266.05896	3.7
267.06665	10.9
268.07431	4.5
269.08191	4.7
270.08917	1.7
271.09814	7.9
272.06940	1.1
272.10138	0.9
277.05197	0.7
278.05792	0.6
279.06497	0.4
280.07431	1.8
281.08267	4.4
282.09027	11.2
283.09766	6.9
284.07288	0.3
284.10553	6.3
285.10965	0.3
287.09494	0.3
293.04993	0.3
293.08249	1.1
294.05408	2.0
294.08597	0.3
295.06073	2.1
295.09821	1.5
296.06540	0.2
296.10452	0.3
297.11374	13.5
298.08463	0.5
298.11774	2.0
299.09235	0.6
299.12921	2.9
301.10889	0.2
307.09894	0.2
309.04547	0.2
309.07751	5.2
310.08499	6.2
311.08945	0.5
313.10812	1.6
323.09152	0.2
324.10040	2.0
325.10849	7.8
326.11191	0.8
339.08762	0.3
353.06757	2.0
354.07321	0.4
357.09909	4.3
357.15210	0.3
358.10333	0.4
368.08920	1.1
369.09921	1.5
387.10965	0.8
433.15060	0.5
489.19836	0.8
531.15198	0.6
532.14880	0.2
549.16229	100.0
550.16577	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94301	0.7
55.01770	2.2
57.03337	12.9
58.73349	0.7
59.01265	16.9
61.82116	0.7
61.98709	2.0
66.18842	0.7
68.99687	0.8
69.47116	5.0
71.01271	13.8
72.99195	2.7
73.02817	1.9
75.00766	5.2
83.01283	3.5
84.02061	2.7
84.29007	0.6
85.02843	100.0
86.03159	2.3
87.00768	2.3
88.98725	0.6
89.02346	8.3
89.03810	0.8
91.01804	0.7
93.03357	2.7
95.01253	0.7
96.95937	3.9
96.99200	2.0
98.19809	1.5
99.00768	1.7
101.02352	5.1
103.00269	1.5
108.02084	0.8
109.02840	1.0
109.23184	0.7
111.00760	1.0
113.02368	3.9
115.00314	2.0
119.03429	2.1
119.04939	6.3
121.02859	1.2
123.04406	4.2
129.01866	13.2
131.03458	1.0
132.82028	0.7
133.01364	2.0
133.02884	1.2
134.03674	8.7
135.04509	0.9
143.04936	4.5
145.02873	1.2
146.03670	2.5
147.02924	16.7
147.04379	2.4
148.05261	1.4
149.06021	2.0
150.03117	1.2
151.03935	1.0
158.03688	1.5
159.04475	3.6
160.03932	1.0
161.04665	1.5
161.06007	1.3
163.02632	0.8
163.03993	4.2
163.11292	0.8
173.00868	2.3
173.06085	0.8
178.02638	1.5
179.05582	1.8
191.01950	55.3
192.02258	1.2
193.05099	5.1
209.03017	44.5
210.03319	0.8
226.06516	1.7
241.08775	1.8
242.05806	0.9
251.07118	7.8
252.07878	3.4
253.08821	2.1
254.09441	1.8
257.08145	1.0
267.06683	1.2
276.00125	0.8
279.06689	2.5
280.07468	6.2
291.03622	4.3
295.09796	5.6
299.09622	1.0
299.12808	1.0
309.82632	0.8
313.10800	1.7
324.06543	1.2
339.05133	1.3
339.08853	2.1
357.09860	54.7
358.10318	6.3
387.16653	1.6
484.82532	0.8
489.20157	0.7
528.73352	0.7
549.12964	3.8
549.22766	5.7
550.23053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.3
57.03331	1.3
59.01266	15.7
60.50744	0.5
61.98718	0.8
71.01270	10.2
71.62789	0.5
72.99197	1.7
73.02830	2.4
74.02380	0.6
75.00754	1.7
79.01797	0.8
79.28874	0.5
83.01280	2.3
85.02843	11.5
87.00751	1.5
89.02341	4.4
93.03339	0.5
95.01282	0.7
96.95918	6.7
97.02850	0.6
98.02362	0.7
99.00783	1.1
101.02347	6.7
102.67162	0.6
106.31303	0.6
109.02866	2.9
110.08640	0.6
111.00781	1.0
111.04465	0.5
113.02387	3.9
116.47499	0.5
117.03391	0.5
119.03432	1.8
121.02864	6.7
123.00809	0.7
123.04461	1.2
125.02326	1.5
125.15614	0.5
129.01865	1.2
133.02869	11.9
133.03831	1.0
134.03618	2.3
134.04552	0.6
135.04468	2.7
138.06750	0.6
145.02921	0.5
147.04442	1.1
149.02364	1.4
149.04506	1.0
149.05991	1.0
149.23474	0.5
150.03134	0.6
151.03934	0.9
154.05959	0.6
159.02988	0.8
159.04446	1.2
161.02332	1.2
161.04503	2.5
161.05899	0.8
163.03926	2.8
165.01836	0.6
165.05544	0.6
173.02373	0.8
173.05888	0.7
175.03984	4.1
177.01849	2.9
177.05524	1.7
179.03445	1.8
179.05585	0.9
187.03995	0.8
189.01837	0.9
190.02702	0.5
191.01886	2.8
191.03442	1.0
193.05037	0.9
201.01894	1.8
201.05527	0.7
202.02477	0.6
203.03474	1.3
205.01398	1.3
205.05110	0.9
207.03011	0.6
209.02986	5.9
211.04045	0.7
213.05551	0.7
217.05046	1.2
219.03056	1.3
221.04485	0.6
225.05602	1.1
227.03526	0.5
229.05019	0.6
233.04503	0.9
241.04991	1.5
245.04521	1.1
253.05092	1.2
254.05643	0.6
255.02834	0.6
255.06688	1.1
257.04477	0.8
265.05170	0.6
267.06689	1.7
268.07428	0.7
269.04556	1.2
270.05511	0.7
281.04599	0.8
282.05383	0.8
283.06281	2.4
283.09393	0.7
284.03418	0.9
284.06876	0.7
285.04001	1.4
285.08252	0.5
293.04651	0.6
295.06293	1.0
296.06937	0.6
297.03906	3.6
298.04874	10.6
299.05597	5.4
309.04227	1.2
310.04962	1.1
311.05692	8.4
312.06458	10.5
313.03534	1.6
313.07166	9.6
313.10516	0.6
314.07593	1.3
323.05695	2.2
325.07254	2.2
326.04517	1.2
327.05121	7.0
327.08673	1.0
328.05588	0.7
330.03979	0.7
338.04083	0.6
339.05173	14.5
340.05457	1.6
341.06662	5.9
344.05228	0.8
351.05054	1.3
353.06799	4.5
354.07184	0.8
357.06076	1.8
357.09964	0.9
369.06226	39.8
370.06543	4.9
371.07718	1.2
381.06238	8.3
382.06607	0.9
383.07776	0.9
387.10773	1.3
387.20264	1.8
399.07297	36.8
400.07571	4.5
405.06662	0.8
411.07251	5.0
416.07578	1.2
417.17752	0.7
423.07416	1.9
429.08334	7.2
430.08752	1.8
435.07410	0.8
441.08383	6.0
442.08621	1.3
453.08524	1.3
459.09430	32.7
460.09869	3.9
471.09332	1.6
489.10516	8.4
490.10773	1.5
513.10773	0.6
531.11633	3.0
549.12610	100.0
549.25049	9.9
550.12781	13.9
550.25366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17562	0.5
57.03338	1.2
59.01262	7.0
61.98701	0.9
69.03339	0.6
69.28814	2.1
69.29230	4.5
71.01270	5.5
72.99203	1.2
73.02833	1.4
75.00757	1.6
79.01775	1.3
85.02844	9.4
87.00771	1.5
89.02338	2.1
92.83994	0.6
93.03350	1.7
95.01292	1.7
96.95889	0.6
97.02840	0.7
101.02333	1.9
107.01268	1.0
107.04881	0.7
109.02853	1.8
111.00761	1.2
111.04446	1.0
113.02333	1.6
117.03378	4.5
119.04958	1.7
121.02869	1.6
123.00779	0.9
123.04430	1.4
125.02371	1.6
128.03491	1.2
129.01848	1.2
132.21049	0.6
133.02890	3.0
134.03613	0.7
135.00772	1.1
135.04434	1.8
135.22644	0.6
137.02405	4.1
139.03943	0.8
145.02794	0.6
147.02936	1.0
147.04393	1.0
149.02402	2.7
149.04544	0.7
151.00296	2.5
151.03931	1.7
152.01053	0.6
159.04404	1.4
161.02432	3.5
163.00377	1.4
163.03940	2.0
164.00987	1.1
165.01907	3.7
165.05537	0.8
167.03465	1.2
168.38585	0.6
171.04417	0.7
175.02509	0.9
175.03990	1.6
177.01904	4.7
177.04089	1.1
177.05492	1.0
178.02493	0.7
178.99791	0.9
179.03459	2.3
179.05457	0.8
180.00522	0.8
181.01512	0.6
187.03911	0.8
189.01904	0.9
189.05583	0.9
191.01915	3.3
191.03461	2.2
193.01384	1.2
195.02969	1.4
197.05963	1.0
201.01939	0.6
201.05736	0.7
203.03587	1.4
204.04176	0.8
205.01447	1.5
205.05014	0.9
206.02074	0.9
207.03023	3.8
209.02988	7.6
209.04680	0.8
213.05460	1.0
215.03505	0.6
219.02986	3.6
220.03711	1.6
221.04529	0.7
222.65604	0.6
225.05666	0.7
227.07079	0.7
231.02907	1.1
233.04602	1.3
235.02429	1.4
237.04031	1.0
239.07233	0.7
241.05070	2.3
242.05827	0.6
243.02939	0.6
245.04480	0.7
247.02478	1.3
249.03867	2.7
253.05054	2.2
255.06656	1.5
257.04395	0.7
261.04086	1.0
263.01953	0.8
265.03491	0.7
267.06729	0.9
269.04544	3.4
270.05270	1.0
279.05093	0.8
281.04590	5.5
282.05084	1.3
283.06247	3.0
284.03397	1.4
284.06464	1.1
285.04129	5.0
293.04474	0.9
294.05145	0.8
295.06192	2.9
297.03601	4.1
297.06641	2.1
298.04858	18.8
299.05527	5.1
309.04089	1.1
310.04953	0.7
311.05560	4.4
312.03174	0.6
312.06406	3.4
313.03568	15.1
313.07175	3.5
313.10440	0.8
314.04047	1.8
320.09024	0.9
323.05707	1.9
325.03534	1.1
325.07065	1.3
326.04303	6.5
327.05075	10.7
328.05402	1.4
330.03915	2.3
335.05527	0.9
339.05029	6.5
340.05530	1.1
341.06735	3.2
351.05188	1.5
353.06784	2.3
356.05405	1.2
357.06085	2.6
357.10049	0.6
369.06213	17.0
370.06616	1.5
371.07800	1.1
381.06232	2.7
383.07684	1.0
385.08661	0.7
387.10071	1.3
395.07742	0.9
399.07300	15.5
400.07486	1.3
411.07150	1.8
416.07581	15.2
417.08087	4.7
429.08337	6.2
430.08453	0.7
441.08417	2.8
443.09790	0.8
453.08160	1.1
459.09424	45.4
460.09872	6.0
471.09378	1.0
489.10495	6.8
490.10825	1.3
531.11646	3.6
533.12927	0.8
549.12610	100.0
550.13031	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	549.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03338	9.3
58.00483	0.7
59.01266	11.6
61.98712	1.8
67.50158	0.4
68.99694	0.8
71.01272	9.8
71.09033	1.3
72.99182	2.6
73.02840	1.0
75.00762	3.6
77.74258	0.5
83.01277	1.8
84.02059	2.0
85.02843	70.7
86.03176	1.1
87.00760	3.0
89.02336	7.2
91.01797	1.8
93.03336	3.3
95.01237	0.6
96.95903	3.3
96.99221	3.9
99.00776	0.5
101.02357	3.7
103.00269	1.7
108.02074	1.1
109.02828	1.1
109.42593	0.5
111.00778	1.2
113.02333	1.7
115.00278	2.7
116.08651	0.5
117.03356	1.0
119.03421	1.5
119.04942	6.1
121.02856	0.7
123.04426	5.0
129.01865	12.5
131.04924	0.9
133.02859	1.6
134.03658	7.3
135.04494	0.6
143.04964	6.1
145.02904	1.4
146.03667	3.2
147.02925	10.6
147.04405	2.2
148.01576	0.6
149.06056	1.0
150.03172	0.6
158.03691	2.3
159.03273	0.6
159.04454	4.4
160.01569	0.6
161.04694	0.6
161.06050	1.8
163.03932	4.3
168.68588	0.5
169.81902	0.5
173.00919	1.4
173.06055	1.8
175.03943	0.7
176.75089	0.5
178.02647	1.1
179.05528	1.6
187.03902	0.6
191.01941	62.0
192.02229	1.6
193.05061	3.3
209.03003	22.9
210.03342	1.1
213.43962	0.5
226.06367	2.4
235.07834	0.8
241.08740	2.6
242.05836	0.9
250.06458	0.7
251.07166	10.3
252.07932	4.0
253.08658	2.3
254.09523	1.4
264.69604	0.5
265.08694	1.1
267.10297	0.8
279.06628	2.6
280.07465	8.9
281.07816	1.2
291.03711	2.4
295.09796	9.2
296.10098	0.7
313.10764	0.6
324.06476	1.4
339.05200	0.7
339.08859	3.1
357.09860	100.0
358.10208	11.3
469.34119	0.6
531.11829	0.6
549.12946	5.9
549.22504	5.0
550.22247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05249	0.4
59.01269	3.0
63.02279	0.7
65.00197	0.7
71.01273	1.6
73.02831	0.5
83.01277	0.6
85.02834	2.1
87.00739	0.5
89.02347	0.8
93.03344	0.4
96.95908	4.2
98.95499	2.4
98.96378	0.5
99.92503	1.4
101.02361	1.0
107.01293	2.4
108.02071	1.9
109.02862	1.2
111.00802	0.7
113.02367	0.6
116.92782	3.7
121.02851	2.3
124.01606	0.5
125.02361	0.4
135.00819	1.2
148.01607	1.4
149.04456	0.6
150.03166	0.5
151.00317	10.2
152.00984	0.4
159.04428	0.4
163.00352	2.3
164.01129	0.6
164.68176	0.4
178.99829	5.4
183.04446	0.5
187.03883	0.4
191.01855	0.5
199.04021	0.8
201.05562	0.5
209.02901	0.7
211.04001	1.2
216.04292	0.7
226.02757	1.5
227.03476	3.3
229.04987	1.2
243.03023	9.8
244.03304	0.6
245.04565	0.9
254.02318	2.2
255.03036	26.7
256.03348	2.3
271.02539	58.3
272.02982	6.0
273.04022	1.1
283.02600	1.1
299.01971	1.5
299.04916	0.5
300.02820	100.0
301.03516	44.2
302.03891	3.2
373.22449	0.5
463.09076	4.2
464.09464	0.6
505.10007	76.9
506.10327	12.9
549.13391	2.4
549.22247	1.6
549.29559	0.7
550.13000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
67.31194	0.2
68.89258	0.2
70.64828	0.2
70.65187	0.7
71.01253	0.3
77.03843	1.7
88.64878	0.2
93.03366	0.4
117.85918	0.2
121.02872	100.0
122.03214	4.1
137.02376	0.2
147.04459	0.5
154.20175	0.2
165.01886	49.8
166.02211	2.1
173.06068	0.7
180.05740	0.8
181.06548	2.6
197.06064	2.8
207.04445	0.8
207.08105	0.4
216.07907	0.4
223.03960	0.3
225.05573	1.5
257.09714	0.4
285.09369	0.4
301.08643	0.2
313.07336	1.2
341.17590	0.6
342.17950	0.2
357.06207	0.9
373.11078	0.2
383.07578	0.4
417.09784	1.9
461.13177	0.2
505.11646	1.6
506.11606	0.3
549.10529	31.9
549.25122	2.1
549.75690	1.6
550.10883	5.6
550.24365	0.3
567.29321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
56.83888	0.1
57.03339	2.1
58.00238	0.1
58.00488	0.8
59.01266	100.0
60.01600	0.9
61.98720	0.4
67.01799	0.1
68.99712	0.1
69.03337	0.5
71.01271	17.0
71.04910	1.1
71.61723	0.1
71.62067	0.1
72.01625	0.2
72.99208	0.6
73.02839	4.8
75.00771	0.3
80.38239	0.1
81.03352	0.2
83.01279	2.8
83.04930	0.1
84.01624	0.1
84.02084	0.2
85.02844	7.4
85.06509	0.1
86.03191	0.2
87.00771	1.1
87.04404	0.1
89.02339	3.0
92.47443	0.1
95.01287	1.6
96.95935	0.1
97.02856	0.9
97.06490	0.2
99.00784	2.0
99.04432	0.1
101.02348	10.6
102.02686	0.3
111.00797	0.4
112.01625	0.3
113.02361	9.5
113.09621	0.1
114.02702	0.2
115.03933	0.2
119.03400	0.7
121.02841	0.1
123.08107	0.1
124.01588	0.2
125.02369	1.4
125.12422	0.1
126.02731	0.1
127.11195	0.1
129.01855	0.4
131.03447	0.2
139.00237	0.1
141.01846	0.1
142.02716	0.1
143.03438	2.1
143.09668	0.1
143.10660	0.3
149.04533	0.1
149.06027	0.1
149.13309	0.2
157.12282	0.5
159.02945	1.1
161.04501	8.6
162.04906	0.3
163.14726	0.1
171.13852	0.2
179.05592	0.2
205.03502	0.3
209.19133	0.1
211.17062	0.1
213.18427	0.1
231.21234	0.1
237.22318	0.5
251.23897	0.2
253.21812	0.1
255.23289	0.1
265.25406	0.1
267.23224	0.2
277.21475	0.1
279.23383	0.2
281.25015	0.1
283.26532	0.1
293.24899	0.1
295.26373	0.2
297.24426	0.1
307.26416	0.1
311.22672	0.1
311.26013	0.2
313.27533	1.5
314.27844	0.1
325.27554	2.0
326.27936	0.2
327.29095	0.6
329.27145	0.2
340.26227	0.1
341.27048	0.7
343.28586	8.0
344.28915	0.7
349.27576	0.2
351.29178	0.1
353.26801	0.1
355.28668	0.2
357.30252	0.1
363.28983	0.1
367.28619	1.0
368.28970	0.1
375.28943	0.1
377.62509	0.1
379.28497	0.2
381.30334	0.1
382.78024	0.1
385.29749	1.3
395.32330	0.1
397.29367	0.1
409.29886	0.3
413.28940	0.1
421.24088	0.1
421.29443	0.2
423.31863	0.1
427.30859	0.1
439.30722	0.6
440.31372	0.1
451.30591	0.3
457.31784	0.2
469.31848	0.6
487.32864	26.0
488.33209	3.8
505.33942	9.3
506.34286	1.3
547.28021	0.1
547.35229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03337	2.5
58.00478	0.8
59.01264	100.0
60.01595	1.0
61.98719	1.3
67.01773	0.1
68.99712	0.1
69.03349	0.6
71.01270	14.8
71.04906	0.9
71.18012	0.2
72.01596	0.2
72.99199	0.5
73.02834	4.2
75.00762	0.3
81.03348	0.2
83.01276	2.4
84.02082	0.1
84.69675	0.1
85.02843	7.3
85.06474	0.9
85.47418	0.1
87.00775	1.1
89.02336	2.4
93.03323	0.2
95.01287	1.3
96.95894	0.1
97.02850	0.7
99.00782	2.0
99.04422	0.1
101.02345	9.3
101.09599	0.1
102.02687	0.2
109.02917	0.1
111.00807	0.5
112.01592	0.3
113.02356	8.4
114.02702	0.2
115.03937	0.2
119.03394	0.5
121.10141	0.1
121.23526	0.1
124.01600	0.3
125.02366	1.0
125.09609	0.1
129.01846	0.3
131.03387	0.2
136.01616	0.2
137.02345	0.2
141.01823	0.1
142.02673	0.1
143.03419	1.5
143.10716	2.5
144.11044	0.2
149.04434	0.1
151.03920	0.3
159.02931	1.1
161.04497	7.3
162.04825	0.2
163.14832	0.2
169.15941	0.1
179.05513	0.2
181.15985	0.2
191.06996	0.1
205.03473	0.3
206.27477	0.1
211.17004	0.8
213.18547	0.1
225.18567	0.1
237.22252	0.3
241.18266	0.1
245.12994	0.1
267.23413	0.1
279.23190	0.1
283.26501	0.3
295.26471	0.2
297.24417	0.3
307.26468	0.1
311.25989	0.2
313.27533	1.0
313.33917	0.1
325.27518	1.6
326.27802	0.2
327.29114	0.5
328.29565	0.1
341.27036	0.3
343.15491	0.5
343.28583	6.5
344.15927	0.1
344.28879	0.6
349.27405	0.2
353.26852	0.1
355.28607	0.1
363.28537	0.1
367.28674	0.5
375.24133	0.1
379.28500	0.2
385.29721	0.7
386.29819	0.1
409.29593	0.2
421.29840	0.1
439.30640	0.6
440.31210	0.1
451.30566	0.2
457.32001	0.4
469.31708	0.6
487.32858	29.7
488.33200	4.3
505.33920	10.0
506.34290	1.3
547.28754	0.1
547.35162	0.9
548.35693	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
55.06232	0.1
55.37301	0.1
57.03333	1.2
57.57626	0.1
58.00480	1.0
58.00730	0.1
59.01265	100.0
60.01601	1.1
61.98714	0.6
69.03341	0.4
69.19504	0.1
71.01271	20.5
71.04917	0.3
71.62674	0.2
72.01611	0.2
72.99191	1.1
73.02837	5.3
75.00771	0.4
77.76888	0.1
81.03349	0.3
83.01278	2.5
85.02847	7.0
86.01485	0.1
87.00777	1.2
87.04401	0.9
89.02338	9.0
93.07001	0.6
95.01286	1.7
96.95870	0.2
97.02834	0.5
97.06492	0.2
99.00176	0.2
99.00784	3.1
99.08031	0.4
101.02347	13.2
102.02670	0.3
109.06474	0.1
111.00793	0.2
111.08073	1.7
112.01540	0.2
113.02357	13.2
113.67553	0.1
114.02686	0.4
119.03419	3.4
123.04322	0.2
123.08047	0.3
125.02361	0.8
125.09636	0.1
127.07526	0.2
127.54967	0.1
129.01854	0.2
129.09096	0.2
131.03459	0.8
135.08066	0.3
138.06741	0.1
143.03456	1.9
143.72180	0.1
148.05238	5.3
149.04408	0.4
149.05626	0.4
153.09109	0.2
159.02956	0.9
161.04506	8.8
163.07599	3.4
164.07901	0.2
173.18671	0.1
178.04619	0.4
179.05557	1.7
205.03412	0.2
210.04225	0.1
211.17052	0.6
213.16684	0.3
213.18571	3.6
214.18773	0.2
279.23087	0.2
301.12329	0.2
311.22131	0.2
311.25745	0.3
313.27588	0.7
323.19601	0.1
325.27625	0.8
327.28784	0.5
341.26572	0.4
343.28580	4.7
344.28479	0.5
355.21149	0.2
367.28574	1.0
368.28653	0.2
385.29083	0.4
409.29498	0.7
410.29849	0.2
439.30341	0.2
469.31061	0.2
487.32849	12.7
488.33246	2.1
505.33911	5.0
506.34567	0.9
547.34375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
56.75406	0.2
57.03341	1.4
58.00492	0.6
59.01265	100.0
60.01604	1.4
61.98716	0.6
69.03362	0.3
70.98326	0.2
70.98684	0.4
71.01272	13.8
71.04912	0.5
72.01616	0.3
72.99197	0.5
73.02432	0.1
73.02832	3.6
75.00758	0.2
82.03197	0.1
83.01273	2.0
85.02846	4.9
85.99945	0.2
86.03179	0.2
87.00788	0.8
87.04427	0.5
87.17418	0.1
89.02335	5.0
93.07018	0.7
95.01263	1.2
97.02856	0.7
99.00776	1.8
99.08128	0.2
101.02348	9.1
102.02689	0.2
111.00810	0.2
111.08077	0.7
112.01637	0.2
113.02354	8.3
114.02702	0.4
115.03937	0.2
119.03411	2.0
125.02329	0.8
129.02014	0.2
131.03471	0.6
135.08127	0.3
143.03423	1.4
143.10672	0.2
149.04507	0.4
159.02960	0.7
161.04503	7.0
162.04848	0.2
171.10207	0.2
179.05534	1.0
197.15511	0.6
205.03499	0.2
213.18559	1.8
214.19142	0.2
231.55356	0.2
313.27759	0.5
325.27588	0.5
327.29068	0.5
341.26974	0.4
343.28583	4.0
344.29016	0.6
348.86215	0.2
357.22900	0.6
367.28598	0.9
375.24088	1.2
385.29816	0.4
409.29688	0.4
422.37088	0.2
439.30698	0.3
451.31030	0.2
469.31805	0.3
487.32831	17.0
488.33142	3.1
505.33905	6.8
506.34109	1.2
547.24664	0.4
547.35321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64056	0.4
55.01773	2.1
57.03339	3.2
58.00491	1.2
59.01266	100.0
60.01595	0.9
61.98712	1.2
69.03346	0.9
70.06168	0.4
71.01271	41.6
71.04914	0.6
71.62441	0.6
72.01615	0.8
72.99203	2.2
73.02837	13.8
75.00793	0.9
75.60100	0.4
81.03361	0.5
83.01280	6.9
85.02844	20.0
86.00012	0.8
87.00791	1.7
89.02339	11.7
95.01290	2.7
97.02870	1.6
99.00786	6.1
99.04368	0.5
101.02348	34.9
102.02703	0.9
111.00813	1.5
113.02360	20.1
114.02721	0.5
119.03418	3.5
125.02357	2.2
127.93449	0.4
129.01915	0.9
131.03416	2.5
143.03418	2.8
149.04538	1.0
149.13365	0.6
157.12305	0.8
159.02914	2.5
161.04503	13.0
162.04857	0.6
179.05612	1.0
222.73840	0.5
263.16754	0.4
279.45685	0.4
293.09012	0.4
311.26233	0.5
325.27646	1.3
343.28610	4.2
349.27371	0.5
355.21329	39.8
356.21628	4.5
365.01614	0.4
367.28766	1.3
399.20529	0.8
439.30981	0.8
469.32178	0.5
487.25836	41.3
487.33133	30.5
488.26175	5.3
488.33487	3.2
505.33923	13.1
505.41174	0.6
506.34573	1.4
547.35455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32652	0.5
55.01773	0.8
57.03329	2.3
58.00479	1.0
59.01263	41.8
60.01593	0.9
61.98712	1.8
71.01269	20.1
71.54642	0.8
72.06299	0.4
72.99191	5.4
73.02824	3.0
73.87241	0.5
75.00761	31.3
76.01112	0.6
76.66801	0.5
81.68574	0.5
83.01270	1.1
85.02836	8.3
85.06499	0.5
87.00761	2.7
89.02335	18.9
95.01305	1.4
96.95899	4.9
97.02853	0.8
97.06488	0.5
98.95499	2.9
98.96370	0.5
99.00803	1.6
99.04397	2.9
101.02341	12.3
111.00786	1.1
113.02353	7.3
114.02647	0.7
115.00267	1.4
116.36438	0.5
117.01868	2.7
119.03413	5.2
119.04900	0.6
123.00795	0.5
124.07608	0.5
125.02349	1.1
129.01852	1.6
131.03426	2.1
135.02919	100.0
136.03267	2.4
143.03368	1.1
147.02969	0.9
148.68005	0.5
149.02548	0.7
149.04500	7.3
149.05765	0.8
161.04503	2.5
161.13326	6.9
163.07593	0.5
165.03987	1.7
175.02423	2.9
179.05566	3.9
187.11192	1.3
205.03551	0.6
205.12300	12.1
206.12654	0.7
223.13409	4.9
249.11346	11.6
250.11700	1.1
267.12381	2.6
268.03806	0.6
269.04675	2.0
297.04385	0.5
297.07681	0.8
323.10049	0.6
327.12732	0.7
353.06744	1.6
367.13828	3.3
383.07581	1.0
385.18759	1.5
399.16754	2.8
400.17279	0.6
401.18130	0.7
402.18378	1.1
403.18747	1.9
415.16113	2.2
429.17700	12.6
430.18124	1.4
445.19788	1.0
501.23233	1.0
547.20490	55.7
548.20874	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	547.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54387	1.2
56.82889	1.2
59.01265	20.0
60.92801	1.3
61.63022	1.4
61.98712	4.5
71.01270	7.0
71.62664	1.5
82.31023	1.4
83.01275	7.4
85.02847	2.1
89.02342	5.9
96.95904	6.5
99.00803	1.4
101.02337	3.6
108.02061	6.2
109.99973	1.9
111.00789	81.8
112.01151	2.6
113.02362	2.3
123.04445	15.9
126.40003	1.2
134.03650	5.8
138.01866	1.3
149.06044	5.1
159.04503	1.7
163.03996	1.8
164.04810	1.3
167.03438	2.0
173.05893	1.2
175.03946	2.0
176.03293	2.0
176.04747	26.7
177.05257	1.9
179.05695	1.8
188.04761	6.7
191.07126	37.1
192.07480	2.6
198.61386	1.3
203.07101	5.6
205.04831	1.4
218.05840	5.9
220.03720	2.4
221.08174	2.0
233.08247	14.4
235.06139	33.5
236.06567	2.8
245.08354	1.9
247.06154	2.5
251.05602	2.9
261.77646	1.5
263.09351	1.6
277.07336	1.7
281.10303	2.9
307.08301	14.4
317.67551	1.3
325.09344	60.5
326.09656	5.7
348.39795	1.2
348.84821	1.4
380.29449	1.5
397.11487	100.0
398.11743	11.8
427.12354	2.7
439.12390	1.5
487.14825	1.9
547.16882	1.5
548.20038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	22.1
61.98726	4.7
65.15376	1.3
70.25878	1.5
70.86559	4.9
71.01262	8.3
72.99222	1.9
73.02850	1.4
75.00768	1.6
82.29699	1.4
83.01273	10.1
85.02861	4.2
87.96529	1.3
89.02364	4.1
96.95923	6.6
99.00798	3.8
101.02362	2.7
108.02081	11.9
109.99990	1.8
111.00790	97.8
112.01162	2.9
113.02374	3.4
119.03468	2.1
121.02850	1.6
122.03725	1.5
123.04440	20.0
134.03682	8.7
141.96384	1.3
145.02896	1.7
147.04408	1.6
148.05261	3.8
149.02446	1.5
149.06050	6.6
150.03143	1.5
159.04485	2.9
161.04550	1.9
162.03191	2.4
163.04036	3.2
175.03969	5.2
176.04747	37.2
177.05434	4.5
188.04781	8.5
189.05540	1.8
191.07108	40.2
192.07472	3.9
193.05093	1.5
203.07162	7.3
205.05009	1.9
217.04971	2.0
218.05829	4.1
233.08232	12.4
234.05347	2.0
235.03769	2.6
235.06117	40.7
235.08392	2.3
236.06529	2.7
245.08255	3.2
247.06242	1.6
251.05620	4.9
263.09418	4.2
281.10458	2.2
289.07349	1.7
307.08374	16.0
325.09338	47.8
326.09723	5.6
349.13208	1.5
397.11469	100.0
398.11725	11.7
427.12494	3.2
487.14578	1.9
515.14227	3.1
547.16687	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	547.1472
Annotation	Cerarvensin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.10284	0.2
59.01262	1.9
61.98727	0.2
63.02282	1.4
63.30262	0.1
65.00229	0.6
71.01269	0.6
71.09812	0.4
73.02837	0.2
75.00747	0.2
81.55721	0.2
82.95315	0.4
83.01281	0.5
83.02409	0.3
85.02849	0.4
86.36533	0.2
87.04404	0.3
89.02352	0.3
93.03358	0.5
95.01270	0.2
101.02345	0.3
102.44326	0.1
107.01305	2.0
113.02334	0.2
117.03368	2.8
121.02868	0.2
135.04437	0.4
137.78821	0.2
143.40230	0.2
148.01596	0.2
149.02362	0.9
149.99629	0.3
151.00294	1.7
159.04449	1.1
160.04839	0.1
161.02440	0.8
169.01364	0.2
169.06512	0.3
171.04463	0.6
172.05235	0.4
179.03445	0.3
181.06526	0.5
183.04480	0.6
184.05128	0.2
195.04483	0.2
196.05307	0.5
197.06049	0.7
199.03976	0.3
200.04781	0.4
201.05537	0.6
211.03983	0.7
212.04659	0.4
213.05496	0.2
223.13385	0.2
224.04819	0.2
225.05537	1.2
227.03458	0.5
239.03532	1.8
240.04248	2.6
258.52829	0.2
267.03107	0.9
268.03824	33.9
269.04593	100.0
270.04944	7.0
281.04761	0.2
283.05988	0.3
311.05637	0.2
340.68689	0.2
341.06708	0.3
383.07712	1.0
401.08856	0.4
420.51773	0.2
503.21307	0.3
547.14679	61.2
548.15015	8.8
548.27527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1477
Annotation	Mollupentin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.95689	0.4
57.03326	1.5
58.00473	3.2
59.01265	42.3
60.01582	0.7
61.98721	1.2
65.85500	0.4
69.44702	1.1
69.45121	3.1
70.70458	0.4
71.01269	12.1
72.99193	2.6
73.02834	4.9
75.00754	1.3
79.01796	0.6
79.95625	0.8
85.02846	8.6
87.00774	1.1
88.98669	0.8
89.01820	0.8
89.02341	8.1
93.03359	0.7
96.95912	38.9
99.00758	1.0
101.02357	5.3
103.03902	2.1
109.02840	0.5
113.02363	1.2
115.00281	0.5
117.03361	6.1
119.03400	1.3
121.02822	0.5
129.01865	0.7
131.01295	0.9
131.03426	1.2
135.02974	1.2
135.04411	0.6
149.04501	1.2
150.03130	0.9
157.88199	0.5
159.04399	0.7
161.02426	2.3
163.00307	0.6
163.03967	1.0
173.02391	2.3
175.00311	5.4
175.02402	0.9
188.01102	0.5
191.03525	0.6
197.06163	0.6
205.12103	0.5
210.06915	0.7
223.13383	0.6
225.05644	0.6
237.05725	0.6
253.05081	1.2
254.05733	0.9
260.29865	0.5
265.05090	1.3
266.05811	1.0
268.03873	1.2
269.04605	10.8
270.04782	0.6
279.06628	1.0
281.04593	10.5
282.05405	22.5
283.06110	10.8
293.04623	53.2
294.04947	5.5
295.06137	5.0
296.06461	0.7
297.07581	0.6
306.05405	0.9
307.06229	0.6
308.03345	0.7
309.04025	1.3
309.07559	0.7
310.04785	1.4
311.05685	13.1
312.05969	1.2
314.04404	4.5
321.03912	0.6
322.04788	1.1
323.05658	9.5
324.06015	1.4
325.07254	1.1
331.99869	0.5
335.05667	4.4
336.06015	0.7
337.03659	1.1
337.07306	1.1
341.06726	11.5
342.07034	0.9
347.06116	0.6
353.06870	3.2
355.08328	0.7
365.06723	1.2
383.07797	53.5
384.08215	5.6
392.15613	0.6
401.08743	2.1
443.09821	0.6
457.11481	8.6
458.11679	1.6
487.14020	0.6
529.13068	1.1
547.14648	100.0
548.14948	16.5
548.23065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
55.69129	0.2
57.03342	1.6
58.00472	0.5
59.01265	100.0
60.01601	1.1
61.98720	2.4
67.01794	0.2
68.99639	0.2
69.03333	0.4
70.94797	0.4
71.01271	16.8
71.04916	0.6
72.01629	0.2
72.99208	0.8
73.02837	4.3
75.00785	0.5
77.43227	0.2
83.01276	2.6
85.02843	8.3
85.06538	0.2
86.00001	0.3
87.00787	1.1
87.04447	0.2
89.02341	4.1
95.01291	1.8
96.95931	0.3
97.02885	0.7
97.06527	0.4
99.00787	2.4
99.04404	0.2
101.02348	9.9
102.02700	0.2
109.06543	0.2
110.92516	0.1
111.00816	0.7
112.01604	0.3
113.02360	9.7
114.02736	0.3
115.03910	0.2
119.03421	1.3
121.10159	0.2
123.08057	0.2
124.01652	0.2
125.02369	1.1
125.09648	0.2
131.03452	0.5
143.03427	1.8
149.04529	0.3
159.02974	0.9
161.04510	5.4
161.05870	0.3
162.04866	0.3
171.10242	0.4
171.13820	0.2
179.05615	0.6
185.15404	0.2
205.03606	0.2
232.84845	0.2
251.20305	0.3
253.09483	0.4
281.25024	0.4
291.19751	0.5
293.25006	0.3
305.24994	0.5
309.20868	1.5
310.21182	0.2
311.26184	0.4
323.26080	0.5
329.19684	0.2
341.27008	2.2
342.27377	0.3
383.28726	0.2
395.24377	0.3
413.25458	0.8
414.25681	0.2
425.29340	0.3
437.29297	0.3
449.29199	1.1
455.30545	0.5
467.30228	2.5
468.30670	0.3
485.31302	19.1
486.31714	3.2
501.12320	0.2
503.32422	14.4
504.32629	2.2
545.24561	0.3
545.33777	1.3
546.34125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38367	0.2
57.03333	0.4
58.00482	1.4
59.01265	33.7
60.01593	0.3
70.94500	0.4
70.94836	0.5
71.01270	6.5
71.44848	0.2
72.99200	1.6
73.02841	2.9
76.94310	0.2
83.01291	0.3
85.02843	4.8
86.03223	0.2
89.02335	3.9
99.04401	0.3
101.02357	2.5
103.03916	1.8
113.02348	0.4
117.03362	6.1
119.03446	0.7
123.35607	0.3
131.01344	1.1
133.02864	0.3
135.04466	0.3
143.22107	0.2
149.02391	0.3
151.00325	0.3
159.04495	0.5
161.02415	1.2
163.00304	0.6
163.03970	0.4
171.04587	0.3
173.02426	2.6
175.00348	5.8
175.01788	0.5
175.04054	0.3
176.00705	0.4
177.01831	0.3
183.04538	0.3
203.03580	0.3
205.12395	0.3
217.05202	0.3
227.03438	0.3
237.05678	0.5
249.05730	0.4
251.07243	0.3
253.05171	0.5
254.05852	0.5
261.65912	0.2
265.05145	0.4
268.03870	0.4
269.04614	8.4
270.05060	0.7
279.06668	0.6
280.07483	0.3
281.04617	5.5
281.07532	0.5
282.05334	5.5
283.06177	7.0
284.06573	0.6
293.04626	56.8
294.04977	5.3
295.06131	3.6
296.06680	0.3
297.07886	0.4
306.05408	0.9
307.06046	1.0
308.03397	0.4
309.04129	0.8
309.07620	0.4
310.04822	0.6
311.05676	10.0
312.06030	1.1
314.04440	3.0
315.04626	0.4
322.04730	0.3
323.05670	8.2
324.06046	1.1
325.07306	0.4
335.05688	3.0
336.05814	0.5
337.07187	1.0
339.05289	0.3
341.06729	8.9
342.07071	1.0
347.05557	0.5
353.06717	2.4
354.07294	0.3
355.08322	0.5
365.06808	1.6
383.07785	43.9
384.08154	4.8
389.34579	0.3
401.08987	1.5
429.11420	0.3
457.11502	3.4
458.11905	0.3
465.04767	0.3
481.50458	0.3
526.63196	0.3
547.14685	100.0
548.15021	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	545.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03334	1.8
58.00490	0.7
59.01263	100.0
60.01601	1.3
61.98717	1.2
69.03340	0.5
71.01268	14.3
71.04900	1.0
71.55806	0.2
71.56161	0.2
72.99194	0.7
73.02834	3.3
75.00789	0.3
78.58067	0.2
81.03377	0.2
83.01279	2.1
83.04932	0.3
85.02845	5.3
85.06500	0.5
85.10243	0.2
87.00770	1.1
87.04440	0.3
89.02338	6.1
95.01294	1.2
95.04912	0.3
96.95902	0.3
97.02867	0.6
97.06496	1.1
99.00775	2.0
99.04450	0.2
101.02345	10.3
102.02697	0.2
109.02891	0.2
109.06563	0.3
111.00793	0.3
111.08038	0.3
112.01558	0.2
113.02356	6.5
114.02654	0.2
118.49181	0.1
119.03433	1.7
121.10153	0.2
124.65873	0.2
125.02377	0.9
125.09644	0.6
129.01801	0.2
131.03389	0.8
137.09680	0.4
138.31218	0.2
141.01730	0.5
141.12686	0.2
143.03458	1.5
149.04500	3.0
155.10706	0.3
155.14366	0.5
159.02930	0.8
161.04504	6.3
162.04886	0.4
167.10776	0.3
169.12383	0.2
171.27663	0.2
177.12892	0.2
178.09645	0.2
179.05571	0.7
179.14351	0.3
181.12415	0.2
183.13943	0.3
185.15463	0.3
191.05608	0.4
195.13860	1.3
197.11867	0.6
197.15503	0.8
205.03424	0.2
211.13422	0.3
213.18597	2.3
221.15582	0.9
223.13477	0.5
225.18489	0.4
233.15451	0.2
237.18637	0.4
239.16539	0.4
251.16664	0.4
251.20294	0.2
253.09343	4.0
253.11943	0.3
254.09636	0.3
267.23376	0.2
281.24908	0.3
291.19699	3.0
292.20190	0.2
293.08890	0.2
293.24896	0.7
305.25021	0.9
309.20779	10.4
310.21045	1.1
311.26044	1.1
313.27710	0.3
321.24530	0.3
323.25754	0.9
325.27573	1.1
339.88187	0.2
341.27005	6.6
342.27362	0.6
347.26340	0.3
365.22778	0.2
365.27078	0.7
377.27258	0.2
383.28152	0.5
407.28162	0.3
425.29248	0.2
437.29263	0.3
441.66687	0.2
449.28900	0.2
455.30542	0.2
462.33707	0.2
467.30185	0.4
485.31281	12.2
486.31561	2.3
503.32355	4.7
503.39301	0.3
504.32718	0.6
513.44336	0.2
545.30316	0.4
546.14331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
57.03330	1.6
58.00487	0.5
59.01265	100.0
60.01593	1.0
61.98719	0.4
62.62629	0.1
64.85872	0.2
67.01777	0.2
69.03354	0.3
71.01271	13.0
71.04910	1.6
72.99194	0.4
73.02837	3.7
74.72366	0.1
75.00780	0.2
81.03339	0.2
83.01275	2.4
85.02843	5.6
85.06514	0.2
87.00773	1.0
87.04424	0.4
89.02335	3.0
89.02844	0.2
95.01282	1.2
95.04929	0.3
96.95934	0.3
97.02885	0.6
97.06503	0.5
98.20602	0.3
99.00790	1.5
101.02344	8.4
109.06482	0.2
111.00784	0.3
111.08089	0.2
112.01630	0.2
113.02354	6.9
114.02691	0.2
115.03967	0.2
119.03414	0.7
121.10171	0.3
124.34603	0.2
125.02359	1.1
129.01877	0.2
131.03484	0.4
131.07121	0.2
141.01881	0.1
141.33299	0.1
143.03435	1.5
144.03760	0.2
149.04491	0.7
153.12721	0.1
159.02946	1.0
161.04503	6.4
162.04866	0.2
171.13881	0.3
179.05611	0.3
183.17519	0.2
185.14098	0.2
185.15408	0.9
191.05688	0.2
205.03627	0.2
211.17072	0.6
213.18863	0.2
225.18686	0.3
237.18590	0.3
251.20270	0.4
253.21823	0.3
259.65964	0.1
277.21875	0.4
281.24966	0.4
293.25037	0.8
305.24844	0.8
309.20734	0.2
311.25977	1.4
323.26108	0.6
325.27518	0.9
339.25458	0.3
341.27032	8.3
342.27264	0.9
347.26068	0.2
365.22949	0.1
365.27313	0.6
377.27158	0.3
383.28030	0.9
404.21826	0.2
407.28427	0.4
437.29446	0.5
449.29330	0.3
455.30502	0.2
467.30457	0.4
485.24496	0.7
485.31271	16.7
486.24747	0.1
486.31607	2.9
501.27112	0.3
503.32352	5.8
504.33060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
56.00868	0.3
57.03341	2.7
58.00485	1.1
59.01264	100.0
60.01605	1.2
61.98716	1.3
63.18079	0.2
67.57114	0.2
69.03348	0.6
69.30244	0.7
69.30665	2.2
71.01269	21.2
71.04899	1.8
72.01609	0.3
72.99188	1.2
73.02838	5.1
75.00778	0.4
81.03352	0.3
83.01275	2.9
83.04913	1.3
84.02052	0.3
85.02836	6.7
85.03352	0.3
85.06483	1.3
87.00774	1.3
87.04411	1.0
89.02338	17.6
90.02596	0.3
93.03352	0.3
95.01270	1.4
95.04939	0.3
96.95912	0.9
97.02856	0.8
97.06494	1.4
99.00774	2.7
99.04428	0.4
101.02344	17.5
101.06029	0.2
102.02635	0.3
109.06512	1.1
111.04417	0.8
111.08060	0.7
113.02354	9.2
119.03422	3.3
121.06493	0.4
121.10155	0.3
123.08041	0.3
125.02357	1.5
127.07603	0.4
129.01907	0.3
131.03430	3.8
137.09619	0.3
142.76790	0.3
143.03426	1.8
149.04497	10.4
153.09227	0.3
159.02934	0.6
161.04500	7.8
164.18007	0.2
167.10789	0.4
169.12250	0.2
177.12727	0.3
179.05560	1.1
179.10881	0.3
179.14369	1.1
181.12253	0.4
183.13840	0.4
191.05573	2.0
195.13876	6.9
196.14191	0.4
197.15436	1.2
205.12268	0.6
211.13379	0.4
213.18652	1.9
214.19002	0.3
217.15903	0.4
221.15456	4.4
223.13371	2.5
224.13713	0.4
233.15529	0.4
235.17104	0.4
237.18675	0.4
239.16493	1.4
247.20641	0.8
251.07756	0.5
251.16557	0.3
251.20302	0.3
253.09314	23.1
254.09654	1.1
267.23444	0.4
273.18665	1.1
281.21490	0.3
281.24820	0.3
291.19717	13.0
292.20206	1.3
293.08575	0.3
293.24936	0.5
305.24756	0.8
309.20776	53.5
310.21097	4.6
311.09821	0.5
311.25952	0.9
313.27603	0.3
323.25980	0.7
325.27539	1.4
341.27045	6.4
342.27533	0.4
365.27081	0.5
383.28015	0.7
391.35422	0.3
420.28055	0.3
441.28079	0.3
467.30215	0.4
485.24442	0.7
485.31290	11.9
486.31607	1.7
503.32471	3.7
504.32498	0.3
545.30139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03340	16.3
58.00480	1.2
58.03684	0.5
59.01267	48.2
60.01603	0.6
61.98724	1.1
69.03354	0.8
71.01273	27.2
71.04935	0.4
71.61866	0.4
72.01609	0.6
72.99208	2.3
73.02837	11.0
75.00772	1.2
79.02637	0.4
79.95646	1.4
81.03360	1.1
83.01283	5.0
85.02842	11.4
87.00790	2.5
89.02338	12.0
95.01285	2.7
96.95916	51.9
97.02866	0.6
97.06525	0.6
99.00797	3.3
99.04415	7.1
101.02347	27.1
103.03973	0.3
109.02873	0.3
111.00754	0.4
113.02357	13.0
113.06005	0.5
115.00249	0.5
119.03417	5.1
122.98103	0.3
123.04458	0.9
123.08074	4.5
125.02359	1.1
131.03439	0.6
135.04414	0.4
141.05573	0.5
143.03409	0.9
147.08202	0.3
149.04477	0.6
149.05942	0.4
151.11256	0.6
159.02977	1.0
161.04510	6.6
161.09631	0.6
165.05452	0.6
175.02432	0.8
177.12833	7.2
195.06595	0.7
195.13884	3.9
196.14209	0.3
219.13994	0.5
221.11847	5.9
249.06271	0.5
249.11525	1.0
255.03044	0.6
265.14835	0.3
283.06195	0.4
284.03247	0.5
295.06223	0.4
297.07629	0.4
323.05807	0.5
357.19257	0.8
374.14566	0.4
383.08063	0.5
383.17133	0.8
401.18253	74.7
402.18604	8.4
429.08649	0.5
429.17685	0.8
443.19315	26.0
444.19595	3.1
447.09119	0.7
483.22522	6.7
484.22928	0.5
514.17877	0.5
545.22498	100.0
546.13776	1.0
546.22748	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	545.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
57.74706	0.6
58.00476	1.3
59.01263	17.4
59.67653	0.6
61.98721	1.7
69.60671	5.3
71.01270	16.2
72.99196	1.7
73.02848	2.6
74.74312	0.6
75.00775	1.1
79.05695	0.7
83.01274	3.8
85.02847	4.7
87.00777	2.0
89.02332	11.2
95.01282	1.1
96.95923	1.3
97.02837	1.1
98.20542	1.2
99.00817	2.0
101.02338	10.1
111.00795	4.0
113.02357	5.2
115.00317	0.9
119.03436	3.4
121.02905	2.1
123.04475	1.0
129.87491	0.8
135.04459	2.0
137.02362	2.0
138.03145	1.2
139.00320	1.4
141.01874	3.2
143.03484	0.7
147.00793	1.0
147.04507	1.6
149.02394	4.2
149.04494	0.9
150.03082	0.8
151.03976	3.5
153.05522	1.3
154.02676	1.1
159.02895	0.8
161.02382	1.6
161.04500	3.9
161.05957	1.6
163.03954	13.0
164.04727	4.9
165.01904	0.9
165.05522	2.5
167.03455	2.1
173.06122	1.3
175.02454	2.3
175.03979	7.6
176.04588	0.7
177.01903	15.4
177.05544	2.1
178.02702	1.6
178.06320	9.8
179.03462	4.7
179.05553	1.4
179.06970	1.6
187.03932	1.2
189.01910	1.0
189.05536	2.0
190.06326	3.1
190.99739	1.0
191.03430	4.7
192.04222	11.8
192.07918	0.9
193.04987	2.8
193.08650	1.7
194.05772	2.1
201.05551	1.5
203.03477	2.2
203.65054	0.7
205.05095	2.1
206.02089	0.9
206.05824	2.0
207.03059	3.7
207.06625	17.3
208.07066	1.7
209.08232	1.0
217.05028	3.3
218.05855	1.6
219.02962	7.5
220.03633	1.5
221.08237	2.5
222.05333	1.6
224.03271	8.3
225.07693	3.1
228.16914	0.7
229.05145	5.1
231.03072	1.1
232.03937	1.0
232.07390	2.0
233.04500	0.8
234.05325	9.1
235.06064	3.7
237.07680	8.5
244.07404	2.8
245.04613	1.6
246.05331	1.1
247.06076	4.3
247.09743	2.0
248.03317	1.1
249.07716	23.3
250.08101	1.7
251.05606	2.0
251.09233	1.1
253.07205	3.5
259.09824	4.3
261.07797	1.8
262.08499	3.5
263.05725	1.2
265.07187	7.2
271.09851	1.1
273.04169	5.9
277.10822	11.2
279.08737	1.7
281.06714	100.0
282.07013	6.3
288.06461	6.5
289.06924	1.1
291.05283	1.0
291.08749	1.7
303.08777	19.9
304.09180	2.2
304.56320	0.8
321.09787	5.2
323.07813	4.1
337.71768	0.8
339.10901	3.2
347.10153	0.7
353.08752	1.0
365.08902	6.4
366.08853	0.8
439.15891	1.4
445.59570	0.8
471.15079	2.2
483.15170	3.4
501.09213	1.4
501.16266	26.1
502.16510	3.3
545.15094	26.4
546.15497	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	545.131
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
52.95070	1.0
55.40217	1.1
57.03327	1.4
59.01264	12.4
69.28957	13.5
71.01277	7.0
73.02824	2.3
83.01302	1.2
85.02849	5.9
87.00767	2.7
89.02311	4.1
93.03364	2.6
95.01306	2.1
96.95912	17.3
101.02358	3.8
105.03426	1.1
107.04964	1.6
109.02884	1.2
111.00794	2.0
113.02332	2.7
115.03918	1.7
117.03369	10.8
119.04935	2.0
121.02864	3.4
125.02396	1.5
125.72935	1.3
134.03674	1.6
135.04419	3.9
137.02374	1.8
147.04410	1.5
149.02370	3.5
149.05962	1.4
150.03119	4.7
151.00218	2.7
151.03903	2.6
159.04436	2.2
161.02396	4.8
163.00238	2.0
163.03958	2.4
165.01881	1.9
165.05556	5.6
166.02603	3.6
173.02391	1.6
175.03958	4.5
177.01837	4.2
179.03447	1.8
181.05020	2.7
189.01834	3.2
191.03468	4.3
193.01392	1.4
195.06557	3.8
201.01913	2.1
203.03467	5.2
204.00597	1.6
205.01488	1.4
205.05009	1.8
207.02937	3.7
215.03506	1.9
219.02765	2.6
221.04523	2.0
231.02980	3.0
233.04544	3.1
235.02325	2.3
239.07051	2.1
247.06079	1.7
249.03961	2.0
250.06593	1.2
251.07082	2.3
254.06157	1.6
263.07260	2.3
265.05310	2.2
266.05807	1.9
267.06729	4.5
269.04620	1.7
271.06122	3.6
275.05615	8.8
279.06577	1.5
281.04575	6.6
282.05313	5.0
283.06131	17.3
284.06479	1.9
286.08392	1.7
287.05731	1.6
293.04608	3.7
293.08267	3.1
294.05460	3.0
295.06143	20.1
296.06808	4.6
297.04407	2.4
297.07675	12.8
301.03781	1.4
301.10916	4.7
305.06763	4.5
307.06342	9.9
308.03354	1.5
308.06824	2.3
309.04190	2.5
309.07712	6.5
311.05716	22.5
312.05991	2.7
314.04199	1.4
319.06149	1.5
321.04147	2.6
321.07751	4.5
322.04730	5.5
323.05649	20.4
324.05704	2.7
325.07108	7.4
328.06052	2.3
334.04630	1.4
335.05939	5.7
336.06476	1.3
337.07224	16.5
339.05057	8.3
339.08569	1.5
340.05298	1.3
341.06769	10.0
349.07095	2.4
350.04279	2.1
351.05237	22.7
351.09296	1.1
352.05673	2.6
353.06778	11.6
354.07040	1.7
355.08179	3.0
363.05118	4.5
365.06244	7.3
367.08292	5.0
369.06219	12.6
379.08441	1.7
381.06204	21.7
383.07806	20.5
384.08054	2.5
393.06009	1.8
395.07819	4.3
397.09299	2.5
399.07281	1.7
401.09048	6.7
409.09323	1.9
411.06964	8.0
413.08960	12.6
419.07755	1.8
423.06949	1.4
425.09390	1.8
427.10217	2.2
429.08414	23.3
430.08505	2.6
437.08987	2.6
441.08374	57.4
442.08630	10.5
443.09970	6.5
453.08398	3.3
455.09982	12.4
456.10306	2.3
459.09381	2.6
467.09775	1.4
471.09476	17.9
472.09396	1.5
473.10968	27.5
474.11380	3.9
501.10553	23.0
502.10626	3.7
509.20462	1.9
527.12146	23.5
528.12610	3.4
545.13080	100.0
546.13470	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	544.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08031	1.7
51.43655	1.6
51.68147	1.9
57.03341	2.8
58.00475	3.6
59.01265	70.1
61.98703	6.9
66.03371	3.0
71.01267	50.0
71.36504	4.2
72.04449	2.6
72.99198	3.7
73.02827	8.5
74.02364	22.0
75.00779	10.4
83.01279	3.3
85.02843	8.6
87.00784	3.9
89.02336	76.7
93.03354	4.4
97.02837	5.8
99.00780	4.6
99.92480	3.2
101.02345	20.5
107.04955	3.1
108.02084	17.2
111.00784	2.9
112.15483	1.9
113.02335	13.1
115.00282	2.8
115.03938	2.6
116.03458	28.5
116.92760	28.4
117.01852	16.1
117.02957	3.0
117.05508	5.2
119.03405	3.6
123.04378	3.2
125.02361	16.9
130.04262	2.1
131.03436	21.5
145.06519	7.3
149.04483	34.3
149.05992	16.6
150.06447	1.9
172.07629	100.0
173.07944	8.5
185.87488	2.0
190.06956	3.4
190.08696	70.6
191.05540	5.1
191.09006	2.3
233.06749	3.4
245.98463	1.9
249.11325	3.1
293.08835	46.3
294.09198	5.7
303.73273	2.2
309.95642	1.8
429.17673	7.2
558.45483	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	544.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56958	1.3
56.87555	1.3
57.03341	1.8
58.00484	1.9
58.02848	1.4
59.01266	62.9
61.17813	1.4
61.98716	5.4
66.03377	2.2
69.03345	4.3
69.39302	4.7
69.39728	10.8
71.01272	71.4
71.12275	1.6
72.99195	4.0
73.02839	15.8
74.02360	11.8
75.00762	15.0
81.03352	4.2
83.01286	4.0
83.02448	1.5
85.02849	10.4
87.00769	3.0
89.02341	97.6
90.30395	1.5
93.03372	2.3
95.01296	2.4
97.02856	6.9
98.19746	2.7
99.00798	4.7
101.02342	23.1
108.02077	19.6
111.00842	1.4
113.02363	13.0
115.03940	4.0
116.03455	24.6
116.92781	11.4
117.01852	15.8
117.02946	3.2
117.05480	9.3
119.03438	4.1
119.56194	1.5
125.02369	24.5
130.04196	2.2
131.03429	23.1
143.03482	1.9
145.06534	6.4
149.04497	45.8
149.06001	20.1
161.04532	2.8
172.07637	100.0
173.07979	4.9
176.68378	1.5
190.06964	3.3
190.08707	69.8
191.05595	12.8
191.07051	1.9
191.09039	5.6
233.06709	7.3
265.83020	1.4
293.08856	82.1
294.09177	5.8
298.41809	1.4
326.11786	1.7
485.18146	8.4
503.19449	4.0
545.20178	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	541.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00593	0.5
57.42215	0.4
58.55730	0.4
59.01264	100.0
60.01609	0.7
61.98721	0.6
65.14304	0.6
71.56818	0.5
90.39011	0.4
96.95917	2.5
97.50254	0.4
117.81464	0.5
120.77630	0.4
123.54567	0.5
134.65868	0.4
170.66924	0.4
208.60046	0.5
277.21759	3.3
348.51471	0.5
351.16525	0.4
529.92682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
56.13864	0.2
58.91843	0.2
59.01263	100.0
60.01598	0.8
61.98701	0.2
71.01264	2.1
73.02843	0.8
75.00762	0.2
78.95798	0.5
81.12395	0.2
83.01258	0.3
85.02847	0.9
89.02320	0.2
91.25027	0.2
96.95907	3.0
98.19783	0.7
99.00784	0.4
101.02338	1.9
110.98473	0.2
113.02375	1.1
136.18427	0.2
140.45616	0.2
142.99370	0.2
156.68422	0.2
161.04486	1.4
223.08229	5.8
227.86208	0.2
229.63199	0.3
277.21771	37.9
278.22119	3.6
348.29565	0.2
543.20178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3322
Annotation	Luvungin F
Peak:m/z	Relative Intensity
50.68098	1.7
57.03337	3.0
59.01265	100.0
61.98715	30.1
69.32105	20.5
71.01270	25.7
72.99203	2.3
73.02843	6.8
75.00755	5.2
83.01276	4.3
83.47696	1.8
85.02821	12.1
85.18815	1.7
87.00781	4.3
87.90350	1.9
89.02344	15.4
95.01285	2.5
96.95905	16.4
99.00778	4.6
101.02341	13.3
111.04435	2.3
113.02373	14.8
119.03392	3.3
123.04520	1.9
125.02381	3.1
131.03474	2.2
143.03473	3.0
149.04477	3.4
161.04517	6.0
179.03651	1.9
179.05562	2.6
238.63503	2.0
304.00345	2.3
337.04007	2.4
351.18088	2.4
483.29987	7.4
501.30988	5.4
505.34302	2.6
507.35550	4.2
516.61957	2.1
543.33185	95.7
544.33734	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	541.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42156	1.6
59.01263	36.6
61.13847	2.2
61.98720	16.2
63.69624	2.2
69.49859	7.6
69.50297	7.8
71.01276	11.1
73.02843	2.0
83.01244	3.0
83.46536	1.7
85.02832	3.5
88.98681	2.0
89.02354	5.9
95.01292	2.5
98.19852	3.7
101.02364	4.6
109.02837	2.3
113.02337	5.4
121.02857	3.0
125.02415	2.4
161.04497	4.5
227.03506	2.0
269.04514	3.4
343.82034	2.4
349.22394	3.3
481.27625	3.8
505.34143	10.3
506.34525	2.6
541.13678	2.9
541.31683	100.0
542.31958	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	541.3165
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
56.83544	1.6
59.01266	20.4
61.98715	4.9
69.33311	3.9
69.33723	11.9
71.01255	3.5
73.02847	2.5
85.02853	1.9
88.14310	1.3
89.02326	2.0
91.58758	1.4
93.34666	1.4
98.19765	2.7
98.56752	1.4
101.02354	3.6
113.02335	1.8
155.52084	1.5
161.04448	2.7
245.09465	2.1
343.28619	2.3
505.33914	6.2
541.31592	100.0
542.32007	13.7
546.27734	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3165
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
55.74090	1.5
57.03333	3.0
59.01267	53.1
61.98721	13.1
66.95868	1.7
71.01276	20.1
71.60807	2.7
71.61192	1.9
72.58382	1.6
72.99194	1.7
73.02844	4.3
75.00763	2.7
83.01290	2.1
85.02838	6.7
87.00787	2.7
89.02339	10.4
96.95890	2.4
99.00791	3.4
101.02358	11.1
107.29783	1.7
113.02389	9.1
119.03433	3.1
121.02863	2.4
125.02349	7.6
131.07077	4.4
133.77036	1.9
161.04498	6.2
215.60510	1.9
254.05794	1.8
259.06033	3.1
287.05725	4.1
349.22485	5.9
351.09634	2.8
481.27127	6.6
505.33911	14.2
541.11841	4.9
541.31720	100.0
542.32001	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	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.7
57.03348	0.9
59.01263	15.5
59.01531	0.9
67.63045	0.6
69.29193	6.6
70.75484	0.6
71.01273	13.1
73.02826	4.8
75.00776	0.8
83.01289	3.5
85.02839	7.0
87.00787	1.1
89.02341	4.7
93.03352	3.7
95.01306	1.5
99.00793	1.9
101.02339	9.6
108.02106	1.1
109.02885	0.8
113.02363	3.6
119.03455	1.8
119.83033	0.6
121.02858	5.4
122.03651	15.0
123.04459	1.6
125.02395	0.8
133.02899	4.9
134.03670	2.0
135.04474	0.8
136.01637	1.4
137.02382	1.3
147.04529	0.9
149.02385	29.3
149.06027	1.4
150.03174	100.0
151.03564	3.3
161.02425	0.7
161.04532	1.2
162.03171	1.8
163.04034	0.9
164.04724	5.9
165.05530	90.3
166.06024	6.9
167.06978	1.0
177.05576	1.0
180.04240	7.2
181.05035	1.4
181.08669	5.8
181.68031	0.6
184.44225	0.6
195.06619	40.6
196.06909	2.1
220.91719	0.6
314.11618	3.6
315.12189	0.9
329.14023	7.0
330.14182	1.4
343.14069	13.7
344.14487	1.2
377.16266	3.0
391.14038	2.1
491.19348	71.7
492.19547	10.4
539.21606	11.6
540.21460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.2
58.00480	1.8
58.99441	1.1
59.01263	100.0
61.90565	1.0
61.98711	9.5
64.36419	1.1
69.03340	1.2
69.29047	11.7
70.90396	1.2
71.01270	31.3
72.99197	3.5
73.02834	19.0
75.00771	2.6
83.01267	5.6
83.04892	1.7
85.02850	9.2
87.00771	1.2
88.98673	1.6
89.02335	20.9
95.01286	2.9
96.95898	1.8
99.00802	2.1
101.02347	24.0
108.02090	1.9
109.02867	2.3
113.02355	18.1
119.03429	5.2
119.19070	1.1
121.02856	4.8
123.04436	1.9
125.02343	3.1
131.03392	2.8
134.03690	1.2
135.04413	1.5
136.05205	2.0
141.01665	3.9
143.03365	1.2
147.04408	2.7
149.04483	4.3
149.05945	1.7
151.07561	8.6
152.08344	9.4
161.04501	5.9
161.05922	1.5
163.03859	1.6
165.04182	1.4
165.05551	5.0
175.11313	1.0
177.09352	1.1
179.05591	3.2
179.07082	2.5
188.04536	1.2
194.25462	1.0
207.43413	1.1
208.99658	1.3
224.51811	1.3
225.05519	1.4
254.05807	2.6
255.06709	2.4
266.05945	1.9
267.06863	2.1
268.07376	1.8
269.08075	2.3
270.08725	1.5
282.08905	2.7
286.04764	1.2
293.08499	1.9
295.09787	5.4
309.08112	1.7
309.11502	1.1
313.10532	1.2
314.07959	2.6
325.10751	1.4
339.12589	1.6
377.19876	1.3
435.23923	14.7
449.16162	5.6
453.25522	6.4
463.17944	1.3
469.67218	1.3
475.17953	2.1
479.17902	1.7
479.36621	2.3
491.17245	3.2
494.19427	4.4
495.25745	7.7
506.19705	2.7
509.21869	37.3
510.22452	7.2
521.21881	36.4
521.28070	0.9
522.22290	8.9
539.21942	1.9
539.32892	4.3
540.19952	1.9
540.29285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.7
57.03330	1.5
57.96452	0.8
58.00483	1.0
59.01270	14.1
59.75279	0.7
69.74280	1.5
69.74699	3.9
71.01271	12.1
72.99181	1.7
73.02829	5.4
75.00771	1.7
83.01278	3.7
85.02837	10.4
86.00001	1.0
87.00773	1.5
89.02329	2.8
93.03355	2.0
95.01276	1.5
96.95853	1.3
99.00780	2.7
101.02347	14.4
108.02060	1.1
109.02864	0.7
111.00833	0.8
113.02338	5.2
121.02862	4.9
122.03662	5.5
123.04436	1.1
129.01869	0.8
132.02124	1.3
133.02895	6.6
134.03638	1.4
135.04425	0.7
136.01601	0.9
137.02374	1.3
138.80783	0.8
147.02960	0.7
147.04424	0.8
149.02390	26.8
149.06010	2.3
150.03177	51.2
151.03836	2.3
163.03946	0.9
164.04723	6.6
165.05540	43.4
166.06290	5.5
180.04262	2.6
181.04999	0.7
181.08675	6.2
195.06622	20.3
195.08340	1.4
196.07033	1.2
283.09885	1.1
285.08109	0.8
311.09439	0.7
314.11658	5.4
315.12424	2.0
329.14023	13.7
330.14343	1.0
343.14301	12.7
377.16064	1.5
391.13864	3.5
406.46716	0.9
418.51938	0.7
436.65897	0.8
476.17029	0.9
491.19354	100.0
492.19711	16.3
539.21686	21.6
540.21753	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	539.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71192	0.4
58.01803	0.5
59.01264	6.9
61.98703	1.6
62.72078	0.5
65.63567	0.4
69.30912	2.2
69.31335	3.2
71.01269	1.8
72.18362	0.5
73.02833	0.8
76.57103	0.4
85.02834	0.8
95.01279	0.7
96.95896	1.1
99.00827	0.4
101.02332	1.7
108.02031	0.8
108.18868	0.4
109.02874	3.4
113.02314	0.5
115.69045	0.4
119.01289	2.0
120.55962	0.4
121.02892	1.4
123.00784	0.9
123.04411	0.8
125.02336	0.5
133.02873	0.5
137.02354	0.6
161.02435	1.0
161.04552	0.6
171.04483	0.4
174.99187	1.1
179.01839	0.4
185.02350	0.5
200.04666	0.5
211.04030	1.3
213.01881	0.8
217.00294	1.9
226.02684	0.7
227.03423	0.5
235.04005	0.9
236.04871	0.9
239.03552	0.9
240.04175	0.8
241.04936	0.6
249.05580	0.5
251.03522	1.3
253.04997	1.0
255.03123	0.8
256.03818	1.1
263.03610	0.6
266.76996	0.4
267.03030	1.6
273.05756	0.7
285.05579	0.7
286.06171	0.5
299.07306	0.6
301.05161	3.0
302.05957	2.4
303.06616	1.3
313.05157	1.1
314.05923	0.6
316.07150	0.5
317.08282	0.6
327.06628	0.8
328.07153	0.5
329.04666	2.0
330.05356	2.7
331.05847	0.7
341.04446	0.9
342.05432	0.7
343.06049	1.0
344.06897	0.7
345.07639	1.0
347.24326	1.7
351.06448	0.5
352.07330	0.5
355.06030	0.5
357.04135	1.3
358.04990	2.2
359.05563	0.8
365.08194	1.3
366.09116	1.0
370.08359	0.6
372.06540	1.3
373.07181	1.0
374.99338	1.8
377.07535	1.5
379.05630	0.6
381.07703	0.6
385.03659	0.7
386.04221	3.4
387.05032	0.9
393.07825	2.2
394.08459	1.7
399.05151	1.5
400.05911	3.6
401.06564	3.9
405.07593	0.5
409.06818	0.5
410.07938	0.7
414.07675	0.8
415.08298	1.9
416.08820	0.9
421.07104	3.5
422.07776	1.1
425.10458	2.0
429.09906	1.2
434.08496	0.7
437.06583	0.5
438.07401	3.0
440.13101	0.5
449.06796	1.8
450.07358	1.9
453.09787	4.9
454.10233	0.7
465.09900	1.7
466.07159	1.6
477.06497	1.6
478.06879	1.2
479.28772	3.0
481.09283	5.5
482.09949	0.6
492.08609	1.0
493.09860	3.0
494.06287	3.8
507.10974	0.9
509.08871	41.8
510.09097	6.5
523.10529	0.7
524.11237	60.7
525.11548	9.1
539.13617	100.0
540.13910	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1358
Annotation	Floribundiquinone C
Peak:m/z	Relative Intensity
59.01260	5.7
60.53198	0.8
60.85408	0.8
61.98720	4.6
69.63009	6.2
71.01281	1.6
83.01319	0.9
91.10827	0.8
95.01300	1.1
96.95924	2.3
99.13268	0.8
101.02357	1.5
107.01289	1.5
109.02802	1.2
111.00780	1.0
123.00804	5.0
123.04433	1.1
146.87892	0.7
149.99521	3.0
151.00255	1.9
159.04491	0.9
163.00356	1.6
164.01106	1.1
169.01353	2.3
174.99168	1.2
182.02161	3.2
183.02951	2.7
187.03952	2.9
202.06300	1.5
202.39064	0.8
204.08377	0.7
217.00267	6.2
246.97171	0.8
251.03517	1.1
280.03760	6.6
281.04462	0.9
330.05475	4.7
343.06293	1.7
347.24564	2.0
358.04761	1.0
365.08273	1.3
374.99298	4.5
382.08124	1.3
394.08823	1.1
409.07401	1.1
410.07919	1.4
421.07254	1.6
422.08026	1.1
438.07401	3.2
449.06879	1.3
453.09781	0.9
466.06946	5.5
477.06311	2.5
478.06717	1.9
479.28839	1.5
481.09402	12.2
482.09952	1.6
491.08231	1.1
492.08627	2.5
494.06525	7.6
495.07361	1.4
507.10840	1.3
509.08871	29.6
510.09213	4.9
524.11176	20.8
525.11499	3.3
539.13599	100.0
540.13947	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	539.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44629	0.5
55.29206	0.5
59.01266	5.3
61.98720	1.2
65.77608	0.6
95.01284	0.6
96.95918	2.5
109.02848	1.3
119.01281	2.1
123.00794	0.7
147.81128	0.6
149.99515	0.8
174.99193	1.5
190.08904	0.6
190.55142	0.6
211.03906	0.7
213.01781	0.6
217.00320	4.7
227.03433	0.7
236.04744	0.7
239.03584	0.8
245.67624	0.6
255.02972	0.6
280.03711	0.6
301.05057	1.8
302.05908	1.4
307.69125	0.6
312.04465	0.7
313.05164	1.1
314.05569	0.6
327.06573	0.7
329.04602	0.9
330.05292	2.6
343.06137	1.2
352.07791	0.6
353.08176	0.9
355.91205	0.6
357.04074	1.0
358.04779	1.6
365.08234	0.8
369.07614	0.7
371.05771	1.7
372.06525	0.8
373.07513	0.8
374.99319	4.1
376.07382	0.8
377.08069	1.5
380.06775	0.7
381.07742	0.9
386.04248	2.0
386.08597	0.7
393.07834	2.7
394.08569	5.0
395.09048	0.9
399.05179	1.0
400.05939	2.2
405.07645	3.1
406.08508	1.2
409.07462	0.9
410.07825	1.2
421.07141	3.4
422.07935	1.7
425.10306	1.6
426.07492	0.7
433.07281	2.3
434.07867	1.6
438.07581	3.0
439.08203	0.8
439.75790	0.6
449.06631	3.6
450.07388	2.6
453.09885	4.1
466.07150	2.6
478.07007	3.0
479.07703	0.9
481.09467	5.9
482.09882	0.8
492.08371	0.8
493.09647	3.2
494.06244	3.5
507.10953	2.0
509.08868	53.7
510.09207	10.5
524.11212	43.1
525.11633	5.7
539.13605	100.0
540.13922	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	539.1357
Annotation	Floribundiquinone C
Peak:m/z	Relative Intensity
51.61593	1.5
52.96531	1.1
57.02097	1.3
59.01263	25.8
61.63989	1.1
61.98717	6.5
65.51088	1.3
66.76180	1.2
67.35614	1.3
69.44463	1.2
71.01269	5.0
71.60739	2.4
74.11658	1.3
75.43219	1.4
82.12859	1.4
85.02858	2.4
88.98704	1.7
91.09677	1.2
96.95936	6.8
101.02350	4.7
108.02073	2.0
109.02896	2.7
113.02363	2.1
114.39118	1.2
121.02859	1.8
123.00838	1.6
131.12160	1.3
174.99249	2.1
186.93820	1.4
187.03943	2.7
217.00313	7.1
227.03601	1.9
238.82907	1.4
240.04407	1.8
269.04507	1.3
280.03796	1.5
301.05054	1.3
330.05368	1.9
331.05881	1.6
347.24313	6.5
358.04913	2.9
360.85840	1.4
365.08133	1.6
373.07156	3.0
374.99420	4.0
393.07657	2.8
400.05783	3.1
401.06552	1.7
421.07040	2.5
425.10785	1.9
438.07260	3.1
449.06586	2.3
453.10016	3.9
466.07175	4.2
478.07010	3.8
479.28690	7.8
481.09418	9.2
482.08466	1.5
492.08368	3.2
493.09460	3.7
494.06528	4.2
509.08862	35.6
510.09848	6.7
524.11249	42.7
525.11670	6.4
538.32996	5.5
539.13666	100.0
539.32654	4.5
540.13843	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	537.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27244	0.8
57.03336	3.8
57.95053	0.9
59.01265	42.5
61.98716	11.9
63.17006	1.0
69.03333	3.1
71.01270	9.6
71.59942	1.2
72.99204	1.1
73.02839	2.4
75.00749	4.6
83.01302	1.5
83.04949	1.8
85.02850	3.2
87.00781	4.6
87.26866	0.9
89.02354	6.6
91.45092	0.8
95.01332	0.9
96.95938	1.4
97.06499	2.1
99.08133	1.0
101.02348	8.2
106.26384	0.8
109.06467	1.5
110.24043	0.9
111.08083	9.5
113.02383	4.5
115.01945	0.8
119.03392	2.4
125.02405	1.4
131.99594	1.0
133.04997	1.1
137.09612	0.9
141.30815	1.0
161.04465	3.2
164.04541	1.0
165.12805	100.0
166.13167	6.0
181.12294	1.9
183.13857	16.0
184.14139	1.4
191.10739	2.4
209.11844	7.6
227.12894	19.2
235.08243	3.7
241.14507	11.6
253.09299	9.1
293.08929	1.0
303.28287	0.9
405.13437	3.8
405.25269	1.1
417.29123	1.3
445.20898	55.5
446.21268	6.7
459.80640	1.1
477.27167	1.0
537.31104	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	537.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.3
57.03344	3.5
58.00482	1.8
59.01268	54.2
60.01597	1.2
61.98717	9.2
64.42120	0.7
69.03344	1.4
69.42155	4.1
69.42578	1.9
71.01272	50.0
71.04951	0.8
72.01612	0.9
72.99195	4.0
73.02838	12.8
75.00767	4.7
81.03333	0.7
83.01281	6.8
85.02849	21.9
85.06487	2.7
87.00772	4.9
89.02338	28.9
95.01257	2.9
96.95918	2.5
97.02865	1.2
97.06493	1.3
97.96835	0.6
99.00777	7.3
99.04443	0.7
101.02350	27.5
102.02697	0.8
108.02090	0.7
109.02907	0.7
111.00788	1.4
113.02365	15.5
114.02672	0.7
115.07543	0.6
116.92771	2.1
119.03414	5.4
121.02831	1.6
123.00827	1.3
123.04465	1.1
125.02401	3.9
129.01808	1.5
131.03433	9.8
134.03622	0.8
143.03450	2.1
147.02916	0.8
149.02425	1.7
149.04492	7.2
149.05760	0.9
150.03104	1.2
153.12871	0.7
155.14362	5.1
159.02957	1.5
161.04509	6.4
163.03896	1.3
165.05496	1.4
165.12758	0.7
166.06320	2.2
167.03404	0.9
167.07100	1.0
179.05606	2.0
181.08670	1.0
181.15938	2.8
183.04497	8.0
183.13840	1.2
184.04843	0.9
185.11836	0.9
191.01978	1.6
191.05557	4.6
199.13361	16.6
200.13635	1.0
201.05457	0.6
219.08846	1.2
220.36937	0.6
225.14946	3.0
233.06747	1.1
249.05945	0.9
250.06528	0.8
251.07083	0.9
267.06735	1.3
269.08398	0.8
277.05045	0.7
293.08856	2.5
295.06125	2.6
310.08740	1.8
315.12485	1.1
315.25461	2.4
325.10941	4.6
333.04279	0.8
333.13510	2.6
345.19226	7.5
346.19644	1.2
351.13068	1.2
351.89212	0.8
357.26752	1.9
375.27576	21.8
376.27997	1.9
405.21069	5.1
416.36624	0.7
433.28073	0.8
459.14789	0.8
477.17584	3.9
477.23550	13.9
477.30859	5.0
478.23752	1.7
489.19397	1.2
495.31702	0.9
507.20209	1.3
536.31714	0.8
537.25555	100.0
537.32922	24.4
538.25885	14.6
538.33362	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69640	1.0
57.03330	5.0
57.10565	0.8
57.90778	1.0
59.01265	50.8
61.98718	13.9
66.67521	0.9
69.03351	2.3
71.01266	12.5
71.04906	1.0
71.59863	1.8
72.99207	1.3
73.02843	2.9
75.00771	1.9
81.03380	0.9
83.01289	3.9
83.04933	2.0
83.79240	0.8
85.02829	5.7
87.00769	9.4
89.02323	8.4
93.04115	0.9
95.01282	1.6
96.95917	1.5
97.06483	1.0
99.00790	1.7
100.00202	0.8
101.02354	8.4
109.06480	1.0
111.08041	7.5
113.02356	8.0
119.03439	2.9
121.02843	2.3
124.29131	0.9
125.02408	1.0
131.03409	0.9
147.04417	1.4
149.06071	1.6
161.04518	3.0
164.07179	1.3
165.12801	100.0
166.13129	6.2
179.05620	1.3
181.12215	1.9
183.13843	14.9
191.10751	2.0
209.11823	8.0
227.12895	17.8
228.13203	1.3
235.08258	3.3
241.14516	10.7
253.09319	10.0
360.05960	1.1
405.13574	7.4
405.25159	1.6
417.28308	1.3
445.20874	50.5
446.21307	7.4
477.30615	2.0
537.13513	3.5
537.29565	8.0
538.29474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48809	0.6
55.01773	1.0
55.63993	0.6
57.03348	3.3
58.00485	1.2
58.07466	0.6
59.01263	62.4
67.01776	0.7
68.99678	1.1
69.03331	1.0
69.33785	6.7
71.01267	24.5
72.99194	4.1
73.02811	3.7
73.54166	0.7
75.00767	8.7
83.01256	1.8
85.02355	1.2
85.02840	14.2
87.00780	3.8
89.02334	17.9
89.15794	0.6
93.03361	1.2
95.01280	3.0
97.06435	0.6
98.20635	1.1
99.00788	5.2
99.04409	1.4
101.02343	10.5
103.00275	1.3
107.24214	0.7
109.02845	2.0
111.88741	0.6
113.02355	15.2
115.00264	0.8
117.01885	0.9
117.67283	0.6
119.03419	4.0
125.02349	1.2
128.41727	0.7
129.01868	1.1
131.03404	1.9
132.04413	0.8
134.03651	1.5
135.04445	0.9
149.04465	3.8
149.06001	0.9
156.74167	0.7
159.04503	0.9
161.04509	1.1
163.11211	1.7
175.02444	1.1
179.05603	1.8
180.11067	0.7
181.12305	9.3
205.07042	1.0
207.13902	1.6
209.11816	1.6
225.11327	20.9
225.14819	1.4
226.11560	1.4
227.12878	5.0
231.05069	1.3
243.12422	1.0
245.15146	0.7
249.06142	9.6
267.07343	6.3
268.07373	0.8
269.13928	1.4
287.15009	2.4
300.58536	0.7
301.11896	1.0
309.08310	2.9
330.10962	0.9
342.10873	0.7
357.09586	1.5
357.13586	0.7
359.84848	0.7
361.18982	1.3
375.14664	2.4
375.27609	2.0
405.12280	1.1
405.17688	17.4
405.25357	1.4
406.18173	0.8
458.71484	0.8
477.23755	1.5
493.16745	0.9
495.24643	1.0
505.14346	0.9
519.21106	4.9
537.21973	100.0
537.32880	14.4
538.22333	13.9
538.32721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23268	0.5
55.01769	1.0
57.03337	3.1
58.00468	1.9
59.01264	32.4
60.01587	1.1
61.98705	2.1
69.03324	1.8
69.64180	2.1
69.64595	1.9
71.01268	24.8
72.01601	0.8
72.99181	2.1
73.02848	3.4
74.20445	0.6
75.00745	2.2
83.01269	2.2
85.02846	5.4
85.03316	0.8
87.00773	2.4
89.02335	25.1
93.03351	0.5
95.01279	1.5
95.04876	1.2
97.02846	3.5
98.20520	1.3
99.00778	1.7
101.02348	10.8
107.04928	3.0
108.02043	2.8
109.02861	0.8
111.00759	0.9
113.02371	5.7
119.03429	2.5
119.04942	1.2
121.02870	2.1
122.03616	0.8
123.00800	2.9
123.04427	1.1
124.01587	12.1
125.02367	5.2
131.03438	5.7
134.03665	0.6
135.04449	9.0
136.04845	0.9
137.02379	3.5
137.05995	1.5
143.03426	1.1
147.04475	6.6
148.05165	0.7
149.02386	1.1
149.04524	6.9
149.06012	33.8
150.03146	9.5
150.06355	2.5
161.04518	1.1
163.03946	0.9
164.04755	1.9
165.05519	57.2
165.12813	0.8
166.05832	4.2
179.05714	0.8
179.07111	0.8
181.16095	0.6
183.06578	0.8
183.13864	3.2
184.07726	1.0
185.08987	0.6
191.01860	0.7
191.05544	2.0
199.17119	0.7
224.42099	0.5
227.12827	1.2
233.06709	0.8
293.08832	6.2
294.09094	1.0
342.10995	1.0
357.13498	2.1
357.26486	3.2
375.14349	0.8
375.27591	11.4
376.27899	0.7
386.61081	0.6
405.15741	1.6
443.15613	0.9
477.31378	0.6
519.31836	1.1
537.32941	100.0
538.33344	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	537.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85886	0.6
55.01761	1.2
57.03334	1.5
58.00471	1.7
59.01267	42.3
60.01597	1.0
61.98713	1.9
64.74696	0.8
66.03367	1.7
69.03341	2.9
70.93492	1.9
71.01273	40.2
72.01609	1.3
72.99192	2.6
73.02843	6.2
75.00753	2.0
78.01720	0.7
81.03349	1.4
83.01272	3.2
83.07928	0.8
85.02839	8.6
87.00770	3.0
89.02340	38.7
90.02682	1.1
93.03342	0.7
95.01286	3.0
95.04937	1.5
97.02856	6.5
98.20431	0.7
99.00783	3.3
101.02348	12.6
103.05450	1.4
107.04927	2.8
108.02072	4.4
110.00012	1.2
110.02449	3.5
110.03069	0.6
113.02359	7.5
117.75494	0.8
119.03432	1.9
119.04930	2.6
121.02880	1.6
121.06535	0.8
122.03650	1.2
123.00822	4.7
123.04480	0.9
124.01592	23.7
125.02383	8.4
131.03426	8.8
133.06528	0.8
134.02666	0.7
134.03638	1.0
135.04453	8.8
136.04817	1.1
137.02379	7.0
137.06029	4.2
143.03415	1.7
147.04454	12.7
148.05168	2.1
149.04536	12.2
149.06021	70.1
149.99509	0.8
150.03160	17.0
150.06323	4.1
151.03477	0.7
161.04518	1.1
163.03981	1.3
163.70047	0.6
164.04677	1.1
165.05527	100.0
166.05884	6.5
168.00548	1.2
184.07678	2.4
191.05603	5.3
192.05954	0.8
201.15002	0.8
204.06822	0.8
233.06720	2.0
243.11539	0.7
258.09433	3.6
293.08826	11.6
294.09177	1.5
335.17307	1.9
347.15036	0.7
375.27612	4.4
443.15820	2.3
477.24127	1.1
477.31015	1.9
537.12988	1.0
537.25598	10.0
537.33105	11.0
538.26349	1.7
538.33685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.6
61.98711	0.4
65.00187	0.5
65.08846	0.2
66.90065	0.2
69.32526	2.2
71.01261	0.6
73.02808	0.3
77.03883	0.2
80.02551	0.5
81.03349	0.2
85.02852	0.3
87.00763	0.8
88.98691	0.5
89.02307	0.6
91.01794	11.8
92.02116	0.4
95.01265	0.7
99.00710	0.2
101.02332	0.3
107.04961	0.6
107.73424	0.2
108.02080	15.6
109.02895	3.7
118.08746	0.2
121.02862	0.9
123.00800	4.8
124.01589	0.5
135.00816	14.2
136.01155	0.5
137.02391	2.9
138.56131	0.2
152.01099	15.7
153.01616	0.6
169.06412	0.2
197.06052	1.4
199.07587	0.6
213.05534	1.1
215.07155	0.8
225.05597	0.3
243.06657	100.0
244.06990	8.0
244.09517	0.4
245.86348	0.2
255.10268	0.2
293.08258	0.3
303.06693	0.2
304.07504	0.2
316.04034	0.3
318.08987	0.3
319.09848	0.4
320.10757	0.7
321.11426	0.3
337.10831	0.6
346.08557	0.3
373.26089	0.3
374.26270	0.3
387.12503	0.5
405.13519	13.1
406.13892	1.8
429.10486	0.6
475.14404	0.4
535.30688	0.2
537.16241	7.8
537.33221	0.3
538.16486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80120	0.5
55.01770	2.2
57.03341	3.6
58.00465	3.5
59.01264	75.5
60.01593	1.6
61.31900	0.6
61.98718	3.2
69.03343	35.6
70.03689	0.8
71.01268	88.0
71.55496	0.8
72.01610	0.9
72.99200	5.9
73.02832	10.7
74.18622	0.5
75.00766	2.7
79.01777	2.7
81.03351	6.0
83.01273	7.7
83.04906	0.8
85.02842	23.9
87.00777	6.1
88.98140	0.6
88.98686	2.0
89.02336	100.0
90.02674	0.8
93.03394	0.7
95.01289	6.5
96.95912	2.0
97.02853	22.9
98.03168	0.8
99.00778	4.4
101.02349	23.1
101.03027	1.1
103.00229	0.7
107.01292	11.3
108.02080	51.8
109.02898	10.4
111.00792	2.2
113.02360	17.7
114.02704	0.8
115.03962	0.7
119.03423	5.1
121.02885	3.6
123.00797	5.8
123.04417	1.6
123.08053	1.1
125.02366	61.2
126.02661	2.7
129.01840	0.6
131.03426	21.8
131.04411	1.3
135.00809	37.4
135.02934	1.3
135.04283	0.7
136.01079	1.2
137.02383	5.7
139.03951	1.3
143.03435	4.4
147.02925	1.3
149.04495	29.4
151.00310	6.5
151.03970	1.2
152.01091	84.1
153.01880	11.7
161.04510	3.6
161.05638	0.6
163.03932	1.0
165.01906	1.3
167.03430	1.1
171.13777	0.8
173.04568	0.7
179.05457	0.8
191.01979	2.7
191.05582	12.7
192.06100	0.6
197.06064	4.7
203.05424	0.5
206.99712	0.8
213.05547	1.0
215.07176	1.0
233.06659	8.2
242.05823	1.8
243.06641	35.4
244.06940	3.1
249.05992	0.7
278.21884	0.6
293.05682	1.1
293.08856	19.9
294.09024	1.4
315.25549	1.3
343.12576	0.6
373.25909	1.6
374.26230	3.0
375.27347	5.4
405.13657	2.8
405.18234	0.6
429.10452	58.0
430.10791	5.8
435.22620	0.9
477.23389	1.9
477.30450	0.9
507.20309	0.7
536.31598	4.3
537.15131	0.7
537.25623	0.7
537.32971	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	537.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
61.98715	0.5
71.47841	0.5
75.00741	0.2
87.00776	5.8
108.02061	0.2
130.99791	0.4
149.06003	0.2
209.06088	0.2
215.07123	0.2
223.09756	0.3
227.07114	0.2
229.08708	0.5
235.07545	0.2
243.06613	1.0
249.05600	0.2
255.10294	0.7
264.04272	0.2
265.05014	0.2
273.05634	0.2
275.07132	0.5
276.07895	0.3
277.05167	0.5
279.06580	0.4
280.07407	0.5
287.07257	0.3
288.04315	0.2
289.05170	1.0
289.08716	0.6
290.05896	0.3
290.09521	0.4
291.06625	0.6
291.10339	0.6
292.07422	0.2
293.08292	1.4
294.09024	0.2
299.07291	0.2
300.04257	0.2
301.05081	0.7
301.08701	0.7
302.06104	0.4
302.09589	0.8
303.06693	1.2
303.10052	0.4
304.07462	1.2
304.10754	0.3
305.04526	0.5
305.07959	0.4
313.04938	0.2
313.12286	0.2
315.06732	0.4
315.10150	0.2
316.03857	2.0
317.04565	2.1
317.08279	1.1
317.11459	0.2
318.05383	0.3
318.09027	1.5
319.06238	0.6
319.09760	4.0
320.06775	0.3
320.10550	6.0
321.07529	0.2
321.11267	3.9
322.11667	0.3
326.09317	0.2
327.06580	0.3
327.10324	0.4
328.07352	0.3
328.11053	0.2
329.08069	0.9
330.05383	0.3
330.08899	0.3
331.06174	1.6
331.09775	0.4
331.13626	0.3
332.06577	0.3
333.07733	0.5
335.09280	0.4
336.10083	0.7
337.10883	5.9
338.11249	0.7
339.06653	0.2
341.11929	0.7
342.12500	0.3
343.06064	0.4
343.09750	0.5
343.13449	0.7
344.10632	0.5
345.07709	1.7
345.11444	0.5
346.08478	2.5
347.09314	0.5
348.10327	0.2
349.07108	0.3
354.09232	0.3
355.09711	0.4
357.07681	0.4
357.11472	0.2
359.13010	1.1
362.07755	0.2
369.11465	0.6
371.09253	0.6
372.10092	0.6
377.14035	0.3
387.12527	1.8
405.13513	100.0
406.13840	15.5
413.14166	0.3
431.15079	0.8
432.15399	0.3
447.14621	0.4
475.14032	3.1
476.14484	0.3
477.12027	0.4
477.19363	0.2
509.13010	0.2
537.14233	3.5
538.14191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
61.98716	1.5
70.05601	1.7
75.00766	0.5
77.90765	0.3
87.00775	4.9
88.98711	1.2
89.02306	0.4
91.01803	3.7
98.19897	0.4
108.02096	4.6
109.02850	1.1
111.71831	0.3
123.00790	1.3
135.00803	3.3
137.02354	1.4
152.01103	4.7
176.07454	0.4
187.04190	0.3
190.02649	0.4
206.99820	0.4
213.05586	0.5
240.70432	0.4
243.06664	28.1
244.07045	2.6
255.10191	0.5
263.06909	0.4
275.07272	0.4
277.05057	0.6
288.04416	0.4
289.05164	0.7
290.06265	0.4
290.09436	0.6
291.06625	0.6
293.08359	0.9
301.05167	0.8
302.06006	0.6
302.09537	0.8
303.06653	1.0
303.10123	0.4
304.07477	1.2
315.06693	0.5
316.03970	2.0
317.04617	2.1
317.08301	1.3
317.11691	0.5
318.09103	1.4
319.09796	3.7
320.10559	5.8
321.11148	2.7
329.08377	0.7
331.06210	1.4
333.07700	0.5
337.10846	5.2
338.11288	0.4
341.11942	0.7
343.09793	0.6
343.13510	0.9
345.07770	1.7
346.08386	1.8
357.07617	0.6
358.11954	0.4
359.12830	0.7
369.11475	0.8
372.10019	1.0
377.13992	0.4
387.12421	1.0
405.13531	100.0
406.13846	15.0
406.19296	0.5
431.15164	0.7
475.14127	3.6
528.53857	0.5
537.15088	4.4
537.23785	0.5
538.15936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.9
57.03322	2.5
59.01265	23.1
60.01601	0.6
60.12778	0.6
61.98713	7.5
65.36215	0.7
65.97144	0.7
68.99707	0.7
69.03329	2.0
71.00913	0.8
71.01274	12.1
71.55779	0.9
72.99194	2.0
73.02821	2.3
75.00758	7.6
80.50459	0.7
80.87188	0.7
83.01278	1.0
83.04881	0.8
85.02841	8.8
87.00771	14.2
88.98663	1.0
89.02338	4.5
93.03336	1.2
95.01263	2.5
96.95920	0.9
99.00771	3.7
101.02335	4.0
103.00279	0.9
107.04916	0.6
113.01638	1.0
113.02356	11.5
113.03510	0.8
115.00261	2.1
119.03452	1.1
119.04920	0.9
121.01984	1.2
121.02869	24.1
123.04384	1.4
129.01906	0.8
131.03456	0.8
135.04404	1.7
137.02403	1.0
139.11203	1.4
147.04433	1.9
149.02341	1.0
149.04463	0.7
149.05984	1.5
159.04471	1.2
161.04443	1.9
161.05756	0.7
163.03960	1.4
164.04774	0.7
167.03313	0.6
175.03868	1.5
177.05510	1.5
183.10214	2.5
188.53789	0.6
189.05544	1.1
190.02748	1.7
193.03462	1.8
199.07611	0.8
205.05046	1.6
214.06331	2.0
225.05682	0.7
229.08752	3.6
237.09232	2.0
239.07005	1.1
241.08701	1.6
249.06160	0.9
253.08882	1.2
255.10294	21.8
256.10559	0.8
265.05185	0.9
265.08688	1.8
266.05771	0.7
267.06732	0.8
275.07306	1.1
277.08710	0.8
280.07492	0.8
281.04596	0.9
281.08182	2.0
289.05115	1.1
289.08780	0.9
291.06802	1.4
291.10114	0.7
292.07260	1.0
293.08237	9.8
294.08783	3.1
295.06241	0.8
296.07022	4.3
296.09912	0.8
301.05249	1.5
301.08609	0.8
302.09430	1.0
303.06787	3.1
303.09927	0.8
304.07239	1.1
305.04285	0.8
307.06268	0.8
309.07739	2.0
310.08444	1.8
311.09253	3.8
314.06021	0.8
315.06659	1.2
316.03818	1.6
317.04483	4.2
317.08322	2.8
318.05447	1.0
318.08875	3.3
319.06274	1.1
319.09756	4.4
321.07608	1.8
322.08301	0.9
324.06567	1.8
325.07486	0.7
327.06696	1.1
327.10410	0.8
328.07245	0.9
328.10880	0.9
329.04431	1.5
329.08139	1.6
330.05255	1.0
330.09064	0.8
331.06042	3.7
331.09680	1.1
332.06781	0.8
333.03857	0.9
333.07642	2.0
335.09317	1.6
336.09912	0.7
337.10886	2.1
341.11734	1.0
342.07605	1.1
343.05975	1.3
343.09766	1.5
343.13492	1.2
344.06876	1.1
344.10635	1.7
345.07855	2.6
345.11588	1.1
346.08514	7.0
347.09238	1.5
353.08813	1.2
354.09232	1.0
355.10114	1.0
357.07684	2.5
359.12753	3.7
363.08820	2.8
364.09424	1.1
369.11313	3.6
371.09677	5.2
372.10062	4.6
373.10590	1.3
375.17316	0.8
377.13968	8.1
378.14426	0.9
381.09717	2.2
387.12454	19.0
388.12784	2.2
395.13385	1.0
405.13553	25.7
406.13889	4.4
413.14120	1.0
429.13620	1.0
431.14941	3.0
433.13184	1.4
447.14471	8.8
448.14719	1.0
475.13962	13.3
476.14230	2.3
477.12039	19.7
477.30573	1.2
478.12308	2.9
493.15262	2.3
519.13110	1.8
537.14008	100.0
537.20190	19.8
537.31561	2.3
538.13947	16.3
538.20654	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	535.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40513	0.4
55.01772	1.6
57.03332	1.9
58.00482	0.8
59.01266	67.4
60.01622	0.8
61.98709	1.6
69.03365	0.5
69.35943	1.5
69.36369	2.7
71.01272	18.3
71.04910	0.5
72.01607	0.4
72.99210	1.5
73.02834	7.1
75.00778	1.6
83.01273	3.8
84.80542	0.4
85.02851	8.2
86.00046	0.4
87.00784	2.5
87.04420	0.5
88.98685	2.8
89.02337	8.6
93.03364	0.4
95.01302	1.6
96.95953	0.5
97.06512	0.8
98.20557	0.8
99.00792	2.2
99.04430	0.6
101.02347	16.1
102.72005	0.4
109.02859	0.7
111.00805	1.1
113.02362	7.5
115.00262	0.4
116.92770	0.8
119.03416	2.2
121.02839	0.7
123.04443	0.7
123.08075	1.6
125.02384	0.5
129.01921	0.9
131.03418	0.8
137.02382	0.7
139.07532	0.5
141.12718	0.6
143.03444	0.6
151.03954	0.5
156.88409	0.4
159.02936	1.4
161.04518	2.8
171.13850	0.6
179.05588	1.3
185.11841	0.5
277.21774	3.2
279.10333	0.8
295.22812	2.7
307.75443	0.4
309.11615	0.6
313.24072	1.4
319.22742	0.8
327.21786	0.6
337.23871	0.5
355.24969	2.7
356.25137	0.5
362.19586	0.5
373.26050	20.8
374.26334	2.0
387.23868	0.6
420.68301	0.6
439.27063	0.8
457.28378	2.3
475.29294	3.1
476.29752	0.5
492.47931	0.4
517.30151	1.0
535.31384	100.0
536.23969	0.9
536.31738	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03329	1.8
58.00475	1.6
59.01263	33.7
61.98707	2.3
64.39878	0.5
69.03329	3.1
69.21208	6.4
71.01268	18.7
71.63667	0.4
72.99187	2.0
73.02839	4.8
75.00770	2.0
76.42532	0.6
81.03349	1.0
83.01272	4.0
85.02840	8.2
85.03315	0.9
87.00764	2.3
89.02340	12.3
93.03372	1.2
95.01260	3.0
96.95891	0.6
97.02851	3.2
97.06429	0.8
98.20523	1.0
99.00787	1.9
99.04448	0.9
101.02346	12.0
107.01311	0.9
108.02083	3.5
109.02864	2.4
111.00783	0.9
113.02365	7.0
119.03413	3.8
119.04949	4.5
119.61791	0.5
121.02890	2.4
123.00794	9.0
123.04446	2.0
124.01590	21.5
125.02368	47.2
126.02697	1.6
129.01880	1.1
131.03430	2.9
133.02896	0.7
134.03561	0.5
135.04414	1.7
136.01599	0.7
137.02396	4.2
139.03850	0.5
141.15724	0.5
143.03430	0.9
147.04460	0.9
149.02377	7.9
149.04370	2.7
149.06123	0.7
149.99522	38.7
150.03122	2.3
151.00317	2.6
151.03900	0.9
152.01094	2.4
153.01642	0.9
161.04567	2.8
161.05809	0.9
163.03943	1.9
164.04698	4.4
165.01842	0.9
165.05550	1.4
166.99840	0.5
167.03444	3.7
168.00594	68.2
169.01317	6.5
175.00307	2.2
176.01050	0.8
177.02010	0.7
179.05612	1.5
179.07092	1.1
190.02682	7.8
191.03357	1.8
191.05368	0.9
195.06557	5.5
205.05055	8.1
206.05447	1.4
209.08127	1.4
217.01500	0.6
223.06088	3.3
224.06213	0.6
229.04997	0.8
233.71742	0.5
267.06845	0.6
285.11420	3.0
313.05637	3.4
328.13235	0.8
331.06763	15.8
332.07352	0.8
345.19385	1.0
357.26605	1.5
367.10645	1.3
369.10815	1.0
375.14548	2.1
375.27518	6.7
389.25601	0.9
405.21216	0.9
477.23489	2.4
477.30746	2.4
493.15237	0.8
507.19980	1.2
519.11407	1.2
519.31689	0.6
536.31708	0.9
537.12646	100.0
537.19318	4.0
537.26001	4.7
537.32886	49.8
538.12946	17.4
538.26068	0.8
538.33569	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	535.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.5
57.03342	6.7
58.00480	1.1
59.01266	100.0
60.01602	1.4
61.98723	3.5
69.03362	2.8
71.01271	24.1
71.04898	3.0
71.62132	0.6
72.99201	1.5
73.02833	7.7
75.00758	3.6
81.03358	0.5
83.01269	6.6
83.04915	0.8
85.02853	9.3
87.00766	3.2
89.02344	13.6
95.01301	2.5
96.95903	5.1
97.02856	0.8
97.06542	0.8
99.00792	2.3
101.02346	19.2
101.05988	1.1
102.02732	0.7
104.59747	0.6
111.00792	1.0
111.08078	2.3
113.02359	12.4
114.02689	0.7
119.03450	4.3
121.02921	1.2
123.08098	0.9
125.02409	1.3
129.01871	1.0
131.03392	4.0
135.04480	0.6
137.02406	0.9
137.09650	1.1
139.07602	2.1
139.11215	0.6
143.03464	0.9
149.02405	1.4
149.04535	1.5
150.03201	1.9
155.10756	0.7
156.22951	0.6
161.04553	3.1
165.05522	1.3
179.05611	1.8
181.15994	0.8
183.13893	0.8
185.11850	1.4
191.02011	0.7
195.06659	0.8
207.13976	0.6
215.12874	1.2
221.06767	0.7
235.17239	1.0
241.08842	2.0
247.20784	2.7
263.20142	3.6
265.21701	3.2
277.21829	1.4
281.21362	0.9
295.22855	13.8
296.23306	1.4
311.09378	0.8
313.23886	12.3
314.24393	1.0
323.46146	0.6
343.12097	0.9
355.25027	6.8
356.25464	0.9
373.26031	74.6
374.26337	9.3
379.24951	0.9
387.24167	1.4
404.41513	0.6
415.23120	0.7
431.27094	0.9
457.28226	0.8
475.29398	1.9
493.30771	0.8
517.30127	0.9
535.14178	2.3
535.24780	1.9
535.31476	44.4
536.31946	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	535.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
61.98716	42.4
71.61308	15.4
72.78948	9.7
80.42751	11.8
91.53230	11.3
96.95895	29.7
110.45921	10.6
114.02681	10.7
119.71855	10.3
149.06020	15.6
186.93973	10.6
205.15892	11.8
221.72914	10.0
234.14812	10.1
246.23097	11.9
263.20142	16.0
275.31647	11.0
414.47244	12.8
535.31995	93.2
536.31549	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	535.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40513	0.4
55.01772	1.6
57.03332	1.9
58.00482	0.8
59.01266	67.4
60.01622	0.8
61.98709	1.6
69.03365	0.5
69.35943	1.5
69.36369	2.7
71.01272	18.3
71.04910	0.5
72.01607	0.4
72.99210	1.5
73.02834	7.1
75.00778	1.6
83.01273	3.8
84.80542	0.4
85.02851	8.2
86.00046	0.4
87.00784	2.5
87.04420	0.5
88.98685	2.8
89.02337	8.6
93.03364	0.4
95.01302	1.6
96.95953	0.5
97.06512	0.8
98.20557	0.8
99.00792	2.2
99.04430	0.6
101.02347	16.1
102.72005	0.4
109.02859	0.7
111.00805	1.1
113.02362	7.5
115.00262	0.4
116.92770	0.8
119.03416	2.2
121.02839	0.7
123.04443	0.7
123.08075	1.6
125.02384	0.5
129.01921	0.9
131.03418	0.8
137.02382	0.7
139.07532	0.5
141.12718	0.6
143.03444	0.6
151.03954	0.5
156.88409	0.4
159.02936	1.4
161.04518	2.8
171.13850	0.6
179.05588	1.3
185.11841	0.5
277.21774	3.2
279.10333	0.8
295.22812	2.7
307.75443	0.4
309.11615	0.6
313.24072	1.4
319.22742	0.8
327.21786	0.6
337.23871	0.5
355.24969	2.7
356.25137	0.5
362.19586	0.5
373.26050	20.8
374.26334	2.0
387.23868	0.6
420.68301	0.6
439.27063	0.8
457.28378	2.3
475.29294	3.1
476.29752	0.5
492.47931	0.4
517.30151	1.0
535.31384	100.0
536.23969	0.9
536.31738	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86220	0.3
55.01742	0.4
57.03328	0.7
58.00478	0.6
58.02842	0.3
59.01267	21.7
61.98725	1.4
69.55653	0.5
69.56062	2.0
71.01270	13.0
71.98127	0.3
72.99192	1.3
73.02842	2.3
74.45955	0.2
75.00756	1.0
80.88727	0.3
83.01264	0.8
85.02840	3.2
87.00805	1.3
87.04402	0.4
89.02338	21.0
90.02695	0.4
93.48611	0.3
95.01270	1.2
99.00756	0.5
101.01711	0.6
101.02351	8.7
107.03336	0.3
108.02058	0.5
108.04420	0.6
109.02893	0.5
109.35265	0.3
113.02361	7.4
113.03511	0.4
114.01886	0.7
119.03416	10.4
121.02858	0.7
121.60464	0.3
123.04556	0.3
123.41526	0.3
125.02337	0.8
129.10231	0.6
131.03407	1.0
131.04480	0.4
134.03650	1.1
135.04445	3.4
143.03418	2.0
143.04904	0.3
145.02896	4.6
146.03679	0.6
149.04573	1.3
149.05998	0.8
150.03125	0.4
150.05560	0.4
151.03931	0.4
153.01878	0.4
159.04463	1.0
161.02295	0.3
161.04514	2.2
163.00302	0.4
165.05486	0.3
168.11409	0.3
179.05576	4.9
179.07042	0.3
185.06105	0.4
186.12335	0.5
187.03896	0.3
193.05038	0.3
195.06525	0.4
197.06041	0.6
209.08078	0.6
209.09885	0.3
210.12489	0.5
211.07678	1.6
213.05522	0.3
224.04773	0.7
225.05618	1.3
225.09201	0.9
225.11340	0.3
227.03513	0.5
227.07126	1.8
228.72252	0.3
235.07587	0.9
237.05702	0.5
237.09238	0.4
238.06358	1.2
239.07156	5.9
241.05301	0.4
249.05597	0.8
249.91783	0.3
250.06377	0.7
251.07124	0.6
252.04269	0.4
252.07851	0.8
253.05125	2.6
253.08748	3.9
254.05942	0.3
254.09122	0.4
255.03151	0.4
256.03470	0.4
257.03589	0.5
263.07196	2.7
264.07877	2.3
265.05127	0.4
265.08704	2.4
266.05862	1.8
266.09308	0.9
267.06680	23.0
267.09995	1.0
268.07224	2.8
269.04529	0.8
269.07828	0.4
271.06204	0.6
273.17166	0.3
278.09323	0.3
279.06738	0.8
279.10327	1.2
280.04358	0.5
280.07486	9.7
281.08240	17.7
282.08734	2.1
283.05661	0.4
284.03439	0.5
285.04028	1.2
285.07620	0.3
286.04062	1.3
287.04761	0.4
295.09808	17.5
296.10504	6.4
297.07883	0.4
297.11072	0.7
307.06494	0.3
308.07230	0.3
310.08453	1.6
311.09314	1.1
311.12958	1.4
312.10083	0.8
313.07239	0.5
313.10605	0.5
322.08609	1.1
323.09351	1.8
324.09857	0.7
325.07260	3.2
325.10742	0.4
326.07520	0.6
328.09506	0.8
330.03937	0.4
337.11017	0.7
339.08609	0.6
340.09583	44.4
341.09930	5.5
343.12054	0.5
343.21344	0.6
354.11087	0.3
355.11945	100.0
356.12286	11.5
373.13144	1.1
373.26132	0.8
375.20560	0.5
376.20877	0.5
385.12790	0.3
403.23422	1.0
415.23474	1.6
433.24167	0.7
475.25900	1.0
490.23279	0.6
491.10965	1.2
491.23373	1.4
535.11359	0.5
535.18335	2.9
535.32159	4.2
536.18457	0.7
536.31610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1854
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
50.20569	0.2
55.01751	0.4
57.03307	0.4
57.85992	0.2
58.85080	0.2
59.01266	10.8
59.01541	0.7
61.98722	1.3
62.21155	0.2
71.01269	5.3
72.99146	0.8
73.02836	3.2
75.00761	0.5
75.72511	0.2
83.01234	0.9
84.52345	0.3
85.02841	2.5
87.00742	0.6
89.02332	2.7
93.03297	0.9
95.01210	0.8
99.00750	0.4
101.02355	3.0
108.01524	0.2
108.02066	2.3
109.02810	0.7
113.01666	0.4
113.02349	4.7
116.15878	0.2
116.70399	0.2
119.03374	0.8
121.02869	11.8
122.03602	0.2
123.04443	2.6
125.02264	0.3
134.03635	0.8
135.04477	1.6
137.02342	0.7
143.03381	0.3
145.02879	2.0
146.03561	0.4
147.04457	2.2
149.04472	0.2
149.05980	1.0
152.01076	0.7
159.04460	0.6
160.05217	0.3
161.04420	1.1
161.05801	0.4
162.06757	0.8
163.03934	0.3
167.03386	0.8
175.03999	0.3
175.07574	0.7
177.05527	0.6
179.05473	0.6
193.05078	1.3
194.05772	1.0
197.06052	0.5
205.04947	0.4
209.06201	0.5
209.08037	0.4
211.07552	0.7
212.04701	0.3
219.06612	0.3
223.07700	0.3
224.08395	0.3
225.05569	0.8
225.09244	0.9
226.06337	0.7
227.07120	1.0
233.06100	0.3
237.05504	1.6
237.07719	0.9
238.06157	0.8
239.07132	2.4
240.04308	1.6
240.07805	0.3
241.05064	2.2
241.08757	1.5
251.07147	1.4
252.07822	0.9
253.05051	2.0
253.08757	2.0
254.05887	1.6
255.03548	0.3
255.06653	5.3
256.03564	0.4
256.07202	0.8
257.03568	0.4
257.08154	0.5
263.07254	1.2
264.07819	0.9
265.05203	0.3
265.08667	1.4
266.05914	0.6
266.09460	0.3
267.06686	10.2
267.10193	0.9
268.07419	4.7
269.08221	22.7
270.08643	2.5
271.09863	0.3
272.06888	0.5
278.09521	0.3
279.06537	0.5
279.10327	0.4
280.07446	3.8
281.08258	7.0
282.08731	1.3
283.09811	14.5
284.03293	0.3
284.10489	6.1
285.03864	0.6
285.10901	0.4
286.04074	0.7
293.08105	0.3
294.09406	0.3
295.06174	0.9
295.09772	6.5
296.07053	0.4
296.10382	2.6
297.07797	0.4
297.11172	0.5
298.08453	0.7
299.09421	0.5
299.12906	1.8
310.08569	1.6
311.09323	15.8
312.09824	2.0
313.10666	0.3
322.08420	0.5
323.09366	0.9
325.07181	1.6
325.10889	1.6
327.08838	0.5
328.09564	6.5
328.13187	0.5
329.10010	0.5
337.10968	0.7
339.08865	0.7
340.09583	17.7
341.09964	2.3
342.11118	0.4
343.11920	100.0
344.12286	11.2
354.63464	0.3
355.11938	52.5
356.12286	6.3
357.13400	1.5
367.10925	0.2
369.13602	0.3
373.09433	0.5
373.13025	14.5
374.13232	1.7
385.12943	4.0
386.13370	0.4
397.13062	1.6
415.14420	0.6
415.23389	1.1
433.24805	0.5
491.10663	1.3
535.13171	0.4
535.19989	0.3
535.24084	0.4
535.31519	3.7
536.31995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08789	0.4
57.03317	0.8
58.00461	1.1
58.05157	0.5
59.01262	23.2
61.98694	1.1
69.37045	2.8
69.37453	0.9
71.01268	12.4
72.99186	0.9
73.02820	2.3
75.00776	0.9
78.36761	0.4
83.01250	0.5
85.02838	3.0
87.00772	1.2
87.04416	0.6
89.02332	20.5
90.02682	0.8
95.01252	0.9
99.00778	0.8
101.02341	9.7
103.26421	0.4
109.02873	0.6
113.02353	6.9
114.01846	0.6
119.03416	9.9
125.02339	0.6
131.03413	1.5
131.04491	0.7
134.03685	0.9
135.04430	3.1
143.03397	1.2
145.02895	3.8
147.04514	0.5
149.04420	1.1
149.06023	0.8
159.04471	0.6
161.04538	2.3
179.05568	4.6
193.05013	0.5
197.05984	0.7
209.11757	0.5
211.07655	0.8
225.05624	0.9
225.09178	0.6
227.07153	1.6
235.07645	0.8
237.09190	0.9
238.06313	0.6
239.07144	3.3
243.20618	0.5
249.05591	0.9
251.07098	0.9
252.07954	1.3
253.05093	1.5
253.08800	3.3
254.09148	0.5
263.07233	2.3
264.07928	1.4
265.05621	0.5
265.08597	2.0
266.05908	1.9
266.09286	0.8
267.06674	19.2
267.09583	0.7
268.07190	2.8
279.06662	0.8
279.10278	0.8
280.07455	8.5
281.08252	16.1
282.08649	2.1
284.03497	0.4
285.03845	0.8
286.04211	1.5
294.09024	0.5
295.09787	15.5
296.10513	7.4
308.06924	0.8
310.08511	1.7
311.09344	1.1
311.12994	1.2
312.10156	1.2
322.08548	0.9
323.09201	2.4
324.09879	0.8
325.07153	3.4
331.04565	0.5
340.09564	42.1
341.09998	4.8
343.11874	0.8
355.11932	100.0
356.12341	10.2
358.10074	0.4
373.13135	1.1
373.25888	1.3
376.20792	0.6
403.23520	1.5
415.23419	2.6
431.22290	0.5
433.24582	0.8
475.25668	1.5
490.23383	0.7
491.11115	0.8
491.23474	1.1
535.11041	1.1
535.18518	3.3
535.32007	5.6
536.31836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02090	0.2
51.02295	0.4
52.28186	0.2
55.01773	0.3
57.03342	0.4
58.00483	0.3
59.01266	6.5
60.75773	0.2
67.01800	0.3
68.99728	0.2
69.03339	0.4
71.01271	9.1
71.36011	0.5
72.99205	0.8
73.02845	1.6
78.02799	0.2
79.01794	0.3
81.03355	1.3
83.01283	0.9
85.02844	2.8
87.00774	0.7
89.02344	8.3
95.01315	1.0
96.95930	0.5
97.02855	0.5
99.00777	0.7
101.02352	3.6
107.01266	1.5
113.02370	2.6
115.00249	0.4
119.03400	1.0
123.00802	1.4
125.02380	3.7
129.01837	0.2
131.03450	1.9
137.06029	0.4
138.74306	0.2
139.03946	0.3
143.03473	0.4
149.03343	0.3
149.04509	4.8
151.00317	14.1
152.00674	0.7
159.02943	0.4
161.04488	1.2
166.02679	76.7
167.03014	3.2
175.02473	0.6
179.05560	0.2
181.05037	100.0
182.05377	5.0
191.05551	1.1
233.06683	0.6
251.29335	0.2
254.82343	0.2
267.07248	0.4
293.08865	6.1
294.09021	0.3
373.22235	1.0
510.23761	0.2
535.20044	0.7
535.27704	4.5
536.28040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.7
60.02529	0.3
65.35157	0.3
70.62133	1.2
70.62485	0.3
71.01265	4.4
72.99188	0.3
74.02377	0.4
75.00758	0.7
82.98491	0.4
85.02835	1.3
87.00777	0.8
87.20044	0.3
89.02337	1.3
91.56045	0.4
96.95908	2.1
97.96836	0.3
101.02342	1.1
108.02084	4.2
109.02863	9.6
111.00769	0.8
113.02339	0.5
115.00285	5.8
121.02886	1.1
122.03654	17.0
123.00790	0.7
123.04456	0.3
124.01588	10.0
131.03384	0.6
133.02879	18.7
135.04425	2.0
136.01631	0.7
137.02374	4.1
145.02950	0.5
146.03687	1.5
147.04456	10.2
148.05243	9.2
149.04529	0.8
149.05931	0.6
154.02679	4.7
160.04050	0.4
160.05193	1.9
161.04790	0.4
161.06042	9.7
162.06546	0.4
163.03957	2.3
163.07457	0.4
175.02422	1.7
175.03908	0.5
179.03500	1.3
191.01939	0.4
213.05611	0.9
241.05067	2.7
242.05872	17.9
243.06189	1.4
251.07069	0.5
254.05760	0.6
255.06676	2.7
256.07401	1.5
257.08237	17.8
258.08545	1.4
268.07486	1.0
269.08234	4.2
270.09018	19.8
271.09439	1.7
283.09750	4.3
284.10571	1.0
285.11383	100.0
286.11737	10.0
293.08939	0.4
311.09430	1.2
329.10324	9.6
330.10699	1.0
373.09381	5.6
374.09375	0.6
419.13324	1.7
420.14182	0.4
445.70868	0.4
491.15820	0.4
535.14685	68.1
536.15021	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	534.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03326	3.2
59.01267	52.2
61.98713	1.8
68.37108	1.3
68.99698	1.7
71.01269	22.1
71.51485	1.4
71.51820	1.4
72.99197	8.0
73.02869	1.0
73.42789	0.9
73.86797	1.0
74.02347	1.0
75.00765	17.2
78.86977	1.1
83.01263	2.5
84.02077	1.5
84.04440	2.5
85.02843	30.9
87.00768	9.0
89.02345	9.2
92.67877	1.2
94.02850	1.2
95.01273	4.2
96.00737	0.9
96.95901	5.5
97.01595	1.6
99.00789	12.1
99.04383	2.5
101.02368	3.2
103.00328	2.6
110.02380	3.1
112.03960	21.3
113.02362	27.4
115.00297	3.0
117.01829	3.2
117.05500	16.6
122.06033	2.6
122.10365	1.0
124.03974	13.6
126.61056	1.1
127.03894	1.0
129.01825	3.8
131.03435	2.2
140.07086	4.6
147.02881	1.6
149.04593	1.5
151.00343	5.9
157.01395	1.5
160.03970	6.2
161.04335	2.8
166.02715	25.5
166.05023	33.8
167.05424	1.4
175.02461	4.3
180.02919	1.4
181.05032	35.6
184.06123	16.9
191.01936	1.4
193.03528	4.7
209.03091	1.5
231.05128	2.6
249.03664	0.8
249.06203	25.9
250.06523	1.7
267.07242	6.9
285.11597	1.2
291.07339	1.2
300.11203	1.6
309.08353	7.3
349.11426	5.8
367.12585	30.3
368.12848	3.6
416.12091	2.7
434.13040	5.3
476.14090	7.2
516.17517	3.6
534.18457	100.0
535.18860	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	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03337	6.0
58.00475	1.5
59.01263	51.6
60.01596	0.6
60.99200	0.7
61.98712	2.4
62.46939	0.6
67.01781	0.9
68.99689	1.5
69.03343	5.6
70.52762	1.5
70.53153	1.0
71.01266	19.8
71.04909	1.6
72.99187	6.9
73.02830	4.8
75.00760	23.8
83.01275	2.5
85.02841	21.2
87.00774	8.1
89.02333	9.1
93.03365	0.8
95.01290	4.6
96.95903	2.3
96.99214	1.0
97.02860	0.7
97.06480	0.8
98.96285	0.7
99.00784	11.0
99.04402	2.5
101.02338	5.8
103.00263	2.5
109.02839	0.9
111.00811	1.2
111.08076	1.3
113.02357	23.5
113.06000	2.0
115.00265	2.4
117.01830	3.4
117.05503	5.0
119.03404	1.1
121.02896	2.9
121.43282	0.6
125.02393	1.5
128.03418	0.7
129.01868	2.2
131.03410	1.2
135.04472	0.9
139.11220	8.0
147.04445	1.2
149.04509	1.4
150.03078	0.6
157.01373	0.7
157.06192	0.8
157.08629	1.0
159.04327	0.6
161.04523	0.5
163.03868	0.5
164.04733	0.9
175.02495	3.4
175.03781	0.6
183.10233	13.9
184.10576	0.7
193.03537	2.4
193.05057	0.6
209.08102	0.9
223.13474	0.6
231.05150	1.3
239.07135	1.1
240.04314	0.8
240.07982	0.9
249.06197	9.4
253.08737	0.9
255.03056	0.9
267.07104	3.2
268.07327	0.9
269.08340	0.8
269.14066	0.9
270.08936	0.6
281.08365	2.1
283.09698	0.7
284.06866	0.8
284.10532	1.2
285.11523	0.7
293.08633	0.7
296.10464	1.3
297.07846	1.5
297.11200	1.4
299.09195	0.7
299.12836	1.6
309.08142	3.4
314.11801	1.0
320.09555	0.7
325.09793	0.8
329.14084	2.0
337.07010	1.0
349.11444	1.0
353.06723	2.1
367.12540	4.7
368.12811	0.8
371.11191	2.5
371.24283	3.0
383.11591	3.0
385.11581	1.2
401.12555	1.3
428.15005	1.0
433.17242	7.2
434.17575	0.9
443.17236	2.6
446.15814	1.1
455.17407	1.7
458.16034	1.2
461.18268	3.4
473.18201	9.6
473.28409	0.8
474.18744	1.4
475.18298	12.5
476.17966	1.9
491.19321	6.4
492.19769	0.7
503.19473	6.3
504.19693	0.8
515.20923	5.6
516.21161	1.0
533.22510	100.0
533.29205	4.3
534.22784	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	533.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.5
55.25650	0.7
57.03334	3.4
58.00466	1.1
59.01265	68.5
60.01613	1.2
61.98724	4.3
63.25286	0.7
69.03344	2.3
70.39145	2.8
71.01270	29.6
71.62386	0.7
72.99204	6.7
73.02842	6.3
75.00763	100.0
75.91894	0.7
76.01112	0.8
83.01287	2.9
85.02840	19.7
85.03961	2.8
87.00774	5.1
89.02339	28.1
95.01308	3.5
96.95894	0.7
97.02895	1.3
99.00773	6.0
99.04427	1.6
101.02351	13.6
103.00240	1.4
111.00751	1.0
113.02351	16.1
117.01813	1.5
117.05503	6.2
119.03418	2.5
119.04955	1.5
121.02895	4.2
125.02362	2.8
128.03410	4.1
129.01826	1.1
131.03397	5.1
135.04442	1.1
139.11252	1.8
143.03406	1.3
146.03651	2.3
147.04456	0.7
149.04492	15.4
157.06068	2.0
159.04462	1.8
160.04004	3.2
161.04486	2.5
163.03897	1.3
164.04710	2.2
175.02425	1.5
179.07021	4.0
179.10802	0.8
180.06584	1.1
183.10175	2.4
191.01994	1.0
191.05553	2.2
193.03479	1.1
196.07286	1.4
202.13202	0.7
209.02951	1.3
214.08759	0.8
225.15088	0.9
227.13025	1.8
249.06221	4.5
250.06549	0.7
251.07185	1.2
255.03011	1.5
255.06631	1.6
257.30353	0.8
263.07187	1.4
264.08038	1.0
267.06866	1.3
268.07434	2.0
269.08228	3.3
269.14044	0.9
270.08902	2.4
279.06726	1.8
280.92468	0.7
281.08240	9.8
282.08945	2.3
283.09766	2.8
284.03290	1.5
285.04135	1.8
293.08945	4.9
295.06088	1.0
296.10724	1.2
297.07581	0.9
297.11600	0.8
299.09360	3.1
300.09866	1.3
302.08066	1.1
309.08041	1.3
311.09821	1.2
313.10703	0.7
314.11676	5.8
315.12277	2.9
322.08356	0.9
323.05658	1.8
329.14032	8.7
338.08200	1.7
341.10254	2.2
343.11981	2.1
349.11197	1.3
353.06592	1.3
353.10397	12.4
354.10690	1.2
367.12720	3.5
370.59003	0.7
371.11304	1.0
413.21689	1.0
433.17276	1.7
458.15640	3.0
473.18228	31.9
474.18546	4.8
475.18094	3.0
476.17026	5.0
489.10602	1.0
491.19379	28.3
492.19727	3.9
515.21838	1.0
533.21869	54.0
534.23560	10.7
553.34833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08408	0.7
57.03334	7.9
59.01265	10.5
69.36176	6.3
69.36581	1.4
71.01269	6.7
72.99191	1.3
73.02813	1.0
75.00760	2.1
83.01292	1.1
84.02042	1.0
84.68029	0.7
85.02845	60.8
87.00777	1.9
89.02334	5.0
93.03354	1.6
96.95928	1.6
98.20592	1.8
101.02336	2.7
103.00268	1.5
111.00784	0.9
113.02366	1.4
117.03377	5.8
119.03423	0.7
121.02882	3.6
124.35361	0.9
129.01866	9.2
130.02174	0.9
131.03438	0.9
135.04436	2.7
145.17065	1.0
147.02946	13.9
147.04190	1.4
147.04504	1.2
149.02434	1.3
149.04500	2.9
149.06000	2.2
153.05452	0.9
159.04454	2.9
161.02379	2.9
163.03915	1.7
164.04865	3.7
173.00877	1.2
173.06010	1.9
175.03885	1.7
177.05521	1.8
179.03485	1.0
179.07077	3.9
189.05598	0.8
191.00227	1.5
191.01953	22.9
191.03468	1.4
191.05559	1.1
192.02324	1.3
197.06247	0.8
203.03551	1.6
205.05043	0.9
209.03026	3.5
217.05090	1.1
221.04456	1.2
241.05038	1.0
251.07079	0.7
253.08705	1.0
255.41641	0.8
266.05994	0.9
267.06769	3.3
268.07471	1.7
281.04449	0.8
281.08237	2.2
282.05646	1.6
282.08975	5.5
283.06274	3.6
283.09409	0.9
293.04642	0.9
295.06192	5.9
296.06897	2.9
297.07733	22.0
297.11368	6.9
298.08002	1.8
298.11945	1.0
307.06250	2.8
309.07614	3.6
311.05673	3.3
321.07895	0.9
323.05783	4.6
323.08923	1.0
324.06204	1.5
325.07230	8.5
328.05978	4.8
335.05731	2.7
337.07260	4.1
341.10266	3.0
353.06750	35.4
354.07007	2.8
355.08191	1.5
356.05466	1.3
365.06689	6.2
366.07239	1.1
368.13217	1.0
379.08255	1.1
383.07864	27.9
384.08118	2.7
395.07770	2.9
407.07968	1.0
413.08954	4.3
425.08887	2.8
443.09930	9.2
444.09946	1.1
448.13083	0.8
455.09702	0.8
473.10861	3.2
515.11957	1.1
533.13116	100.0
534.13409	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	533.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.2
64.85957	0.3
70.96658	0.4
71.01266	1.5
71.40591	0.7
73.02840	0.5
83.01289	0.5
85.02856	1.7
89.02349	0.5
91.05473	0.5
93.03361	1.4
96.95911	0.4
101.02395	0.3
113.70580	0.4
117.03362	4.2
119.04909	0.7
123.04462	0.4
126.70053	0.4
131.04973	0.5
135.04472	1.9
147.04510	0.5
149.02400	1.0
149.06075	0.4
159.04527	0.7
161.02435	1.9
163.03973	1.3
173.02477	0.4
175.03947	1.5
177.05519	0.9
187.03975	0.4
189.01907	0.6
190.02655	0.4
191.01942	0.4
191.03467	1.5
203.03445	1.0
205.05197	0.5
217.05090	0.5
221.04503	0.7
224.08336	0.6
233.04559	0.7
238.06274	0.5
251.07195	0.5
253.05104	0.4
253.08754	0.6
254.05989	0.5
267.06870	0.7
268.07401	0.8
281.04565	0.8
282.05353	1.6
283.06168	4.0
293.04581	0.7
295.06116	4.4
296.06900	2.4
297.07751	16.2
298.08115	1.3
307.06012	1.8
309.07690	2.1
311.05682	4.7
314.04550	0.6
322.04739	0.5
323.05695	3.9
324.06210	1.0
325.07214	7.7
326.07565	0.6
327.08633	0.5
328.05884	3.5
335.05618	1.3
337.07224	3.4
341.06586	0.9
351.05301	0.7
353.06726	37.5
354.07086	3.7
355.08334	1.2
356.05188	0.9
365.06705	5.3
366.07089	0.8
377.06525	0.4
379.08084	0.9
383.07785	27.2
384.08234	2.8
389.06760	0.5
395.07724	3.5
397.09387	0.7
407.07800	1.3
413.08865	3.6
414.09222	0.5
425.08859	2.5
437.08905	0.6
443.09924	14.0
444.10239	1.8
455.09848	1.4
458.23972	0.4
458.79166	0.5
469.33746	0.3
473.11069	5.5
474.11417	0.8
485.10989	0.5
491.82413	0.4
515.12018	1.3
533.13116	100.0
534.13525	14.1
534.20374	0.2
548.28375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82513	0.7
53.97867	0.8
59.01268	13.4
61.98732	1.0
63.12298	0.8
69.28141	8.6
71.01270	5.0
72.23129	0.6
73.02837	1.5
75.00766	1.6
81.03349	0.8
81.50198	0.8
83.01295	1.3
85.02842	2.5
87.00766	1.1
88.98707	6.7
89.02356	2.3
93.03374	1.7
93.38162	0.7
95.04940	0.9
97.02808	0.8
98.19738	1.3
101.02357	2.3
102.92289	0.7
107.01305	2.1
109.02847	0.8
113.02361	2.7
119.03367	0.9
121.02843	1.2
123.04457	1.5
125.02367	0.9
125.05996	1.3
132.02144	1.1
135.00835	1.4
135.04366	0.8
135.68228	0.8
137.02399	1.8
143.62680	0.7
149.06041	1.0
151.00316	2.1
160.69341	0.8
161.04518	1.7
163.00311	2.0
164.01089	1.0
165.09129	1.0
167.03438	2.8
168.00604	2.7
169.01297	1.0
169.06374	0.7
183.04509	1.0
187.03984	1.3
189.05557	0.9
207.06599	0.8
209.04535	2.1
209.08102	1.6
211.04080	2.0
212.02350	0.9
223.99677	1.8
227.03510	28.8
228.03850	2.5
229.05095	4.7
239.03505	1.5
239.05634	1.0
251.09325	3.6
255.03041	70.7
256.03482	6.7
257.04541	4.1
263.09259	1.2
281.10367	1.0
283.02469	1.3
284.03333	100.0
285.04028	34.3
286.04510	2.2
293.10358	15.0
313.60034	0.7
323.11450	11.6
327.05157	1.3
353.12421	3.2
383.07507	0.8
389.75629	0.8
395.13431	1.3
413.14697	2.6
425.14587	1.0
447.09454	2.9
489.10486	83.6
490.10849	12.2
515.78394	0.9
533.12329	2.7
533.19385	2.9
534.12848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1311
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
59.01263	0.4
64.11449	0.3
69.47861	2.5
71.01267	0.7
79.01767	0.3
85.02833	1.1
89.73126	0.2
93.03376	0.7
100.97478	0.3
117.03359	2.0
125.33947	0.3
133.02820	0.3
135.04442	0.8
146.81042	0.3
147.02844	0.5
147.04510	0.4
149.02379	0.7
153.66914	0.3
159.04497	0.5
161.02391	1.7
163.03949	1.1
173.02309	0.3
175.03943	0.7
177.01881	0.6
177.05481	0.7
179.03427	0.3
187.03940	0.4
189.01910	0.6
191.01938	0.5
191.03482	1.3
203.03426	1.0
217.05095	0.4
221.04568	0.8
223.07829	0.3
233.04475	0.5
237.05569	0.3
245.04724	0.5
245.70979	0.3
253.08580	0.3
267.06635	0.4
268.07443	0.6
275.05670	0.4
279.06616	0.3
281.04553	0.7
282.05356	1.0
283.06171	2.7
284.06339	0.4
294.05219	0.3
295.06116	2.9
296.06927	1.3
297.07730	9.4
297.11139	0.5
298.08075	0.6
307.06256	1.0
309.07828	1.5
311.05670	3.3
321.07883	0.3
323.05685	3.3
324.06308	1.0
325.07187	5.9
328.06012	2.3
335.05792	1.3
337.07352	2.0
341.06760	1.2
351.05115	0.4
353.06720	28.6
354.07153	2.5
355.08240	1.2
356.05478	0.6
365.06735	4.9
366.06967	0.6
367.08395	0.4
379.08109	0.5
383.07785	24.5
384.08063	2.6
389.06647	0.4
395.07794	2.9
397.09387	0.4
407.07681	1.3
413.08868	3.8
414.09247	0.5
419.08380	0.4
425.08765	2.8
437.09094	0.4
443.09933	10.7
444.10373	1.5
455.09726	1.2
473.10886	5.0
474.11194	0.7
515.11969	1.1
533.13123	100.0
534.13422	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	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17933	0.2
55.01768	0.3
57.03351	0.4
58.00491	0.3
59.01265	8.6
61.98726	0.5
69.03341	0.4
70.14759	0.8
71.01271	5.7
72.99196	0.3
73.02838	1.0
83.01300	0.6
85.02837	1.4
87.00800	0.8
89.02341	4.9
89.59182	0.2
91.03946	0.3
95.01312	0.4
96.95858	0.3
97.02880	0.3
97.06551	0.2
99.00826	0.3
101.02351	6.5
107.38710	0.2
111.08076	0.4
113.02362	3.1
113.09647	0.5
119.03416	1.7
130.51448	0.2
131.03494	0.2
143.03462	0.6
145.76416	0.2
149.04594	0.2
149.06015	0.2
161.04503	3.4
167.10765	0.4
177.12820	0.3
179.05585	1.3
179.14351	0.8
191.36217	0.2
195.13893	9.2
196.14365	0.7
205.12338	0.7
205.16010	0.7
211.13374	0.6
223.13400	6.3
224.13890	0.4
228.13707	0.8
231.21173	0.3
235.08258	0.3
253.09337	31.5
254.09709	1.8
256.13208	1.3
265.21796	0.4
275.20215	6.5
276.20587	0.6
293.21298	100.0
294.21625	11.4
302.77609	0.2
492.22137	0.8
529.29120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55504	0.5
57.03339	0.5
59.01265	7.3
61.98713	0.5
63.02291	0.8
63.47543	0.5
71.37551	1.0
72.99197	0.7
75.00768	1.3
81.10012	0.5
83.01269	0.6
85.02830	2.6
87.00754	0.6
88.98697	2.3
89.02353	1.6
93.03382	1.5
101.02351	1.2
105.01837	3.9
107.01308	2.0
108.02081	0.7
109.02856	1.0
113.02358	1.2
121.02955	0.5
123.04438	0.8
125.02351	0.8
132.02109	1.3
135.00783	2.5
137.02434	0.9
143.04980	1.3
145.02899	0.9
146.16620	0.5
147.04419	0.7
151.00325	1.6
157.06485	1.2
159.04414	1.5
161.06155	0.6
163.00307	3.1
167.04988	0.9
169.06482	0.8
171.04462	0.8
173.02400	1.5
174.03149	4.3
183.04582	1.2
185.02394	0.7
185.06049	2.9
187.03955	3.6
189.05540	0.9
191.01886	0.7
191.03662	0.5
196.05228	0.9
197.06126	0.9
199.03917	1.5
201.05502	0.9
202.02693	1.9
211.03978	3.0
213.05528	1.8
214.02654	0.9
215.03503	1.6
227.03502	33.5
228.03951	3.3
228.05965	0.5
229.05051	12.3
230.05307	1.1
239.03439	1.3
240.04044	0.6
241.05115	1.9
246.72165	0.5
251.07234	1.1
255.03027	71.9
256.03470	8.8
257.04617	7.5
263.07178	0.7
265.04959	0.7
267.02914	1.3
267.06512	1.0
277.05118	1.0
279.06839	1.7
282.09128	1.2
283.02542	0.8
284.03323	91.2
285.04077	100.0
286.04437	8.2
293.08807	0.6
294.05466	0.9
294.08780	0.7
295.06140	1.1
297.11304	0.5
305.04541	1.4
308.06952	0.8
309.07556	0.8
320.06927	0.6
322.08337	0.8
323.05713	2.0
326.07935	0.6
335.09229	0.8
338.07953	2.1
341.10336	3.5
353.10403	16.1
354.10712	2.1
371.11279	3.1
383.07889	0.6
395.11118	1.1
413.12503	0.6
489.10486	49.5
490.10806	6.8
526.75659	0.5
533.16693	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	529.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00701	0.2
54.69228	0.2
54.76092	0.2
55.01780	0.4
57.03339	0.5
59.01263	8.9
61.98711	0.9
71.01272	5.7
71.40672	0.2
71.41001	0.3
72.99207	0.4
73.02839	0.9
75.00746	0.2
83.01274	0.7
85.02840	1.5
87.00766	1.0
89.02330	5.3
89.02841	0.3
95.01293	0.4
96.95916	0.3
99.00819	0.4
101.01711	0.4
101.02344	6.2
111.08097	0.5
113.02361	2.9
113.09586	0.3
119.03420	1.5
125.02307	0.2
131.03398	0.3
138.45529	0.2
143.03421	0.5
161.04503	2.9
167.10818	0.3
179.05618	1.3
179.14345	0.6
195.12074	0.4
195.13875	8.5
196.14406	0.6
205.12260	0.6
205.15955	0.6
209.11882	0.2
211.13416	0.4
223.13388	5.7
224.13757	0.5
228.13721	1.0
231.21092	0.5
235.08199	0.3
235.17018	2.1
253.09319	30.8
254.09634	1.6
256.13199	0.9
265.21756	0.6
275.20206	7.8
276.20615	0.6
293.21283	100.0
294.21613	10.5
307.18951	0.3
402.24765	0.2
483.86447	0.3
492.22058	0.8
529.27673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03322	0.7
59.01265	100.0
60.01609	1.4
61.98721	3.0
68.20860	0.4
69.03346	1.6
69.66657	2.6
71.01266	19.6
72.99197	0.7
73.02830	3.1
75.00768	0.8
78.98462	0.4
79.95673	0.6
80.96400	3.1
81.03362	0.9
82.96004	3.4
82.96793	0.5
83.01269	2.4
85.02843	5.8
87.00787	1.4
89.02338	10.7
94.98042	0.6
95.01300	0.4
96.95914	8.8
97.02836	3.1
98.20565	0.6
99.00790	1.2
101.02344	7.6
111.00812	0.5
113.02351	7.1
119.03413	1.0
123.04460	0.5
124.01568	0.4
125.02370	10.0
129.01932	0.5
131.03419	7.2
133.06520	21.7
134.06863	1.1
139.03961	0.7
141.85603	0.4
143.03445	1.8
149.04518	5.6
149.06027	2.2
152.98671	0.5
157.04929	0.4
161.04585	1.0
165.04077	0.4
173.04507	0.8
174.97252	1.9
191.05562	2.5
209.62880	0.5
225.00696	0.7
227.00502	1.2
233.06650	3.6
255.50165	0.4
257.06677	0.7
275.07767	7.7
276.08139	0.5
293.08829	12.1
335.09915	15.5
336.10211	1.1
409.15231	1.8
422.46930	0.4
427.16446	2.1
428.16687	0.5
469.17477	2.5
529.18237	12.8
529.25879	0.9
530.18958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71799	0.5
55.01779	0.8
57.03347	1.3
59.01264	100.0
60.01602	1.1
61.98714	7.8
63.11383	0.6
66.46544	0.5
69.03348	2.2
71.01270	17.9
71.61874	0.7
72.99226	1.3
73.02837	4.1
75.00781	1.4
79.95618	0.9
80.96425	1.8
81.03373	1.0
82.95996	0.8
83.01290	2.4
85.02848	5.4
87.00785	1.7
87.04451	0.8
89.02336	13.8
89.02840	1.0
95.01326	1.0
96.95913	30.2
97.02860	2.3
99.00779	1.9
99.04388	0.6
101.02352	8.2
110.02423	0.6
110.56077	0.5
112.17005	0.5
113.02348	7.3
116.92692	0.5
119.03448	0.8
121.02914	0.7
123.04459	0.6
124.08407	0.6
125.02369	6.4
131.03426	4.7
133.06519	19.6
133.73399	0.5
134.06892	0.9
137.09581	0.6
143.03491	2.2
149.04535	4.9
149.05998	1.6
151.03944	0.7
161.04570	1.7
163.11290	0.7
165.05624	0.8
173.04613	0.6
191.05644	2.4
227.00575	0.6
233.06714	3.0
234.53539	0.7
275.07751	3.7
293.08832	10.9
297.04633	0.7
303.43323	0.6
335.09888	12.4
335.13538	1.0
336.10580	1.0
337.02469	0.6
409.15320	1.6
427.16278	2.3
456.06586	0.7
469.07022	1.8
469.17703	1.8
529.18610	6.2
529.26794	2.8
530.18683	1.0
554.16003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66901	0.3
55.01762	0.6
57.03336	0.7
58.00479	0.6
59.01266	100.0
60.01604	1.1
61.98718	4.4
69.03328	1.5
69.47323	2.5
71.01272	18.1
71.04918	0.3
72.01637	0.3
72.99212	1.1
73.02834	2.9
73.03165	0.3
73.10025	0.3
75.00766	0.8
78.95784	0.3
79.95665	0.5
80.96407	0.4
81.03374	1.0
83.01281	2.4
85.02853	5.3
87.00768	4.9
88.00308	0.8
89.02338	13.2
91.81766	0.3
95.01313	0.8
96.95911	9.0
97.02858	2.4
99.00798	1.0
101.02347	6.8
113.02365	5.9
115.03933	0.4
119.03456	1.1
123.04420	0.5
125.02372	9.1
125.03258	0.6
129.01974	0.3
131.03429	6.1
131.04930	0.5
132.05775	0.5
133.06523	27.5
134.03708	0.6
134.06889	1.3
137.02443	0.4
139.04008	0.5
143.03413	1.7
149.04491	3.7
149.05754	0.4
161.02390	0.6
161.04547	0.7
161.56815	0.4
167.03453	0.5
173.04498	0.4
174.97261	0.4
191.05597	2.4
193.05049	0.5
197.75117	0.3
200.79451	0.3
233.06676	2.9
257.06754	0.7
259.07263	0.6
275.07831	4.2
293.08850	12.6
294.09271	0.8
335.09912	13.1
336.10458	0.7
374.15030	0.4
383.15341	0.5
409.15137	2.1
427.16330	1.7
464.18365	0.3
469.17261	2.4
469.23444	0.4
470.17786	0.3
529.19818	1.7
529.27222	0.8
529.67224	1.1
529.79156	0.4
530.20337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.0
69.65133	3.3
71.75563	0.4
73.60104	0.4
100.58820	0.4
103.48156	0.4
158.38551	0.4
277.21783	3.2
316.54459	0.4
517.19690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.2
59.01269	2.0
61.98720	1.0
65.83605	0.1
69.54917	0.5
69.55353	0.5
71.01265	0.9
73.02837	0.2
73.89886	0.1
75.00750	0.2
78.95783	0.4
79.95627	2.1
80.79055	0.1
83.01269	0.3
85.02840	0.4
87.00760	0.6
89.02338	0.4
96.95915	100.0
97.95856	0.4
98.19855	0.2
98.95496	0.2
99.00818	0.2
99.92554	0.1
101.02330	0.7
110.51546	0.1
113.02367	0.4
115.92000	0.2
116.92779	0.3
121.02886	0.3
125.02369	0.1
129.25291	0.1
131.03387	0.2
133.06480	0.2
149.06055	0.1
150.79382	0.1
161.04514	0.2
210.41833	0.1
227.03528	0.2
255.03049	0.7
284.03345	0.8
285.04044	0.9
290.83093	0.1
372.85986	0.1
431.09784	1.5
432.10226	0.2
529.26465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46870	0.6
52.78799	0.6
53.48218	0.6
59.01256	5.2
61.98689	0.6
69.93845	2.7
69.94266	1.4
96.95940	1.4
116.15283	0.6
141.24574	0.6
214.06360	0.8
238.10008	1.0
255.10304	2.4
266.76651	0.7
269.68689	0.7
295.06396	1.3
311.06061	2.1
326.05072	1.1
337.10901	0.8
343.05246	1.4
353.07178	1.7
357.03082	1.3
375.05713	2.4
389.10303	1.5
399.05481	0.8
400.06284	0.9
401.03342	0.8
404.05902	0.8
405.02951	1.7
431.15097	7.4
432.05450	1.0
432.15558	1.5
435.07770	1.5
439.03375	0.9
441.06229	0.9
443.03949	1.4
445.01831	1.2
447.04031	4.8
448.04260	0.9
449.99133	0.8
455.12286	0.9
460.04675	0.7
469.10040	0.9
470.06750	2.0
473.09366	1.2
487.06473	4.1
488.07758	1.0
514.06854	0.6
529.11914	100.0
529.28345	2.1
530.12238	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	527.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30663	0.8
54.78537	0.8
55.01759	1.2
57.03328	2.8
57.10485	0.7
59.01263	13.8
68.99702	1.1
69.10630	0.8
71.01271	17.0
71.37746	1.4
72.99197	4.6
73.02845	1.3
75.00766	17.0
83.01263	1.0
85.02843	22.9
87.00783	8.2
89.02343	3.9
89.12484	0.9
95.01317	4.0
99.00771	8.9
101.02351	0.9
103.00272	2.5
113.02357	30.0
115.00288	2.2
117.01846	2.8
129.01859	1.1
153.34586	0.8
157.01346	1.4
161.98357	0.8
167.85800	0.8
175.02467	3.8
205.07141	2.6
223.08191	1.2
249.06219	6.8
267.07278	7.1
277.21796	51.1
278.22116	5.8
509.27658	3.4
527.28735	100.0
528.29065	19.2
538.53082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3004
Annotation	Milbemectin
Peak:m/z	Relative Intensity
59.01258	100.0
61.98708	31.1
71.68443	17.3
141.46745	15.3
144.85947	18.0
175.54410	16.8
255.23340	18.3
273.15915	18.2
301.09662	17.9
527.29462	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.1
60.01612	0.2
61.98717	100.0
62.98447	0.2
71.01273	3.7
71.55239	0.4
72.01604	0.2
72.99211	0.5
73.02847	0.7
73.77213	0.2
75.00773	0.8
83.01304	0.2
85.02855	1.7
86.03230	0.2
87.00781	0.7
88.98719	0.8
89.02334	3.0
90.02645	0.2
95.01266	0.3
96.95932	0.7
97.02821	0.2
98.20397	0.2
99.00797	0.5
99.04416	0.3
101.02363	1.7
102.02693	0.3
108.02068	0.2
113.02355	1.7
119.03443	0.6
121.02877	0.4
123.04497	0.3
125.02427	0.3
131.03436	0.5
133.06540	0.3
135.04359	0.2
137.02420	0.2
149.02420	0.5
149.04465	1.2
149.06032	0.2
150.03152	1.4
161.04512	0.4
165.05539	1.4
175.02512	0.2
179.05641	0.2
183.13893	0.3
187.11288	0.3
195.06595	0.5
203.06009	0.2
249.06311	0.5
267.07227	0.6
296.09268	0.3
313.10721	0.2
343.12137	0.4
391.14005	0.5
499.18619	0.5
525.36316	0.4
526.18280	0.2
527.11975	0.7
527.18549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25816	0.9
55.01768	2.4
57.03338	3.0
59.01266	38.5
61.98715	18.4
69.86385	6.6
71.01271	44.5
71.01675	2.1
71.89679	1.0
72.99197	1.7
73.02836	20.7
75.00761	2.1
79.95621	1.2
81.21520	1.0
83.01275	7.7
85.02847	24.6
87.00808	3.2
89.02344	10.9
95.01301	2.9
96.95915	12.9
97.02861	2.1
98.19845	1.2
99.00784	9.1
101.02346	47.9
111.00798	2.2
113.02354	21.6
113.03080	2.0
119.03407	1.6
125.02411	2.7
129.01868	1.9
131.03427	1.9
133.39296	1.0
137.02348	1.5
138.05560	1.0
143.03455	2.7
149.02390	1.1
149.04449	1.2
159.02971	4.5
161.04501	16.0
167.03574	1.4
177.05524	1.3
194.94914	1.0
197.02013	1.7
204.27527	1.0
220.60945	1.1
254.02246	4.1
269.04559	2.2
284.06976	3.0
285.07394	1.4
335.20822	98.2
336.21201	8.0
337.07074	1.9
467.25055	100.0
468.25327	12.4
527.08972	3.3
527.17029	2.1
528.15210	3.9
528.21539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50170	0.1
57.03334	0.2
59.01261	2.0
61.98718	100.0
62.96749	0.1
62.98415	0.2
69.55044	1.2
71.01273	1.2
73.02836	0.5
75.00761	0.3
75.47448	0.1
80.96410	0.2
85.02852	0.5
87.00784	0.2
88.19466	0.1
89.02333	0.7
96.95948	0.7
97.06567	0.1
99.04443	0.2
101.02357	0.7
107.04920	0.2
113.02364	0.6
123.04434	0.1
125.02384	0.2
129.01845	0.2
134.03653	0.3
135.04477	0.7
136.04849	0.1
149.04543	0.2
150.03201	0.2
161.02417	0.1
161.04428	0.3
161.09735	0.1
165.05582	0.2
169.31165	0.2
183.13972	0.2
195.06636	0.2
262.11752	0.1
401.03546	0.1
432.15817	0.2
448.18753	0.2
466.23132	0.2
478.19702	1.0
526.19153	0.5
527.18658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	12.5
60.01591	0.9
61.98716	100.0
67.16391	0.9
69.48676	5.8
71.01269	8.1
72.99195	1.4
73.02850	2.4
75.00756	1.8
81.35685	0.6
82.09266	0.7
83.04884	0.7
85.02842	4.1
87.00761	1.8
88.98705	2.9
89.02351	5.6
98.19771	0.7
101.02319	4.9
103.00229	0.9
105.01869	1.6
111.00826	0.7
113.02346	4.7
119.03448	1.3
121.02863	1.4
125.02380	0.8
131.03429	1.0
149.04510	1.2
153.02934	0.7
157.18803	0.7
161.04550	1.9
165.05547	1.0
165.12813	2.8
178.06168	0.8
183.13870	36.4
184.14249	1.7
227.12973	3.1
253.09378	3.7
347.18817	1.2
452.18671	1.6
463.21936	53.5
463.66733	0.8
464.22217	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	526.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.1
61.98716	100.0
62.98414	0.2
71.01261	0.9
85.02849	0.3
89.02344	0.6
98.19837	0.3
101.02360	0.4
113.02379	0.3
119.03429	0.1
125.02377	0.2
126.02705	0.2
131.03403	0.2
149.04547	0.2
151.03894	0.1
161.04530	0.2
169.12325	0.3
170.12642	0.2
246.41313	0.1
250.77225	0.1
293.52258	0.1
321.81821	0.1
329.23474	0.2
337.11295	0.1
442.76990	0.1
525.34344	0.2
526.22870	0.2
526.34760	0.2
527.25018	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
59.01263	10.1
68.01284	1.2
69.67365	5.7
71.01270	13.8
73.02812	1.2
83.01300	1.9
83.02402	1.6
85.02840	2.4
87.00764	4.1
89.02332	12.6
94.02893	1.2
95.01304	1.0
96.95914	18.4
96.96877	1.4
97.02850	0.9
98.02377	100.0
98.95464	1.6
99.00790	7.1
99.01897	10.1
99.02611	1.5
101.02354	3.9
110.02391	19.8
111.00767	2.5
113.02351	4.3
119.03372	1.2
122.02391	1.3
124.03969	1.2
125.02375	5.0
129.01865	1.4
131.03410	2.8
133.06505	6.8
134.02394	1.5
140.03458	1.7
149.04478	5.2
152.03442	5.3
161.04475	3.5
164.03473	1.3
170.04533	1.6
172.07640	15.1
189.81747	0.9
233.06732	1.2
293.08917	6.6
295.11966	2.1
314.08652	1.3
332.09909	1.1
354.25586	0.7
392.65460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86951	0.2
55.01758	0.3
57.03341	0.3
58.00519	0.3
58.10379	0.2
59.01269	3.7
60.01604	0.2
61.98724	1.0
71.01270	3.1
71.63068	0.2
71.63509	0.3
72.99200	0.3
73.02837	0.7
75.00777	0.3
78.95800	3.7
79.95621	2.1
83.01289	0.3
83.02402	0.4
85.02843	1.4
87.00778	0.5
89.02339	1.8
95.01292	0.4
96.95918	100.0
96.96813	7.3
97.02886	0.2
97.95863	0.4
98.02378	11.4
99.00800	0.4
101.02340	1.4
109.02830	0.3
110.02376	1.2
111.00793	0.5
113.02357	0.9
114.88969	0.2
119.03455	0.3
123.08087	1.2
125.02381	0.6
131.03435	0.4
133.06509	0.5
136.87497	0.2
137.02322	0.2
149.04526	0.5
152.03482	0.4
153.01932	0.4
159.02893	0.2
161.04498	0.6
172.07663	1.4
187.16527	0.2
193.68262	0.2
249.06116	0.2
293.08899	0.8
362.29987	0.5
465.22940	0.3
524.35413	2.3
525.16388	0.3
525.24316	1.0
525.35486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11724	0.5
55.01771	0.9
57.03343	2.0
58.00476	4.1
59.01263	99.0
60.01599	0.9
61.98717	9.5
62.55415	0.6
69.03362	0.7
69.90112	3.1
71.01269	77.8
72.01605	1.5
72.99210	3.6
73.02835	12.5
75.00782	1.1
83.01276	3.7
83.04919	1.3
85.02842	13.4
87.00755	2.7
89.02336	100.0
90.02696	1.9
95.01275	0.8
96.95935	1.3
97.02853	1.3
99.00772	1.9
100.79796	0.7
101.02345	56.0
102.02682	1.6
111.00771	0.7
113.02361	16.4
119.03419	9.7
119.04875	1.0
125.02363	1.9
131.03423	32.8
135.04485	0.7
143.03419	2.8
149.04492	86.8
150.03094	1.0
150.04797	1.6
161.04512	4.1
163.03941	1.3
165.05498	1.4
191.05585	15.9
191.07350	0.8
192.05864	0.8
195.06662	1.1
205.03732	0.7
251.07555	0.6
281.08856	0.9
293.08823	1.8
311.09995	3.2
333.19165	0.8
345.11029	0.8
361.29678	0.7
362.30029	1.2
363.30392	0.7
377.13370	0.6
524.35382	6.2
524.86261	2.7
525.35840	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	526.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01261	21.6
61.98713	20.0
69.45182	1.7
69.45586	10.3
71.01262	14.4
72.99192	4.8
73.02837	2.3
83.01261	2.1
85.02839	4.5
89.02338	20.1
90.02657	2.0
96.95918	3.3
99.00720	2.1
101.02333	9.7
108.02031	1.5
113.02345	5.9
119.03406	3.8
125.02355	2.1
131.03421	5.7
149.04483	14.1
151.00302	7.4
163.03925	2.0
171.01501	1.3
178.99791	5.1
179.05554	3.6
191.05568	2.1
202.17870	1.4
227.03542	1.7
243.03009	5.5
255.03038	16.9
256.03336	2.3
271.02530	34.0
272.02975	3.0
299.02240	1.9
300.02802	83.3
301.03516	49.1
301.07010	2.9
302.04010	3.4
311.09583	1.5
333.18741	1.7
357.09698	2.8
361.14648	1.3
463.08905	100.0
464.09152	13.9
465.23328	5.6
466.24075	6.8
526.17719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	15.2
59.45255	0.8
59.66314	0.6
61.01699	0.7
61.98719	100.0
69.14888	0.6
69.41723	2.9
69.42154	4.1
70.71308	0.6
71.00902	1.4
71.01273	13.9
72.01621	1.4
72.99201	13.9
73.02832	6.4
74.03181	0.7
74.56525	0.7
75.00759	4.4
79.05381	0.7
83.01248	1.6
83.04944	1.6
85.02840	6.4
86.03181	0.8
87.00780	2.1
88.03989	1.0
89.02323	7.7
89.15942	0.7
95.01294	1.4
96.95933	4.2
98.19817	1.5
99.00783	1.5
101.02346	8.4
102.02673	1.5
103.24474	0.7
107.01241	0.8
111.00765	0.9
113.02350	5.3
114.02666	0.8
119.03482	1.8
119.04932	6.2
121.02911	1.0
131.03394	1.3
143.03423	0.8
146.08188	1.9
149.04510	3.0
150.03128	1.0
151.00287	3.4
159.02916	0.8
161.04503	3.8
163.00380	1.2
163.03896	3.4
165.05542	0.9
178.99852	1.6
179.05577	1.2
181.01579	0.8
191.05667	0.9
211.04121	0.8
218.10249	1.5
225.16193	0.8
226.02785	0.9
227.03543	1.1
231.03214	0.8
243.03081	3.3
255.03015	8.7
264.09225	0.8
271.02521	19.3
272.03116	2.4
291.09323	0.8
300.02814	36.8
301.03516	15.4
302.03961	1.3
331.17856	2.0
332.18127	3.0
333.18433	4.5
334.18845	1.0
393.14685	1.0
393.21661	1.8
394.21655	1.0
447.29968	1.8
448.30588	1.0
451.32913	1.7
452.33401	0.8
463.08936	42.9
464.09329	4.9
464.22531	1.5
465.22977	11.3
465.31039	7.9
466.23367	8.6
466.31427	2.8
467.32809	0.8
525.25781	0.8
526.20245	2.6
526.32092	2.0
527.18335	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99133	0.6
57.89903	0.5
59.01263	5.7
61.98706	1.2
69.03312	0.8
71.01271	1.4
71.60722	0.5
78.77835	0.5
85.02825	0.9
87.00757	0.5
89.02345	0.7
96.95937	0.5
97.06496	0.6
98.57899	0.4
109.02879	1.2
135.04407	0.7
145.06561	0.7
146.03650	1.1
147.04443	11.3
155.04982	0.7
159.04459	15.4
160.05075	1.0
161.06042	2.3
172.05246	3.2
173.06033	27.9
174.03174	0.7
174.06416	1.6
175.03954	3.8
175.07622	1.0
187.04030	0.6
187.07623	6.6
188.08139	0.7
189.05540	2.0
189.09196	5.7
201.02275	0.5
201.05539	5.2
201.09135	1.9
203.07132	1.7
204.07901	6.4
215.07147	2.9
215.10779	0.6
216.07910	47.3
217.08252	2.6
245.11852	100.0
246.12155	8.6
277.14496	17.3
278.14835	1.5
384.24252	0.5
413.10565	0.7
463.25314	0.5
523.12897	0.6
523.33795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
57.36548	0.2
59.01266	3.8
60.01598	0.3
61.98718	3.4
63.98082	0.2
71.01270	3.6
71.60550	0.2
71.60984	0.2
72.01631	0.3
72.99195	0.4
73.02834	0.8
75.00737	0.4
78.95801	3.4
79.95627	2.3
83.01281	0.3
84.01601	0.2
85.02833	1.4
87.00774	0.5
89.02342	2.8
90.02677	0.4
93.03355	0.2
96.95914	100.0
96.96809	6.9
97.95848	0.4
98.01727	0.4
98.02375	7.0
99.00790	0.4
101.02346	2.1
102.02707	0.2
110.02371	0.5
111.00775	0.3
113.02354	1.4
119.03425	0.3
121.02830	0.2
125.02316	0.2
131.03439	0.7
133.06522	0.4
134.02420	0.2
137.02397	0.4
143.03447	0.2
149.04491	1.8
149.05893	0.3
161.04500	0.6
165.05548	0.2
166.06290	0.4
172.07639	1.5
191.05522	0.3
193.64220	0.2
203.44095	0.2
229.14410	0.3
260.90646	0.2
293.08820	0.5
331.17603	0.2
331.24997	0.4
333.18713	0.3
363.18057	0.2
464.22266	0.3
465.22974	0.8
524.35376	3.2
525.22382	0.2
525.35754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	4.5
57.03330	5.5
58.00472	4.1
58.43972	1.6
59.01265	100.0
61.98708	3.4
69.03342	1.4
70.08669	5.8
70.09087	3.4
71.01272	98.8
72.01601	2.3
72.99191	5.4
73.02835	24.3
73.30523	1.3
75.00763	2.1
83.01281	11.8
85.02846	37.1
87.00781	11.4
89.02337	59.6
93.81091	1.4
95.01283	5.0
97.02834	4.3
99.00787	9.7
101.02348	61.6
111.00804	2.7
113.02361	35.9
114.02640	2.4
119.03402	12.7
125.02366	6.3
131.03426	22.0
133.16086	1.9
143.03418	6.0
149.04498	29.7
151.11209	2.1
159.02922	3.4
161.04486	27.8
165.01884	1.7
165.12805	5.0
166.02620	2.6
179.05537	4.6
183.13870	80.8
184.14244	4.4
191.05591	6.6
209.11823	1.7
221.06639	15.3
227.12955	9.9
233.06703	2.4
251.12939	2.3
293.08810	7.6
301.16638	52.8
302.16925	5.6
313.11652	1.6
323.74695	1.6
325.16745	2.1
331.17697	56.9
332.17996	4.8
353.10919	4.7
353.98889	1.8
355.17722	2.4
361.29633	6.5
463.21988	65.5
464.22412	7.0
523.14825	6.2
523.24194	9.0
523.34949	33.0
524.35071	4.1
530.38464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98963	1.0
55.01772	2.6
57.03334	5.5
58.00470	2.0
59.01265	45.4
60.01594	0.9
61.98715	5.7
69.03326	1.0
69.43848	6.4
71.01272	34.2
71.01666	1.8
72.01617	1.7
72.99197	3.9
73.02839	7.9
75.00760	3.3
83.01266	4.8
83.04887	0.9
85.02843	16.5
87.00776	2.8
89.02332	16.4
90.02651	1.6
91.03889	1.1
95.01279	3.1
96.95922	1.3
97.02866	2.0
97.75855	0.8
99.00793	3.0
101.02343	24.1
101.05985	1.0
102.01906	0.9
102.02711	2.3
111.00792	2.1
111.08079	1.0
113.02360	15.2
119.03402	5.5
121.02805	1.2
125.02325	0.9
129.39180	0.8
131.03429	2.0
143.03441	1.6
149.04515	1.4
159.02985	2.2
161.04497	5.4
165.12794	6.6
166.13101	1.1
179.05563	2.9
183.13870	100.0
184.14267	5.4
207.13898	3.0
209.11835	2.1
227.12895	9.4
228.13246	1.4
229.18140	1.3
249.15182	1.2
251.12938	3.8
263.12939	1.4
267.07129	3.5
273.20807	1.2
293.08911	1.0
301.16632	65.7
302.16983	6.1
325.16705	2.8
341.10754	1.0
355.17801	2.3
359.28204	1.5
360.28506	2.7
361.16711	2.0
361.29584	10.5
367.17804	1.8
463.22009	1.2
477.53006	0.9
522.33704	4.3
523.23688	4.0
523.34882	80.8
524.35199	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71650	0.6
55.01783	2.1
57.03336	2.7
58.00491	3.1
59.01265	92.9
60.01604	1.2
61.98726	2.4
63.22940	0.7
69.03352	1.3
70.05379	2.8
71.01270	81.7
72.01608	1.6
72.99198	3.7
73.02840	17.2
75.00758	1.6
83.01272	5.3
85.02843	18.4
86.00027	1.2
87.00787	3.3
88.98692	5.8
89.02336	100.0
89.28009	0.7
90.02688	1.4
95.01279	2.4
97.02864	0.9
99.00780	4.0
101.02346	51.6
102.02695	1.2
109.02913	0.7
111.00781	0.9
113.02355	17.1
119.03414	10.5
121.02858	1.3
122.06037	0.8
125.02393	4.0
129.01814	0.7
131.03430	32.6
132.03751	0.8
134.06033	0.7
143.03458	3.3
149.04498	68.6
150.04813	1.3
161.04510	5.2
166.06291	7.7
167.06837	0.8
170.86058	0.7
179.05580	6.9
179.07007	1.5
180.06558	1.0
181.08684	11.1
191.05574	17.0
194.77431	0.7
239.11836	0.8
251.07608	1.3
293.08801	2.7
307.10620	0.8
308.11514	1.6
311.09842	3.7
331.17639	5.8
340.10760	0.9
343.14035	17.1
344.14151	2.2
391.26877	1.3
393.24747	0.8
430.17770	1.5
448.18625	1.8
463.21948	24.8
464.21887	2.9
492.17831	4.8
523.22009	13.4
523.34772	6.1
524.20734	3.1
524.34534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2199
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.41718	0.4
55.57832	0.4
58.00467	0.4
59.01261	4.0
62.77542	0.4
64.81055	0.4
69.38451	3.2
69.38862	0.9
69.54704	0.4
71.01273	5.4
73.02842	1.2
74.26900	0.4
75.00774	0.7
83.01279	0.4
85.02840	1.8
87.00760	0.6
89.02326	2.6
93.03362	1.8
96.95914	0.8
100.33276	0.4
101.02356	2.4
108.02104	0.9
109.02851	4.7
113.02341	1.2
121.02869	13.5
122.03671	11.0
123.04427	1.9
124.01561	0.8
129.03357	0.8
131.03401	1.0
134.03664	1.1
135.04449	2.3
136.05235	1.4
137.02411	3.1
147.04427	5.6
148.05260	0.8
149.02452	0.6
149.04509	2.1
149.06024	1.0
150.03191	1.6
151.03995	0.5
154.02676	1.4
159.04558	0.5
160.42290	0.4
161.04674	0.8
161.06035	2.2
162.06854	0.9
163.04004	0.5
165.05531	26.4
166.05870	1.3
177.05441	0.4
178.06265	0.6
179.05545	0.7
179.07092	8.1
180.07767	1.2
191.07158	0.7
192.02138	0.4
195.06583	0.7
201.11143	0.5
207.64198	0.5
209.08160	0.9
223.09793	1.4
298.12247	0.9
301.10870	0.5
313.14398	0.7
315.12540	2.7
316.13132	0.6
331.15656	0.7
343.11868	1.2
343.15503	0.6
346.14258	10.9
347.14655	1.2
359.15295	0.5
361.16647	100.0
362.16962	11.7
391.14059	1.3
433.64319	0.5
463.21985	1.9
523.20911	2.1
524.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24282	0.4
55.01769	2.0
57.03340	2.7
58.00475	0.9
59.01265	23.2
69.03350	0.5
69.56569	0.4
71.01267	46.4
71.34275	0.6
71.34613	0.8
72.99185	1.4
73.02831	14.4
75.00751	1.5
75.17093	0.5
81.03362	0.6
83.01283	7.0
84.30423	0.5
85.02843	21.5
87.00762	1.3
89.01826	0.9
89.02333	8.6
92.96560	0.5
95.01276	2.6
97.02863	1.9
99.00771	6.9
101.02342	31.8
108.02131	0.7
111.00768	0.8
113.02354	18.3
114.02695	0.6
116.49097	0.5
119.03380	0.8
121.02871	2.2
121.63126	0.7
122.03644	2.1
123.04429	1.6
124.31344	0.5
125.02334	2.3
128.03415	1.0
129.01863	1.2
131.03406	2.6
133.02898	0.6
134.03683	1.1
135.04404	1.7
136.04381	0.6
136.05244	5.0
137.05989	0.6
139.99245	0.6
143.03452	2.5
149.02426	4.3
149.04460	3.0
149.06111	0.5
150.01968	1.0
150.03160	16.9
151.03970	4.0
159.02945	4.6
161.04497	24.5
162.04811	0.9
164.04681	1.6
165.05511	11.9
173.84503	0.5
180.04153	1.0
181.03313	1.2
181.05013	2.8
191.05615	0.6
194.00969	0.6
195.06606	11.9
196.06938	0.8
197.85588	0.5
283.09781	1.5
284.10526	0.9
311.09256	3.0
312.09647	0.6
331.17697	57.6
332.18054	5.5
343.11914	21.4
344.12216	2.2
355.55603	0.5
357.37701	0.6
361.16559	1.7
373.12909	0.7
391.14056	24.0
392.14282	2.5
463.21951	100.0
464.15692	0.9
464.22278	14.5
523.19244	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	523.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03337	0.8
58.00477	0.4
59.01265	100.0
60.01598	1.7
61.98717	4.1
64.16459	0.3
69.30276	2.7
71.01272	9.8
72.01598	0.4
72.99207	0.6
73.02835	2.0
75.00779	1.1
83.01289	1.1
85.02853	3.5
87.00780	0.8
87.04430	0.5
88.98698	2.1
89.02335	6.6
90.02720	0.5
91.02774	0.4
93.03342	0.3
95.01306	0.4
96.95937	0.5
99.00800	1.1
101.02343	5.9
101.05952	0.3
102.02660	0.4
104.38905	0.3
109.02863	0.8
111.00811	0.5
113.02359	3.4
114.02724	0.6
119.03427	2.1
119.04865	0.3
121.02900	0.4
123.04433	0.4
125.02393	0.4
131.03435	1.4
132.94615	0.3
135.04482	0.3
137.02464	0.3
143.03419	0.5
149.04492	2.8
149.05779	0.4
149.05965	0.4
149.28107	0.3
161.04555	1.1
179.05649	0.7
181.08678	0.3
183.14018	0.3
191.05606	0.3
222.97156	0.3
227.03529	1.0
227.12744	0.3
229.05029	0.5
229.18121	0.3
249.06270	0.3
255.03075	1.6
267.07086	0.4
284.03366	1.9
285.04071	2.2
286.08969	0.3
326.11469	0.3
331.17676	0.5
359.27820	0.4
360.28421	0.5
361.29559	1.3
375.20251	1.9
431.09973	3.1
432.10486	0.6
448.18555	0.4
463.21982	0.9
492.17892	0.5
522.33972	1.0
523.19092	0.4
523.24011	1.6
523.34833	7.3
524.20087	0.9
524.34827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.6
57.03331	1.1
58.00478	0.9
59.01264	20.3
65.05159	0.2
69.03352	0.3
69.25047	0.2
69.25375	2.1
70.87408	0.2
71.01268	16.6
72.01621	0.2
72.99201	1.4
73.02834	4.5
75.00776	0.4
83.01273	3.1
85.02836	7.0
86.00005	0.4
87.00762	1.5
89.02338	7.8
91.50944	0.2
93.03345	0.8
95.01265	1.4
96.95908	4.9
97.02866	0.3
99.00777	1.9
101.02347	11.9
108.02056	0.5
109.02862	4.0
111.00784	0.7
111.04431	0.3
113.02354	5.6
119.03427	2.9
119.04878	0.2
121.01974	0.4
121.02865	9.9
122.03654	10.9
123.04476	1.7
124.01596	1.0
125.02388	0.4
129.01883	0.3
129.03377	0.6
134.03601	1.1
135.04437	2.0
136.01593	0.2
136.05272	1.3
137.02361	1.7
138.03067	0.2
141.85011	0.2
141.93657	0.2
143.03418	0.5
146.03658	0.5
147.04451	6.1
148.05176	0.7
149.02388	0.3
149.04465	0.6
149.05997	1.1
150.03168	0.4
151.03981	0.4
153.01874	0.2
153.05637	0.2
153.99129	0.2
154.02628	1.5
159.03015	0.2
159.04388	0.3
160.05251	0.4
161.04514	1.2
161.06036	2.5
162.06750	0.7
163.03952	0.4
163.07532	0.3
163.26744	0.2
164.04700	0.5
165.05518	21.4
166.05945	0.9
173.06035	0.6
174.06819	0.5
175.07588	0.8
176.08304	0.2
176.70834	0.2
177.05554	0.4
178.06308	0.4
179.05562	0.5
179.07092	6.0
180.07433	0.4
190.06305	0.2
191.07135	1.8
192.07849	0.3
193.08667	0.5
209.08182	0.5
223.09703	0.9
240.08006	0.2
281.11923	0.2
284.51248	0.2
285.11435	0.4
286.11978	0.2
298.12201	1.2
299.12781	0.5
301.11032	0.4
313.11060	0.3
313.14453	2.6
314.14926	0.4
315.12411	1.8
316.13098	0.7
328.13193	2.1
329.13928	1.0
331.15436	0.3
331.17841	0.2
343.11615	0.3
343.15561	4.3
344.15933	0.5
345.13541	0.3
345.49982	0.2
346.14273	10.0
347.14929	3.0
348.15256	0.3
361.16629	79.9
362.16971	9.2
463.22009	1.6
508.19656	0.3
523.21930	100.0
524.22296	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	523.1045
Annotation	Flavumone B
Peak:m/z	Relative Intensity
59.01266	5.6
61.98706	1.2
65.00198	0.9
69.31644	6.1
71.01267	2.8
72.22832	0.5
85.02820	0.7
89.02338	2.6
89.63667	0.5
93.03363	2.9
96.95910	1.2
101.02329	1.3
108.02092	0.6
113.02358	1.1
117.03392	9.6
119.03404	1.1
133.02882	1.0
134.03630	0.6
135.04428	1.9
148.55832	0.6
149.02377	0.9
161.02383	3.8
161.04466	0.8
179.03587	0.5
179.05556	1.5
211.04016	1.5
224.04817	0.6
238.02815	0.5
239.03519	0.7
251.03543	0.9
253.01419	0.6
258.06528	0.6
261.05734	0.5
269.04636	1.0
273.05551	1.0
276.04230	1.0
278.05960	0.6
279.03159	0.5
279.06128	0.6
280.03986	0.8
289.05145	0.9
290.05939	0.7
301.05069	2.4
302.05719	1.9
304.03864	1.4
315.06555	0.8
317.04599	2.0
317.07855	0.5
318.05371	0.6
319.06125	0.7
326.05896	0.7
327.06461	0.5
329.04770	1.3
330.05365	1.5
343.06110	1.8
344.06818	0.6
345.04269	1.2
346.04852	11.4
347.05325	2.4
355.06265	0.9
358.04904	0.6
359.05542	0.7
361.07379	4.6
361.29553	1.0
362.07681	0.6
370.04739	2.5
371.05627	5.3
372.06476	2.5
373.07285	0.7
385.07196	0.8
386.04279	1.3
387.05106	1.0
388.05920	5.5
398.04214	1.5
399.05139	2.2
400.05981	8.2
401.06357	1.2
403.08212	3.7
413.03094	0.9
414.03406	5.9
414.08636	0.7
415.04044	0.8
421.07404	0.7
423.08627	0.8
429.06174	4.2
430.06866	1.2
431.24686	1.2
440.09192	0.8
447.08661	0.7
463.08521	0.7
491.07825	1.5
495.11783	0.8
507.07379	1.5
508.08078	3.2
509.08652	1.3
523.10461	100.0
523.29053	3.9
523.35315	1.9
524.02887	1.0
524.10803	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	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.4
58.00480	3.6
59.01264	100.0
60.01600	1.5
61.98715	4.1
69.03357	1.3
70.45759	3.0
71.01270	63.7
71.04920	0.7
72.99207	3.9
73.02840	11.8
75.00746	1.1
83.01279	5.6
85.02843	12.0
86.00031	0.8
87.00741	3.8
89.02336	70.1
90.02653	1.3
95.01302	3.2
97.02888	1.4
99.00784	2.6
101.02347	36.2
101.05961	0.8
111.00826	1.2
113.02358	20.9
119.03418	19.4
119.19959	0.7
125.02361	2.8
131.03429	15.2
137.02446	0.9
143.03462	7.1
149.04497	29.7
161.04507	5.9
167.10803	0.9
179.05576	16.8
182.57530	0.8
191.05600	4.7
211.50177	1.1
213.09157	7.7
214.09647	1.0
221.04778	0.8
229.12413	3.1
241.12335	3.6
255.98573	0.7
268.79407	0.8
285.89136	0.7
299.16605	8.6
299.25891	5.0
300.16977	1.1
317.21280	1.7
329.19757	15.6
330.20102	1.5
355.27588	0.9
359.18860	1.0
359.28116	18.1
401.20511	0.8
417.28677	1.2
461.24011	45.1
462.24435	6.8
479.22842	1.7
521.24200	9.5
521.33374	10.4
522.17023	0.9
522.24396	1.8
522.33618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.1
57.03339	5.5
58.00480	3.4
59.01266	88.8
60.01627	1.0
61.98716	8.5
69.03342	1.6
69.34184	5.8
71.01269	57.9
71.04907	1.1
72.01605	1.2
72.99190	4.9
73.02838	12.1
75.00771	1.9
78.42542	0.5
83.01275	5.9
85.02843	23.6
86.03175	0.5
87.00766	3.9
87.04409	1.5
88.98705	1.0
89.02338	39.8
93.06999	1.5
95.01292	5.2
96.95915	2.1
97.02869	0.7
97.06486	1.7
98.19823	1.1
99.00779	4.7
101.02347	36.0
102.02679	0.6
103.00336	0.5
109.06487	0.6
111.00804	1.8
111.08069	2.3
113.02358	26.3
113.77798	0.6
114.02723	0.8
119.03417	18.1
121.02860	3.3
123.00782	1.5
123.08041	1.1
125.02400	1.0
129.01817	0.7
131.03412	3.9
135.04437	0.7
143.03407	4.8
145.02855	1.3
149.04506	10.0
153.09151	0.9
154.87759	0.5
157.12251	1.0
159.02887	2.6
161.04514	11.5
165.12802	26.2
166.13120	1.3
167.14357	0.6
179.05574	9.8
181.12334	0.8
181.15990	0.7
183.13867	65.6
184.14154	3.4
185.15411	1.1
193.05099	0.6
197.06088	1.0
197.15376	1.2
199.03943	0.6
207.13789	0.8
209.11801	2.3
209.15451	1.0
211.03983	1.2
213.05566	1.6
223.04137	0.6
225.05537	0.8
225.14984	0.8
227.12891	73.7
228.13231	4.6
229.18094	7.2
240.04332	1.6
241.05083	2.6
251.12866	2.0
264.27859	0.6
267.02988	1.0
268.03799	17.0
269.04605	33.3
270.05005	2.7
283.06201	1.5
284.06961	15.4
284.10132	0.7
285.07260	1.3
293.14163	0.6
297.07828	0.9
298.08459	1.6
299.09305	56.8
300.09607	5.8
300.15002	0.7
313.16431	0.7
321.22653	0.6
323.26257	0.7
327.25427	0.7
341.16025	2.7
341.26965	1.1
357.26144	0.8
358.26926	0.7
359.17230	18.7
359.28079	21.8
360.17508	2.3
360.28531	1.3
360.69373	0.7
373.26144	0.6
389.17990	6.9
389.21445	0.7
391.23495	4.3
431.09854	5.7
433.28131	0.8
446.12146	2.0
446.17624	0.7
461.14594	23.6
461.31070	1.9
462.14828	3.4
499.74869	0.6
503.32291	1.1
520.32428	0.6
521.22345	20.0
521.33264	100.0
522.23212	2.9
522.33777	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.6
57.03334	4.6
58.00487	2.4
59.01266	81.8
60.01612	1.0
61.98714	8.4
69.03354	1.3
69.36990	0.9
69.37396	4.9
71.01270	56.5
71.04897	0.7
72.01614	1.0
72.99210	3.3
73.02839	12.0
75.00761	1.4
75.86573	0.6
83.01286	6.1
85.02841	22.5
86.03264	0.6
87.00780	3.3
87.04413	1.2
88.98702	1.2
89.02340	33.5
93.07010	2.0
95.01288	4.8
96.95965	0.8
97.02859	1.0
97.06477	1.0
99.00783	4.5
101.02348	31.5
102.02686	1.1
108.02074	0.5
109.02882	0.8
111.00802	1.7
111.08077	2.6
113.02359	23.4
114.02689	0.7
119.03421	12.3
121.02860	4.0
123.00819	1.6
125.02399	1.5
129.01875	1.1
131.03406	3.1
143.03452	3.1
149.04492	15.8
152.01106	0.7
157.12360	0.9
159.02963	1.7
161.04514	10.0
165.05440	0.8
165.12805	34.3
166.13097	2.7
179.05589	5.6
181.12357	0.6
183.13873	94.1
184.14191	6.7
185.15387	0.8
187.13373	1.6
197.15446	1.9
207.13898	1.7
209.11816	2.3
213.05591	0.9
225.05724	1.0
225.15091	1.2
227.12895	100.0
228.13228	6.5
229.18114	6.8
241.05093	2.4
251.12860	3.9
263.13089	0.6
267.03137	1.2
267.06714	0.6
268.03815	6.9
269.04602	33.0
269.13934	1.3
270.04855	2.9
281.08527	0.8
283.06277	2.6
283.08932	0.6
284.06952	21.3
285.07257	2.4
298.08548	2.0
299.09308	59.4
300.09686	6.8
311.25925	0.6
341.16348	2.6
341.26794	0.7
350.08829	0.6
359.17191	21.3
359.28076	13.9
360.17523	2.2
360.28409	1.3
389.18100	10.0
390.18655	1.5
391.23447	6.4
401.18314	0.8
414.22232	0.7
446.17218	1.7
461.14758	5.8
461.31323	0.8
462.14929	0.7
503.32053	1.7
521.22382	22.9
521.33313	85.3
522.23132	4.0
522.33820	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	521.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20993	1.0
55.01777	2.6
57.03333	3.0
58.00473	5.7
59.01265	92.5
63.73501	1.2
69.03338	2.2
70.48056	4.8
71.01269	100.0
72.01586	2.1
72.99191	6.8
73.02837	16.3
75.00754	3.6
83.01288	4.3
85.02843	22.2
87.00769	5.1
89.02336	96.7
90.02695	2.2
91.01787	1.4
95.01310	2.3
96.95919	3.1
97.02842	1.8
99.00787	5.2
99.04401	1.7
101.02345	63.4
101.03017	3.1
109.02843	2.7
111.00799	2.3
113.02362	20.3
115.00234	1.7
119.03413	8.2
121.02865	3.0
122.06073	1.9
123.04538	1.2
125.02341	3.6
129.01886	2.0
131.03427	27.9
132.03661	1.7
133.02850	1.6
134.03633	3.0
135.00786	2.9
143.03432	4.7
148.05170	1.6
149.02530	2.3
149.04489	77.2
150.03148	6.1
152.19531	1.2
152.78751	1.1
153.01871	4.6
159.02934	1.7
161.04523	11.3
165.05530	5.8
175.02451	2.5
175.03893	1.9
178.02686	1.3
189.05524	1.8
190.89746	1.2
191.05588	13.2
193.04996	8.4
195.06624	3.6
235.06197	1.4
253.13510	2.9
260.41141	1.2
265.84616	1.3
273.07700	5.4
281.08716	2.3
293.08853	2.9
295.10754	2.3
297.12347	6.2
309.62332	1.4
311.09885	5.0
314.08691	1.6
325.11935	4.7
341.10532	3.0
355.13177	6.4
359.15079	3.0
369.11322	1.6
389.16983	1.8
389.21890	28.1
390.22159	2.8
399.12009	11.8
400.12408	1.8
401.13705	2.9
411.12204	2.1
429.12805	2.1
431.14420	9.8
433.21027	2.1
453.13205	1.7
461.15118	2.2
489.15164	2.6
521.18463	6.0
521.26959	14.4
522.26154	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03333	1.8
58.00471	1.0
59.01268	14.6
61.98719	1.5
69.03342	0.5
69.51938	0.5
71.01272	23.1
71.58871	0.9
72.99191	2.3
73.02842	6.6
75.00751	2.4
76.51423	0.5
81.96696	0.6
83.01273	3.9
85.02841	10.6
87.00768	1.8
89.02335	7.0
95.01288	1.9
96.95896	1.3
97.02869	1.4
97.06490	0.6
99.00760	3.5
101.02349	16.1
101.03014	1.0
103.96835	0.6
109.02860	15.6
110.03153	0.7
111.00773	0.8
113.02354	8.8
119.03390	1.9
119.04883	0.5
121.02963	0.5
123.04429	1.2
124.01555	0.7
125.02359	1.5
129.01823	0.8
131.03430	1.8
134.03679	0.6
139.07619	0.6
143.03418	0.9
149.02280	0.6
149.04460	1.7
150.03130	0.6
151.03923	0.6
153.00655	0.7
159.02957	1.8
159.04449	7.9
161.04504	10.8
161.05904	0.9
165.05533	1.3
167.03473	0.8
173.06021	5.5
188.04672	0.6
189.05556	5.8
190.06316	0.9
191.01933	1.0
191.07149	2.3
195.06563	1.0
203.07109	2.2
205.08615	0.8
213.05568	0.7
225.07538	0.5
227.16516	1.1
240.04256	1.3
241.05133	12.6
242.05350	0.8
255.06644	9.5
256.07007	0.9
265.08963	0.7
267.06750	0.8
268.07492	0.8
269.08282	2.3
283.09802	1.0
293.08823	0.9
295.09836	1.7
298.08325	1.0
299.09183	9.0
300.09625	0.9
313.10867	10.6
314.11456	1.7
327.12732	0.6
329.10352	5.6
330.10660	0.8
343.11954	2.7
344.12698	39.0
345.13193	4.0
359.15076	100.0
360.15417	9.6
389.21994	21.2
390.22192	1.8
431.14127	0.9
521.26770	11.3
522.26508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.11019	0.4
52.73349	0.4
55.01757	1.8
57.03339	1.0
57.93746	0.4
58.00465	1.4
59.01268	20.3
61.98712	0.5
69.42938	4.1
71.01270	15.5
72.99184	2.1
73.02837	4.0
75.00762	0.9
83.01281	3.4
84.01705	0.5
85.02840	6.9
85.99996	1.4
87.00780	2.6
89.02326	4.1
95.01279	1.3
99.00788	2.0
101.02351	10.6
103.00334	0.5
108.02081	0.6
109.02844	1.7
111.00793	1.0
113.02367	4.0
118.26266	0.5
119.03381	0.9
121.02869	4.0
135.04442	0.9
137.02301	0.6
145.02867	1.5
147.02901	0.8
147.04414	1.5
150.03148	0.7
153.01857	1.2
159.03110	0.7
159.04434	2.1
161.04460	0.5
166.05035	3.4
167.05295	1.2
180.07780	0.9
223.09579	0.6
224.04732	0.9
225.09161	0.4
237.05637	0.6
238.06339	0.9
239.07120	0.8
240.04257	1.5
251.07133	0.6
252.04327	0.5
252.07945	0.6
253.04991	0.9
253.08705	0.6
254.05754	0.7
255.06686	1.5
256.07407	0.7
263.07162	1.2
265.08694	1.3
266.05850	0.9
267.06693	2.7
268.07419	4.5
269.08206	6.5
270.08957	2.4
271.09680	1.0
275.07184	0.8
279.10318	0.5
280.07474	2.1
281.08261	10.5
282.09009	4.7
283.09799	7.6
293.08203	2.9
294.08966	1.1
295.09818	2.8
296.07370	0.7
296.10583	1.6
297.11310	1.3
299.09393	4.0
300.09973	2.1
302.08096	0.9
308.10355	0.6
309.11462	1.1
311.09329	4.6
312.10254	2.1
313.10748	1.3
314.07941	1.6
314.11670	7.6
315.12280	5.0
325.10727	0.9
326.08057	0.8
326.11682	11.0
327.12366	8.0
328.09494	0.7
329.10196	0.6
329.13940	9.8
330.14337	1.3
340.09457	2.2
341.10248	0.5
341.13977	8.2
342.14246	0.7
343.11975	6.7
344.12088	0.6
355.11932	6.2
356.12402	1.1
357.13654	0.9
369.13461	1.0
373.12949	1.0
385.14941	1.6
445.15204	1.4
461.14532	1.9
473.14658	5.6
474.14926	0.7
476.17072	8.3
477.17133	1.3
488.16949	6.4
491.19351	100.0
492.19666	15.1
503.19373	95.1
504.19699	14.3
521.17065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01772	1.4
57.03332	1.7
58.00478	1.8
59.01265	31.5
69.03329	0.5
70.94318	0.8
71.01270	22.3
72.01627	0.3
72.99202	2.0
73.02837	4.0
75.00764	0.5
80.38129	0.3
83.01276	2.9
85.02845	7.7
87.00764	2.6
89.02342	11.8
90.83758	0.2
91.06715	0.2
95.01286	2.0
96.95928	0.5
98.02457	0.2
99.00781	2.1
101.02345	14.0
102.02694	0.3
108.02082	1.1
109.02858	5.8
111.00808	0.7
113.02357	6.2
114.02648	0.3
119.03421	4.7
121.02907	0.7
123.00759	0.4
123.04453	1.1
125.02364	0.4
127.05080	0.4
129.01817	0.4
131.03397	0.7
134.03676	2.1
135.04446	0.3
137.02383	0.5
143.03482	0.7
149.02356	1.4
149.04463	0.5
149.06013	0.7
150.03160	2.8
151.03920	0.3
159.03098	0.5
159.04431	3.5
161.04521	0.5
162.27014	0.3
163.03917	0.5
165.05528	3.8
171.04483	0.5
172.05258	1.0
173.06020	3.6
178.02689	1.1
179.05600	0.8
180.04105	0.3
187.07588	1.0
189.05553	2.3
190.06232	0.7
191.07117	1.2
193.05055	4.2
194.05428	0.3
195.06641	1.6
203.07143	1.4
217.08682	0.3
225.05647	0.4
235.09946	0.3
239.07214	0.4
240.04269	0.9
241.05098	5.7
242.05437	0.5
252.07925	0.3
253.05103	1.1
255.06677	2.8
256.07123	0.5
263.07114	0.6
265.08743	0.6
266.05859	0.4
267.06689	1.1
268.07394	1.0
269.08215	1.2
279.06732	0.6
280.07477	0.5
281.08200	2.2
282.08942	0.8
283.09772	1.2
293.08276	0.4
295.09818	2.6
296.10483	1.0
298.08502	0.7
299.09329	3.7
309.11398	0.4
311.09323	4.9
311.12811	0.6
312.09882	0.6
313.10858	6.3
314.11401	0.7
325.10800	0.6
326.07977	0.5
326.11612	4.3
327.12369	1.5
329.10379	2.1
341.10306	2.7
341.14059	3.8
342.14395	0.6
343.12006	1.4
344.12701	22.4
345.13196	3.2
353.91592	0.3
359.15076	53.6
360.15414	5.7
389.12537	1.1
445.33310	0.3
506.18298	0.4
521.20374	100.0
522.20715	14.9
522.28674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01263	14.5
60.01601	0.5
61.98715	100.0
65.27354	0.4
69.18369	0.4
71.01267	8.4
71.54469	0.6
71.54819	0.4
72.99206	1.1
73.01666	0.4
73.02843	1.5
73.96311	0.4
75.00750	1.0
83.01292	0.5
85.02827	2.5
87.00770	1.0
89.02345	5.2
90.02673	0.6
90.53548	0.4
95.01276	0.5
97.02854	0.5
99.00789	0.6
101.02338	4.1
102.02687	0.7
111.00811	0.5
113.02335	2.8
114.02764	0.4
119.03398	2.0
123.04424	0.6
124.01565	0.5
125.02377	1.2
126.02683	0.5
131.03415	0.8
133.06450	0.9
135.04422	0.4
143.03496	0.4
149.04480	0.7
150.03270	0.5
161.04568	1.4
165.05547	0.6
166.05002	2.6
179.05612	1.1
193.05049	1.3
265.70300	0.4
274.39688	0.4
311.09317	0.5
314.07986	0.5
315.08716	0.5
324.10388	0.7
325.10666	2.0
326.11002	0.9
341.10443	0.9
343.12155	1.3
355.12186	0.8
359.11667	1.4
371.15372	0.8
374.13904	1.9
389.16220	4.4
415.23615	0.6
433.24744	1.0
521.09479	0.6
521.12323	0.8
521.20288	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	520.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.5
58.00502	0.4
58.74325	0.3
59.01264	8.3
60.01603	0.3
61.98719	100.0
69.03331	0.3
71.01272	6.8
71.62742	0.5
72.01622	0.7
72.99228	0.3
73.02842	0.9
79.54353	0.2
83.01289	0.5
85.02850	1.6
86.03138	0.2
87.00790	0.4
89.02335	5.5
90.02708	0.6
91.02789	0.6
95.01286	0.4
99.00826	0.3
101.02343	2.9
106.59566	0.2
111.85641	0.3
113.02357	2.3
119.03394	1.6
120.56493	0.2
125.02400	0.8
131.03461	0.3
133.03845	0.2
143.03452	0.4
143.14682	0.3
148.05257	0.7
149.04480	0.6
149.05598	0.6
153.05460	0.3
161.04517	0.8
164.07962	0.4
179.05602	0.6
190.24562	0.2
205.05174	0.2
229.18143	0.7
294.09186	0.6
295.09341	0.8
296.09735	0.6
326.11710	0.4
341.13892	0.4
357.26709	0.3
359.28360	1.1
438.30191	0.3
476.38483	0.3
495.52304	0.3
520.21906	0.5
520.32269	0.5
521.33630	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	520.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53172	0.3
59.01265	1.3
61.98713	0.8
70.72157	0.6
72.62894	0.3
78.95792	41.4
83.95075	0.3
96.96861	5.7
96.97469	0.2
103.12218	0.3
104.49712	0.3
113.55222	0.3
119.35913	0.4
136.41962	0.2
137.33194	0.3
150.97983	1.1
152.99521	100.0
153.99825	1.8
171.00597	3.3
279.23322	1.4
286.47534	0.3
433.23679	24.7
434.24054	2.9
451.62897	0.3
520.26776	6.6
520.33392	0.6
521.26831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75957	0.1
55.13016	0.1
57.03346	0.3
59.01265	4.9
59.82694	0.1
60.01601	0.5
61.01696	0.4
61.98717	100.0
62.98425	0.2
65.72746	0.1
69.03344	0.2
69.44084	0.8
69.44505	0.4
71.01269	4.4
72.01607	0.6
72.99215	0.2
73.01698	0.4
73.02847	0.4
75.00766	0.2
83.01299	0.3
85.02846	0.9
86.03180	0.2
87.00761	0.2
89.02336	4.1
90.02669	0.6
91.02781	0.6
95.01310	0.2
96.95937	0.1
97.02889	0.4
99.00805	0.2
101.02346	1.3
101.05067	0.1
102.02681	0.1
103.01406	0.1
113.02361	1.2
119.03431	0.3
123.04402	0.3
125.02373	1.1
126.02724	0.4
127.02988	0.2
131.03427	0.6
132.03769	0.2
133.03897	0.2
143.03513	0.2
148.05283	0.8
149.04512	1.1
149.05609	0.7
150.04837	0.4
150.05881	0.3
151.04955	0.2
161.04565	0.2
163.07611	0.3
164.07988	0.5
165.08182	0.2
169.03513	0.1
179.05553	0.2
191.05563	0.3
192.06029	0.2
203.02574	0.1
234.07130	0.3
293.08859	0.7
294.09265	0.6
295.09344	1.2
296.09793	0.5
307.06088	0.2
311.09399	0.2
326.11487	0.2
341.14139	0.3
362.74747	0.1
373.13287	0.2
519.32086	0.3
521.17883	0.2
521.33765	0.9
539.13525	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07523	0.3
55.01766	1.8
56.57783	0.3
57.03330	2.4
58.00483	1.2
58.02274	0.4
59.01266	100.0
60.01608	3.4
61.01684	1.9
61.98714	0.8
69.03334	0.4
69.50298	1.5
69.50729	1.5
71.01270	31.0
71.04899	0.7
72.01630	0.4
72.99205	1.4
73.01691	0.3
73.02843	6.8
75.00768	0.6
83.01281	4.8
85.02844	10.5
87.00780	1.7
89.02340	18.9
95.01292	3.2
96.95930	0.9
97.02850	0.4
97.06503	0.7
99.00766	2.9
101.02350	23.1
102.98503	0.3
111.00776	0.7
113.02362	12.7
119.03427	8.3
120.03812	0.4
121.02914	0.4
124.32219	0.4
125.02364	1.3
127.11234	0.4
129.01872	0.7
131.03407	1.2
134.03641	0.6
143.03432	2.4
149.04457	1.7
149.06000	0.6
157.12282	1.0
159.02925	1.4
161.04488	4.7
165.01889	1.0
165.09155	0.3
169.12357	0.4
171.13890	0.7
175.76489	0.3
179.05576	2.6
181.12352	0.4
187.13301	0.7
193.05107	0.4
201.14923	0.4
297.24429	0.6
304.09540	0.3
309.24234	0.3
315.08804	3.2
315.18143	0.8
321.24475	0.7
339.25464	1.2
357.26489	12.2
358.26849	1.1
381.22879	0.8
387.24026	0.7
399.24033	5.3
400.24408	0.6
417.25092	3.7
459.25775	1.5
477.23599	4.4
477.30231	0.6
478.23962	0.7
519.24762	2.9
519.31848	48.4
520.25287	0.5
520.32312	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	519.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00083	0.3
55.01776	2.1
57.03338	2.8
58.00486	2.3
59.01266	100.0
60.01605	3.0
61.01685	1.4
61.98721	1.4
64.61106	0.4
71.01271	35.3
71.04896	0.7
71.21117	0.9
72.99197	3.3
73.02839	7.4
73.03246	0.4
75.00771	0.4
78.33339	0.3
80.07706	0.4
83.01289	4.0
84.01601	0.4
85.02847	11.6
87.00769	2.4
87.04417	0.8
89.02341	22.5
95.01292	2.8
95.04905	0.4
96.95898	0.6
97.02888	0.7
97.06506	0.7
99.00773	2.7
101.02349	24.3
111.00794	0.5
113.02357	14.2
113.09661	0.4
114.02733	0.5
119.03426	10.8
120.03804	0.5
121.02899	0.4
121.10170	0.7
125.02338	0.8
129.01826	0.5
131.03461	1.7
133.43781	0.3
134.03677	0.8
137.09715	0.4
139.11205	0.4
143.03459	2.8
149.04517	2.4
149.05962	0.5
150.03311	0.4
153.41812	0.3
156.41745	0.4
157.12311	1.0
159.02980	0.8
161.04509	6.1
163.11235	0.5
165.01894	0.8
165.09215	0.7
166.35144	0.3
171.13864	0.4
179.03964	0.4
179.05554	3.2
199.13390	1.0
201.14925	0.6
227.16513	0.4
228.13618	0.4
278.24487	0.4
297.24420	0.7
306.83014	0.4
309.20865	0.6
309.24469	0.6
314.07974	0.4
315.08881	2.7
315.18216	0.6
321.24289	0.8
327.21811	1.0
339.25531	1.7
357.26566	16.1
358.26923	1.7
381.22849	1.1
387.23959	1.0
399.24008	6.5
399.46616	0.5
400.18634	0.4
400.24271	1.0
407.54785	0.4
417.25146	3.9
418.25388	0.6
459.25693	1.7
477.23740	2.0
477.29996	0.5
487.21860	0.7
519.31879	53.8
520.24939	0.8
520.32208	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	519.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53556	0.2
54.22586	0.2
56.12941	0.3
57.03334	0.7
59.01266	100.0
60.01608	1.2
61.98715	1.1
64.77744	0.2
65.19729	0.3
69.53326	0.9
69.53738	1.3
71.01273	6.1
72.99185	0.4
73.02834	1.7
75.00751	0.5
78.22969	0.3
83.01297	0.7
85.02847	3.7
87.00801	0.6
87.04434	0.9
89.02338	1.9
92.82394	0.3
95.01314	0.7
96.95906	2.6
98.90710	0.3
99.00797	0.9
101.02343	2.7
102.77679	0.3
113.02371	4.9
119.03407	0.9
139.71297	0.3
159.03012	0.3
161.04489	1.7
165.12766	0.3
179.05716	0.3
189.36758	0.3
190.02779	0.4
205.05281	0.3
253.04799	0.3
345.09247	0.3
357.26401	0.6
399.23969	13.4
400.24271	2.2
417.25003	3.4
459.26096	4.3
460.26636	0.8
519.21393	1.0
519.24042	1.1
519.31738	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	519.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.3
57.03340	1.8
58.00492	0.4
59.01263	100.0
60.01609	1.2
64.14077	0.3
69.55872	2.8
71.01270	17.7
71.04906	0.5
72.99203	0.8
73.02834	5.0
83.01277	2.2
85.02840	6.4
87.00771	1.3
87.04414	1.0
89.02338	10.8
95.01292	1.7
96.95907	0.4
98.20516	0.7
99.00810	1.0
101.02345	11.5
102.02702	0.5
111.00800	0.8
113.02348	7.5
113.03078	0.5
119.03418	5.2
125.02364	0.4
131.03424	0.7
131.05350	0.4
143.03426	1.7
143.10718	0.4
149.04469	0.9
152.51421	0.3
159.02907	0.4
161.04492	3.1
169.12323	0.4
179.05565	2.1
255.19739	0.6
339.25586	0.7
357.26544	8.1
358.26923	0.8
369.43332	0.4
399.23962	22.9
400.24319	3.1
417.25040	12.9
418.25375	1.4
459.25754	5.1
460.26303	0.6
519.24188	0.8
519.31879	15.9
520.32349	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36913	7.1
59.01265	100.0
61.98708	14.4
62.43561	6.8
67.83242	6.8
70.80035	16.1
70.80413	14.1
78.95792	11.2
81.54227	7.4
102.26144	6.7
114.33810	6.7
119.95415	7.3
129.36613	7.7
225.11415	7.2
277.21561	9.3
418.01453	7.6
437.49658	9.0
457.33041	9.6
519.33679	79.9
520.33618	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	519.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04147	0.3
55.01775	0.7
57.03335	0.5
58.00481	0.5
59.01265	100.0
60.01595	1.1
61.98713	4.4
62.84159	0.3
69.03343	0.4
69.61172	2.5
71.01272	17.7
72.01584	0.3
72.99203	1.1
73.02840	6.5
75.00761	0.4
83.01276	2.4
85.02841	5.5
87.00794	1.3
87.04414	0.6
89.02338	12.4
92.51311	0.3
95.01299	1.0
97.02874	0.6
97.06531	0.4
98.20563	0.4
99.00819	1.1
100.07501	0.3
101.02347	14.4
113.02357	7.5
114.02808	0.4
119.03426	5.6
125.02380	0.6
131.03439	1.5
134.74135	0.3
137.09656	0.7
139.83524	0.3
143.03471	1.3
149.04524	0.8
159.02998	0.5
161.04486	3.5
164.18884	0.4
179.05592	2.1
191.05904	0.3
210.91968	0.3
225.14969	0.5
255.19727	2.3
357.26593	3.8
387.20474	0.5
399.23944	14.1
400.24402	1.8
417.25037	13.1
418.25339	1.4
444.61200	0.4
459.26047	12.7
460.26736	1.1
519.24628	1.4
519.31976	8.4
520.32318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
56.20646	1.2
57.03339	4.1
58.00482	2.3
58.95802	1.4
59.01266	100.0
59.42953	1.1
60.01601	3.9
61.01698	3.0
61.98718	36.9
66.57753	1.1
69.03323	1.4
69.90705	7.5
71.01271	52.7
72.01627	2.9
72.99196	7.1
73.01696	1.6
73.02843	8.3
75.00763	10.3
81.03343	2.0
83.01299	4.5
83.21500	1.1
85.02846	26.3
87.00761	6.6
87.04417	2.4
89.02338	38.5
90.02682	2.4
91.02747	2.6
94.14953	1.0
95.01295	7.2
96.95919	1.3
97.02847	2.3
99.00780	12.0
99.04398	2.6
101.02350	18.0
101.05991	2.0
102.02688	1.9
111.00793	2.4
113.02355	31.9
114.02710	1.6
117.01833	2.1
119.03409	4.7
125.02358	8.7
129.01889	2.2
131.03462	6.3
136.01627	2.8
143.03424	1.5
147.02989	1.3
148.05205	5.9
149.04501	9.6
149.05623	2.8
150.04744	1.3
150.05843	2.0
151.00316	3.7
151.03923	4.8
151.05002	2.8
155.10735	1.1
161.04492	4.2
163.07651	1.9
164.07944	2.1
165.05565	1.2
165.12830	3.2
166.05112	1.4
169.01427	1.1
175.02429	2.2
179.05487	1.6
181.12283	1.9
191.01924	1.0
191.05533	2.0
193.34572	1.1
199.01672	1.0
199.03928	6.7
207.13879	2.7
209.11815	6.1
225.11418	3.6
227.03506	5.8
227.12885	1.3
231.05081	1.8
242.02216	4.5
243.03017	30.4
244.03481	3.8
249.06151	8.2
255.03038	10.8
257.04617	5.6
267.07245	4.3
269.14133	3.1
270.01791	4.7
271.02524	34.7
272.03046	5.0
282.05344	1.7
285.04022	8.1
286.04828	3.6
287.05685	1.4
293.08926	5.0
294.09189	4.5
295.09222	8.7
297.07742	4.3
299.02048	40.9
299.05408	2.6
300.02734	22.6
301.03244	2.4
309.08102	1.5
314.04379	51.3
314.07971	2.6
315.05154	61.7
316.05515	5.1
341.10455	1.4
342.10971	2.2
343.11966	1.6
343.17648	3.9
353.10565	3.5
357.13757	4.1
357.26651	2.0
387.23965	2.0
415.23477	19.0
416.24011	1.9
433.24597	15.9
434.25095	1.7
457.20712	1.9
459.18484	2.4
475.25650	3.8
501.19650	8.1
519.11591	64.6
519.20868	95.5
519.31860	10.5
520.11926	12.5
520.21185	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	519.2097
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
54.71256	0.4
55.01762	1.0
55.31861	0.5
57.03343	3.5
58.00476	1.1
59.01267	56.2
59.36030	0.6
60.01581	1.2
61.98718	7.7
67.01752	0.6
68.99673	1.0
69.03335	1.3
69.51035	1.7
69.51459	3.1
71.01273	25.8
71.04889	1.1
72.01610	1.1
72.99204	5.6
73.02849	3.7
75.00764	9.8
81.03342	0.8
82.93842	0.6
83.01276	5.0
83.04921	0.7
85.02843	20.6
87.00785	8.0
88.98686	3.2
89.02339	9.0
91.00253	1.2
91.03864	0.7
93.03368	0.5
95.01291	3.6
96.95886	1.2
97.02829	0.9
97.06470	0.8
99.00781	7.4
99.04444	2.7
101.02344	8.2
101.65600	0.5
103.00255	1.5
103.03900	0.5
109.02860	0.8
109.06465	0.5
111.00777	2.4
113.02359	22.9
115.00274	1.9
117.01847	1.3
119.03396	2.1
119.04931	0.6
121.02843	0.6
121.06520	0.6
122.03607	0.9
123.04459	0.6
123.08059	0.5
125.02320	2.2
129.01833	2.1
131.03407	1.5
134.03612	1.0
137.09601	0.7
143.03397	1.2
147.02896	0.6
148.05183	0.9
149.02324	0.8
149.04477	1.9
149.05750	0.7
151.00330	0.6
155.10623	0.5
157.01439	0.6
161.04442	2.2
165.05411	0.9
165.12787	2.3
166.05046	0.8
173.00893	0.6
175.02454	1.5
179.05569	0.9
181.12259	0.6
183.92799	0.5
185.11783	1.3
189.12836	1.4
191.01842	1.1
191.10722	0.6
193.05035	0.7
205.07053	1.0
207.13890	4.4
209.11819	3.7
227.03464	1.6
231.05124	0.9
243.03038	1.2
249.03886	0.7
249.06212	8.1
251.12854	1.1
255.03046	2.7
257.04593	0.8
267.07275	20.4
268.07593	0.9
269.13962	1.5
284.03271	2.4
285.04111	4.0
299.02097	1.4
300.02695	0.9
313.15289	0.6
315.05032	0.9
315.21780	4.4
324.15100	0.5
342.10818	0.7
343.11700	0.7
343.17526	1.5
357.13455	5.4
357.26462	1.3
358.14035	1.0
360.12726	0.6
387.24075	4.7
388.24377	0.6
431.09866	4.2
457.20700	1.0
459.18674	2.5
459.30130	1.1
475.13968	0.6
501.20016	4.6
519.20825	100.0
519.32324	9.7
520.13727	0.8
520.21136	12.2
520.29779	0.7
520.32330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00503	1.4
57.03323	3.2
58.00484	2.7
59.01263	100.0
59.64121	1.2
61.98723	4.0
66.86998	1.3
69.03347	2.9
69.83609	1.1
71.01270	41.1
71.04939	1.2
71.60827	1.8
72.99206	3.0
73.02831	7.2
75.00764	1.9
83.01270	7.2
85.02837	9.1
87.00771	2.7
89.02338	32.7
91.05432	1.7
93.03341	1.7
94.27018	1.2
95.01276	2.8
96.95856	1.5
101.02345	17.3
103.66154	1.2
109.34795	1.3
113.02357	20.5
119.03410	8.4
121.02859	2.2
122.68803	1.4
125.02400	1.6
131.03424	3.0
133.02873	2.7
143.03436	3.5
147.04427	10.9
148.05238	45.5
149.04616	1.5
149.06015	29.9
161.02380	38.5
161.04401	6.1
162.02812	1.8
165.01756	1.2
176.04739	57.0
177.05109	3.0
179.05597	6.2
191.07101	46.2
192.07454	3.1
213.14987	3.6
238.61029	1.3
247.74864	1.5
249.03271	2.8
279.23386	9.1
281.08109	1.5
282.08856	1.7
291.07159	1.4
297.24432	5.6
309.07706	7.2
324.10147	5.6
335.03665	1.4
339.12436	97.3
340.12814	12.4
357.05807	1.5
357.26526	37.3
358.26938	4.2
387.23810	1.3
459.30136	2.2
475.32797	1.7
516.40894	1.2
519.32507	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	519.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47127	0.4
56.84634	0.3
57.03322	0.8
57.68830	0.3
59.01262	13.9
60.01572	0.4
61.98706	1.2
65.00205	0.6
69.03329	1.0
71.00899	0.6
71.01268	8.8
71.59361	0.4
72.99195	1.5
73.02840	2.4
75.00763	1.1
78.95818	0.4
83.01275	1.0
83.04927	0.5
85.02840	4.1
86.71047	0.3
87.00774	1.7
87.04401	0.6
89.02328	4.4
91.01803	2.7
93.03349	1.0
95.01315	0.5
96.99211	3.4
97.02856	1.8
99.00774	1.1
101.02346	3.6
102.41799	0.4
108.02060	1.7
109.02878	3.2
111.00752	0.5
113.02352	3.3
115.00272	0.8
117.03381	2.0
119.03423	1.3
119.04884	0.5
121.02872	1.7
122.03635	1.0
123.04445	5.8
124.01563	0.9
124.04733	0.4
125.02370	1.0
131.03407	1.2
131.04947	0.7
134.03656	16.5
135.04422	0.6
136.01622	0.5
136.05238	0.8
137.02382	1.4
143.03401	0.7
145.02873	2.2
146.03670	6.0
147.04454	3.3
148.01559	1.0
148.05249	2.7
149.02310	0.5
149.04535	2.0
149.06015	2.3
150.03117	1.0
151.00275	0.5
158.03688	5.0
159.04451	10.3
160.01555	0.9
160.05086	0.7
161.02385	0.4
161.04536	1.2
161.06015	3.3
162.03127	1.1
162.06853	1.9
163.03940	2.3
163.07587	1.9
163.11234	1.0
166.05043	7.5
172.75470	0.3
173.02336	0.5
173.06027	5.5
174.03192	1.1
175.03990	1.3
176.04732	1.0
177.05345	0.7
178.02681	1.9
179.05609	0.4
180.04195	0.4
184.70142	0.3
187.04037	2.0
188.04613	0.4
189.05548	0.9
190.06342	0.9
191.06998	0.4
193.05028	7.1
194.05667	0.7
199.07643	0.5
201.05551	1.3
202.06369	2.5
204.04279	0.5
206.05748	0.4
207.10278	0.8
209.02925	0.9
217.08705	0.7
219.06804	0.4
220.07394	1.4
222.05310	0.9
234.05313	2.0
241.05075	1.5
249.05724	0.6
250.06332	0.8
252.06264	2.0
256.07339	0.8
265.08636	0.8
266.05908	2.5
266.08316	0.5
267.06677	3.6
268.07443	1.5
269.08310	0.9
271.06140	1.2
271.09811	1.1
273.11249	0.4
277.05054	1.0
278.05768	0.5
280.07373	1.2
281.08234	7.1
282.08920	3.7
283.06482	0.6
283.09842	2.5
284.06595	0.5
284.10596	2.1
285.06769	0.7
293.08463	0.8
294.05225	0.5
295.06189	7.8
295.09323	0.7
296.06622	0.8
297.11310	0.4
299.12903	4.1
300.13306	0.6
309.07776	1.2
310.08527	7.9
310.12125	0.5
311.05630	1.3
311.09024	1.0
313.06424	1.5
313.14435	1.3
325.10843	6.7
326.11243	1.0
338.11841	0.4
339.05078	0.8
341.14139	0.6
343.07889	0.4
343.11871	0.8
353.13965	2.8
354.07599	1.7
355.11829	0.4
357.09842	0.9
357.13666	0.7
369.09836	2.8
370.09927	0.4
371.15051	12.5
372.15405	1.4
385.13181	1.8
387.10928	100.0
388.11258	12.7
395.15057	0.5
415.09070	0.4
415.14069	0.5
415.23431	1.2
433.24429	1.2
459.12714	0.5
475.11234	2.0
477.23633	0.7
519.14691	2.3
519.21716	1.6
519.24402	1.4
519.32043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1157
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03334	1.1
58.98528	0.9
59.01264	33.0
60.01552	1.0
60.99180	1.3
61.98718	1.8
63.31106	0.9
69.03345	1.3
69.51311	8.1
71.01270	26.0
72.99199	19.3
73.02846	5.4
73.89952	0.9
75.00758	3.4
83.01264	2.0
85.02850	7.4
87.00768	3.0
88.98698	6.1
89.02338	25.5
89.99051	1.0
90.99728	2.0
91.00268	27.9
93.03374	1.0
95.01275	1.5
97.02856	1.9
98.19929	2.1
98.20580	1.8
99.00782	4.0
101.02342	8.1
103.03928	1.6
107.01290	1.8
107.04937	1.6
107.21474	1.2
108.02063	4.4
109.02866	1.9
113.02370	6.6
117.03397	2.7
119.03412	1.3
119.04941	4.6
124.01595	1.9
125.02366	7.9
131.03419	4.2
133.06462	1.7
135.04477	4.4
147.04445	18.2
149.04521	9.3
151.00322	5.4
155.05017	1.3
157.02861	0.9
161.04498	2.2
163.00301	1.1
165.05539	10.5
171.04488	1.4
175.03983	1.0
183.04460	1.5
186.43935	1.0
187.03955	1.9
191.05544	2.5
199.04051	7.9
201.01874	1.0
203.03606	1.2
215.03494	3.6
226.02740	0.9
227.03470	7.4
228.03961	1.3
233.06717	2.3
242.02225	5.6
243.03009	36.9
244.03462	3.5
254.02318	1.1
255.03027	18.0
256.03421	1.2
257.04608	4.3
270.01855	4.6
271.02533	52.3
271.54074	0.9
272.03027	5.9
285.04108	8.9
286.04855	2.2
293.08875	15.2
294.09280	2.1
299.02014	66.4
300.02747	30.5
301.03217	2.1
314.04395	61.2
315.05154	100.0
316.05472	12.4
335.90759	1.0
415.23532	1.7
519.11627	89.6
519.20172	8.5
519.32037	3.0
520.11786	16.2
520.19073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1169
Annotation	circumpyrene
Peak:m/z	Relative Intensity
51.92953	0.5
57.03311	1.2
58.00482	0.7
59.01265	27.3
60.01593	0.5
61.98713	3.8
64.21065	0.5
65.00211	1.2
69.41579	3.7
71.00903	0.9
71.01270	11.7
72.01599	0.6
72.99174	1.9
73.02837	2.7
75.00752	1.8
76.35200	0.5
81.03342	0.8
83.01262	2.0
84.94989	0.5
85.02840	5.2
85.99980	0.5
87.00768	1.7
88.98661	0.7
89.02335	8.0
91.00238	0.5
95.01273	1.6
96.02139	0.5
96.70956	0.4
98.20616	1.2
99.00761	1.7
101.02352	5.3
107.01292	1.4
109.02878	0.7
111.00784	1.0
113.02343	6.4
115.00300	0.5
116.92741	1.0
119.03453	0.9
121.02864	1.1
123.04441	1.0
125.02351	2.0
131.03427	0.8
135.04448	0.7
136.01611	3.7
137.02388	0.9
143.04921	0.8
145.02896	1.0
148.05182	0.7
149.02344	0.5
149.04512	1.3
151.00320	6.0
151.03958	3.5
153.01839	0.6
155.04944	1.0
159.04529	0.7
161.04520	1.7
161.09407	0.6
166.04987	1.3
169.01445	0.6
171.04448	1.1
175.02490	0.6
175.03976	0.9
178.99707	0.5
179.05627	0.5
183.04469	1.9
185.02419	0.6
187.03899	1.3
199.04001	7.8
201.01921	1.7
203.03479	1.4
211.03969	1.4
215.03503	5.0
225.05424	0.5
225.11346	1.0
226.02773	1.0
227.03516	8.1
228.03943	0.6
229.01485	0.5
239.03516	2.2
241.27272	0.6
242.02261	8.5
243.03017	44.0
244.03346	4.3
249.06206	0.9
251.06874	0.8
253.05084	1.8
254.02385	0.7
255.03032	14.4
255.05449	0.5
256.03500	1.5
257.04626	9.3
257.07172	1.0
267.03027	4.1
267.07227	1.2
268.03729	0.7
270.01752	7.8
271.02539	56.0
272.02957	6.0
281.04645	3.9
282.05396	3.8
285.04105	19.1
286.04828	5.3
287.05679	1.1
293.09073	0.8
297.07739	14.6
298.08127	1.5
299.02029	66.2
300.02707	23.3
301.03195	1.4
314.04391	82.2
315.05133	49.8
315.09021	1.2
316.05576	4.2
343.11768	1.9
357.06091	1.0
357.13315	2.9
415.23502	5.7
416.23843	0.7
427.65720	0.7
433.24649	3.6
459.09573	0.7
475.25797	1.1
477.10638	2.4
481.11792	0.8
481.48724	0.6
501.19809	1.9
519.11591	100.0
519.20337	9.2
519.32306	2.5
520.11841	17.2
520.20020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.0
57.03358	1.0
57.10318	0.6
59.01265	100.0
60.01587	1.5
61.35177	0.7
61.98723	8.2
63.01918	0.7
69.03342	0.9
70.78754	1.8
71.01270	19.8
72.99203	0.9
73.02839	5.6
78.85059	0.6
83.01275	2.2
85.02843	9.0
87.00809	1.1
87.04439	0.8
89.02328	8.0
89.02749	0.8
95.01306	1.1
98.19836	0.7
99.00818	3.2
101.02346	17.2
110.85089	0.6
112.51865	0.7
113.02366	10.4
119.03387	3.8
143.03413	2.0
149.04576	0.8
159.02988	2.5
161.04517	14.7
179.05661	1.6
205.03712	0.8
239.71516	0.7
278.04828	0.7
372.19739	0.7
458.31271	11.2
459.31796	1.9
508.44403	0.8
518.32349	3.1
519.13666	0.8
519.34680	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
59.01266	100.0
59.32095	0.2
60.01601	1.1
61.98717	0.6
69.52721	1.4
71.01273	3.3
73.02837	1.3
75.00768	0.2
83.01306	0.3
85.02834	1.4
87.00777	0.2
89.02343	1.7
95.01297	0.4
98.20589	0.3
99.00781	0.4
101.02345	2.2
103.75065	0.2
113.02356	1.8
119.03457	0.7
129.99538	0.2
143.03470	0.3
161.04520	1.1
163.07658	0.3
179.05559	0.4
193.12291	0.3
237.11522	0.2
258.18243	0.2
269.89124	0.2
327.18307	0.4
345.19232	0.4
355.25165	0.3
356.34756	0.2
387.20535	0.4
397.22308	2.1
398.22711	0.3
415.23483	2.8
416.24030	0.4
457.24521	2.1
458.25009	0.4
471.24103	0.2
517.19244	0.3
517.30402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45389	0.5
58.97136	0.4
59.01263	100.0
60.01605	1.4
71.01276	1.7
71.11295	1.2
76.04125	0.4
85.02850	0.5
89.02370	1.0
101.02361	1.3
103.70428	0.4
113.02346	1.3
115.37714	0.4
142.38217	0.4
161.04523	0.6
211.22836	0.4
226.67290	0.4
317.51913	0.4
334.69495	0.4
391.35452	0.5
415.23431	0.6
473.23941	1.2
517.31226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26594	0.2
59.01263	0.7
61.98722	0.4
62.96288	0.2
78.95797	43.5
93.20071	0.2
96.96866	5.1
98.20619	0.3
104.60489	0.2
118.34977	0.2
135.72519	0.2
150.97968	1.5
152.99530	100.0
153.99847	1.7
171.00601	4.1
229.62430	0.2
277.21805	0.9
278.21954	0.3
422.29547	0.2
431.22125	25.0
432.22440	3.2
475.33990	0.3
517.30939	0.2
518.25354	5.5
518.32294	1.2
519.25269	1.1
519.33313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08372	0.4
55.01763	0.8
56.27602	0.4
57.03340	3.7
58.00444	0.6
59.01264	31.2
61.98722	0.7
67.01781	0.9
68.99712	1.2
69.03325	0.7
71.01270	24.1
71.60590	0.5
72.99202	4.9
73.02834	2.1
75.00763	13.7
81.03345	0.6
83.01289	1.3
83.04951	0.9
85.02841	24.7
86.03188	0.9
87.00765	9.5
89.02335	7.8
89.07883	0.4
91.03918	1.1
93.03354	0.4
95.01289	5.0
97.02880	0.5
99.00175	0.8
99.00782	8.6
99.04408	0.4
101.02336	3.3
103.00269	2.3
103.03896	1.7
107.04951	0.5
108.02094	1.7
109.02847	0.7
111.00757	1.0
113.02357	35.0
114.02686	1.1
115.00298	2.1
117.01865	2.5
119.03416	0.5
120.05729	0.6
123.04443	0.4
124.01560	1.5
125.05959	0.4
127.03928	0.6
129.01862	2.3
131.03418	1.4
135.04407	0.5
135.11740	0.5
136.01566	0.8
137.02330	0.5
143.03601	0.4
147.06543	1.1
149.04468	0.9
149.06110	0.4
151.00316	0.6
152.01111	4.8
153.01784	1.6
157.01363	1.0
161.09683	2.3
161.13338	2.1
163.11255	0.8
164.01100	0.8
175.02449	2.7
178.99806	1.7
179.10728	1.1
187.11285	2.2
189.09200	0.9
205.07166	0.5
205.12340	1.5
206.99277	1.5
207.05101	1.5
207.10251	1.3
208.00116	31.9
209.00749	2.9
210.01050	0.4
213.14995	0.5
215.23547	0.5
223.13318	0.9
231.05093	1.0
243.50005	0.4
249.06203	14.0
250.06561	0.7
267.07263	70.7
268.07639	3.5
268.13004	0.4
341.16003	1.4
387.16885	1.0
455.19327	1.2
457.17102	1.5
473.20444	0.9
499.18307	1.8
517.12000	24.1
517.19385	100.0
518.12347	3.8
518.19702	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	517.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
57.84035	0.2
59.01266	100.0
60.01614	1.5
61.98724	0.4
71.01268	5.4
71.61666	0.3
71.61998	0.3
72.01661	0.2
72.99227	0.2
73.02834	2.1
75.00803	0.3
83.01310	0.3
85.02834	1.7
87.00780	0.5
89.02338	3.2
95.01295	0.3
99.00764	0.5
101.02341	4.6
101.06000	0.5
113.02350	2.6
116.70580	0.2
119.03420	1.2
121.02888	0.4
125.02385	0.3
126.75098	0.3
131.03441	0.4
143.03477	0.7
154.84334	0.3
161.04512	2.1
176.43901	0.2
179.05627	0.9
203.05711	0.4
212.16837	0.2
362.07449	0.3
397.22302	2.3
398.22900	0.4
415.23465	7.3
415.28647	0.5
416.23984	0.8
457.24390	3.9
458.24948	0.5
514.20306	0.2
517.23102	0.7
517.30688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93091	0.9
57.03317	2.8
59.01263	37.2
60.99194	14.1
61.98707	1.1
69.03323	0.8
69.40554	5.3
69.40983	2.5
71.00905	1.2
71.01272	15.2
72.99204	6.5
73.02831	1.8
75.00765	9.6
75.16699	0.7
75.34889	0.8
80.89541	0.7
83.01250	1.2
83.04951	0.8
85.02846	12.4
87.00774	9.2
88.00323	4.8
88.01108	1.1
88.98704	100.0
89.02341	45.0
89.02806	0.7
89.02906	1.4
89.99061	0.9
90.01842	2.5
90.02682	0.8
95.01277	2.4
98.19701	1.0
99.00787	5.0
101.02323	2.9
103.00246	0.9
111.00798	1.3
113.02364	14.3
114.74834	0.7
115.00279	1.2
129.01837	1.7
131.03374	1.3
149.04463	1.7
149.06044	1.3
157.01414	0.9
157.25893	0.8
161.09674	1.2
161.13289	1.9
163.03908	0.9
167.32654	0.7
175.02402	2.4
187.11237	1.4
205.12245	1.4
223.13531	0.8
249.06216	12.5
267.07269	23.5
293.08670	1.0
309.08170	2.1
455.19043	1.0
473.20313	3.6
499.18210	2.7
517.19287	55.2
518.19580	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	517.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25311	1.6
57.03329	4.2
58.00478	3.4
59.01263	99.1
60.01584	2.0
61.98721	2.3
69.03337	4.5
70.37752	6.1
71.01269	93.6
72.99198	6.3
73.02836	7.1
75.00758	9.9
81.03364	4.5
83.01285	5.6
85.02840	33.0
85.03309	3.1
87.00759	12.2
89.02337	86.5
95.01271	5.9
97.02857	7.8
99.00790	10.5
101.02341	19.0
103.00262	3.0
107.12914	1.6
110.04441	1.7
111.00803	2.2
113.02349	38.7
116.46119	1.6
116.92801	3.1
119.03412	3.7
125.02363	31.0
131.03441	18.6
143.03448	2.1
148.05237	74.2
149.04503	32.7
149.05621	4.1
161.09618	1.9
163.07585	35.8
164.08000	1.8
191.05608	12.7
207.10266	2.0
223.13510	2.8
233.06702	7.6
249.06183	13.5
267.07260	48.6
268.07755	3.4
293.08844	67.0
294.09235	4.9
499.18369	2.4
517.19391	100.0
518.19806	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	517.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.8
60.98893	1.0
60.99193	13.5
69.03349	0.9
69.74271	3.3
69.74697	0.8
71.01272	8.0
72.99188	2.8
73.02841	1.2
75.00750	1.2
83.01254	1.0
85.02847	2.5
86.51321	0.5
87.00773	11.6
88.00303	8.1
88.00851	0.6
88.01123	1.3
88.98702	97.2
89.02339	100.0
89.99043	0.8
90.01868	1.1
90.02682	1.2
97.02898	0.6
99.00774	1.2
101.02353	3.0
111.00716	0.5
113.02343	3.4
122.49100	0.5
125.02365	1.9
131.03433	1.5
133.06522	2.0
135.04529	0.6
149.04503	2.0
149.06003	1.6
161.04500	1.3
163.03976	1.1
163.07527	1.0
165.05530	0.7
207.78044	0.5
240.57640	0.6
267.07355	1.3
293.08826	2.4
296.67007	0.6
517.18872	3.2
517.30127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
55.01746	0.8
57.03341	1.5
58.00483	1.2
59.01264	34.5
61.98725	5.9
69.03317	1.3
69.37587	4.4
69.38008	2.8
71.01270	18.9
72.99185	2.1
73.02834	3.0
75.00767	2.3
77.03862	2.9
79.01778	1.3
83.01260	2.0
85.02849	7.8
87.00766	3.0
89.02343	15.1
93.03345	2.7
95.01290	1.7
96.95903	0.9
97.02872	1.8
98.20598	1.3
99.00777	2.0
101.02345	11.6
104.02392	0.9
113.02345	8.3
117.03374	16.7
119.03428	5.3
119.04920	1.8
121.02850	3.3
125.02370	7.2
131.03409	2.3
131.05054	0.7
133.02869	1.2
133.06519	6.8
135.04436	3.0
143.03461	2.1
145.02869	1.0
147.04445	0.7
149.02373	2.9
149.04526	1.9
149.05933	0.8
159.03212	0.7
159.04410	3.7
160.28882	0.7
161.02415	8.0
161.04466	2.7
163.00281	1.0
163.03960	7.4
165.01851	1.2
173.02316	0.9
175.03972	1.8
177.01973	0.8
179.05602	4.3
185.02405	0.8
191.03471	2.6
193.01343	1.3
197.06105	1.5
203.03482	2.6
208.00146	0.7
209.06310	1.0
211.07729	0.8
215.07147	1.3
221.06606	3.4
224.04790	0.8
239.07132	2.2
249.06017	0.7
253.05368	0.9
256.07437	1.0
267.07153	3.7
268.03778	4.1
269.04617	6.8
271.09778	1.7
281.04630	8.1
281.07730	1.3
282.05469	5.2
283.06183	61.9
284.06430	3.8
293.04672	4.3
295.03207	0.8
295.06119	4.3
309.03998	1.2
311.05676	100.0
312.06003	9.7
314.04434	1.4
323.05670	9.7
323.09909	14.5
324.06241	0.8
335.04965	0.8
341.06717	14.6
342.06949	1.1
353.06641	2.0
387.10886	2.7
413.08862	21.4
414.09192	3.0
431.09772	1.0
473.10999	72.6
474.11420	13.4
517.12653	1.1
517.19470	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	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20157	0.1
55.01784	0.3
57.03340	0.1
58.00507	0.2
59.01263	4.4
71.01269	3.7
72.01653	0.1
72.99207	0.3
73.02834	0.7
80.53114	0.1
83.01259	0.4
83.31826	0.1
85.02847	0.8
87.00777	0.5
89.02333	2.6
91.03905	0.1
95.01297	0.4
97.02874	0.2
99.00758	0.2
101.02345	3.3
103.03944	0.1
113.02338	1.6
115.03924	0.2
119.03427	0.9
125.02379	0.2
133.04991	0.3
137.05995	0.1
143.03410	0.3
152.99545	0.1
157.05028	0.2
161.04495	1.3
179.05577	0.6
224.62259	0.1
235.08250	1.0
253.09325	13.9
254.09697	0.8
261.22275	0.4
279.23337	100.0
280.23679	10.0
355.72720	0.1
471.30685	0.1
515.29651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.7
60.01601	0.3
62.75540	0.3
64.76927	0.3
69.03341	0.5
71.01268	4.1
71.41633	0.3
71.60600	0.4
71.60967	0.3
71.61306	0.2
71.71311	0.2
72.99200	0.7
73.02828	0.7
74.62579	0.3
75.00764	0.4
83.01279	0.5
83.19768	0.3
85.02847	1.2
86.02380	3.7
87.00774	100.0
88.00301	9.7
88.01100	1.4
89.02338	3.6
97.02879	0.6
99.00786	0.3
101.02331	1.4
113.02350	1.1
121.02874	0.4
125.02374	1.2
131.03430	1.2
133.06526	3.0
134.03683	0.3
149.04500	1.6
149.06001	0.3
161.04704	0.5
161.06000	2.9
165.05533	1.1
191.05667	0.3
194.99550	0.3
222.07739	0.9
293.08829	3.3
294.09018	0.3
515.18781	0.4
515.32404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2664
Annotation	Micrandilactone B
Peak:m/z	Relative Intensity
57.03336	3.2
57.18175	1.1
59.01268	45.8
61.98706	7.6
67.01738	2.0
69.03342	6.0
69.32360	11.5
71.01271	10.6
71.04900	4.6
73.02845	6.0
74.16072	1.3
75.00767	2.3
79.05408	1.6
79.13023	1.1
81.83733	1.2
83.01256	1.9
83.04915	4.2
85.02847	54.9
85.06491	16.2
87.04408	5.6
89.02349	5.5
92.55450	1.1
93.07005	10.8
93.79646	1.1
95.04902	2.0
96.11787	1.2
97.06486	4.6
99.08046	1.7
101.02355	3.7
109.06428	1.3
111.04427	2.6
111.08066	15.2
112.08283	1.6
113.02343	9.6
113.05986	1.9
120.05733	1.6
121.02863	2.3
121.06527	5.9
123.08022	2.3
125.09638	2.7
127.03976	1.7
129.05478	5.3
132.21295	1.1
133.10139	2.8
135.04410	1.9
135.08109	2.2
135.53059	1.2
139.07587	8.9
149.09634	1.6
153.09088	1.2
155.07095	11.7
157.06596	1.3
158.07286	2.7
159.78183	1.4
160.04004	1.4
161.04474	1.9
161.05882	1.5
161.09636	4.6
163.07588	3.1
163.11183	1.6
171.08060	2.3
173.05939	1.4
173.09657	7.8
175.07487	1.8
175.11203	1.3
177.09145	3.7
185.06114	1.5
185.09647	2.6
187.11177	2.9
189.12862	1.5
191.10762	2.7
197.09746	2.5
197.11786	2.3
199.11252	2.4
201.12819	3.0
205.08701	2.6
205.12257	1.5
206.09396	2.0
211.11368	1.9
213.12836	2.4
225.12891	1.7
227.14384	2.3
234.98271	1.3
237.12849	1.7
241.16019	4.4
253.15952	5.1
255.13864	1.9
257.15460	1.3
263.14471	4.4
267.17603	3.7
269.15448	2.4
269.19153	2.3
271.16937	1.6
279.17584	6.9
281.15442	4.6
285.18533	1.9
295.17075	1.5
297.18619	6.0
299.16330	1.4
311.20175	1.5
314.15283	1.6
335.23807	3.0
337.25504	1.7
339.23465	1.7
347.23621	1.3
353.24121	2.4
357.24118	1.4
365.25070	2.8
373.25455	2.6
376.23941	1.9
391.26547	7.7
397.23831	4.9
405.20850	1.8
407.25916	2.7
409.23044	1.8
409.27609	4.0
415.25058	6.6
417.24249	2.2
425.26953	4.4
427.24796	7.0
428.25183	1.5
435.25528	38.4
436.25815	4.9
441.22824	4.1
443.28040	2.5
453.26614	91.7
454.27054	15.7
471.27631	100.0
472.28070	16.6
479.24469	39.1
480.24924	6.7
497.25574	60.4
498.26038	10.4
515.26593	87.8
516.26801	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	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73259	0.3
59.01262	5.5
69.30074	2.8
70.38824	0.3
71.01265	3.9
72.99194	0.4
73.02831	0.5
74.32037	0.3
85.02827	0.9
86.02371	3.1
86.42481	0.3
87.00769	100.0
88.00293	7.5
88.01063	1.5
89.02330	3.4
89.53413	0.3
93.16427	0.3
97.02836	0.4
98.19878	0.7
101.02350	1.1
113.02343	0.9
125.02343	1.4
131.03398	1.1
133.06487	1.9
137.02345	0.4
148.44969	0.3
149.04514	1.7
149.05966	0.3
161.04677	0.4
161.05954	1.9
165.05533	0.7
170.02461	0.3
193.40044	0.3
222.07683	0.4
241.97432	0.3
293.08829	3.8
345.37280	0.3
387.70206	0.3
433.59442	0.3
447.90240	0.3
515.19513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.7
60.01601	0.3
62.75540	0.3
64.76927	0.3
69.03341	0.5
71.01268	4.1
71.41633	0.3
71.60600	0.4
71.60967	0.3
71.61306	0.2
71.71311	0.2
72.99200	0.7
73.02828	0.7
74.62579	0.3
75.00764	0.4
83.01279	0.5
83.19768	0.3
85.02847	1.2
86.02380	3.7
87.00774	100.0
88.00301	9.7
88.01100	1.4
89.02338	3.6
97.02879	0.6
99.00786	0.3
101.02331	1.4
113.02350	1.1
121.02874	0.4
125.02374	1.2
131.03430	1.2
133.06526	3.0
134.03683	0.3
149.04500	1.6
149.06001	0.3
161.04704	0.5
161.06000	2.9
165.05533	1.1
191.05667	0.3
194.99550	0.3
222.07739	0.9
293.08829	3.3
294.09018	0.3
515.18781	0.4
515.32404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01263	9.5
60.73815	0.2
61.30051	0.2
61.98719	0.9
63.02271	0.2
65.00209	4.3
65.00532	0.3
68.99710	0.5
70.13206	0.7
70.13623	0.3
71.01270	1.5
72.99232	0.4
73.02842	0.6
75.00758	0.3
79.05437	0.2
79.92004	0.2
83.01302	0.3
83.04927	0.4
85.02844	0.9
87.00786	0.6
89.02351	1.1
89.03867	0.3
95.01293	0.5
96.95917	0.3
97.02869	0.2
99.00777	0.3
101.02340	1.4
105.07019	0.2
107.01269	0.2
107.04943	0.4
108.02080	1.1
109.02877	0.8
109.06489	1.7
113.02367	0.9
119.03434	0.3
121.02879	1.2
123.04463	0.4
124.01572	0.2
125.02381	0.2
127.03944	0.9
131.04991	0.2
131.08598	0.6
132.02094	0.3
133.02887	3.8
133.06516	10.1
134.06873	0.7
135.00822	0.3
135.04462	0.4
136.01550	0.5
137.02429	0.2
139.07565	0.4
147.04446	0.4
147.08076	0.4
148.01657	0.6
149.02374	1.6
149.06038	0.5
149.99626	0.4
151.07584	4.7
157.02863	0.3
159.04530	0.3
159.08118	0.3
161.02428	1.0
161.04466	0.3
163.00328	1.0
163.07648	0.3
164.01106	0.5
171.04491	0.3
173.02510	0.3
175.00276	0.5
175.03944	2.4
175.07584	3.4
176.01115	2.3
176.07922	0.2
177.01892	0.5
185.05977	0.3
186.06786	0.2
187.03888	0.2
191.07091	0.7
196.05315	0.2
197.06117	0.3
198.03145	0.4
199.03989	2.3
200.04369	0.3
201.01892	3.5
202.02357	0.2
203.07094	0.4
205.08751	0.3
209.05923	0.2
212.04842	1.0
213.05536	0.4
215.07162	0.4
216.04259	0.9
217.05072	0.2
219.06615	16.5
220.06992	1.0
223.11313	0.3
225.05563	0.2
226.06270	0.4
239.03497	0.6
239.10860	0.4
240.04291	2.0
241.05074	0.6
243.02855	0.4
243.06686	1.4
253.05208	0.4
255.02792	0.2
256.03790	0.8
257.90717	0.2
265.05225	0.2
265.09106	0.3
265.12430	1.2
266.05804	0.4
267.02997	0.5
267.10278	1.1
269.04630	0.4
270.05264	0.4
281.11951	0.5
282.05450	0.4
283.02646	1.1
283.09991	0.3
284.03305	4.1
285.03842	0.4
285.11371	2.0
291.10370	0.5
297.04202	1.3
298.04773	1.2
299.04999	0.3
309.04044	1.0
309.11356	3.3
310.04678	0.3
310.11719	0.3
315.12671	0.4
325.11011	0.6
330.03687	0.3
337.10950	0.6
349.10962	0.6
352.09741	0.3
353.10364	100.0
354.10709	12.1
365.10477	0.5
367.11755	0.6
372.89926	0.2
375.12451	0.8
377.10355	5.5
378.10962	0.9
395.11401	9.5
396.11670	1.2
407.11444	0.8
419.11432	0.6
473.27774	0.2
498.27350	0.6
515.07947	0.4
515.15662	7.3
515.27991	1.0
516.15839	1.0
516.28070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03338	1.0
58.00467	1.2
59.01263	20.3
60.01588	0.5
61.98706	0.5
65.64884	0.5
68.99692	0.6
69.03353	1.1
69.48208	1.1
69.48616	4.2
71.01270	20.8
72.99203	1.8
73.02831	4.8
75.00772	2.0
81.03342	1.0
81.97232	0.6
83.01266	3.9
85.02840	6.3
87.00775	2.0
89.02335	11.9
95.01299	2.0
96.95916	2.6
97.02865	2.6
98.02329	0.5
99.00780	2.8
101.02352	12.4
101.36414	0.6
102.02715	0.7
108.02077	3.8
109.02865	1.5
111.00791	6.7
111.04414	1.1
113.02362	7.4
119.03405	3.8
121.02930	0.7
123.00831	0.7
123.04432	3.1
123.08178	0.5
124.01589	1.6
129.01802	0.7
131.03427	0.6
131.04953	1.4
133.02898	1.4
134.03661	17.9
135.04465	6.7
136.05209	2.4
137.02382	1.8
141.01883	3.0
143.03430	1.0
145.02931	1.0
146.03683	1.7
147.04474	1.8
148.01595	4.3
148.05229	20.2
149.02451	1.4
149.06038	10.1
150.03152	1.7
153.01982	0.6
153.05510	0.7
158.03702	2.0
159.00909	0.7
159.03003	1.2
159.04439	2.2
160.01581	1.7
160.05217	6.9
161.02409	6.2
161.04507	9.1
161.05882	1.4
162.03175	16.0
162.06775	1.1
163.03969	7.3
163.07568	3.2
164.04744	6.9
165.05305	0.8
166.02623	0.9
167.03470	2.1
168.96339	0.5
172.05197	1.0
173.06068	2.6
174.03218	1.0
174.06621	0.6
175.03973	9.0
175.07497	1.1
176.01157	3.7
176.04712	9.9
177.01877	1.7
177.05521	29.2
178.02628	1.2
178.05959	2.2
179.03435	0.6
179.05585	2.0
179.07130	1.7
184.05228	0.7
185.06001	2.2
186.03192	0.6
186.06755	0.7
187.03949	2.3
188.04752	2.9
189.05449	3.0
190.02638	1.4
190.06259	1.1
191.03471	1.3
191.07080	11.6
192.04245	1.6
193.04993	1.6
193.08698	1.0
194.02174	4.1
195.06496	3.3
199.03981	0.9
201.05573	1.6
202.02742	0.9
202.06339	3.2
203.03482	2.1
203.07037	1.4
204.04271	14.4
205.05064	4.6
205.08652	1.1
207.06610	11.5
208.03856	0.9
208.06981	0.7
213.05577	2.0
214.06335	5.8
215.03606	0.6
215.07051	0.8
216.04254	1.6
217.05106	2.0
217.08701	3.2
219.06621	28.7
220.03729	1.5
220.07001	1.5
221.04492	1.3
221.08177	1.8
223.06131	5.7
229.05136	1.4
229.08704	5.8
230.05862	1.4
231.02950	0.9
231.06610	2.4
232.07425	6.9
233.04684	0.7
233.08208	0.9
235.06133	41.7
236.06421	3.0
245.08253	2.1
247.09775	18.4
248.10039	1.1
249.07722	3.2
249.11267	0.7
251.05638	100.0
252.05992	7.1
253.07220	3.5
254.07497	0.7
258.05389	7.5
259.05923	1.2
261.04117	1.0
261.07703	2.3
273.07751	20.0
274.08078	1.6
276.06454	0.7
279.08789	0.8
289.07343	3.0
291.08798	9.3
293.06766	5.9
293.09924	1.0
305.06912	0.9
309.09802	3.5
335.07840	5.5
347.10153	0.9
353.08618	1.1
403.03659	0.6
409.15033	1.9
423.13223	1.1
441.14230	4.0
442.14325	1.1
453.14130	2.8
471.15118	20.1
472.15552	2.9
473.46063	0.6
488.21429	0.7
515.14111	26.1
516.14246	3.0
519.37146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.3
60.01592	0.1
61.01701	0.2
61.98715	100.0
62.98430	0.1
62.99133	0.1
70.83778	0.2
71.01281	0.3
72.99200	0.1
73.02847	0.1
79.11620	0.1
81.03391	0.1
83.04914	0.2
85.02850	0.2
89.02357	0.2
95.01299	0.1
96.95924	0.1
101.02367	0.2
101.06038	0.1
109.02872	0.1
113.02352	0.1
122.06071	0.1
125.02401	0.1
125.92331	0.1
147.04475	0.1
149.06020	3.1
174.33060	0.1
175.90466	0.1
180.06790	0.1
243.65622	0.1
311.11475	0.2
353.12338	0.1
436.32913	0.1
442.86874	0.1
443.23840	0.1
452.33270	0.3
453.33676	0.5
454.17020	0.2
454.33859	1.6
514.18927	0.1
514.32513	0.4
515.18140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.8
57.03345	0.9
58.00478	1.2
59.01265	17.1
64.87291	0.7
69.31474	5.8
69.31886	1.6
71.01271	14.7
72.99194	1.4
73.02831	3.3
82.66574	0.8
83.01293	2.9
85.02831	3.7
85.82688	0.8
87.00780	1.2
89.02345	10.0
95.01297	1.6
97.02863	0.7
99.00785	1.7
101.02347	11.5
108.02076	2.0
109.02882	0.9
111.00809	3.9
113.02360	5.2
119.03431	3.9
119.04158	0.7
123.04430	2.9
131.04948	2.5
134.03664	8.3
135.04446	3.2
136.05138	0.8
141.01866	2.5
146.03638	0.8
147.04405	1.7
148.05238	18.4
149.05991	3.0
159.04506	2.0
160.05229	7.8
161.02411	5.2
161.04524	3.6
161.05766	1.2
162.03177	15.8
162.06793	0.8
163.03983	3.9
163.07579	3.0
164.04759	4.1
167.03438	1.9
171.04581	0.9
173.05983	2.4
174.03165	1.5
175.03937	3.4
175.07629	1.9
176.01096	1.8
176.04716	3.9
177.01965	1.3
177.05531	35.4
178.05959	2.7
178.83894	0.6
179.05519	1.8
179.07082	1.7
180.05907	0.8
185.06017	2.2
186.06764	0.8
187.03926	1.8
188.04750	1.4
189.05530	2.6
190.02696	2.5
191.07109	3.3
192.04227	2.1
194.02171	3.1
195.06610	4.1
199.04045	1.1
201.05540	1.9
202.06216	3.4
203.03534	1.6
203.07121	1.7
204.04257	13.5
205.05017	3.4
207.06601	11.4
213.05515	1.9
214.06355	6.4
216.04320	1.5
217.05132	1.7
217.08684	2.8
219.06630	24.2
220.07016	2.0
221.04593	1.0
221.08231	2.0
223.06042	5.1
224.06546	0.8
228.04097	0.8
229.05215	1.1
229.08762	4.8
230.05960	1.2
231.06786	1.7
232.07469	4.8
233.04683	1.4
235.06134	6.3
243.06590	1.1
245.08070	1.0
247.09793	11.0
248.10344	1.1
249.07796	2.9
251.05646	100.0
252.05963	7.7
255.06703	1.1
258.05411	10.6
261.07678	1.6
273.07721	23.8
274.08096	2.9
291.08771	4.8
293.06735	4.5
305.06583	1.3
307.08542	0.8
309.09872	2.5
335.07816	5.3
347.09857	1.4
351.38162	0.9
409.15259	1.1
441.14023	2.3
450.16931	0.7
453.14124	3.0
471.15210	23.3
472.15894	3.7
514.69141	0.8
515.14160	23.9
516.14349	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	513.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68489	0.0
55.01774	0.3
57.03337	0.2
58.00467	0.2
59.01263	6.5
60.01607	0.1
68.99704	0.1
71.01272	4.6
71.28599	0.0
71.60138	0.1
72.01602	0.1
72.99174	0.3
73.02839	1.1
77.24104	0.0
80.11002	0.0
83.01287	0.5
83.04918	0.2
83.64337	0.1
85.02842	1.0
87.00771	0.6
89.02335	3.7
91.03911	0.2
95.01283	0.4
97.02856	0.2
97.06469	0.1
99.00789	0.2
99.04427	0.1
101.02345	4.5
102.02691	0.1
103.03917	0.2
112.01533	0.1
113.02355	2.0
113.05988	0.1
114.02703	0.1
115.03936	0.1
119.03415	1.0
125.02360	0.2
127.07583	0.3
131.03442	0.1
133.05002	0.2
143.03459	0.4
145.05011	0.1
152.99513	0.1
157.05017	0.1
161.04506	1.5
179.05574	0.6
182.13029	0.1
187.06143	0.1
197.11839	0.1
205.19640	0.1
233.22754	0.3
235.08241	1.4
242.17976	0.0
253.09332	17.3
254.09703	0.9
259.20755	0.2
275.20245	0.3
277.21780	100.0
278.22122	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	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74733	0.0
55.01769	0.4
56.99701	0.0
57.03331	0.1
58.00475	0.3
59.01263	6.4
60.01590	0.1
68.99691	0.0
69.03354	0.1
71.01270	5.2
71.54520	0.1
72.01602	0.1
72.99194	0.3
73.02838	1.1
75.00789	0.0
78.95758	0.0
81.03362	0.1
83.01273	0.6
83.04910	0.2
85.02843	1.2
85.99991	0.1
87.00774	0.7
87.01289	0.1
89.02340	3.4
90.02693	0.1
91.03923	0.2
95.01285	0.3
97.02831	0.2
97.06477	0.0
99.00768	0.3
99.04423	0.1
101.02345	4.5
102.02668	0.1
103.03902	0.2
111.00793	0.0
112.01578	0.0
113.02357	1.9
113.06008	0.1
114.02731	0.1
115.03916	0.1
119.03403	1.0
123.08076	0.0
125.02384	0.2
127.07607	0.2
129.01891	0.0
131.03442	0.1
133.04968	0.3
141.09116	0.1
143.03418	0.5
145.04964	0.1
149.04517	0.1
152.99495	0.0
157.04982	0.2
161.04506	1.6
161.79198	0.0
162.04849	0.1
179.05585	0.5
182.12979	0.1
187.06206	0.1
197.11839	0.1
205.19408	0.1
217.07088	0.1
233.22833	0.3
235.08243	1.4
236.08514	0.1
253.09325	16.1
254.09729	0.8
259.20657	0.3
275.20132	0.3
277.21774	100.0
278.22116	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	513.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47960	0.6
59.01224	0.9
59.50264	0.7
69.35026	6.9
98.19872	1.6
115.11648	0.7
127.53200	0.6
148.05161	1.7
174.18445	0.7
181.01521	0.7
199.03979	0.9
212.04707	1.0
213.05609	1.3
214.06374	4.1
255.10318	14.7
256.10507	0.9
301.08737	1.0
319.09790	9.9
320.10263	1.6
328.10989	1.4
331.09781	1.4
333.04102	0.9
335.09268	1.1
336.10083	1.4
337.10919	16.1
338.11069	1.6
343.09756	1.7
347.05594	2.3
348.06253	2.7
349.07175	9.5
349.11731	1.4
354.08896	0.9
357.07715	0.9
357.14951	0.9
361.11002	1.0
367.13651	1.1
371.09427	2.1
372.10049	3.1
373.10806	1.4
375.08661	1.0
378.12680	1.3
380.10471	1.1
389.05408	1.7
389.10291	17.8
390.10806	4.1
395.13040	7.5
396.13116	1.5
411.08301	1.2
413.08597	0.9
413.13788	1.5
425.13303	1.5
429.08554	1.3
431.15079	100.0
432.15466	11.6
453.13293	18.4
454.13885	3.4
471.08878	1.0
513.06830	1.5
513.14227	29.9
513.27930	3.4
514.07849	1.3
514.14557	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	513.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65332	0.4
53.93770	0.4
59.01259	0.7
71.29395	1.0
73.32820	0.4
147.04440	0.6
148.05217	1.4
149.05983	0.6
164.71536	0.4
213.05515	0.9
214.06351	6.3
215.07103	1.3
216.43468	0.4
234.02910	0.4
255.10315	14.0
256.10645	0.7
291.10330	1.5
298.41888	0.4
303.06729	0.9
308.03064	0.5
315.10236	0.5
317.08398	0.7
319.06149	0.7
319.09778	8.7
320.03391	0.7
320.07263	0.5
320.10376	2.6
327.10425	0.5
328.11011	1.4
329.08081	0.9
330.05347	0.7
331.06116	1.5
331.09753	0.9
332.06558	0.6
333.04034	1.3
336.10095	1.4
337.10898	17.8
338.11249	1.7
343.09946	1.4
344.10565	1.0
345.11435	0.7
347.05640	2.6
347.09427	0.9
348.06339	3.1
349.07269	9.2
349.12213	1.4
350.07443	0.9
351.14050	0.8
353.08298	0.9
354.08908	0.6
355.09845	0.5
357.07724	1.1
367.13358	0.6
369.03931	0.5
369.15192	0.6
371.05255	1.2
371.09412	2.2
372.10153	4.3
373.10712	1.6
375.09171	1.6
377.11853	1.1
378.12646	1.6
380.10724	0.9
381.62256	0.5
389.05374	1.2
389.10385	16.7
390.10754	4.2
391.12003	0.5
391.58176	0.5
394.12152	0.6
395.12970	7.2
396.13339	1.3
403.15503	0.5
411.08395	0.9
412.09222	1.4
413.14191	1.8
425.13443	1.0
430.18820	0.5
431.15076	100.0
432.15414	15.7
444.08209	0.7
453.13293	21.0
454.13663	3.0
471.14383	0.4
478.29291	0.5
513.14587	11.0
513.28845	1.4
514.07825	0.6
514.14630	2.7
535.78229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10661	0.8
59.01099	3.3
59.01437	3.1
61.98543	3.4
61.98911	3.2
71.01086	3.3
71.01512	2.0
71.12287	2.0
72.99055	1.4
72.99382	0.8
73.02693	1.0
73.03043	0.7
75.00581	2.1
75.01041	1.4
83.01131	1.1
85.02683	1.7
85.03102	0.7
87.00619	1.5
88.00156	1.0
88.98527	1.0
89.02130	3.1
89.02718	1.1
95.04744	0.9
99.00575	1.0
101.02110	3.1
102.01722	1.5
110.05783	5.7
110.06609	1.2
113.02126	2.3
113.02869	0.8
116.92566	1.7
116.93339	1.0
117.01592	0.8
117.02820	0.8
117.92589	1.3
118.04819	0.9
121.04986	3.7
122.05780	8.2
122.06747	1.5
131.03233	1.0
144.04218	12.0
144.05437	1.5
146.05853	1.7
147.03030	0.9
148.03845	0.8
149.04298	1.1
150.05336	0.9
160.03693	2.8
160.04831	0.8
161.04408	1.3
162.05267	4.5
172.03705	8.4
172.05280	1.6
173.04417	2.4
174.05257	2.4
181.03110	1.7
186.05327	0.8
188.03214	4.1
190.04866	1.1
203.05844	6.6
204.06667	10.1
205.03600	0.8
205.06857	1.0
212.05646	0.9
224.10780	1.0
225.06419	1.4
236.09354	2.0
237.10434	5.4
238.10638	1.0
239.08142	3.8
240.08781	1.4
251.11909	7.7
252.10214	0.9
252.12610	3.7
253.05945	2.5
253.09807	3.7
253.12639	0.7
254.10231	1.0
255.11189	1.4
266.06906	1.6
267.07516	7.8
267.11130	2.3
268.08212	2.2
268.11823	2.1
269.12775	1.1
276.14435	1.3
279.07535	1.6
280.08258	2.2
281.09390	15.0
282.09631	1.2
295.10941	10.4
296.11707	25.5
297.11896	2.7
299.10263	1.5
300.11057	0.9
303.82037	0.8
311.10507	3.9
313.11606	1.2
325.12015	1.2
328.10727	13.1
329.11066	2.7
330.12903	2.6
340.10535	1.8
344.13623	1.0
374.18671	2.7
406.17499	4.6
418.17807	19.2
419.17975	1.9
436.13184	1.2
436.18893	17.8
437.18991	2.4
450.21060	1.6
452.17545	2.1
462.16730	5.1
463.17068	0.8
468.21512	1.1
480.17874	100.0
481.18182	12.4
494.19516	1.5
512.20557	35.0
513.21472	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	511.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.8
57.03331	3.7
58.00492	1.5
58.00835	0.9
59.01265	40.4
61.98719	10.0
67.71935	0.9
69.03344	1.2
70.75449	2.9
71.01269	45.6
72.99196	2.8
73.02837	16.0
75.00763	1.2
80.44346	0.9
83.01284	9.9
85.02840	22.4
85.99969	1.3
87.00777	2.1
89.02334	8.7
91.34736	0.8
95.01273	2.6
96.47485	0.9
96.95889	1.1
97.02863	1.4
99.00780	7.4
101.02345	44.0
102.02661	1.7
113.02357	18.7
125.02384	1.8
129.01918	1.2
131.03416	2.8
143.03441	3.0
149.04546	1.1
149.06067	1.6
159.02930	3.0
161.04495	13.5
209.11821	1.0
245.11511	2.3
267.12244	1.1
275.67615	1.0
289.10641	1.7
319.21317	100.0
320.21686	8.5
368.48114	1.0
379.21317	2.3
451.25571	76.8
452.25986	9.3
511.25415	3.3
517.07843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2925
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
57.03347	0.7
59.01265	1.4
61.98727	1.3
71.60555	0.7
71.61051	0.6
71.68550	0.6
83.04917	0.9
111.08070	1.3
165.12810	21.2
166.13144	1.3
183.13875	100.0
184.14221	5.7
209.11824	3.4
211.46375	0.6
227.12894	17.6
228.13155	0.9
283.15509	0.7
301.16617	12.3
449.29172	1.6
467.29968	2.4
493.28012	1.6
511.29214	44.2
512.29590	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	510.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05925	0.2
59.01268	5.5
60.01607	0.2
61.26988	0.2
61.98719	100.0
71.01271	2.4
71.63147	0.4
72.01617	0.3
73.02837	0.5
78.98504	0.2
79.95646	0.2
80.96398	1.5
81.03316	0.2
82.95995	0.3
83.01297	0.3
83.20139	0.2
85.02847	0.9
87.00787	0.2
88.98695	0.2
89.02341	1.5
90.02705	0.3
91.02747	0.3
94.98019	0.6
95.01344	0.2
97.02857	0.2
101.02318	1.1
112.55281	0.2
113.02378	1.0
114.02707	0.4
116.69809	0.2
119.03451	0.4
120.95881	0.2
125.02390	0.9
131.03450	0.6
133.83363	0.2
134.15329	0.2
137.02370	0.3
149.04532	0.7
157.12303	0.5
158.06073	0.9
179.05533	0.3
225.00739	0.5
293.08984	0.3
305.13190	0.7
337.10999	0.3
349.12149	0.3
410.09558	0.2
422.87991	0.2
434.17255	0.5
449.23239	0.3
450.23438	1.1
478.16641	0.8
510.17358	4.1
511.17081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.1
57.03325	2.1
59.01268	33.9
69.54385	7.7
71.01274	42.8
71.19722	0.9
71.26952	0.8
72.99187	1.7
73.02840	16.1
83.01279	8.9
85.02360	1.8
85.02845	22.7
87.00759	1.9
89.02343	7.2
95.01308	2.2
96.95908	1.1
97.02847	1.3
99.00780	8.3
101.02347	37.4
102.02702	1.0
111.00816	1.4
113.02361	16.8
116.92781	12.3
125.02344	1.2
129.01820	1.2
131.03481	1.8
135.03128	0.9
140.07103	1.6
143.03433	1.9
149.04466	1.1
159.02991	2.3
159.04367	1.5
161.04521	9.7
216.07912	1.9
244.11075	2.6
245.11819	2.5
303.15808	0.9
319.21320	100.0
320.21594	8.7
396.79831	1.1
446.23682	0.9
451.25583	62.9
452.25848	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	510.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.6
59.01268	10.0
60.01621	0.6
61.98717	6.9
69.03274	0.5
71.01268	4.8
71.54402	0.8
72.99205	1.2
73.02829	0.9
74.02378	1.1
75.00764	1.7
80.04945	1.0
83.01280	0.8
85.02836	3.3
87.00759	1.2
89.02338	3.6
95.01261	0.6
96.95918	1.1
99.00795	0.9
101.02336	2.8
106.06515	2.7
108.04450	6.7
108.08115	1.9
109.02841	0.6
110.00064	0.5
110.05991	2.3
111.00799	1.0
113.02341	1.2
116.03434	1.1
118.06532	0.9
119.03427	0.7
121.02899	0.7
121.05271	1.2
122.02388	0.7
122.06075	2.7
125.02386	1.2
131.03453	0.8
134.06068	3.7
136.07608	10.3
137.02344	0.5
139.00282	0.6
141.01863	0.5
146.06068	1.9
149.04428	2.3
150.05505	0.6
152.07115	9.7
153.07449	0.6
160.07626	2.1
161.71077	0.5
162.05563	1.6
162.09193	8.3
163.09569	0.6
165.01848	0.7
165.05481	1.1
166.18068	0.5
169.01367	0.6
178.05022	0.6
178.99741	0.6
179.05545	0.7
180.06630	33.5
181.06889	1.5
184.57329	0.5
188.07066	1.4
191.01979	0.6
191.83992	0.5
194.99263	0.8
206.08296	3.3
210.08096	0.6
210.70804	0.4
215.11943	1.0
224.09518	1.2
224.58762	0.4
225.10321	6.5
229.46931	0.5
238.11140	2.0
239.11900	6.6
244.04207	0.5
251.08084	0.5
253.09877	13.1
253.13531	1.4
254.10309	1.4
254.14304	0.6
255.11539	2.6
257.13062	0.6
262.14627	0.5
265.09607	0.7
266.10654	2.7
267.11450	10.8
268.11667	0.7
281.13046	7.0
282.13745	8.3
282.48550	0.5
283.14206	1.2
285.12457	1.0
293.09232	0.8
307.10901	0.8
325.11984	1.4
326.12854	2.4
327.05228	1.3
347.14740	0.7
348.15518	1.9
376.16568	0.7
408.19443	1.0
420.19437	2.0
430.17859	0.7
436.18768	5.2
437.19159	0.9
438.20331	0.7
447.09354	1.7
448.18854	23.3
449.19165	3.5
450.19788	1.7
462.19867	0.5
466.19925	100.0
467.13733	1.0
467.20221	17.6
492.17776	1.1
510.19339	1.8
510.29953	1.2
511.11078	2.0
511.18127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22564	1.0
59.01266	7.1
61.98719	8.9
65.85202	0.9
71.01262	3.3
71.61574	1.5
73.02838	1.3
75.00742	1.2
83.01291	1.0
85.02855	7.4
89.02321	2.3
95.01313	0.9
101.02348	2.6
109.02852	3.2
119.04918	0.9
121.02866	1.9
122.03663	2.0
125.02350	1.7
133.02876	11.1
135.04387	1.8
137.02336	1.2
147.02939	1.2
147.04456	2.1
149.02312	2.3
149.06013	1.3
151.03967	1.2
157.27885	0.9
158.81897	1.0
160.03981	3.2
161.02422	1.3
161.04529	0.9
163.00250	1.5
163.03954	4.3
165.01923	1.7
165.05540	2.9
175.03954	3.0
177.01865	1.2
179.03404	1.2
180.06612	3.3
182.36700	0.9
191.01944	3.9
191.03468	1.9
193.01422	1.2
201.01833	2.1
213.05428	1.3
243.02939	1.0
253.09796	1.4
284.03217	9.7
285.04028	7.5
297.04123	15.0
298.04852	11.6
299.05652	21.6
300.06006	2.7
309.04254	1.1
311.05743	2.4
327.05161	93.0
328.05481	10.5
339.05200	2.6
347.14899	7.8
348.15103	6.7
357.06235	22.6
358.06375	2.5
369.06366	2.9
447.09409	100.0
448.09698	14.0
466.19986	6.8
467.20013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01017	0.7
59.01265	5.8
59.85600	0.7
61.98720	13.9
62.10532	0.6
63.02288	0.8
71.01272	3.2
71.60986	1.1
73.02828	0.8
82.93571	0.7
83.01254	0.9
85.02855	1.7
87.00756	0.7
89.02345	2.3
101.02338	1.2
107.01297	2.9
109.02853	2.8
119.80364	0.8
121.02850	2.7
128.03415	0.9
151.00319	8.1
157.06099	0.8
163.00310	2.5
169.01295	1.2
171.04471	0.7
175.02478	0.7
178.99855	5.6
190.99821	0.8
211.04085	0.8
215.03691	0.7
227.03537	1.7
229.05170	1.6
230.05397	0.9
243.03032	5.8
245.04619	1.7
254.02356	1.5
255.03043	16.4
256.03473	1.7
271.02518	29.2
272.02972	3.5
273.04016	0.8
283.02606	1.3
300.02802	61.1
301.03555	44.3
302.04001	3.8
328.11499	2.5
447.09406	100.0
448.09711	13.2
509.29364	3.5
510.30383	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
56.99739	0.3
57.03340	0.9
57.42527	0.3
58.39580	0.3
59.01263	16.0
59.97193	0.3
60.01599	0.5
61.98717	6.4
67.09224	0.3
69.53389	0.8
69.53785	2.4
71.01265	5.5
71.63554	0.3
72.99200	1.0
73.02831	1.6
83.01286	0.9
85.02831	2.0
87.00793	1.5
88.98697	0.5
89.02334	3.6
91.00264	0.5
96.95920	1.1
101.02348	4.9
102.02696	0.4
107.62715	0.3
109.02848	0.5
113.02341	2.8
119.03394	1.0
125.02385	0.7
131.03485	0.7
143.03392	0.5
149.04465	0.4
161.04515	2.3
165.01854	0.3
179.05576	1.0
183.13879	12.4
184.14224	1.3
195.13887	11.0
196.14151	0.5
211.13362	0.4
213.14952	100.0
214.15294	6.4
235.08218	0.4
253.09320	26.9
254.09647	1.5
270.05368	0.4
337.10657	0.4
347.18353	0.5
375.27255	0.4
449.23273	2.1
479.20547	0.7
491.20734	0.5
509.24847	0.6
518.05414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80787	0.3
57.03324	0.7
58.00504	0.8
58.67577	0.4
59.01266	20.8
61.98721	3.1
62.01847	0.3
69.71954	1.9
69.72357	0.8
71.01270	7.8
72.99200	0.7
73.02831	2.0
75.00777	0.5
83.01281	0.9
85.02858	2.7
87.00760	0.9
88.98732	0.5
89.02337	6.3
96.95920	0.6
97.02853	0.4
98.19830	0.7
99.00772	0.6
101.02345	6.3
102.62762	0.4
108.02087	0.4
113.02357	3.1
113.81346	0.3
119.03413	1.0
125.02357	1.2
131.03413	1.2
141.25568	0.3
143.03462	0.6
145.51263	0.4
149.04486	1.7
153.09273	0.4
155.10733	4.5
156.11148	0.4
161.04483	2.0
168.26440	0.3
177.12762	0.4
179.05589	1.1
183.13872	10.8
191.05663	0.5
195.13889	10.8
196.14215	0.7
213.14958	100.0
214.15300	6.8
233.06931	0.4
253.09334	29.1
254.09767	2.0
293.08862	2.3
293.41208	0.4
315.25464	1.1
328.71878	0.4
329.13968	0.4
344.84821	0.4
366.94211	0.3
389.25650	0.8
430.62744	0.4
498.29953	0.4
508.68814	0.4
509.25299	4.3
510.26193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45450	0.6
55.01765	4.2
57.03333	3.3
58.00471	0.9
59.01263	38.9
61.98725	3.7
69.03349	0.6
70.09997	2.2
71.01268	41.3
72.01585	1.2
72.99196	2.0
73.02835	17.8
74.10203	0.5
75.00769	1.0
79.36614	0.6
83.01276	9.7
85.02846	23.1
85.99982	1.3
86.03149	0.6
87.00751	1.8
87.04408	8.5
89.02332	7.1
95.01309	3.5
97.02831	1.4
99.00777	7.1
101.02345	46.2
102.02703	1.2
111.00780	0.9
113.02352	19.3
114.02705	0.7
119.03392	1.0
125.02343	2.2
129.01878	1.6
131.03400	1.5
143.03450	1.1
149.04482	1.0
149.11740	0.6
159.02901	3.5
161.04485	11.7
217.26733	0.7
259.00873	0.6
317.19736	100.0
318.20053	10.3
337.10980	0.9
361.18839	1.6
449.23990	68.1
450.24280	8.8
508.35980	0.8
509.15695	0.7
509.26105	2.2
509.36145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
55.63068	0.9
57.03339	1.6
58.00477	1.7
59.01268	100.0
60.01599	1.6
61.98717	1.4
69.03342	1.1
71.01271	34.4
71.61921	1.0
71.62316	1.1
72.99206	2.9
73.02835	16.5
73.35462	0.7
75.00777	3.2
83.01276	5.9
85.02848	11.7
87.00775	6.6
87.04427	2.3
89.02340	25.8
95.01315	2.4
97.02850	1.0
99.00819	1.9
99.04435	2.1
101.02351	29.0
101.05997	1.0
103.03902	4.4
106.94359	0.7
109.02910	1.2
113.02360	16.3
114.58067	0.7
115.03934	2.8
119.03429	12.3
119.04957	1.4
121.02911	2.0
125.02362	1.9
131.03430	8.2
131.58284	0.7
137.02409	1.6
143.03429	9.2
145.05016	1.4
149.04538	4.0
149.05772	0.6
151.00369	0.9
156.54126	0.8
159.61621	0.8
161.04556	4.9
163.06067	10.4
179.05577	3.6
191.57838	0.9
205.07175	9.5
206.07843	0.7
217.87320	0.7
221.06766	1.5
227.07259	1.0
243.12527	0.9
247.08362	3.5
261.13651	1.1
262.57257	0.7
271.06384	2.6
303.14563	0.9
369.50583	0.8
407.19321	58.3
408.19513	5.6
447.09976	0.8
449.20380	49.7
450.20911	6.9
463.21979	0.9
509.22275	1.9
509.29974	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	509.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	20.6
59.01263	21.6
61.98722	1.6
69.07646	0.7
71.01271	6.2
71.63345	1.4
72.99190	1.6
73.02833	1.2
75.00771	1.3
80.02424	0.8
80.91579	4.5
82.02871	2.3
82.18878	0.6
83.01240	1.0
85.02843	2.3
87.00738	0.9
87.04426	0.6
89.02331	3.3
99.00793	0.8
99.04418	12.0
101.02338	9.7
113.02364	1.9
119.03370	1.0
123.00790	0.7
125.02425	3.3
137.02351	0.9
145.07654	59.2
146.07964	2.0
149.06046	1.0
161.04517	7.6
170.07172	1.4
180.16988	0.7
183.02957	0.6
185.10802	0.7
188.08266	43.8
189.08562	2.3
197.04529	1.5
210.10297	1.2
214.09863	29.9
215.10213	2.0
226.09857	1.2
228.11386	1.3
238.09846	0.8
240.11519	0.8
244.10966	1.9
256.10974	17.3
257.11298	1.8
261.12509	0.7
268.10913	1.7
275.90152	0.6
279.13519	1.0
281.43457	0.6
286.12219	1.5
304.13083	19.0
305.13593	1.5
322.14142	100.0
323.14526	9.3
364.15060	2.2
365.14725	4.4
366.14975	0.7
434.17557	0.9
452.48755	0.7
466.18912	1.6
478.16272	0.8
489.21335	0.7
509.13358	1.3
509.30197	5.6
510.17865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	38.0
58.03664	0.4
59.01268	19.8
61.98735	0.5
70.96748	0.3
70.97101	0.8
71.01275	3.6
72.99214	0.8
73.02843	0.4
79.38464	0.3
81.03372	0.4
82.02881	2.9
85.02858	0.7
87.00777	0.4
89.02338	2.4
98.02356	0.6
99.04425	21.9
100.04768	0.6
101.02350	10.1
102.02699	0.3
110.02416	0.6
113.02371	0.7
119.03432	0.7
119.05018	0.3
121.02860	1.5
122.03677	0.4
123.04455	0.4
125.02378	4.4
126.02610	0.3
133.02879	1.3
134.03662	1.0
135.04480	0.3
137.02411	0.3
143.03406	0.4
145.07657	64.3
146.08014	3.7
147.04451	0.7
149.02374	1.9
149.06049	1.7
150.03189	3.3
161.04510	12.3
164.04735	0.6
165.05502	1.5
170.07191	3.4
179.07152	0.7
185.10803	0.5
187.08804	0.5
188.08270	43.4
189.08556	2.2
201.10490	0.4
210.10390	1.3
213.10295	0.4
214.09860	32.8
215.10138	2.3
226.09804	1.3
228.11421	1.7
230.09348	0.3
238.09834	1.0
244.10945	2.9
245.11314	0.6
255.10306	0.3
256.10971	18.4
257.11276	1.3
261.12518	0.5
268.10968	2.3
279.13474	0.8
286.12027	1.5
295.47842	0.3
302.98654	0.3
304.13104	31.3
305.10962	0.7
305.13458	1.8
315.25482	0.8
322.14154	100.0
323.14474	9.9
329.14011	0.4
342.69873	0.3
347.12985	0.6
364.15198	2.9
365.14780	6.7
366.14792	0.5
405.16971	0.5
407.15738	0.5
449.16074	1.3
449.27600	1.6
466.18411	4.5
467.18524	0.4
509.22043	8.4
509.28610	0.3
510.22543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.171
Annotation	Marikarin
Peak:m/z	Relative Intensity
57.03336	0.8
59.01265	9.7
60.01587	0.4
60.99192	0.4
61.01695	0.4
61.98716	12.6
63.96124	1.1
69.03355	0.6
70.49637	1.2
71.01270	11.2
72.01605	0.5
72.99202	0.6
73.02840	2.4
75.00775	0.3
78.98479	5.4
79.95626	7.7
80.96410	59.7
81.03339	0.7
83.01284	0.5
85.02842	3.2
87.00754	2.3
88.98700	2.7
89.02334	3.1
94.97981	15.5
95.01295	0.7
96.95907	1.2
97.02854	2.0
99.00789	1.2
99.04417	0.4
101.02343	5.0
106.97983	3.5
107.76720	0.3
113.02368	1.9
119.03400	0.7
122.97499	2.9
124.07600	0.3
125.02357	4.0
127.03948	0.8
131.03430	0.7
134.97514	3.7
136.99084	1.2
137.02312	0.3
139.85587	0.3
141.54472	0.3
146.97505	0.4
148.99091	6.1
149.04503	1.2
149.99515	0.3
150.04903	0.3
152.98567	6.2
161.04555	1.0
164.98587	11.6
164.99988	0.6
165.12804	0.7
167.00180	0.5
182.99643	0.5
183.13889	1.0
206.99666	3.3
212.79970	0.3
225.00745	17.2
226.01086	0.7
243.01790	0.8
250.57272	0.3
287.22687	0.3
315.25525	0.4
317.19614	0.6
389.25531	0.4
449.23813	4.7
509.17065	100.0
510.17419	14.0
510.25162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1309
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03336	5.3
59.01265	7.2
61.98713	0.6
63.02274	1.8
65.00201	2.5
65.72495	0.6
69.03326	1.6
71.01272	5.7
71.18142	1.1
72.99184	1.3
73.02821	1.7
74.02354	1.7
75.00739	2.4
78.95782	0.7
83.01273	5.0
84.01619	0.5
85.02367	0.5
85.02836	3.3
87.00745	1.1
89.02341	3.6
93.39893	0.5
95.01286	21.4
96.02081	0.8
101.02346	3.2
107.01316	3.2
108.02090	1.4
109.02840	0.7
111.00787	6.2
113.02335	2.6
115.03921	1.3
116.03442	2.1
121.02859	1.3
122.03644	2.9
123.00803	10.5
123.04432	1.0
124.01588	23.9
125.02370	45.0
126.02683	1.3
129.01846	0.8
131.03374	0.8
135.02921	0.7
135.04486	0.7
136.01578	1.3
137.02341	2.2
139.00330	6.5
140.01079	1.7
147.04410	0.8
149.02319	0.7
149.04449	1.7
150.03145	2.6
151.00305	15.7
151.03926	1.0
152.01089	29.9
153.01785	1.8
161.04518	0.8
161.05920	0.6
165.01865	7.1
165.05551	5.2
169.01369	1.0
178.99818	19.9
179.03461	3.1
179.07028	0.6
180.00400	0.7
193.05089	1.0
195.06586	1.2
204.54414	0.6
207.03046	0.8
222.05338	1.3
229.05122	0.9
231.02928	0.9
237.07733	2.0
244.07373	1.5
245.04500	1.7
246.05231	0.7
259.09802	1.1
260.06918	0.9
261.07745	3.5
262.08023	0.8
273.04059	1.6
275.09509	1.1
282.24567	0.6
285.04050	0.7
288.06400	2.4
299.02121	0.8
301.07288	0.9
303.08734	3.5
304.05957	3.4
318.15616	2.0
319.08276	33.4
320.08624	2.4
329.06757	2.5
331.04553	2.0
346.07034	1.0
347.07837	30.4
347.14905	22.2
348.08075	2.2
348.15405	2.1
449.24136	1.0
450.19708	2.5
509.13113	100.0
510.13348	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	507.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.0
61.98712	0.5
62.94878	0.3
63.55940	0.3
64.36171	0.3
70.72989	0.3
70.73891	0.3
71.55929	0.5
78.95795	24.3
81.56069	0.3
96.96857	1.8
109.99581	0.3
133.80025	0.3
150.97957	0.6
152.99524	36.5
153.99849	0.4
169.26663	0.3
171.00656	1.5
196.88484	0.3
227.03255	4.5
245.04410	1.5
261.22302	0.6
279.23349	100.0
280.23682	10.1
415.22519	0.9
437.13971	0.4
507.27377	68.8
508.27689	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	507.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00047	0.2
55.01772	3.5
57.03333	3.8
58.00478	1.5
59.01263	31.7
60.01611	0.4
61.98714	2.4
64.83512	0.2
68.99722	0.3
69.03333	0.8
69.31818	0.5
69.32225	2.1
71.01266	51.1
72.01609	0.8
72.99196	2.5
73.02834	13.6
74.03182	0.3
75.00751	1.1
82.90682	0.2
83.01275	7.3
84.02078	0.3
85.02839	24.0
85.99968	0.2
86.03190	0.9
87.00771	3.2
88.98701	0.5
89.02334	11.5
90.02660	0.3
95.01287	4.2
96.95898	0.3
97.02852	1.4
99.00777	6.5
101.02341	37.3
102.02688	1.0
109.02787	0.2
111.00797	1.5
113.02353	19.1
114.02677	0.7
119.03412	4.0
123.65350	0.2
125.02364	1.0
129.01863	1.1
131.03397	0.6
132.13696	0.3
135.06540	0.2
139.00267	0.3
141.01892	0.2
143.03416	2.5
144.03757	0.2
147.61115	0.2
157.12328	0.3
159.02933	5.2
161.04494	18.8
162.04842	0.7
179.05588	1.1
205.03522	1.2
223.20638	0.5
263.57602	0.2
266.19772	0.2
299.25897	1.9
345.30133	10.9
346.30493	1.5
489.11819	0.3
507.35434	100.0
508.35757	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	507.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24905	0.8
55.01766	1.7
57.03337	3.2
58.00470	2.4
59.01264	100.0
60.01610	1.5
61.98712	15.6
69.03345	1.1
69.43225	6.1
69.43638	1.7
71.01270	63.5
72.01608	0.9
72.99197	3.3
73.02827	10.7
75.00750	1.5
83.01275	5.0
84.62553	0.7
85.02840	14.2
87.00792	4.0
89.02338	73.4
95.01299	2.9
96.95970	0.9
97.02847	2.1
98.19882	1.9
99.00776	5.2
101.02348	38.3
102.02659	0.8
102.29895	0.7
111.00803	0.9
113.02362	21.1
114.02692	1.4
119.03426	17.8
121.02885	1.5
125.02348	3.2
127.03996	0.7
131.03427	17.9
135.04460	5.1
137.02359	2.5
143.03452	4.0
149.04494	36.1
150.04872	0.9
161.04486	7.4
166.19728	0.9
167.10696	1.4
179.05576	12.8
184.03717	0.8
189.51367	0.8
191.05585	6.8
223.09854	1.0
251.07770	1.5
253.75572	0.8
293.08881	2.2
303.12451	4.4
308.36237	0.9
311.09735	1.1
315.14536	1.6
315.18188	27.9
316.18661	1.9
339.09479	1.0
345.17087	1.2
359.17139	1.1
375.27542	2.0
387.23819	0.9
432.19235	1.1
447.22440	55.7
448.22723	5.8
459.18143	1.1
463.25241	0.8
475.15268	1.1
477.19019	1.0
507.23184	4.2
507.33917	1.0
508.22107	1.3
509.67877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
57.03323	1.9
58.00457	0.8
59.01265	55.0
60.01593	0.6
61.98726	2.6
69.03343	1.4
70.65451	1.1
70.65845	1.0
71.01270	36.4
72.99217	3.1
73.02837	8.6
75.00765	1.3
83.01278	4.5
83.04880	0.7
84.74069	0.5
85.02843	12.0
86.03220	0.6
87.00782	2.5
88.98706	3.4
89.02340	20.5
95.01282	2.4
96.95909	4.8
97.02875	0.8
97.82134	0.5
99.00761	4.1
101.02349	23.7
104.45455	0.5
111.00778	2.2
113.02357	12.2
113.03156	0.6
119.03413	1.8
121.02770	0.6
125.02341	3.1
131.03423	10.5
137.02377	1.2
143.03401	1.6
149.04488	4.6
159.02965	2.1
161.04492	9.1
187.02652	2.0
191.05594	2.4
213.14992	1.1
219.01685	1.1
231.54677	0.6
281.23633	0.6
293.08792	1.1
309.08820	1.6
315.18173	13.8
316.18423	1.1
321.82687	0.5
327.09967	3.9
330.14771	0.7
345.16760	1.0
375.20078	1.0
383.15115	0.6
421.24432	0.6
447.22382	100.0
448.22726	12.6
479.06012	0.6
507.23822	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	507.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57797	0.3
57.03371	0.4
57.07299	0.3
59.01267	4.7
64.05230	0.3
68.17228	0.2
68.78683	0.3
69.75220	2.0
71.01271	3.5
73.02882	0.9
75.00818	0.8
81.03386	0.3
83.01340	0.4
84.04488	0.4
85.02837	1.5
87.00838	0.4
88.98730	0.3
89.02348	1.6
93.03423	0.3
94.02927	0.3
95.03732	1.2
96.04476	0.5
96.95927	0.3
99.00825	0.6
101.02354	1.9
102.01938	0.6
104.05017	0.4
106.06544	1.4
107.05006	0.4
109.02917	0.4
110.06088	0.4
112.03960	0.6
113.01743	0.3
113.02348	1.4
116.69930	0.3
119.03499	0.8
120.04535	0.3
121.02922	0.7
122.06018	1.7
123.04422	0.3
124.07605	3.9
124.08432	0.3
132.04482	23.9
133.05278	11.4
134.06067	3.6
134.06825	0.3
137.02423	0.4
138.05573	0.4
148.04031	1.0
149.04619	0.4
150.05605	0.9
160.04112	0.7
161.04602	0.4
165.04263	14.2
166.04550	0.5
176.03534	1.7
176.07158	0.6
177.04303	2.8
178.05052	1.7
179.05605	0.3
184.07753	0.4
186.09196	1.5
195.06822	0.3
198.09341	0.5
201.10602	0.3
209.03276	4.5
212.10840	0.4
213.06734	1.0
214.12369	2.9
215.11867	4.5
226.07588	0.7
227.08336	0.4
229.09837	3.0
239.11903	0.4
240.10719	1.6
241.09898	2.7
255.11438	1.1
256.11768	0.3
257.12988	22.4
258.13345	2.1
268.08771	0.4
272.08124	0.4
273.08878	0.4
283.10965	10.0
284.11322	1.1
301.11981	11.6
302.12357	1.2
327.09851	1.0
345.10992	100.0
345.15372	6.0
346.11334	9.2
346.15582	0.6
367.12527	0.4
387.12079	0.7
403.19815	0.4
464.18576	0.4
507.16208	11.1
508.16785	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75140	0.2
55.01772	0.8
57.03324	0.9
58.00469	1.0
59.01266	30.9
60.01599	0.4
60.12870	0.2
61.98702	0.9
66.24393	0.3
69.03326	0.9
70.91430	0.4
70.91782	0.6
71.01272	29.6
72.01600	0.8
72.99184	1.3
73.02451	0.4
73.02839	6.2
75.00740	0.3
83.01274	2.5
85.02843	9.0
86.03178	0.3
87.00767	2.6
88.98722	0.5
89.02342	17.3
90.02627	0.3
95.01277	1.2
96.95882	0.7
97.02853	1.0
97.47525	0.3
99.00774	2.0
101.02351	12.6
102.02660	0.6
106.33148	0.3
111.00758	0.4
113.01634	0.5
113.02363	6.5
119.03421	2.6
125.02332	1.3
131.03435	9.3
143.03394	0.6
149.04498	1.6
161.04506	1.3
163.05101	0.3
165.12796	0.6
183.13872	1.7
187.02745	0.3
191.05592	4.9
192.05928	0.3
195.13893	5.4
196.14272	0.4
213.14954	3.7
227.03613	0.4
227.12935	0.4
249.05618	0.3
254.02237	3.0
255.02962	2.4
269.04590	1.8
270.05276	1.0
284.06949	2.0
285.07706	2.1
297.12024	0.4
312.38840	0.3
327.09802	0.6
357.19217	0.8
374.22870	0.6
375.20090	7.9
376.20654	1.0
432.10764	0.7
447.13284	2.4
447.25894	1.2
462.01553	0.3
489.23984	0.6
506.26450	0.3
507.24539	100.0
508.24918	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	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03327	2.1
58.00486	1.5
59.01266	60.9
60.01591	0.7
61.98710	1.8
69.03316	1.1
69.31114	2.0
69.31541	5.1
71.01273	47.2
72.01633	0.9
72.99194	2.1
73.02837	11.6
75.00794	0.8
83.01279	6.0
85.02845	16.3
87.00779	3.3
88.98694	2.3
89.02338	29.8
90.02731	1.1
95.01292	2.6
96.95934	0.7
97.02880	2.0
99.00797	3.8
101.02352	32.4
102.02701	0.7
109.02876	0.7
111.00768	3.0
113.01625	1.2
113.02363	15.9
115.03979	0.7
117.72723	0.6
119.03419	3.5
125.02357	3.8
131.03426	13.6
143.03409	1.7
149.04486	9.1
159.02933	3.0
161.04517	12.1
165.12793	5.1
179.05591	1.1
183.13867	19.1
184.14189	1.2
184.47272	0.6
191.05638	3.7
220.15681	0.6
227.12898	10.4
233.06746	2.0
293.08862	1.5
297.11923	3.1
315.18228	17.7
316.18491	1.6
327.09729	1.0
329.23135	0.8
353.67770	0.9
447.22440	100.0
448.22787	12.4
507.17621	1.1
507.24557	14.3
508.25171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.303
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
54.48994	0.6
57.03317	1.7
57.11224	0.6
59.01268	12.5
61.98711	2.4
65.78222	0.5
70.10278	2.0
70.10678	1.2
71.01269	16.0
72.99191	4.2
73.02843	0.9
75.00330	0.7
75.00762	14.1
83.01266	1.3
85.02845	18.7
87.00769	5.7
89.02340	4.1
90.49734	0.6
95.01269	4.0
96.95900	1.9
98.20459	0.9
99.00782	8.8
101.02331	0.7
101.12065	0.7
103.00267	1.8
111.00790	1.0
113.02357	27.5
114.38464	0.7
115.00277	1.5
117.01868	1.5
122.46452	0.6
129.01866	1.2
139.00320	0.9
142.34169	0.6
175.02446	2.6
205.07117	1.8
229.56458	0.6
231.05138	0.9
249.06212	5.3
255.23323	68.0
256.23697	5.7
267.07193	5.3
279.23300	1.4
301.07950	0.6
348.39847	0.6
487.29453	1.8
505.30258	100.0
506.30621	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	505.3547
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
58.31287	0.3
59.01179	2.7
59.01502	0.4
61.98650	0.4
70.17556	1.4
71.01164	0.4
71.04818	2.6
83.04836	0.4
85.02769	0.4
96.95822	0.3
97.06423	0.6
101.05907	0.5
107.04848	0.4
111.08065	5.5
121.06436	0.7
123.07954	0.9
125.09506	0.3
137.09648	4.8
139.11218	23.1
140.11418	1.1
179.14288	0.6
237.14827	0.3
239.16512	3.0
247.17001	2.1
248.17267	0.4
261.18723	1.8
265.18158	0.4
275.20096	0.6
277.21619	1.1
289.21701	0.5
301.21518	0.5
303.23315	1.3
307.81671	0.4
356.31332	0.3
401.34320	0.9
417.37653	0.4
425.30493	0.5
427.32315	3.3
428.32339	0.5
441.33859	1.2
443.35391	56.7
444.35767	9.1
461.36398	2.8
462.36896	0.4
487.34955	0.4
505.35535	100.0
506.35831	19.3
506.43570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17548	0.2
55.01776	1.1
57.03334	1.5
58.00483	1.2
59.01266	36.5
60.01601	0.4
61.98712	1.2
68.02522	0.2
69.03355	0.8
69.45856	1.9
71.01272	31.0
72.01609	1.0
72.99202	2.0
73.01701	0.3
73.02838	7.3
74.03188	0.3
75.00756	0.6
77.30284	0.2
81.03350	0.3
83.01282	3.0
84.01593	0.3
85.02844	9.7
85.25131	0.2
86.02365	0.3
86.03185	0.6
87.00775	2.9
88.98704	0.4
89.02341	19.4
89.85569	0.2
90.02676	0.3
95.01304	1.2
96.95926	0.5
97.02865	0.8
98.19800	0.4
99.00779	2.5
101.02348	14.2
102.02689	0.7
113.02357	7.4
114.02667	0.5
115.03922	0.3
119.03421	2.8
125.02368	1.4
131.03429	10.0
132.03780	0.2
137.02541	0.3
143.03432	0.6
149.04518	2.1
161.04507	1.9
162.04823	0.5
165.12778	1.2
175.02664	0.2
179.05588	0.2
183.13861	2.2
187.02722	0.5
191.05574	5.8
195.13881	6.9
196.14229	0.3
213.14958	4.5
213.61497	0.2
214.15269	0.3
219.01682	0.4
226.02806	0.4
227.03488	0.8
227.12874	0.9
254.02252	7.5
255.03009	6.9
256.03458	0.6
269.04611	4.0
270.05362	2.7
284.06985	6.0
285.07739	5.1
286.08185	0.4
297.08768	0.3
297.11951	0.6
309.08835	0.9
327.09750	1.6
328.75186	0.3
357.19278	0.8
373.22369	0.8
374.22729	2.3
375.19919	7.5
376.20465	1.0
417.07968	0.3
432.10602	1.7
433.10953	0.3
447.13083	7.1
447.21262	0.4
447.26935	1.5
448.13248	0.9
489.23328	0.5
506.27060	1.1
507.24533	100.0
508.24927	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	505.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59185	0.1
55.01772	5.0
57.03341	4.3
58.00486	1.5
59.01267	34.4
60.01602	0.5
61.98711	0.2
62.03891	0.2
67.01788	0.2
68.99700	0.4
69.03349	1.8
71.01272	69.3
71.61967	0.2
72.01613	1.0
72.99201	3.3
73.02837	29.3
74.03167	0.5
75.00767	2.6
81.03349	1.0
81.09122	0.1
83.01279	11.8
84.02053	0.4
85.02843	34.6
86.00000	1.7
86.03166	0.7
87.00773	4.0
87.04398	0.2
89.02338	17.7
90.02670	0.3
90.44306	0.1
91.01810	0.2
93.03339	0.3
95.01285	5.5
97.02856	3.1
97.06509	0.1
99.00783	13.0
99.04424	0.5
101.02348	53.3
102.02680	0.9
103.03896	0.2
107.01314	0.4
108.02081	0.6
109.02880	1.4
111.00788	1.8
111.04392	0.2
113.02359	25.2
114.02663	0.7
115.03928	1.7
117.01882	0.2
119.03415	1.9
121.02847	0.4
123.04433	0.6
125.02372	4.5
125.05998	0.2
126.02680	0.2
127.03933	0.2
129.01849	1.6
131.03432	4.6
137.02327	0.3
139.00293	0.2
141.01862	0.3
143.03441	3.3
148.01599	0.3
149.04498	5.3
151.00323	1.0
155.03513	0.2
159.02956	4.5
159.04402	0.4
160.03313	0.2
161.04504	24.0
162.04814	0.9
163.00304	0.4
167.04747	0.1
172.05240	0.4
173.04585	0.2
173.06059	0.5
175.06157	0.1
178.99794	0.5
179.05580	0.8
189.05556	0.2
190.06218	0.2
191.05556	1.5
199.04028	0.2
205.03484	1.1
207.13971	0.2
209.15372	0.2
211.17067	0.2
215.05537	0.3
226.02669	0.2
227.03462	0.5
233.06660	2.8
240.04327	0.2
241.05209	0.6
243.03017	1.6
248.05045	0.2
250.57304	0.1
253.05092	0.2
253.18230	0.2
254.02243	0.3
255.03023	4.1
255.06625	0.3
256.03317	0.4
267.06946	0.4
269.08301	0.2
271.02527	8.2
272.02979	0.9
281.08356	0.3
281.17612	0.4
282.08694	0.2
283.09818	0.2
293.08850	2.2
294.09045	0.2
294.63693	0.1
294.81293	0.2
295.09814	0.6
296.10547	0.2
299.02072	0.3
299.09412	0.2
300.02820	13.2
301.03506	4.7
302.03851	0.3
311.09262	0.8
313.10791	0.9
326.11560	0.5
326.16077	0.3
341.13882	0.7
343.12073	0.2
344.12689	1.2
359.15097	2.2
360.15396	0.3
373.22379	65.2
374.22720	7.4
417.21298	0.9
445.24457	0.2
463.08997	0.4
505.10785	7.2
505.21405	7.0
505.26740	100.0
506.10785	1.6
506.27072	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	505.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	4.6
57.03339	4.3
57.44805	0.2
58.00482	1.7
59.01267	27.2
60.01600	0.2
60.78565	0.1
61.98714	0.4
65.00225	0.3
67.01775	0.3
67.37511	0.1
68.99689	0.3
69.03339	1.5
71.01270	77.0
71.04909	0.2
72.01598	1.0
72.99200	3.5
73.02836	28.5
74.03179	0.4
75.00770	1.9
75.30410	0.1
81.03333	0.8
83.01278	13.3
84.01607	0.2
84.02068	0.4
85.02844	36.9
85.99977	1.4
86.03152	0.8
87.00237	0.2
87.00771	4.3
89.02338	14.6
90.02675	0.2
95.01290	5.5
96.95924	0.3
97.02858	3.5
99.00783	13.3
99.04421	0.5
100.01128	0.4
101.02347	61.3
102.02681	1.3
103.03903	0.1
107.01303	0.4
108.02095	0.4
109.02892	0.4
111.00790	1.9
112.01639	0.2
113.02357	30.4
114.02675	0.8
115.00268	0.2
115.03918	1.7
116.92776	0.2
119.03422	1.0
121.02874	0.5
123.04451	0.3
124.01594	0.1
125.02363	4.5
127.03939	0.3
129.01862	2.0
130.99724	0.2
131.03426	3.8
135.00829	0.2
141.01895	0.3
143.02365	0.3
143.03433	3.8
148.01573	0.3
149.04503	2.9
151.00319	2.0
153.01912	0.1
159.02934	6.5
160.03297	0.2
161.04501	35.2
162.04897	1.1
163.00325	0.6
164.01021	0.2
178.99811	1.3
179.05511	0.4
183.04362	0.1
185.48007	0.1
185.80685	0.1
191.05568	1.0
199.04039	0.2
201.01720	0.1
205.03522	1.7
209.15396	0.2
211.03984	0.4
215.05562	0.4
226.02756	0.4
227.03532	0.6
233.06694	2.5
243.03021	2.2
244.03465	0.3
245.04623	0.2
253.18207	0.2
254.02232	0.5
255.03032	5.6
256.03357	0.5
271.02542	12.1
272.03094	1.6
275.07794	0.2
281.17599	0.4
283.02621	0.3
293.08853	2.2
294.08978	0.2
299.01974	0.4
299.05453	0.1
299.09067	0.2
300.02805	21.4
301.03506	9.4
302.03870	0.5
326.16187	0.2
355.21158	0.1
373.22372	100.0
374.22711	10.7
393.99274	0.1
417.21320	1.3
418.21844	0.2
463.08865	0.5
505.10342	14.7
505.26648	89.1
506.10593	2.3
506.27008	13.0
506.32626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2582
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01260	3.7
61.98718	0.7
65.94128	0.3
71.01276	1.1
71.39920	0.7
78.95792	28.9
83.04897	0.4
84.82881	0.3
96.96870	2.5
101.26309	0.4
128.03531	0.5
150.97969	0.7
152.99519	45.1
153.99864	1.0
164.34093	0.4
171.00575	2.7
207.17494	1.0
209.11903	0.5
222.12242	0.3
227.03255	5.7
245.04282	1.7
259.20697	0.9
277.21768	100.0
278.19070	0.5
278.22107	9.6
320.09146	1.0
413.21075	1.4
443.35550	0.4
487.31042	1.1
505.25784	78.3
505.32028	4.3
506.26126	11.7
506.32507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56654	0.4
57.03336	0.8
59.01262	5.6
61.98719	2.0
71.01275	2.7
71.04906	0.6
71.55965	0.6
73.02837	1.8
83.01270	0.6
85.02852	1.8
89.02364	0.6
96.95929	0.6
97.02882	0.5
97.06511	0.5
101.02342	1.5
106.04161	1.0
113.02369	0.8
123.04455	1.4
131.04984	1.5
132.05763	3.1
133.06519	100.0
134.06859	4.4
161.04428	0.7
165.12796	4.3
183.13870	17.0
184.14233	1.0
204.74640	0.5
207.13799	1.0
209.11852	1.3
221.15463	1.5
223.13495	0.6
225.14917	0.5
227.12868	5.4
231.13899	0.8
233.11838	1.5
237.14912	0.5
249.15096	1.0
251.12907	2.1
259.09711	0.7
265.14490	1.7
275.12909	1.7
293.14029	8.5
294.14404	0.7
311.15121	0.6
349.51886	0.5
357.43860	0.5
371.17184	2.0
443.31610	1.1
452.68793	0.5
459.31119	0.6
505.24509	30.5
505.35162	4.5
506.24652	5.7
506.31052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.8
60.94382	0.3
61.98691	0.4
67.92513	0.3
71.01250	0.7
78.95797	13.6
83.04948	0.4
89.68691	0.3
94.72922	0.3
94.80877	0.3
96.96875	1.1
123.08039	0.4
138.24606	0.3
144.28838	0.3
150.97908	0.4
152.99533	22.9
171.00597	2.1
184.00078	0.8
227.03271	4.0
233.22830	0.6
245.04262	1.6
248.08055	0.8
259.20657	0.5
275.20224	0.5
277.21793	100.0
278.22131	10.2
279.23679	0.4
280.23795	0.9
296.41788	0.3
319.16525	0.3
490.56146	0.4
505.25845	46.5
506.26190	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	505.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26915	0.3
59.01262	2.2
69.73801	2.1
71.01271	8.0
72.99210	0.7
73.02837	4.4
75.00764	0.6
78.95779	0.4
84.56973	0.3
85.02843	1.0
85.37022	0.3
87.00769	3.8
89.02338	28.4
96.95918	5.3
99.00788	0.6
101.02341	1.2
103.00293	0.3
103.03883	1.9
105.01824	0.5
106.00062	0.3
115.00315	0.6
115.06153	0.3
117.03265	0.3
119.03451	0.8
129.01886	0.4
130.22588	0.3
131.03426	8.1
133.01332	1.1
139.93390	0.3
149.04498	100.0
150.04825	2.6
151.03978	0.4
163.02467	0.9
163.06070	2.4
165.03983	1.4
166.56406	0.4
175.34053	0.3
191.05560	0.6
193.07214	0.9
195.05064	0.4
206.21567	0.3
250.67107	0.3
259.87457	0.3
428.71255	0.3
433.06305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
57.03329	4.9
58.00491	2.1
59.01267	99.7
60.01600	1.5
61.98708	3.5
69.03311	1.3
70.55177	2.4
70.55520	3.0
71.01273	90.4
72.01608	2.1
72.99182	4.0
73.02838	22.3
75.00761	2.6
83.01288	8.6
83.04916	3.4
85.02842	30.8
87.00771	5.1
89.02341	45.4
95.01279	6.4
97.02848	1.9
98.55730	1.2
99.00244	1.2
99.00789	9.9
101.02351	57.3
102.02644	1.3
111.00820	1.5
113.02357	33.2
113.63275	1.0
114.02712	1.4
119.03412	8.3
123.07890	1.1
125.02339	4.0
128.44191	1.0
129.01852	3.0
131.03421	16.8
134.03685	17.7
137.02350	1.9
143.03416	4.8
149.04472	19.3
149.05975	12.4
153.70351	1.3
159.02931	6.4
161.04510	23.9
174.06863	1.3
178.02638	3.2
179.05547	4.1
183.13885	6.1
191.05609	9.2
193.05061	21.6
194.05363	1.9
204.19780	1.1
205.03554	1.1
235.88191	1.5
255.02870	1.2
273.78159	1.2
293.08844	2.8
313.16647	95.3
314.17142	9.6
361.29648	2.1
373.26199	1.4
399.23907	3.1
445.20871	100.0
446.21057	12.8
505.27261	1.3
505.33929	15.0
506.23227	1.5
506.34329	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	505.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03332	1.7
58.00491	2.8
59.01266	100.0
60.01599	0.9
61.98717	1.2
65.62558	0.7
69.03343	1.8
69.22964	0.8
71.01268	82.9
72.01603	1.5
72.99191	3.9
73.02837	13.2
75.00758	1.1
81.03336	1.2
83.01283	3.6
83.04925	1.3
85.02850	17.4
87.00758	3.9
88.98674	1.4
89.02338	99.8
90.02692	1.7
93.22092	0.7
95.01311	2.3
95.55762	0.8
96.95903	0.9
97.02847	2.4
99.00782	4.8
101.02348	48.5
101.06003	1.4
102.02726	0.8
111.00817	0.8
113.02364	22.6
117.07722	0.7
119.03424	10.0
124.61378	0.7
125.02361	6.1
130.08629	1.6
131.03429	28.6
134.03456	0.8
143.03401	1.9
149.04498	72.4
150.04822	1.6
159.02783	0.7
161.04526	4.9
179.05502	1.4
191.03981	1.1
191.05583	14.4
216.08752	0.7
223.04517	0.8
233.06700	0.9
293.08878	14.9
294.09171	0.8
361.37918	0.8
373.22021	2.2
373.26117	1.7
445.20731	4.6
461.23538	1.5
505.19971	1.0
505.26529	2.4
505.33139	6.0
506.21957	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01267	17.6
61.98718	6.8
69.03353	0.5
71.01268	8.6
71.12053	0.5
71.12411	1.1
72.99209	1.1
73.02835	5.3
74.02374	0.4
75.00761	0.7
78.41491	0.4
83.01285	1.1
85.02848	4.5
87.00759	0.8
89.02339	4.3
93.03358	1.2
93.98075	0.5
95.01288	1.1
96.72106	0.4
99.00787	5.6
101.02346	3.9
108.02100	2.0
109.02876	0.7
113.02367	4.7
117.65723	0.4
119.03461	1.0
119.04938	0.4
120.08183	0.4
120.10037	0.5
121.02876	13.4
123.04478	2.4
123.05257	0.5
131.03491	2.1
134.03593	0.7
135.04457	2.5
137.02380	0.5
145.02869	2.4
147.04456	2.6
149.04503	2.2
149.05992	0.8
159.04520	0.9
161.04477	1.1
162.06847	1.5
168.32759	0.5
175.07587	0.7
177.05621	1.1
190.02692	0.5
191.01942	0.6
191.05554	2.4
194.05798	1.0
200.04837	0.5
209.06218	0.6
209.08072	0.9
211.07608	0.7
213.09132	0.4
222.06900	0.5
223.04044	0.5
223.13757	0.4
223.41707	0.4
224.04814	0.4
224.08270	0.4
225.05540	1.2
225.09233	0.9
225.20752	0.4
226.06403	0.8
227.03630	0.9
227.07153	1.1
235.07651	0.6
237.05618	1.6
237.07716	1.4
238.06401	0.8
239.07121	2.9
240.04286	1.7
241.05093	2.1
241.08821	1.1
249.05560	0.4
251.07162	1.1
252.08092	1.5
253.05099	1.8
253.08684	1.9
254.05914	1.8
255.03065	1.3
255.06648	7.3
256.07285	0.9
263.07239	1.3
264.07877	1.0
265.08768	1.4
266.05850	1.4
266.09412	0.6
267.06674	13.9
267.09863	0.6
268.07416	5.5
268.10260	0.7
269.08237	27.8
270.08643	2.2
272.07126	0.7
279.10339	0.7
280.07462	4.9
281.08264	9.7
282.08820	1.4
283.09805	12.7
284.03339	1.7
284.10577	6.0
285.04059	1.9
285.10989	0.8
295.06479	0.8
295.09784	9.3
296.07181	0.9
296.10535	3.4
298.08676	0.6
299.09653	0.7
299.12973	2.5
301.03506	0.7
310.08386	0.9
311.09338	19.0
311.12778	0.9
312.09781	2.4
322.08774	0.8
323.09241	1.4
325.07190	2.1
325.10852	1.1
328.09634	8.3
329.09897	1.0
340.09583	27.6
341.10013	2.8
343.11932	100.0
344.12231	11.7
355.11942	68.3
356.12302	7.7
361.29611	0.8
373.13010	14.1
374.13110	2.0
431.09897	2.4
445.24780	0.6
475.15833	1.0
505.16998	7.6
505.23260	15.0
505.34027	1.2
506.17285	1.1
506.23914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.7
60.01596	0.3
61.98722	1.3
62.72656	0.3
66.52769	0.3
70.90971	0.9
71.01280	2.2
72.99190	0.5
73.02834	0.9
75.00778	0.4
85.02837	1.5
87.00778	0.3
89.02322	1.7
91.01793	0.5
93.03355	0.6
96.95940	0.6
101.02360	1.7
108.02072	0.8
109.02879	0.6
113.02347	0.9
116.92764	0.7
122.03649	5.5
134.03670	1.0
135.00813	0.8
135.04437	1.7
136.01537	0.3
137.02391	1.5
146.57339	0.3
148.01614	1.3
149.04465	0.5
149.06015	1.6
151.03886	0.5
152.03473	66.3
159.04482	0.3
161.04636	0.3
161.06012	0.5
163.04073	0.3
171.04492	0.6
177.05554	1.1
183.04561	0.4
184.05196	1.5
189.05559	1.9
193.05046	1.3
195.04478	1.1
195.06302	0.3
196.05287	0.6
206.55679	0.4
207.06705	0.3
211.03992	4.4
212.04680	0.9
223.03990	0.9
224.04752	1.6
231.55005	0.4
239.03514	13.4
240.04213	4.6
241.04771	0.5
249.07825	0.4
251.03392	0.4
253.05023	1.4
265.05099	0.3
267.03043	13.7
268.03812	55.5
269.04150	4.2
281.04669	4.7
282.05350	5.5
283.06177	100.0
284.06543	8.8
313.13080	0.3
329.10657	0.6
343.11823	1.1
367.39880	0.3
389.82986	0.4
430.09250	1.9
445.11505	21.0
445.16827	0.8
446.11761	2.3
505.13049	1.5
506.14029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37316	0.3
59.01265	3.0
61.98711	0.9
71.01269	0.3
71.29547	0.6
82.44936	0.2
87.04493	0.3
97.06502	0.2
121.02872	100.0
122.03212	3.4
143.74191	0.3
180.05759	0.6
181.06549	3.0
193.06558	0.3
196.63933	0.3
197.06065	2.3
207.04512	0.9
207.08130	0.5
223.03969	0.6
225.05629	2.3
257.09723	0.9
285.09247	0.3
293.65192	0.3
301.08698	0.3
313.07254	4.8
314.07541	0.3
357.06226	1.0
373.10770	0.4
383.07666	1.1
417.09851	8.4
418.10162	1.1
461.11945	0.5
504.34930	1.4
505.11505	8.8
505.30692	1.4
505.34805	1.6
506.11832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01751	0.7
55.52950	0.2
57.03325	0.6
58.00464	0.4
59.00960	0.5
59.01261	9.1
61.98696	0.2
63.02246	0.2
64.41833	0.2
65.00211	1.0
69.03331	0.3
69.40656	2.1
71.01266	10.9
72.99181	0.7
73.02831	3.9
83.01271	1.9
85.02840	3.6
86.00022	0.3
87.00783	0.4
89.02335	8.7
91.01783	0.2
95.01285	0.4
97.02870	0.5
97.79998	0.2
99.00780	2.1
101.02342	8.0
107.01284	2.2
108.02083	1.6
109.02851	1.3
113.02347	3.8
115.03886	0.3
119.01325	0.3
119.03437	1.1
119.04134	0.2
121.02881	1.3
125.02358	0.8
131.03435	2.3
135.00768	0.9
143.03397	0.6
148.01585	1.3
149.02533	0.3
149.04488	4.5
150.03177	0.2
151.00293	8.7
152.00604	0.2
155.14455	0.2
159.02916	0.6
161.04488	2.8
163.00359	1.9
163.03816	0.2
164.01060	0.5
169.01384	0.4
174.03201	0.3
174.93288	0.2
176.60783	0.2
178.99814	4.6
179.05513	0.6
179.97813	0.2
180.00093	0.2
183.04449	0.3
187.04025	0.4
191.05634	1.1
198.03194	0.3
199.03957	0.6
201.01892	0.3
203.03432	0.5
211.03969	1.0
215.03552	0.5
216.04285	0.5
218.02254	0.3
226.02713	1.4
227.03490	3.2
228.03972	0.3
229.05057	0.4
232.40024	0.2
233.06715	0.3
239.03401	0.3
243.03011	10.1
244.03426	0.8
245.04576	0.9
254.02208	2.7
255.03011	24.8
256.03378	1.9
271.02527	55.1
272.02988	5.4
273.04065	0.9
283.02365	1.1
293.08774	0.4
299.02078	1.3
300.02795	100.0
301.03485	37.1
302.03931	2.3
343.04407	0.4
373.22375	7.6
374.23004	0.4
384.79819	0.3
463.08984	3.5
464.09369	0.3
505.09985	65.3
505.26379	12.9
506.10297	9.5
506.26895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3392
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.35022	0.6
57.03329	1.0
59.01254	3.6
61.98724	1.3
71.04889	2.6
71.59543	0.5
72.99170	0.9
78.95792	15.6
78.96226	1.1
82.45775	0.5
85.02831	0.7
85.06488	1.1
86.11552	0.5
87.04418	0.6
96.96869	1.9
97.05965	0.5
97.06474	2.8
101.05988	0.6
109.06539	1.0
111.08069	6.1
117.74657	0.5
121.06572	1.0
123.08087	1.2
137.09657	5.7
139.11215	20.1
139.12268	1.3
140.11555	1.2
152.99525	22.7
157.33508	0.6
171.00601	7.7
190.66138	0.6
216.96785	0.6
231.21204	10.5
232.21602	1.1
239.16556	2.2
245.04340	36.5
245.15401	3.1
246.04794	1.1
255.48518	0.6
259.17111	2.3
275.20212	18.6
276.20605	1.7
287.20245	0.6
301.21808	3.4
317.10995	0.7
339.31595	0.7
396.56696	0.6
399.32657	1.0
400.67172	0.6
415.35953	1.2
425.30850	1.7
439.32361	0.8
441.33807	58.7
442.34146	9.1
459.34851	2.5
485.32513	1.4
503.24524	9.0
503.34039	100.0
504.24866	1.5
504.34351	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	503.3028
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
57.03317	2.0
57.66095	0.4
59.01261	19.8
59.95842	0.5
60.01555	0.5
61.94490	0.5
64.79035	0.5
69.03334	5.4
71.01254	1.7
71.04906	0.5
71.55814	0.6
73.02818	1.0
77.32409	0.5
81.03315	0.5
81.42815	0.5
83.04911	0.7
85.02873	0.7
89.02296	0.5
99.00816	0.5
99.04369	0.5
101.02347	1.1
107.04937	3.7
109.06498	51.9
110.06828	1.7
113.02323	0.6
149.05920	0.8
161.04349	0.7
193.33376	0.6
203.39766	0.5
224.11882	0.5
247.20766	0.9
289.21707	2.3
313.21872	0.6
327.23355	1.3
329.24896	23.1
330.25360	2.5
331.22833	0.9
341.25211	0.7
355.26245	0.9
357.28061	18.8
358.28415	2.5
383.25989	11.0
384.26395	1.4
401.27023	57.1
402.27371	8.4
445.20251	0.8
445.26089	14.0
446.26379	2.4
459.31271	16.3
460.31958	2.4
503.30112	100.0
504.30383	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	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92411	0.3
55.01766	1.8
55.68868	0.4
57.03336	3.0
58.00481	1.3
59.01264	100.0
60.01602	1.3
61.98714	1.1
64.12582	0.3
67.01802	0.3
69.03346	1.3
69.46507	3.3
71.01270	48.1
72.01618	0.4
72.99199	2.9
73.02834	15.9
75.00777	1.4
78.91769	1.4
81.03352	0.6
83.01276	5.8
85.02844	22.0
85.99979	0.6
87.00770	4.5
87.04420	1.4
89.02343	10.6
95.01291	4.1
96.95947	0.6
97.02853	1.7
99.00777	6.9
99.04424	0.7
101.02345	28.5
102.02684	0.7
103.03940	1.3
109.02840	1.0
111.00780	0.9
112.01563	0.4
113.02355	21.4
114.02695	0.6
115.03944	1.0
119.03431	3.4
123.04449	0.4
125.02372	3.5
127.03937	0.9
129.01860	1.2
131.03404	1.8
135.04445	0.5
137.02298	0.9
139.00317	0.4
143.03458	4.5
145.05016	0.9
149.04420	0.4
157.12198	0.4
159.02922	3.4
161.04501	17.3
162.04837	0.6
163.06067	0.8
179.05553	0.9
186.28203	0.4
194.72003	0.4
205.03484	0.9
205.07144	0.7
209.03099	0.8
219.17528	1.9
249.14987	0.9
263.16656	0.8
281.17688	1.2
289.07300	0.5
297.17084	1.3
305.17569	0.4
315.18176	17.6
316.18478	0.9
341.26941	1.1
357.19360	1.8
359.28268	0.9
371.20633	0.8
371.24774	0.5
461.24017	63.5
462.24356	9.0
503.25079	16.6
503.32416	7.7
504.25424	2.7
504.32904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17389	0.2
55.01772	4.6
57.03337	4.8
58.00480	1.5
59.01263	31.5
60.01607	0.5
67.01768	0.3
68.99689	0.4
69.03342	1.7
69.32226	1.3
71.01267	79.9
72.01599	1.1
72.99201	3.1
73.02832	27.1
74.03168	0.6
75.00764	2.3
81.03344	0.9
83.01273	13.3
84.01599	0.3
84.02064	0.5
85.02840	38.2
85.99981	1.0
86.03175	0.6
87.00767	3.3
87.04443	0.2
89.02333	14.0
90.02661	0.2
95.01283	5.5
96.95894	0.7
97.02842	3.4
98.20480	0.3
99.00776	13.2
99.04414	0.4
100.01148	0.2
101.02341	57.7
102.02669	1.2
109.02817	0.2
111.00778	1.5
112.01588	0.2
113.02351	29.4
114.02711	0.9
115.03914	1.3
119.03399	1.1
125.02362	4.7
126.02686	0.2
127.03924	0.3
129.01866	1.7
131.03416	3.1
133.06573	0.2
137.02328	0.2
138.60110	0.2
139.00327	0.2
141.01886	0.3
143.03421	4.0
148.05191	0.2
149.04495	3.3
149.05885	0.3
159.02942	6.8
159.04237	0.2
160.03319	0.2
161.04495	42.8
162.04829	1.2
179.05537	0.2
191.05560	1.2
199.04228	0.1
203.05548	0.2
205.03464	1.5
207.13745	0.3
209.15433	0.4
215.05548	0.3
233.06641	2.4
233.83438	0.2
251.07095	0.2
251.16501	0.5
253.14445	0.4
255.38095	0.2
279.16165	0.3
293.08859	2.4
297.07648	0.2
327.12418	0.7
327.49283	0.2
338.72626	0.2
371.20792	100.0
372.21152	11.1
403.40067	0.2
415.19815	1.2
425.45447	0.2
461.18085	0.3
503.25098	58.7
504.25443	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2509
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01773	5.0
57.03339	4.8
58.00486	1.8
59.01266	32.4
60.01604	0.3
61.98679	0.2
67.01773	0.5
68.99698	0.6
69.03337	2.0
70.91296	0.3
70.91644	0.1
71.01271	87.7
72.01603	1.1
72.99200	3.2
73.02837	31.0
74.03178	0.5
75.00759	3.3
75.01189	0.2
75.79902	0.1
81.03354	0.6
83.01278	14.0
83.04963	0.2
84.01630	0.3
84.02068	0.7
85.02844	41.9
85.99988	1.4
86.03178	1.0
87.00774	4.3
89.02341	15.2
90.02666	0.3
95.01286	5.8
96.01622	0.2
96.95906	0.5
97.02849	3.7
99.00783	15.1
99.04419	0.5
100.01099	0.2
101.02347	63.8
102.02694	1.1
111.00806	1.4
112.01568	0.2
113.02357	32.6
114.02708	1.0
115.03925	1.6
119.03414	1.2
125.02365	5.6
127.03952	0.2
129.01865	2.3
131.03435	3.6
137.02396	0.2
139.00313	0.2
141.01877	0.5
141.95547	0.1
143.03432	4.8
148.05191	0.1
149.04491	3.4
152.95801	0.2
153.59634	0.2
155.03445	0.1
159.02950	7.7
160.03239	0.2
161.04503	46.4
162.04877	1.4
163.20204	0.1
172.97816	0.2
179.05583	0.2
191.05594	1.0
199.76198	0.1
205.03503	1.7
207.13928	0.4
209.08118	0.2
209.15453	0.5
215.05600	0.3
233.06660	3.3
251.16592	0.5
253.14417	0.2
293.08792	2.8
294.09329	0.2
323.08951	0.2
327.12387	0.2
353.19644	0.2
371.20810	100.0
372.21179	11.4
372.24948	0.2
415.19879	1.1
416.20450	0.2
430.44141	0.2
503.25116	74.6
504.25473	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	503.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.6
57.03338	6.7
58.00479	1.7
58.46555	0.7
59.01266	100.0
60.01609	1.5
61.98703	1.9
69.03349	1.6
71.01270	53.6
71.04922	0.9
72.01601	0.7
72.99203	2.4
73.02843	11.5
75.00779	2.8
79.92741	0.8
83.01270	6.0
85.02846	28.7
86.03198	1.0
87.00768	4.5
87.04400	1.6
89.02337	14.0
89.02845	1.0
93.06960	0.9
95.01284	6.9
96.95921	1.7
97.02843	1.6
97.06498	1.1
99.00780	7.7
99.04398	1.2
101.02345	22.6
102.02698	0.7
111.00784	2.3
111.08067	1.7
113.02359	36.9
114.02678	1.2
115.00274	0.9
116.98751	0.8
119.03397	5.0
121.10184	1.2
125.02367	3.0
131.03452	1.7
135.08090	1.0
137.02361	1.1
141.12791	1.4
143.03459	4.2
149.04546	1.0
153.09184	1.0
155.10771	1.4
159.02937	0.9
161.04507	11.7
165.09152	1.8
169.12177	1.0
171.13905	1.8
175.34349	0.6
178.04761	1.0
179.05611	1.0
183.04480	1.3
183.13904	1.7
185.15451	1.4
191.01988	1.3
201.14978	2.0
209.02934	0.9
209.08131	3.2
211.03998	2.5
226.02789	1.5
227.03564	3.4
229.18124	7.5
241.05058	1.5
249.06232	0.9
255.03033	50.2
255.68073	0.8
256.03418	5.3
268.03860	2.3
269.04568	4.1
275.00052	1.8
283.02554	47.5
284.03168	12.6
285.03702	0.9
298.01483	1.1
298.04877	22.9
299.05576	13.0
299.26117	0.9
300.06113	1.2
341.27005	2.6
359.28119	5.1
399.23950	10.7
400.24295	2.1
413.14114	1.1
417.25110	7.7
503.12054	56.3
503.32382	40.7
504.12485	9.0
504.32755	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	503.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04519	0.5
55.01774	1.6
57.03345	2.9
59.01267	100.0
60.01598	1.5
61.98708	1.8
64.33663	0.4
67.34729	0.5
69.03344	0.7
70.19012	2.6
70.19293	0.7
71.01272	22.6
71.04919	1.0
72.99198	0.8
73.02837	5.5
75.00769	1.2
78.95790	0.6
83.01277	4.1
85.02847	12.5
85.06512	0.6
87.00788	2.4
87.04428	1.4
89.02341	5.3
93.03401	1.0
93.06975	0.7
95.01289	2.7
97.02890	1.2
97.06487	0.5
98.19965	0.7
99.00764	2.6
101.02351	10.8
103.50542	0.5
111.00809	1.0
111.08067	0.6
113.02359	16.6
115.00333	1.0
119.03436	0.9
125.02391	1.0
129.01904	0.9
131.03474	0.8
134.03679	0.6
137.02415	1.0
137.72664	0.5
143.03391	0.8
154.80630	0.5
157.12364	0.5
159.02936	1.0
161.04495	4.2
168.45613	0.5
175.02419	0.8
179.05649	0.8
179.07054	0.7
179.83859	0.5
183.13985	0.5
199.60757	0.5
201.14984	1.0
209.15619	0.5
229.18115	3.5
311.14935	0.7
359.28259	1.4
373.22400	2.5
383.28326	1.1
399.23953	15.2
400.24423	1.9
417.25076	4.7
418.25339	0.6
425.25351	0.9
443.27411	0.7
459.26221	1.8
484.55298	0.6
503.20160	0.7
503.25977	1.2
503.32483	15.5
504.33054	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	502.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66513	0.3
56.68027	0.3
57.55422	0.3
59.01268	0.9
61.98716	100.0
62.98412	0.3
69.58929	2.2
96.35696	0.3
125.06903	0.3
198.91223	0.3
210.25005	0.3
277.21735	0.5
278.22055	0.4
459.34708	0.3
502.32773	2.2
503.34531	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	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
55.50525	0.3
57.03343	0.8
58.00480	0.5
59.01264	13.2
61.98712	1.6
69.03338	0.8
69.48775	2.1
69.49181	1.0
71.01271	16.3
72.99204	3.0
73.02832	4.9
73.99539	0.4
75.00763	100.0
76.01124	0.9
82.73974	0.3
83.01273	1.8
85.02837	5.2
87.00774	1.2
89.02337	12.1
95.01293	1.0
97.02848	1.0
98.19724	0.7
99.00785	2.1
101.02344	9.4
101.19142	0.4
105.01671	0.4
107.53208	0.4
108.02068	0.6
109.02902	0.5
111.00830	0.6
113.02357	5.0
119.03482	0.5
122.20708	0.5
125.02351	3.4
129.01898	0.5
130.04172	0.9
131.03442	2.6
131.04964	3.4
133.06540	0.6
143.03452	0.6
147.08101	0.7
149.04514	4.7
149.06012	7.6
150.06358	0.7
159.02939	0.5
161.04504	4.4
191.05589	0.9
191.07112	0.6
209.08180	0.9
218.77272	0.4
233.06673	1.0
267.06528	0.8
293.08844	9.5
294.09305	0.5
323.09045	0.7
341.10434	1.2
371.20798	7.2
372.20941	0.5
406.63763	0.3
443.15540	0.7
476.50525	0.4
503.17749	1.5
503.25101	16.7
504.18240	0.5
504.25278	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	503.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.1
58.00484	5.0
59.01265	97.9
61.98724	7.0
67.23138	1.7
69.03352	7.5
70.18320	1.7
70.18606	7.8
71.01271	100.0
72.99199	4.4
73.02836	10.6
75.00774	2.4
81.03358	3.1
83.01276	6.2
85.02846	20.0
86.03139	1.9
87.00780	6.3
89.02336	95.3
90.89176	1.6
95.01299	6.0
96.95903	4.2
97.02858	11.9
99.00777	4.8
101.02341	33.8
109.02882	1.6
111.00810	2.6
113.02370	21.1
119.03434	10.8
119.04128	1.9
121.02886	2.0
123.00845	2.2
125.02374	40.5
129.01869	1.9
131.03426	25.2
133.06519	9.5
134.03665	93.6
135.04001	3.9
137.02423	2.8
143.03452	6.0
145.88049	1.7
147.04414	1.9
149.02495	2.5
149.04510	27.5
149.06018	57.1
150.06354	1.9
161.04564	8.8
179.05602	7.1
191.05615	9.8
221.06635	6.1
233.06679	5.7
255.03004	2.8
263.07748	2.7
283.02399	2.1
293.08847	63.2
294.09210	4.9
299.01968	2.9
299.05243	2.4
300.02972	2.2
323.09872	25.4
324.05197	4.1
371.20740	6.5
503.18399	7.1
503.25089	4.3
504.11743	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.2
58.00488	0.1
59.01267	100.0
60.01604	1.3
61.98716	1.6
71.01272	2.5
71.60658	0.1
72.99224	0.3
73.02847	0.5
83.01286	0.3
83.34391	0.1
85.02845	1.0
87.00780	0.2
89.02347	1.3
95.01318	0.2
96.95931	0.8
99.00819	0.3
101.02357	1.7
113.02360	1.2
119.03445	0.5
119.04965	0.3
125.02375	0.2
129.01956	0.1
139.03862	0.2
143.03496	0.2
145.00151	0.1
161.04539	0.6
207.13960	0.5
219.06767	0.2
229.18256	0.2
279.16098	0.8
339.12643	0.4
344.71030	0.1
357.26840	0.3
369.19278	0.1
441.25763	0.3
457.66959	0.1
501.31784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3231
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.95407	0.3
59.01244	1.4
62.50487	0.3
67.00131	0.3
69.44350	2.7
78.95798	0.3
119.81248	0.3
133.72142	0.4
151.40782	0.4
165.91452	0.4
177.05524	0.4
179.85922	0.3
187.11237	1.8
189.12833	6.8
190.13199	0.6
205.15961	31.5
206.16277	2.7
231.13956	0.5
247.13437	0.8
249.14969	7.5
250.15381	0.5
251.16492	0.7
253.18251	1.9
259.69205	0.4
397.31265	3.0
398.31577	0.5
413.34235	4.6
414.34647	1.3
439.32239	0.5
457.33401	9.2
458.34036	1.8
483.31046	0.5
501.32330	100.0
502.32687	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	501.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01871	0.3
57.03338	0.6
59.01265	100.0
60.01612	1.1
61.98712	1.6
69.03357	0.4
71.01270	5.5
71.04888	0.3
71.55479	0.4
72.99196	0.7
73.02846	1.3
75.00764	0.9
80.34778	0.3
83.01285	0.7
83.02398	0.4
83.04953	0.4
85.02848	3.2
87.00784	0.8
87.04436	0.3
89.02338	2.2
95.01305	0.8
96.95943	0.5
99.00770	1.5
101.02341	2.4
109.06541	0.3
111.08097	0.3
113.02367	3.4
119.03441	0.8
121.02872	2.6
123.04424	0.4
125.02380	0.3
128.15770	0.3
131.03438	0.3
161.04533	1.1
175.02536	0.3
226.40051	0.3
227.16495	0.3
249.06093	0.4
250.00958	0.3
264.59338	0.3
270.63492	0.3
273.10626	0.3
279.16153	0.4
301.35742	0.3
335.48178	0.3
339.12332	0.4
406.64941	0.3
441.25665	0.5
457.21213	0.3
501.20407	2.6
501.31781	2.9
502.21085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.6
59.01264	100.0
59.54192	0.4
60.01604	0.9
61.89959	0.3
61.98720	0.7
69.31187	0.9
69.31603	2.4
71.01269	5.6
73.02834	1.8
83.01285	0.6
85.02842	1.9
87.00785	0.6
89.02350	1.6
95.01299	0.5
99.00795	0.5
101.02352	4.6
109.28970	0.3
113.02341	2.5
113.78147	0.4
119.03438	0.5
125.02322	0.4
129.01892	0.4
143.03343	0.4
149.04637	0.3
149.06033	0.6
159.03069	0.4
161.04504	1.9
164.04691	0.5
179.07162	0.6
294.95709	0.4
305.59579	0.3
369.23007	1.2
381.22867	2.5
399.23950	8.7
400.24564	1.3
441.24936	3.6
442.25562	0.6
455.31873	0.6
501.33261	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	501.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03332	1.2
59.01266	100.0
60.01609	1.2
61.98716	1.1
70.02970	0.9
70.03383	1.1
71.01273	9.9
71.04913	0.7
72.01598	0.4
72.99216	0.4
73.02843	1.6
75.00758	0.5
81.03307	0.3
83.01291	0.9
85.02847	5.2
87.00778	0.9
89.02339	3.7
91.70349	0.4
95.01299	1.1
96.95908	0.5
99.00791	1.5
99.04452	0.8
101.02354	4.8
101.06120	0.4
102.02700	0.5
111.41591	0.4
112.21623	0.3
113.02364	7.3
119.03460	1.6
121.02883	8.8
125.02375	0.6
143.03462	0.8
154.63271	0.4
160.03824	0.4
161.04547	1.4
179.05646	0.5
235.17264	0.5
278.28986	0.3
397.22369	7.5
398.22861	0.9
415.23453	4.6
416.23987	0.6
457.24301	0.9
501.19629	0.6
501.31183	3.8
502.32358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10192	0.5
55.01767	1.2
56.56201	0.5
57.03350	2.7
57.03577	0.5
58.00479	0.6
59.01265	100.0
60.01605	1.4
61.98726	3.0
68.98268	0.6
71.01270	21.8
71.62351	0.9
72.99201	1.6
73.00770	0.6
73.02843	5.9
75.00769	2.3
78.91822	0.5
83.01277	3.0
83.04867	0.6
85.02847	11.5
85.03359	0.9
87.00784	1.9
87.04409	1.2
88.98872	0.5
89.02347	6.4
95.01295	2.3
96.95959	0.6
97.06512	0.8
99.00800	3.0
101.02333	9.4
101.06011	1.3
111.00830	0.6
113.02357	14.6
118.34644	0.5
119.03413	3.1
121.02873	1.7
125.02398	1.5
131.03447	0.6
137.09734	0.5
143.03410	1.1
147.29320	0.6
149.04523	0.5
157.23134	0.7
159.02968	0.6
161.04515	3.2
179.05670	0.7
183.65266	0.7
185.11850	0.6
207.40382	0.6
327.18280	0.6
339.25473	0.6
344.18384	1.0
345.19586	1.3
357.26401	1.4
362.19586	1.0
388.37186	0.6
397.22580	1.6
415.23392	4.1
457.25018	0.7
483.18906	1.0
483.29962	1.7
501.20056	4.4
501.30991	15.7
501.38336	0.8
502.31326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.9
59.00961	1.7
59.01265	36.1
61.98707	3.4
64.91492	0.9
69.03362	1.1
69.40186	9.4
71.01265	7.6
72.99169	1.2
73.02824	1.0
75.00771	1.0
78.95784	1.1
81.50970	0.8
83.01264	1.1
83.73050	0.9
85.02843	5.5
87.00769	1.1
89.02341	4.7
89.22665	1.0
95.01292	2.0
95.04941	0.9
96.95895	9.3
96.96863	1.6
97.02848	7.7
97.06493	2.4
98.02357	3.3
98.95498	2.4
99.00787	1.1
99.01920	1.6
99.02780	0.9
99.04399	1.0
101.02338	3.9
107.04967	1.7
109.02876	4.8
109.06492	2.9
111.00796	1.3
111.04430	1.7
113.02354	5.0
119.03384	1.4
120.00815	1.0
121.06485	4.1
122.03660	8.4
123.04417	3.2
124.05213	1.9
125.02329	1.2
125.05968	2.9
135.04453	2.2
137.06007	9.5
137.09612	1.6
139.03925	1.4
139.07576	13.0
147.04436	2.4
147.08083	1.6
148.05309	1.1
149.04572	0.9
149.04935	1.2
149.06003	8.3
151.03935	1.3
152.01097	2.9
160.03999	1.3
161.04575	1.9
161.05995	2.1
163.03899	1.8
163.07602	1.7
163.11223	1.4
167.03491	4.9
168.07828	3.6
169.08655	1.6
175.03944	3.0
177.12782	2.6
180.07860	1.5
185.05957	1.5
187.11255	7.8
190.09897	2.3
193.05009	1.5
205.05067	2.0
205.12323	19.4
206.12616	1.1
207.02950	3.0
207.06721	1.0
217.12370	1.4
219.02945	1.1
231.10362	1.5
235.13434	4.2
237.04063	3.3
259.06027	1.4
261.11298	1.7
273.11258	2.3
277.07269	1.1
279.12439	100.0
280.12820	7.4
303.12299	4.9
321.13379	3.4
379.97174	1.1
441.17630	1.5
456.87427	1.0
457.13724	1.7
501.12421	11.9
502.12927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.3
60.42737	0.3
61.98698	0.3
68.99678	0.3
69.52809	1.6
69.53216	0.7
71.01270	0.8
75.00792	0.4
78.95796	3.3
79.95628	1.9
87.00819	0.3
87.10944	0.3
88.42467	0.3
89.02345	0.8
96.95917	100.0
96.96810	6.7
98.02377	7.9
98.20566	0.4
99.00829	0.3
101.02351	0.5
104.57435	0.3
105.07607	0.3
109.02842	0.4
113.02366	0.5
125.02417	0.3
135.23653	0.3
149.06004	0.3
167.03465	0.6
175.03908	0.4
192.00644	0.5
193.05313	0.3
206.88307	0.3
207.02933	0.7
219.02870	0.4
235.11848	0.3
237.97180	0.3
338.55969	0.3
360.73483	0.3
377.39426	0.4
392.76108	0.3
435.68320	0.4
479.76495	0.3
501.12067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	91.8
61.86001	1.0
61.98722	27.3
69.34486	8.8
71.01270	10.7
72.01627	1.2
72.99207	1.1
73.02829	2.2
75.00773	2.9
83.04910	1.5
84.68055	0.9
85.02850	4.1
87.00771	3.5
89.02341	8.7
95.01283	1.4
99.00778	2.4
101.02338	3.4
105.21814	0.9
106.49014	1.0
113.02357	5.6
119.03463	1.5
121.02885	2.5
123.04388	1.0
125.02364	2.0
131.03435	2.7
131.65549	0.9
133.06511	1.0
135.02951	1.6
135.08092	2.7
137.02469	0.8
143.10707	4.0
144.11066	1.9
149.04478	0.9
151.07594	0.9
161.04514	2.9
165.12776	3.1
179.05585	1.4
183.13872	78.0
184.14192	4.5
187.11278	1.0
205.08720	2.7
209.11821	2.2
227.12971	3.5
249.06174	1.1
267.07266	2.0
277.18100	1.6
293.08817	1.1
301.16635	100.0
302.16962	7.6
367.17633	1.0
450.68423	0.9
481.31509	1.1
499.18872	9.1
499.33566	6.3
500.18176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71566	0.3
57.03332	0.5
59.01266	100.0
60.01607	1.1
61.01724	0.3
61.98717	3.0
69.40028	2.4
71.01271	3.1
72.99204	0.6
73.02844	1.0
75.00764	7.8
75.01199	0.4
80.91566	0.3
83.01278	0.6
85.02844	2.6
87.00790	0.9
87.99804	0.2
89.02338	1.5
95.01311	0.7
99.00797	1.1
100.61973	0.3
101.02343	1.7
103.00302	0.3
111.04388	0.2
113.02353	2.8
114.30054	0.2
115.00259	0.3
119.03381	0.4
137.09616	0.6
137.79321	0.3
143.03404	0.3
151.07675	0.3
161.04544	0.5
161.09636	0.3
179.05760	0.3
191.15936	0.2
233.15491	0.2
249.06282	1.3
249.14958	0.3
267.07278	3.2
397.23062	0.5
439.14233	0.3
439.23370	1.0
481.32053	0.5
499.22812	2.4
499.33163	0.7
507.51315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	1.7
59.01263	98.7
59.91042	1.6
69.37228	1.7
69.44698	3.8
69.45094	15.2
71.01270	15.4
73.02813	1.7
73.12753	1.8
75.00755	3.3
86.86466	1.6
89.02324	4.0
91.03891	4.3
92.12933	1.7
100.28043	2.0
101.02340	2.8
113.02352	4.9
205.15962	4.5
233.15617	1.7
277.21777	100.0
278.22064	9.3
291.23337	3.9
301.21671	3.9
319.22867	10.9
324.76489	1.8
347.26126	1.9
349.24017	4.1
365.27011	8.7
455.31451	2.8
472.92407	1.7
499.31033	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	499.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.8
59.01263	32.8
67.09747	0.8
71.01275	6.4
73.02833	2.6
85.02852	1.8
88.86560	0.7
89.02334	2.2
92.82116	0.7
95.01269	1.0
101.02347	3.6
113.02349	3.9
174.54085	0.9
187.11174	2.6
189.12804	9.9
205.15961	37.3
206.16338	2.4
229.62358	1.3
231.13878	1.5
249.14992	6.8
251.16557	1.1
255.21309	0.8
273.22250	2.9
277.21771	42.8
278.21973	4.3
283.02094	0.8
291.23346	15.3
292.23474	0.7
301.21860	1.9
316.38965	0.8
319.22794	4.4
329.30096	1.0
331.22934	1.0
338.46713	0.9
349.23978	1.0
383.23618	0.9
395.29730	4.0
411.32678	5.0
437.30881	1.5
455.31827	8.1
456.31860	1.3
474.59845	0.9
499.30777	100.0
500.31009	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	497.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03328	1.1
57.04234	0.9
58.00476	2.5
59.01266	61.9
60.01604	1.0
61.98470	0.9
61.98723	8.9
69.03343	2.7
69.31853	6.7
69.32281	2.6
69.77068	0.8
71.01273	52.0
72.01595	0.9
72.99210	3.1
73.02841	8.5
75.00757	7.8
76.53973	0.9
81.03358	1.5
81.68180	1.0
83.01278	3.2
83.04913	0.9
85.02845	10.9
87.00777	3.6
89.02341	58.5
90.02660	1.2
90.49072	0.9
95.01303	1.7
96.95924	1.1
97.02835	4.4
98.20587	1.7
99.00782	3.8
101.02338	14.0
105.41882	0.9
109.02864	1.1
110.98386	0.8
113.02360	12.4
119.03411	3.9
125.02367	19.8
131.03427	16.3
135.07994	1.0
139.03986	1.0
143.03438	3.1
143.10721	100.0
144.11009	4.2
149.04504	25.2
153.47084	0.8
169.27113	0.9
190.02667	1.0
191.05573	8.5
193.03606	0.9
233.06712	4.3
249.06148	1.1
267.07077	2.7
275.16724	1.8
293.08862	51.2
294.09335	4.3
367.40405	0.9
404.76007	1.0
425.72192	0.9
437.20370	5.0
497.16562	4.1
497.24112	1.6
497.31497	3.0
498.16580	1.0
503.76749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.1
55.22658	0.6
57.03343	2.9
59.01266	34.3
61.98711	1.3
69.03350	0.8
71.01270	35.5
71.40916	1.1
72.92789	0.6
72.99191	1.5
73.02451	1.0
73.02835	13.5
77.43777	0.5
83.01281	7.3
85.02842	19.2
86.00005	1.3
87.00752	1.9
89.02344	6.2
95.01269	2.2
95.41310	0.5
97.02853	1.6
99.00780	6.5
101.02348	39.4
102.02744	0.7
109.02842	0.9
111.00779	1.1
111.51026	0.5
113.02360	15.4
119.03431	0.8
125.02354	1.1
129.01805	0.8
131.03409	1.2
143.03435	1.7
149.04491	0.6
159.02960	2.9
161.04515	11.1
213.14987	1.1
248.54045	0.7
305.19763	100.0
306.20123	7.9
349.18771	1.2
437.24011	67.5
438.24350	7.6
497.24127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28558	0.6
59.01276	1.3
70.20042	0.6
71.01284	1.3
71.04912	5.9
71.49026	1.1
72.99192	0.9
76.85384	0.7
85.02859	0.7
89.02327	1.3
93.03352	0.8
95.04932	4.6
97.02850	17.4
101.02364	0.9
108.25677	0.6
121.02908	0.9
123.00809	0.7
125.02388	1.7
135.04364	0.8
137.02380	2.1
139.03941	100.0
140.04303	4.8
160.73148	0.6
163.03917	1.5
165.01880	15.6
165.91537	0.6
169.01376	2.7
183.00349	0.8
183.02982	11.6
203.30339	0.6
221.53194	0.7
253.07925	0.7
331.06540	0.8
345.08322	64.7
346.08749	5.8
497.09900	0.9
497.17828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
58.00475	2.1
59.01264	63.8
60.01592	1.2
61.98713	12.6
69.03337	3.4
69.34971	1.0
69.49540	8.0
71.01271	56.8
71.07941	0.8
72.01591	1.1
72.99188	2.8
73.02833	7.5
75.00763	38.0
81.03348	3.1
83.01269	3.4
84.21590	0.7
85.02844	12.8
87.00765	2.6
89.02338	61.8
92.05242	1.0
95.01301	1.3
96.95930	0.9
97.02852	5.0
99.00777	1.7
101.02341	21.5
109.02871	1.8
111.00706	0.9
113.02356	10.5
114.02657	0.9
119.03402	2.4
125.02362	23.2
131.03429	17.6
134.52051	0.8
139.03941	1.1
140.22539	1.0
143.03423	2.6
143.10713	100.0
144.11110	4.8
146.00830	0.9
149.04503	29.8
161.04546	1.5
167.03506	1.4
191.05566	11.4
228.01915	0.9
233.06631	5.0
249.06181	1.0
252.64691	0.9
267.07272	1.5
275.16458	2.0
293.08844	56.8
294.09091	4.6
295.08224	1.0
325.09058	1.1
437.20349	8.4
461.10992	1.6
479.15048	1.0
479.30011	1.4
497.16946	4.6
497.23645	1.2
497.31332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03346	1.6
58.00497	1.6
59.01267	60.5
60.01603	0.6
60.87788	0.6
61.98719	8.7
62.93824	0.6
69.03345	3.6
70.17332	2.0
70.17744	1.1
71.01272	51.9
72.01603	1.3
72.99197	2.9
73.02842	7.7
75.00769	13.1
81.03349	2.0
83.01283	2.9
85.02848	10.1
87.00768	2.7
89.02340	53.7
95.01283	1.5
96.95889	0.7
97.02859	5.0
99.00786	2.1
101.02349	16.3
109.02853	1.5
113.02361	10.0
119.03416	2.2
119.04984	0.7
125.02374	18.5
126.02666	0.7
131.03435	16.3
132.03702	0.8
135.08113	1.4
136.32356	0.6
137.02400	1.2
139.03934	1.5
143.03441	2.9
143.10715	100.0
144.11047	3.6
149.04503	25.5
161.04523	1.0
163.04047	0.7
164.04782	0.6
167.03461	1.0
173.04538	0.6
177.60455	0.6
185.11783	0.6
191.05571	9.3
193.05113	0.8
203.10747	1.3
205.05054	0.7
225.63058	0.7
233.06676	3.3
267.07257	2.4
269.04813	0.7
275.16705	1.0
293.08865	49.7
294.09094	3.6
364.98410	0.8
437.20407	4.8
438.21170	0.6
479.30359	1.0
497.16574	3.6
497.24005	1.1
497.31296	2.6
498.32047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2614
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01769	0.5
57.03336	1.0
58.00480	0.9
59.01263	100.0
60.01600	1.1
61.98723	2.9
62.96237	0.2
69.03343	0.7
69.32653	2.4
71.01269	24.2
71.58743	0.3
72.01585	0.2
72.99208	1.0
73.02833	13.8
74.80629	0.2
75.00766	0.7
81.03350	0.4
83.01273	5.4
85.02843	6.3
87.00776	1.1
87.04453	0.3
89.02335	8.1
89.84180	0.2
93.03345	0.2
95.01286	1.7
96.95930	0.3
97.02850	0.5
98.19821	0.3
99.00796	0.9
101.02345	16.7
101.05997	0.4
109.02870	0.4
113.02361	14.6
114.02691	0.3
119.03402	3.0
125.02361	0.9
125.06014	0.6
131.03455	1.6
136.05228	2.2
137.02432	0.2
141.01649	0.7
143.03453	1.7
149.04527	1.3
149.06015	0.4
151.07594	9.2
152.08379	11.8
153.08844	0.4
155.03484	0.3
159.02956	0.2
161.04497	4.8
165.09187	0.4
178.72292	0.2
179.05553	1.4
192.61905	0.2
203.05608	0.4
203.10722	1.1
217.12410	0.9
218.13052	0.5
221.06662	0.3
222.03629	0.2
231.14070	0.3
251.71704	0.3
273.18658	1.3
283.15732	0.3
291.19830	1.1
301.16556	0.6
301.24063	0.7
303.18246	0.7
316.33084	0.2
333.20953	0.3
363.24234	0.4
371.20822	0.3
417.22870	0.6
420.21695	0.4
435.23947	11.1
436.24353	1.7
438.22864	0.4
453.25092	5.8
454.25516	0.9
495.18964	0.4
495.25891	6.8
495.70557	0.3
496.20850	0.6
496.26773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.7
57.03318	1.0
57.13919	0.6
58.00474	0.6
58.02611	0.8
58.02866	12.2
59.01262	10.6
61.98716	13.0
66.06104	0.6
69.53628	1.8
69.54053	2.5
71.01273	8.5
72.99187	1.0
73.02824	2.4
73.98202	2.1
74.98985	0.9
75.00768	8.0
78.31480	0.6
83.01244	1.2
85.02853	3.1
86.02375	6.1
87.00782	1.7
88.98713	0.9
89.02338	7.1
90.12012	0.7
90.85829	0.6
98.19907	1.2
99.00792	0.7
101.02347	8.3
102.01872	22.9
102.02537	0.9
103.00285	3.0
103.03922	1.1
109.02866	0.6
113.02351	3.9
119.03414	1.8
119.40456	0.6
125.02403	1.0
129.52614	0.7
131.03415	1.9
149.04504	3.4
153.01805	0.8
161.04472	1.5
181.29442	0.6
183.13852	3.1
191.05621	1.3
195.13901	5.8
211.13411	1.4
213.14958	32.7
214.15268	2.4
215.08786	0.6
229.12672	2.4
232.43031	0.6
247.13773	100.0
248.14091	7.7
248.88158	0.6
272.17032	1.1
289.14661	0.6
305.16257	4.6
334.17014	90.8
335.17340	8.9
354.95322	0.7
376.18051	1.9
436.18848	2.0
437.20602	3.9
496.11893	1.4
496.22406	26.6
496.30972	0.9
496.32446	1.2
497.22507	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	495.2612
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
53.45790	0.3
55.01777	1.0
56.49888	0.3
57.03336	1.3
58.00480	1.6
59.01264	100.0
60.01600	0.7
61.98719	2.9
69.03352	1.0
69.38522	1.9
69.38953	1.0
71.01269	42.3
72.01608	0.6
72.99196	3.0
73.02834	15.7
75.00762	0.7
78.95818	0.4
79.12854	0.3
81.03333	0.5
83.01277	6.0
85.02843	9.2
87.00776	3.0
89.02337	35.6
90.02690	0.6
95.01297	1.7
96.95932	0.4
97.02853	0.6
99.00786	1.4
101.02345	27.3
102.02679	0.6
109.02858	0.4
111.00805	0.4
113.02357	17.3
114.02677	0.6
119.03419	8.4
122.67904	0.3
125.02354	1.7
125.05984	0.7
129.01883	0.4
131.03430	7.8
135.04420	0.3
136.05249	1.8
137.09645	0.7
143.03445	2.9
147.42429	0.3
149.04503	15.6
149.05943	1.4
150.06741	0.4
150.93181	0.3
151.07588	5.5
152.08368	6.9
153.08870	0.3
155.03423	0.4
161.04507	4.9
163.07559	1.0
164.08302	0.4
165.09203	1.3
179.05569	6.8
189.09174	0.4
191.05588	2.5
201.14825	0.4
203.10840	2.1
217.12317	2.0
218.12999	1.8
221.01222	0.4
221.06572	0.4
241.95677	0.4
253.71326	0.3
255.17381	0.5
273.18668	2.9
291.19650	3.0
292.20074	0.4
301.16547	1.1
303.18094	2.0
311.09753	0.3
314.01196	0.3
330.09836	0.3
331.58072	0.3
333.20770	1.7
337.03610	0.3
404.96225	0.3
417.22586	0.9
435.23575	26.4
436.23822	4.1
438.22629	0.7
453.25009	15.6
454.25372	2.3
477.24786	0.7
486.03464	0.3
495.26047	20.8
496.26410	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03328	1.8
58.00472	2.3
59.01263	100.0
60.01600	0.9
61.98702	3.8
69.03322	0.9
69.32446	7.3
69.75417	0.6
71.01269	55.5
72.01608	0.7
72.99198	2.1
73.02840	10.8
74.61947	0.6
82.37890	0.8
83.00845	0.8
83.01263	5.0
85.02838	12.0
87.00769	3.1
89.02337	67.5
90.02678	1.0
95.01296	1.8
97.02879	1.3
99.00802	2.5
101.02344	34.5
102.02759	0.8
113.02358	21.0
119.03411	14.9
125.02392	1.6
131.03427	16.4
132.03748	0.6
134.52020	0.6
135.08064	0.9
137.06108	0.6
140.46716	0.7
143.03468	2.9
149.04492	33.4
150.04831	1.4
151.07607	2.4
152.08377	3.9
156.30138	0.7
161.04507	5.6
179.05556	15.3
179.06985	1.2
181.12439	0.6
187.22101	0.6
191.05594	7.1
203.10783	1.6
217.12395	1.1
251.07759	1.2
269.92703	0.7
273.18600	1.4
291.19827	1.6
303.18185	6.0
337.11020	0.7
338.13470	0.7
354.49866	0.8
363.23917	0.8
435.22614	39.6
436.23068	4.4
453.24988	8.3
454.25299	1.1
468.94171	0.7
495.25916	12.4
496.26480	1.7
519.34711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.2
58.00494	0.4
59.01265	100.0
60.01604	1.4
61.98702	2.9
70.63381	1.3
71.01266	4.6
72.99210	0.7
73.02843	2.1
75.00774	0.7
83.01284	0.9
85.02845	2.9
87.00777	0.9
87.04401	2.5
89.02335	2.0
97.80856	0.3
99.00800	1.1
101.02345	4.5
101.05973	0.6
103.03915	58.0
104.04260	0.8
108.17642	0.4
113.02378	2.8
119.03378	0.7
119.38457	0.4
125.02360	0.6
125.80044	0.4
131.03468	0.4
135.20724	0.4
161.04518	1.4
165.12856	0.4
171.10208	0.4
172.81303	0.4
177.01888	0.5
179.10735	0.4
183.13823	0.7
197.11826	2.3
199.13377	0.6
215.12881	6.1
239.12776	0.4
253.09253	1.3
289.16727	0.4
291.18195	0.4
303.18216	2.7
307.17358	0.4
375.23999	0.4
435.22134	4.3
436.22864	0.5
453.23242	0.6
495.20642	1.5
495.30695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
56.99702	0.5
57.03319	1.4
58.00480	2.1
59.01263	100.0
60.01608	0.8
61.98732	2.6
64.57873	0.7
66.70290	0.5
69.03378	0.6
71.01268	51.2
72.01591	0.8
72.99200	3.3
73.02837	12.6
75.00795	0.7
83.01268	4.6
84.02120	0.6
85.02842	10.9
87.00795	2.1
89.02336	59.9
90.02689	0.7
95.01302	2.5
97.02872	0.9
98.19812	1.8
99.00796	2.4
101.02347	35.8
102.02700	1.0
113.02359	18.3
114.02742	0.6
119.03425	12.6
125.02386	1.9
131.03429	14.6
136.05225	1.3
143.03404	4.2
149.04497	30.9
150.06821	0.6
151.07610	4.0
152.08372	4.4
161.04500	7.3
163.07663	1.0
165.09206	0.8
179.05562	14.2
191.05582	5.5
201.14999	0.6
203.10768	0.7
217.12413	1.3
220.62161	0.5
251.07808	0.7
273.18680	2.2
291.19821	2.2
303.18207	4.7
333.20901	1.5
363.23972	0.7
417.23294	0.7
435.22772	35.2
436.23074	4.0
453.25009	11.7
453.30591	1.0
454.25662	2.0
495.26044	16.8
496.26682	2.2
521.81342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	6.0
59.01266	97.2
60.01601	1.2
61.98717	14.3
67.39454	0.5
67.91206	0.4
69.27651	0.4
71.01274	8.0
72.99215	0.6
73.02837	3.8
75.00787	0.9
77.26611	0.4
83.01276	1.7
85.02840	4.7
87.00809	0.6
87.04410	15.8
89.02345	2.4
95.01288	0.8
96.95927	1.1
99.00759	1.2
101.02337	5.0
101.05979	0.5
103.03915	100.0
104.04253	1.6
113.02363	3.7
119.03403	0.6
125.02331	0.8
127.70810	0.4
131.03473	0.4
137.02330	0.5
147.15126	0.4
149.04488	0.6
150.05473	0.4
151.07570	0.5
152.08403	0.9
161.04547	2.6
166.71019	0.4
177.92635	0.4
221.88347	0.5
226.88042	0.4
289.16599	1.6
296.11600	0.7
303.18097	1.3
328.10681	0.7
347.16815	0.4
349.18698	0.8
363.23874	0.9
420.19208	1.4
432.19760	0.5
435.22443	8.1
436.22623	1.2
453.24631	0.4
464.18359	2.0
495.29547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.0
57.03331	2.2
58.00473	1.0
59.01268	43.9
60.23267	1.0
61.98701	3.5
62.71569	0.8
70.30675	3.5
71.01273	43.3
71.04895	1.0
71.17211	0.9
72.99198	12.8
73.02838	16.4
75.00761	2.2
75.17823	0.8
75.60021	0.9
83.01268	6.5
83.04933	1.2
85.02846	23.5
87.00757	3.6
89.02332	8.0
95.01286	3.2
97.02811	1.2
99.00780	8.2
101.01701	1.9
101.02349	29.9
103.03922	2.0
113.02354	17.8
119.03429	2.1
125.02364	2.1
129.01851	0.9
129.80263	0.9
130.24640	1.1
131.03412	2.5
141.09109	1.7
143.03421	2.5
145.04926	0.9
153.12758	1.0
159.02872	3.5
161.04517	16.5
163.06049	1.4
171.10208	1.3
179.10684	1.1
183.13864	3.7
197.11813	11.4
198.12164	1.2
199.09769	1.2
199.13333	1.9
215.12888	22.3
216.13142	2.1
224.03839	1.0
253.09285	5.7
272.67523	1.1
289.16650	33.2
303.14822	1.3
303.18167	2.6
375.23798	1.8
421.20761	1.1
435.22433	100.0
436.22742	10.2
451.21884	0.9
464.18271	1.0
495.20728	5.6
496.20865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28945	0.8
50.51261	0.7
57.03315	1.4
58.00478	1.6
59.01265	56.8
60.01596	0.9
61.98716	8.9
69.03332	1.9
69.70761	1.6
69.71173	3.5
70.85085	0.7
71.01269	53.1
72.01586	1.5
72.99195	4.4
73.02835	9.3
75.00765	1.1
81.03340	1.8
83.01274	4.6
85.02845	12.7
87.00791	2.0
88.98669	0.9
89.02338	52.9
90.02641	0.9
95.01273	1.8
96.95930	1.1
97.02839	3.6
98.19754	0.8
99.00789	4.0
101.02348	24.2
101.05979	2.2
103.03882	1.1
113.01624	1.2
113.02354	12.1
115.03878	1.0
119.03413	4.0
125.02377	16.4
131.03430	17.9
139.03976	1.0
141.09148	100.0
142.09485	3.6
143.03416	3.0
149.04503	24.1
150.72906	0.8
161.04538	5.8
163.06102	1.4
191.05580	6.6
233.06720	3.8
267.07315	1.0
269.04565	0.9
273.20731	1.0
293.08832	40.5
294.09174	1.9
303.18216	7.1
313.69611	0.8
333.12451	1.1
435.22568	35.2
436.22955	4.3
495.23123	1.3
495.29645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28945	0.8
50.51261	0.7
57.03315	1.4
58.00478	1.6
59.01265	56.8
60.01596	0.9
61.98716	8.9
69.03332	1.9
69.70761	1.6
69.71173	3.5
70.85085	0.7
71.01269	53.1
72.01586	1.5
72.99195	4.4
73.02835	9.3
75.00765	1.1
81.03340	1.8
83.01274	4.6
85.02845	12.7
87.00791	2.0
88.98669	0.9
89.02338	52.9
90.02641	0.9
95.01273	1.8
96.95930	1.1
97.02839	3.6
98.19754	0.8
99.00789	4.0
101.02348	24.2
101.05979	2.2
103.03882	1.1
113.01624	1.2
113.02354	12.1
115.03878	1.0
119.03413	4.0
125.02377	16.4
131.03430	17.9
139.03976	1.0
141.09148	100.0
142.09485	3.6
143.03416	3.0
149.04503	24.1
150.72906	0.8
161.04538	5.8
163.06102	1.4
191.05580	6.6
233.06720	3.8
267.07315	1.0
269.04565	0.9
273.20731	1.0
293.08832	40.5
294.09174	1.9
303.18216	7.1
313.69611	0.8
333.12451	1.1
435.22568	35.2
436.22955	4.3
495.23123	1.3
495.29645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12263	1.3
55.41043	1.2
58.66672	1.2
59.01276	14.6
61.98720	100.0
63.51754	1.1
71.01275	12.1
71.59648	2.3
72.99203	12.5
73.02843	2.4
75.00785	2.3
85.02851	5.3
87.00768	2.4
88.98714	5.5
89.02339	9.5
90.01875	2.6
91.00276	29.8
99.00790	1.4
101.02358	6.9
108.02137	1.3
113.02378	4.1
116.03474	2.1
119.03429	3.7
125.02357	2.7
125.06032	1.4
131.03471	1.9
134.06038	1.4
138.01917	6.9
139.02248	2.7
139.07581	3.0
140.02368	2.3
140.51999	1.3
149.04504	2.3
165.05583	1.5
167.03436	2.1
167.44144	1.2
179.05568	2.5
179.10661	2.1
241.14488	12.0
363.16650	1.8
403.19870	2.4
436.18747	2.5
495.21060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1158
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
57.03338	9.2
59.01263	11.6
59.02110	0.5
60.01607	0.5
61.98711	2.1
63.02276	1.2
65.00207	2.5
69.42404	2.0
69.42832	3.5
71.01280	6.6
72.99202	1.3
73.02840	1.1
75.00773	8.5
79.96120	0.6
82.02930	0.6
83.01273	4.8
85.02851	2.8
87.00760	0.7
89.02335	5.0
93.03384	1.7
94.89316	0.6
95.01291	3.8
98.20537	1.0
99.00793	0.8
101.02337	4.6
105.47564	0.6
107.00666	0.6
107.01292	4.4
108.02075	1.0
109.02866	2.1
111.00761	1.9
113.02361	2.7
119.03416	1.8
121.02798	0.7
123.00819	2.6
123.04469	1.1
124.01587	9.4
125.02367	100.0
126.02703	2.7
137.02361	6.4
138.03162	2.3
139.00302	1.6
149.02357	0.8
150.03154	1.4
151.00302	16.8
151.03914	1.2
152.01100	20.4
153.01904	10.4
159.04472	0.6
163.00333	1.4
164.01109	3.4
165.01840	3.0
166.02641	2.7
167.03477	1.4
169.01328	1.4
170.28732	0.7
175.03970	1.0
176.01099	0.8
178.99823	20.6
179.03473	2.5
180.00179	1.1
181.01392	2.1
181.05017	2.6
188.04893	0.8
190.02643	3.2
192.00533	3.7
199.49164	0.6
203.03413	0.8
204.04298	1.9
205.05028	3.8
207.02971	11.9
208.03601	1.4
214.02629	1.6
215.03455	0.8
217.01485	0.7
218.05846	0.7
219.06587	1.0
223.06180	0.8
227.03600	1.0
229.05057	3.2
230.05824	0.9
231.03020	1.4
232.03789	3.2
239.03368	0.9
239.45117	0.6
245.04555	1.1
246.05354	2.5
247.06197	4.4
255.03047	2.3
256.03735	4.5
257.04553	1.8
271.06253	1.5
272.03360	1.1
273.04050	1.3
274.04837	1.9
283.02594	2.5
287.05472	1.0
289.07355	3.5
299.02216	0.8
300.02832	1.9
304.05853	0.9
305.06720	7.7
315.01370	1.1
315.05164	29.8
316.05554	2.6
333.06223	46.7
334.06656	4.3
347.17191	2.1
369.08160	0.8
392.15390	0.7
435.25882	0.8
467.11929	2.6
477.10556	1.4
494.22202	0.7
495.11569	61.6
495.24200	3.0
495.31900	5.6
496.11957	9.9
496.18774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0794
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
55.71956	1.3
57.03334	2.4
59.01263	32.4
60.01579	1.7
61.98726	8.1
63.02272	3.4
65.00207	8.2
70.63052	4.9
71.01273	16.0
72.99171	3.4
73.02827	3.2
75.00763	10.5
83.01254	4.8
83.04881	1.9
83.79100	1.3
85.02851	9.0
85.91940	1.4
87.00748	4.7
89.02350	7.9
93.03339	1.8
95.01284	7.2
97.02827	2.7
99.00768	3.9
101.02344	10.8
101.05988	7.5
106.00478	3.9
107.01296	7.9
108.02042	3.0
109.02868	13.9
110.00047	1.6
111.00800	10.1
113.02357	9.3
115.03886	1.6
119.03420	3.4
119.04938	2.2
121.02827	2.1
123.00800	9.4
123.04410	2.5
124.01595	3.2
124.98704	2.5
125.02354	8.5
133.02844	4.6
135.00787	3.3
135.04446	2.3
136.01567	1.6
136.98662	3.2
137.02356	3.4
137.99567	2.0
139.00316	9.6
140.55824	1.4
141.01807	4.4
143.03384	1.7
143.04893	3.4
145.02861	2.4
147.04420	3.1
148.01567	2.0
148.98656	1.8
149.02344	5.6
149.05914	1.7
149.99471	6.2
150.99178	1.8
151.00304	27.7
151.03893	2.1
152.01077	7.5
153.01811	4.7
154.99771	1.7
157.02907	1.8
159.04411	6.4
161.02322	4.4
161.05959	2.0
162.21085	1.5
163.00314	5.4
163.03886	4.8
164.01070	2.4
164.98184	5.0
165.01826	3.5
166.99722	4.4
167.03380	1.4
168.00529	5.4
169.01372	4.6
171.04485	7.5
173.02422	3.5
174.03099	2.5
175.00220	1.8
175.03970	10.9
176.01122	2.0
176.15401	1.5
177.01883	3.6
177.99052	9.5
178.99828	32.2
179.03375	2.1
179.05496	2.7
180.00401	2.4
186.03156	2.0
187.03973	12.2
188.04613	2.2
189.01906	8.4
191.03430	3.8
192.00664	1.8
193.01331	5.0
194.99254	5.2
195.06534	3.7
197.02403	2.0
199.03941	10.4
201.01923	6.8
201.11412	1.5
202.02531	2.1
203.03491	12.9
204.04008	2.1
205.01398	5.6
205.05023	1.9
206.99333	2.7
207.03035	2.5
208.00098	2.4
209.00873	4.4
213.01913	3.4
214.02594	3.3
215.03473	15.7
217.01366	4.2
217.04973	2.1
219.02908	4.2
222.98773	2.7
227.03430	3.4
229.01291	3.9
230.02321	3.4
231.02992	12.1
232.03773	14.6
233.00792	3.2
233.04570	11.2
235.02376	1.5
241.01396	3.3
242.02159	2.9
243.03004	20.7
244.03171	3.4
245.00798	2.9
245.04523	4.1
246.01765	2.0
247.02451	3.9
257.00900	2.7
258.01678	4.7
259.02521	15.7
260.03137	6.1
261.04169	7.3
269.00882	2.4
271.02548	40.8
272.02808	4.2
273.03268	2.3
275.02130	2.0
286.01163	4.7
287.02039	51.3
288.02698	15.0
289.03629	10.0
297.00323	4.8
299.02020	30.2
300.02594	6.4
301.03424	2.4
303.01382	5.2
304.01898	2.4
305.03067	2.7
314.00790	2.2
315.01535	100.0
316.01773	10.1
317.02533	4.3
318.03040	1.6
332.01425	13.4
332.04974	3.4
333.02402	12.9
343.06528	2.3
355.06744	1.6
359.06219	3.3
395.09964	7.7
396.10083	1.9
402.18655	1.7
423.09595	4.0
434.24661	3.2
435.25833	2.0
451.08658	5.5
451.32736	5.5
462.08267	9.5
463.08820	3.2
467.08337	1.9
477.06738	6.3
494.18762	2.5
494.30502	2.6
495.07813	84.8
495.18857	6.8
495.31732	6.0
496.08206	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	494.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.6
61.98717	100.0
62.98407	0.2
65.49617	0.1
69.56152	0.4
69.56576	0.7
71.01273	0.6
72.78284	0.2
72.99199	0.2
73.02849	0.2
85.02851	0.4
87.00771	0.2
89.02341	0.3
91.82572	0.1
93.03404	0.2
101.02352	0.4
151.00334	0.3
163.00436	0.2
169.62479	0.2
195.90633	0.2
197.06033	0.2
211.04149	0.3
227.03494	5.1
228.03979	0.3
229.05014	0.7
255.03027	7.3
256.03705	1.2
257.04559	0.4
267.03131	0.2
279.03366	0.2
284.03329	9.1
285.04080	9.1
286.04468	0.6
332.05045	0.2
332.08679	0.2
431.09900	18.6
432.10294	2.3
432.15704	0.2
435.29355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50875	0.4
57.03327	0.5
59.01264	11.9
60.01592	0.5
61.78483	0.4
61.98717	37.0
65.00174	0.5
67.12581	0.4
67.58738	0.5
71.01264	4.8
71.60091	0.4
71.60491	0.8
72.99199	0.5
73.02831	1.0
75.00763	2.4
77.03852	1.8
79.01783	0.9
79.02579	0.5
81.03312	0.4
83.01270	1.0
85.02840	1.6
87.00760	0.5
89.02333	2.9
89.99395	0.4
93.03349	2.5
95.01291	0.7
95.04899	0.5
97.02847	0.5
99.00759	1.2
101.02347	2.9
105.03343	1.0
107.01283	1.3
108.02058	1.2
109.02854	3.8
111.00797	0.7
113.02330	2.1
117.03370	8.3
119.03379	1.1
119.04924	1.8
120.99570	0.5
121.02879	3.0
123.00797	1.0
123.04442	0.7
125.02323	1.5
131.20995	0.5
133.02835	0.5
135.00775	0.8
135.04446	2.7
137.02367	0.8
138.03015	0.4
139.00227	0.7
139.03937	0.6
141.01826	0.7
145.02838	0.5
147.04454	1.0
149.02380	3.4
151.00304	1.5
151.03865	0.5
152.01021	1.7
153.01842	3.1
154.33971	0.4
155.10713	0.7
159.04462	3.1
161.02419	4.0
161.04466	1.2
163.00259	0.9
163.03934	4.1
164.03384	0.6
164.04643	0.4
165.01884	2.1
166.02789	0.5
166.99770	0.5
167.03409	1.3
169.01363	0.8
173.02359	0.9
173.06059	0.4
175.04001	1.0
177.01886	1.0
178.99870	2.2
179.03444	1.2
179.05568	0.8
181.01404	0.7
181.05139	0.6
183.02925	0.4
183.04613	0.4
187.03987	0.6
189.01868	0.8
191.03436	2.6
193.01357	1.5
194.99367	0.5
195.06567	1.7
197.00870	0.7
197.06046	0.9
197.54359	0.5
199.04019	0.5
203.03453	1.9
206.99248	0.5
209.00938	0.6
212.04523	0.4
215.07065	0.5
216.10303	0.5
219.03075	0.6
225.05528	0.8
231.03026	0.7
238.06494	0.7
239.07176	2.3
243.03081	0.7
255.06564	0.7
259.02466	0.7
268.03763	1.9
269.04465	2.4
271.02512	1.5
281.04550	2.3
282.05380	1.8
283.06180	49.9
283.80069	0.5
284.06525	5.0
284.09406	1.0
287.02036	1.4
293.04575	2.0
295.06223	1.3
299.02118	0.9
303.01450	0.8
309.04233	0.5
311.05676	85.0
312.06024	9.1
314.04343	1.0
314.10489	0.8
315.01587	3.6
323.05719	2.9
331.00916	0.8
332.01630	0.6
333.02728	0.6
333.13925	0.5
341.06708	6.1
342.07095	0.9
375.03378	0.6
431.09912	100.0
432.10251	12.6
433.24554	3.7
434.25055	2.1
477.07227	0.5
493.30872	2.8
494.30649	1.4
495.07870	3.1
495.11880	2.4
495.31711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08776	1.2
57.03337	3.1
58.00489	2.8
59.01266	79.5
61.98718	10.6
65.26407	1.2
66.78205	1.2
69.03342	1.5
70.65742	1.1
71.00454	2.9
71.00862	2.3
71.01275	42.5
71.04916	1.7
72.99208	3.2
73.02837	8.2
75.00761	3.3
83.01270	4.4
83.93540	1.3
85.02851	18.6
87.00764	2.6
87.04401	1.8
87.52741	1.2
88.98720	2.9
89.02338	25.2
95.01279	3.4
98.74908	1.3
99.00776	3.5
99.04411	1.6
100.00127	1.2
101.02342	22.8
109.02817	1.6
113.02370	19.7
115.55804	1.4
119.03411	10.0
121.02842	1.2
121.28139	1.1
125.02381	2.1
131.03461	1.2
137.02226	1.7
143.03419	1.9
149.04552	1.3
151.00322	1.3
153.01837	1.6
159.03035	1.9
159.04411	2.0
161.04477	9.0
165.01830	1.4
165.86732	1.4
166.02316	1.2
179.05544	2.9
213.15050	1.6
271.09949	1.3
271.19193	5.4
346.13141	2.9
360.15567	2.2
361.15393	5.8
387.88928	1.3
424.42581	1.3
433.24539	100.0
434.24741	14.3
493.09528	2.5
493.19528	13.5
493.30847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24324	0.4
55.01772	0.6
57.03326	0.7
58.00478	0.7
59.01265	100.0
60.01608	1.6
60.80688	0.4
61.98714	3.0
67.41409	0.4
69.03329	0.5
69.20554	0.4
69.28355	4.5
71.01273	12.2
72.99201	2.5
73.02838	3.0
75.00775	1.3
77.03889	0.5
77.50366	0.4
83.01300	1.8
85.02841	6.4
87.00764	1.1
87.04431	0.6
89.02341	6.5
93.03334	0.4
95.01288	1.2
95.04893	0.5
95.98234	0.4
96.95945	0.5
97.02849	1.0
98.20657	0.4
99.00782	1.0
101.02350	6.2
108.02081	3.7
109.02905	1.7
113.02351	5.8
119.03449	2.0
121.02860	3.3
121.34598	0.4
122.03659	1.8
123.04454	3.0
125.02364	0.8
127.43133	0.4
129.01947	0.8
131.03424	0.7
133.35226	0.4
134.03673	0.7
137.02417	1.7
139.03938	0.7
142.21454	0.5
143.03456	1.2
147.04480	1.7
147.06764	0.4
148.05200	0.8
149.02452	0.6
149.06050	0.8
150.03160	0.8
159.03046	0.5
159.04604	0.7
161.04553	2.4
161.05962	0.8
165.01884	3.0
165.05553	3.8
166.02689	3.9
179.05630	0.6
179.07117	1.0
183.02892	0.6
187.78647	0.5
191.01949	1.0
193.01443	3.1
209.03108	1.9
223.09726	0.4
271.19272	0.5
285.04419	0.5
285.07809	0.5
287.04855	0.5
293.08896	0.5
298.04980	2.0
298.12003	0.7
303.08997	0.8
310.12222	0.6
313.03760	0.6
313.07108	5.7
313.14868	0.7
314.07574	0.4
315.04614	0.7
325.14624	1.7
328.13428	0.5
331.08563	0.5
343.15738	1.3
346.14429	1.2
361.16592	12.4
362.17242	1.3
373.22400	21.3
374.22592	2.0
388.89471	0.5
391.23495	6.2
392.35291	0.5
431.18469	0.9
433.24533	9.5
434.25235	1.1
449.19818	1.2
463.08197	0.7
493.13699	9.9
493.21198	9.6
493.29950	0.9
494.14163	1.2
494.21292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10548	0.3
58.44614	0.3
59.01261	3.7
71.01289	0.3
83.01250	0.4
85.02831	0.4
88.98685	0.8
89.02332	0.3
90.97046	2.0
95.04888	0.4
113.02370	0.4
118.96529	0.7
132.98126	4.0
134.81467	0.3
160.97655	0.5
163.11198	0.3
165.12788	1.0
169.69290	0.3
174.99205	6.2
181.12296	0.7
183.13873	13.3
184.14238	0.7
186.99178	1.0
189.00775	0.4
199.03000	0.4
201.00859	0.4
215.02394	0.7
219.06766	0.4
227.13013	0.7
229.03876	0.9
235.06543	0.5
239.10498	0.7
243.05524	1.1
245.07103	0.6
253.08214	0.9
255.09221	2.9
257.10733	4.0
258.11029	0.4
265.08542	6.7
269.07104	0.4
277.07663	0.4
281.07199	0.6
281.10272	0.3
283.08722	7.2
284.09262	0.5
295.08783	1.0
297.10217	4.6
299.08307	0.3
299.11826	7.8
300.12277	0.7
301.09641	1.8
311.11694	0.6
327.07730	1.1
339.15051	0.5
343.10742	1.4
353.16473	0.7
365.16708	0.5
367.18076	1.0
397.16388	0.3
398.22186	0.4
399.18356	0.8
401.20071	1.2
407.21149	0.7
413.20145	0.5
418.17627	0.6
419.21182	1.7
421.22870	5.0
422.22864	0.4
423.24316	2.4
424.24167	0.5
429.20114	0.4
431.21231	9.9
432.21555	1.5
449.22342	5.5
450.22687	0.6
457.19476	0.3
462.16617	0.4
463.20251	0.5
465.21826	1.3
467.23459	0.7
475.20200	11.0
476.20447	1.5
493.21289	100.0
494.21652	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	493.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69439	1.0
59.01263	12.6
61.98707	3.4
70.59629	3.4
71.01273	1.7
96.95910	1.8
101.20223	1.0
103.23567	1.1
113.02413	1.1
211.04015	1.7
213.05638	1.2
226.02782	1.6
227.03444	1.3
239.03464	5.6
240.04248	2.7
254.02260	2.8
255.03096	1.5
267.03110	3.6
268.03903	8.3
269.04553	9.1
281.04663	3.7
283.06329	2.3
290.05661	1.4
296.03412	1.7
309.04089	3.4
312.06403	2.7
327.08911	7.6
331.06339	1.7
346.05008	2.7
347.05792	2.7
358.04724	1.4
359.05701	2.5
362.08435	1.1
371.05664	2.4
375.05209	2.1
387.05154	3.5
389.06744	1.5
390.07440	1.8
399.05124	3.6
403.04504	3.0
404.09106	3.7
405.10016	2.3
415.04755	3.4
417.05975	1.5
418.06857	6.7
430.07135	4.3
432.08456	8.1
433.09717	7.4
435.10919	7.7
445.09448	3.8
447.11020	1.3
448.11874	1.3
463.10422	100.0
464.10587	15.1
475.13879	1.6
478.12784	27.7
479.13022	5.0
493.15173	98.7
493.26935	3.2
494.15591	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03341	2.2
58.00463	0.4
59.01264	49.7
60.01577	0.8
61.98716	0.4
67.01789	0.5
68.99696	0.6
69.03331	0.9
69.20371	4.6
71.01267	10.2
72.99187	4.2
73.02837	2.1
75.00758	8.5
83.01273	0.9
83.51519	0.3
83.66463	0.3
85.02840	10.4
87.00764	2.9
88.98705	0.8
89.02330	3.2
93.03329	0.4
95.01280	2.9
96.95888	0.6
99.00779	6.9
101.02392	2.2
101.02927	0.4
103.00289	0.8
104.31628	0.4
111.00772	0.7
113.02360	8.7
114.71349	0.4
115.00258	1.8
117.01852	1.4
118.07057	0.4
119.03413	0.5
123.61050	0.4
129.01862	0.9
137.09685	0.5
139.11211	13.5
140.11551	0.6
150.03178	0.5
155.10809	0.4
157.01401	0.7
161.04433	0.9
163.11255	0.6
164.84250	0.4
165.05589	0.5
168.79117	0.5
175.02451	1.1
179.05621	0.7
181.12300	5.1
183.10220	12.6
184.10568	0.5
199.09698	0.7
199.13397	0.9
225.11336	4.3
231.05171	0.5
243.02924	0.4
243.12392	4.2
249.06183	8.4
250.06546	0.7
259.02521	0.5
271.02551	0.8
287.01993	1.4
299.15265	0.5
299.92975	0.4
315.01535	2.4
316.02219	0.9
317.16113	3.8
318.16443	0.5
330.03922	3.5
331.04532	1.6
373.22345	1.1
391.23373	1.2
431.19186	1.4
433.17197	2.4
433.24112	3.0
475.18341	3.3
493.10632	3.8
493.19336	100.0
494.19705	11.2
513.44336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51857	2.2
59.01266	15.0
59.33523	2.4
61.26913	2.2
61.98713	5.0
62.76989	2.3
69.33773	3.3
69.34174	23.2
71.01298	2.6
78.95847	2.1
85.96786	2.1
96.95929	5.5
119.01255	2.7
125.02351	3.0
128.04897	2.6
138.03201	2.3
149.06023	31.0
161.02391	5.0
171.10474	2.9
209.11957	3.2
239.03557	2.9
240.04283	3.7
241.05014	3.1
251.03410	2.5
253.05035	3.1
262.47336	2.5
267.03003	4.2
267.16223	2.4
268.03799	13.8
269.04556	11.3
280.69339	2.4
281.04742	5.1
282.05258	2.5
283.06152	2.6
296.03391	2.8
297.04208	9.6
309.04153	6.6
319.06317	3.5
327.08774	8.6
331.06024	5.8
343.06345	2.7
347.05731	9.9
359.05804	7.7
362.08231	5.4
375.05209	13.7
387.05258	10.2
388.11133	2.6
398.04468	2.8
399.05289	9.5
400.06131	3.6
403.04523	30.5
405.10049	4.1
413.06772	4.2
414.07291	11.4
415.04150	2.6
417.05847	3.5
418.06955	30.3
420.09103	4.3
428.09146	3.1
429.10168	5.2
430.06915	10.6
431.07361	2.9
432.08521	4.6
433.09360	59.0
434.09732	9.4
435.10828	5.3
443.11584	4.6
444.12311	5.6
445.09290	45.4
446.09836	4.7
448.12009	15.8
460.11719	20.5
461.11508	3.8
463.10123	59.4
463.14499	63.7
464.10400	8.6
464.15292	6.5
475.14026	74.2
476.14417	11.1
478.12903	27.8
479.13217	4.0
493.15204	100.0
493.27753	6.2
493.35568	4.6
494.15674	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	492.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02299	0.2
57.03328	0.2
59.01270	2.1
60.99178	0.2
61.98708	0.2
62.25007	0.2
69.70140	0.8
69.70550	0.4
71.01263	0.8
73.02843	0.3
76.77193	0.2
82.40231	0.2
83.95326	0.2
85.02835	0.4
87.00765	0.5
88.00302	1.3
88.98692	1.5
89.02348	1.0
96.95928	0.3
101.02372	0.5
101.07668	0.2
108.02081	8.9
109.02399	0.3
113.02357	0.3
138.01903	100.0
138.88025	0.2
139.02252	3.2
150.03156	0.2
160.04047	0.3
160.09554	0.2
195.06662	0.2
196.06989	0.2
269.10303	0.4
270.10699	0.6
432.78998	0.2
433.24390	0.2
440.62399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.6
59.01266	100.0
60.01618	2.6
61.98715	8.5
71.00948	1.5
71.01273	14.3
71.60840	2.5
72.99176	2.1
73.02840	6.5
75.00751	2.8
82.27142	1.2
83.01274	3.0
83.34927	1.6
85.02827	6.2
87.00745	2.3
89.02354	11.2
99.00781	1.8
101.02348	10.9
102.02680	1.3
110.05222	1.8
113.02334	6.1
119.03410	2.8
121.02768	1.7
125.02351	4.2
125.82097	1.6
131.03362	1.8
135.04483	1.5
137.78876	1.6
137.91690	1.3
148.05199	2.2
149.04451	2.8
151.00249	2.2
161.04454	3.5
178.99875	1.9
210.30521	1.4
231.45755	1.5
293.08868	6.2
316.02081	1.5
331.04666	4.5
331.08377	1.5
352.72574	1.3
373.22357	11.0
381.00159	1.8
391.23355	5.9
433.24384	6.5
493.14624	15.6
493.20419	3.3
494.15369	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	493.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.1
61.98714	2.0
69.62844	1.4
69.63191	7.8
71.01266	2.3
78.95773	1.9
87.63348	0.9
87.88864	0.9
96.95918	1.0
98.19749	0.9
101.02351	1.3
121.02843	1.0
123.00827	1.3
130.32649	0.9
132.20943	1.2
137.02402	1.1
138.03136	1.2
145.02931	1.0
146.74246	0.9
152.09380	1.0
165.01878	0.9
171.10248	1.7
179.03455	5.2
180.04088	1.4
194.05748	1.7
209.11813	2.0
211.03935	1.3
225.05573	2.1
227.03534	1.6
239.03426	1.0
240.04300	2.3
241.05099	15.5
242.05449	1.0
242.47192	1.1
253.05132	4.3
255.03021	2.1
267.02951	1.7
268.03821	49.7
269.04578	49.1
270.04968	4.6
281.04626	1.2
282.05414	7.2
283.06152	35.4
284.06714	5.4
284.95828	1.1
293.17636	2.1
296.03339	13.5
297.04083	36.2
298.04434	3.7
309.04153	4.2
310.04813	3.6
311.05664	2.4
312.06454	31.5
313.06860	3.4
316.05942	5.6
325.07275	7.7
325.20059	1.9
326.07788	4.9
327.08813	72.2
328.09091	6.7
330.07483	1.4
331.06216	2.0
339.08746	1.8
359.05511	1.9
371.05515	1.6
375.05103	3.7
387.05136	2.7
399.05069	1.5
403.04642	3.4
404.05383	7.6
405.06079	3.4
415.04614	1.7
418.06982	2.9
419.07690	3.1
420.08685	3.1
429.09750	1.4
430.07010	2.8
433.09399	3.4
434.10040	8.9
435.10855	9.2
445.09457	2.9
446.09293	1.1
449.12265	3.4
450.13257	3.6
460.11841	3.0
463.09821	6.8
465.15704	2.4
475.14130	2.3
478.12750	5.5
493.15161	100.0
494.15567	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	491.3384
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
53.01861	0.4
54.76458	0.4
59.01263	4.0
61.98714	1.9
64.57813	0.5
71.01273	0.7
71.04903	1.1
71.59863	0.7
73.12637	0.4
77.48223	0.4
78.86445	0.4
85.02885	0.5
88.08006	0.5
96.95918	4.2
99.04439	0.4
111.08065	1.7
124.75613	0.4
137.09676	1.5
139.11226	5.0
170.69385	0.5
237.15021	0.7
239.16508	6.5
251.16519	1.9
263.20178	0.8
360.06934	0.5
381.75906	0.5
387.32825	1.5
398.36221	0.5
401.34610	1.3
403.35751	1.4
429.33731	1.0
447.35022	14.5
448.35193	2.2
473.33286	1.0
491.33932	100.0
492.34369	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	492.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48080	0.1
59.01270	0.8
59.11745	0.1
60.99191	0.1
61.98722	0.2
69.34071	0.1
70.49627	0.2
70.49989	0.2
71.01263	0.6
73.02821	0.1
75.00763	0.2
78.17374	0.1
85.02827	0.2
87.00761	0.3
88.00283	0.8
88.98695	1.7
89.02341	0.7
96.95904	0.3
100.95059	0.1
101.02354	0.3
108.02080	7.4
108.62208	0.1
109.02435	0.3
109.34332	0.1
113.02364	0.2
128.43947	0.1
130.42911	0.1
131.03491	0.1
135.27525	0.1
138.01901	100.0
138.05411	1.5
139.02254	3.3
139.03865	0.1
149.04449	0.3
155.32829	0.1
160.03769	0.1
219.69966	0.1
237.93439	0.1
432.15323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93886	0.1
55.01757	0.3
57.03310	0.1
58.00498	0.2
59.01265	4.2
61.45298	0.1
61.98722	0.1
67.48359	0.1
69.03337	0.1
71.01273	3.3
71.62508	0.1
71.62962	0.1
72.99194	0.3
73.02837	1.0
75.00778	0.1
80.08002	0.1
81.03370	0.1
83.01279	0.6
85.02842	0.9
87.00784	0.4
89.02339	2.9
89.02909	0.1
90.02724	0.1
91.03905	0.3
94.12106	0.1
95.01292	0.2
96.42764	0.1
97.02870	0.2
99.00780	0.3
101.02351	3.7
101.40615	0.1
103.03924	0.1
113.02361	1.6
115.03944	0.1
119.03410	0.9
125.02391	0.1
131.03438	0.1
133.04988	0.4
143.03427	0.3
149.04468	0.1
152.99464	0.1
157.04982	0.2
161.04507	1.2
178.48366	0.1
179.05518	0.4
186.22708	0.1
235.08250	1.8
236.08513	0.1
237.22205	0.1
253.09334	12.2
254.09702	0.7
255.23334	100.0
256.23672	8.6
269.24805	0.1
287.76840	0.1
371.01550	0.1
491.33527	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.9
57.03341	0.9
58.00476	1.2
59.01265	100.0
60.01590	1.2
61.98717	16.4
69.91367	0.5
71.01270	16.3
72.99197	1.1
73.02840	11.9
75.00760	3.3
78.18114	0.6
83.01279	4.1
85.02848	3.4
85.99969	0.5
87.00772	2.3
89.02345	10.3
95.01273	0.8
96.95939	0.6
97.02852	0.8
98.19775	1.2
99.00767	1.5
101.02345	15.5
102.02655	0.6
108.02099	0.5
108.82224	0.5
109.02844	0.8
113.02359	8.5
119.03429	2.7
121.02869	3.5
125.02373	1.2
131.03452	1.6
135.04449	2.4
138.03154	0.7
143.03419	1.5
147.04530	0.6
149.04532	3.8
150.74571	0.5
153.09187	3.0
161.04504	5.3
165.05470	0.5
168.64996	0.5
179.03459	0.6
179.05620	0.7
181.04623	0.6
182.05858	0.8
193.05130	0.7
195.06459	0.8
197.04449	0.5
197.08214	1.0
207.03012	0.6
209.15471	4.0
221.06619	1.2
227.16550	0.9
240.04315	0.6
254.05794	0.6
255.06731	0.8
263.26779	0.5
268.07394	1.2
269.08273	1.9
270.08969	1.2
281.08255	4.9
282.08783	1.2
283.09894	2.5
286.04108	0.7
293.08856	1.1
296.10315	0.8
299.09329	2.1
313.10718	0.6
314.11639	3.6
315.12363	2.1
329.10501	0.9
329.13971	4.0
330.14209	0.6
341.13922	0.6
343.11957	2.0
345.00186	0.5
371.20779	6.2
372.20956	0.7
389.21960	1.2
431.22897	11.4
432.23355	1.4
445.60306	0.5
461.14484	1.0
476.17148	3.2
491.12289	2.2
491.19324	38.3
492.12695	0.8
492.19617	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	491.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
56.84625	0.2
57.03365	0.2
59.01265	100.0
60.01595	1.1
61.98719	0.9
71.01270	3.3
71.04889	0.3
71.60275	0.3
72.99220	0.3
73.02844	1.0
75.00764	1.1
83.01277	0.5
85.02861	1.4
87.00775	0.2
89.02344	1.9
93.03432	0.2
95.01294	0.3
96.95930	1.2
97.02840	0.4
99.00809	0.3
101.02348	2.5
113.02353	1.7
119.03463	0.7
125.02415	0.3
134.98183	0.2
149.02426	0.5
150.03212	0.2
152.07176	0.2
155.10739	0.5
161.04507	1.0
163.03941	0.3
165.05583	0.3
179.05614	0.4
181.05261	0.2
200.56454	0.2
216.04198	0.2
227.16542	1.2
243.02995	0.3
267.07523	0.3
269.13403	0.2
270.56049	0.2
271.02542	0.3
285.08124	0.2
300.02658	0.3
311.05685	0.5
312.66202	0.2
371.21021	0.7
372.07663	0.3
389.21710	1.5
424.65106	0.2
431.22852	4.4
432.23431	0.6
491.18335	1.2
491.29691	0.4
492.11578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08134	0.4
53.91468	0.3
58.76818	0.3
59.01266	100.0
60.01604	0.8
61.98716	0.6
62.72139	0.3
69.56567	0.7
69.56979	2.2
71.01278	3.2
72.99205	0.4
73.02842	1.2
75.00767	0.8
83.01260	0.5
85.02851	1.7
87.29844	0.3
89.02367	1.3
93.03352	0.6
99.04407	0.5
101.02334	2.0
113.02368	1.5
113.43009	0.4
114.07872	0.4
120.01176	0.5
133.02878	0.4
149.02394	1.5
161.04529	1.1
195.06659	0.6
203.93614	0.4
275.70364	0.4
329.14191	0.5
330.23447	0.4
389.22150	0.5
431.22989	3.3
491.18939	4.3
491.25006	0.5
492.18787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2148
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.42854	0.5
57.03331	4.3
57.47399	0.5
59.01266	37.2
60.01571	0.6
61.98713	2.3
67.01774	1.5
68.99695	1.9
69.03347	1.8
69.64491	3.2
71.01268	16.8
71.04899	1.0
72.99192	1.6
73.02835	3.3
73.42143	0.6
75.00744	1.6
81.03345	0.7
83.01285	2.4
83.04951	0.6
85.02840	15.3
87.00784	5.2
88.23972	0.5
89.02338	6.6
91.03880	1.2
91.59472	0.6
95.01270	2.7
98.20504	1.0
99.00793	1.5
101.02338	6.1
101.06034	0.6
110.43922	0.6
111.00811	2.1
111.08074	2.5
113.02357	15.3
115.00276	1.0
119.03422	1.5
119.91341	0.6
129.01868	2.0
131.03386	1.1
137.44327	0.5
139.00255	0.9
149.04512	2.1
155.14325	1.2
157.01379	1.8
161.04523	1.3
165.12796	20.9
166.13116	1.3
170.90182	0.6
175.02473	0.8
183.13869	100.0
184.14226	6.7
185.11871	0.7
189.03931	1.2
191.10732	0.7
197.06140	0.8
199.13408	1.8
205.07172	1.1
209.11832	2.7
225.15004	1.1
227.12885	8.5
249.06175	1.5
263.07697	5.9
281.08795	9.5
301.16602	6.6
331.18903	0.6
336.05679	0.6
387.20154	0.9
405.21280	1.3
415.19745	4.5
431.22858	1.7
447.22464	10.7
448.22827	1.6
459.18848	8.2
460.18909	0.8
473.20398	3.0
474.20273	0.6
491.21436	79.2
492.21808	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	491.2144
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
56.13021	0.8
57.03333	7.6
58.00464	0.6
59.01264	42.3
60.01601	0.7
61.98711	2.8
67.01757	1.0
67.36253	0.5
68.99702	1.9
69.03334	4.4
71.01267	22.4
71.04910	1.4
71.60879	1.0
72.99198	9.0
73.02824	3.7
74.62617	0.6
74.75360	0.6
75.00761	20.6
83.01283	1.7
83.04928	1.3
85.02837	23.1
86.03168	0.6
87.00771	8.9
89.02342	4.8
93.03370	1.8
95.01283	6.2
97.02835	1.1
97.06480	1.3
99.00778	11.8
101.02345	2.3
103.00277	2.2
109.02891	0.6
111.00800	2.4
111.08064	11.6
113.02351	29.2
115.00294	1.8
117.01841	2.8
121.02840	1.3
129.01862	1.9
137.02362	1.7
139.00276	1.0
149.04526	0.7
153.44334	0.6
154.00960	0.6
154.93571	0.6
157.01364	1.0
161.04526	1.0
163.07599	0.6
163.11142	0.7
165.12790	84.2
166.13135	6.1
173.62843	0.6
175.02396	4.1
181.12283	2.4
183.13857	16.3
184.14240	1.0
189.04102	0.9
191.10789	1.9
197.15454	0.6
205.07112	1.5
206.99928	0.7
209.11798	8.1
227.12886	9.1
231.05029	3.2
241.14540	2.3
249.06174	18.4
250.06491	0.8
267.07126	2.6
271.63361	0.7
291.48737	0.7
301.16559	1.2
359.27673	0.7
415.19855	15.0
416.20462	1.3
447.14526	1.9
459.18930	3.4
473.20615	3.7
474.20767	1.2
491.21408	100.0
492.21686	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	491.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
56.52699	0.6
56.64196	0.7
57.03334	6.2
57.68217	0.6
58.00489	0.9
59.01263	54.7
61.98723	3.8
67.01776	1.2
68.99700	1.9
69.03348	2.8
71.01270	34.0
71.55960	0.9
72.01598	1.0
72.27113	0.6
72.99200	7.0
73.02836	2.1
75.00761	28.3
81.03352	1.3
83.01275	1.8
83.04912	2.8
85.02840	37.0
86.03178	0.8
87.00770	15.7
88.98740	0.8
89.02341	8.5
91.03909	1.9
93.03365	1.0
95.01294	8.2
95.04907	0.7
96.95924	1.1
97.06489	6.2
99.00787	12.9
101.02358	2.2
103.00266	3.7
111.00788	1.7
111.08069	6.3
112.01566	1.0
113.02353	47.0
114.02720	1.3
115.00287	3.1
117.01858	4.4
129.01871	3.3
131.03406	1.2
139.00282	1.2
157.01358	1.7
163.11194	1.8
165.12798	60.2
166.13126	3.9
175.02451	4.4
183.13768	0.8
197.15446	7.1
198.15836	1.1
200.28616	0.7
205.07155	2.4
207.04999	1.2
209.11781	3.6
223.08144	1.3
223.13394	1.0
227.12910	2.1
231.05136	2.6
241.14461	10.8
249.06187	39.9
250.06499	1.8
251.47781	0.7
263.76727	0.7
267.07263	100.0
268.07605	5.0
358.97415	0.8
415.19705	0.9
434.09125	0.7
446.89069	0.7
473.20792	1.3
473.30869	0.8
491.21414	95.1
492.21683	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	491.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03339	1.9
58.00473	1.3
59.01265	71.8
60.01619	1.1
61.61568	0.8
61.98709	3.3
63.51171	0.7
63.97356	0.8
64.97524	0.8
71.01268	28.4
71.61011	1.2
72.99208	2.1
73.02837	14.4
75.00767	2.9
75.77071	0.9
79.95641	0.8
83.00848	0.8
83.01279	4.7
85.02835	11.5
85.06486	2.4
87.00803	4.5
89.02339	9.8
94.69180	0.8
95.01269	1.3
97.02876	1.2
97.06449	1.1
99.00779	5.0
101.02347	20.6
105.97158	0.8
109.02863	0.9
113.02350	10.4
113.09670	0.9
119.03398	1.8
123.04417	0.9
125.02359	1.4
129.01839	0.8
136.36015	0.9
153.12761	1.1
155.14383	9.7
161.04485	4.1
181.12312	1.1
181.16010	3.8
199.13382	19.3
200.13699	1.2
209.64459	0.8
225.14883	4.4
287.22321	3.5
329.17651	1.8
359.27991	1.0
387.20316	8.5
405.21414	17.9
406.21722	2.5
431.26563	2.0
447.22446	100.0
448.22809	12.2
449.27493	4.7
491.28445	17.6
492.29425	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	491.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.6
58.76148	0.6
59.01264	35.6
60.01611	0.7
61.98691	1.0
67.01800	0.7
68.99691	1.0
69.03338	1.2
70.67613	2.0
71.01270	10.5
72.99206	2.6
73.02819	2.4
75.00758	8.1
78.95785	0.7
79.95641	0.5
81.03316	0.7
83.01257	1.0
83.04904	0.6
85.02844	8.9
87.00769	4.6
89.02330	3.7
91.03920	0.5
93.03338	1.0
95.01286	2.5
96.95911	24.2
96.96883	1.4
98.02406	2.9
99.00793	5.0
99.04391	0.7
101.02374	2.6
103.00246	0.7
111.00771	0.7
113.02354	10.3
115.00282	1.3
117.01854	1.0
125.02331	0.7
129.01872	1.1
131.03409	1.0
135.04407	0.9
135.11725	0.6
137.02383	0.7
137.09630	3.8
138.52249	0.6
151.23665	0.6
152.12398	0.5
153.09157	1.2
161.04323	0.6
161.09610	1.4
175.02559	0.8
177.99103	0.5
179.05714	0.6
179.10799	2.6
181.08615	1.9
189.03979	0.5
197.11768	2.4
223.09787	1.0
231.05070	1.3
249.06189	9.3
267.07233	6.6
315.14426	2.6
371.20743	0.7
429.17749	1.2
431.15546	1.8
431.22803	2.4
473.09479	1.8
473.16620	2.1
491.17804	100.0
492.11057	0.7
492.18115	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	491.1934
Annotation	Schizandriside
Peak:m/z	Relative Intensity
54.08150	0.3
55.01781	1.3
57.03350	1.5
58.00484	1.6
59.01265	42.9
61.98715	7.6
69.03342	0.5
69.55546	3.0
71.01271	23.7
72.99192	2.1
73.02834	3.6
75.00755	1.1
81.03384	0.4
83.01292	2.6
85.02840	6.5
85.99976	0.4
86.44304	0.3
87.00790	1.7
89.02335	17.2
91.01814	0.9
95.01306	0.5
98.20532	0.8
99.00801	1.0
101.02340	4.1
104.23951	0.4
108.02097	1.7
109.02863	11.6
110.03133	0.4
113.02361	2.9
119.03419	0.9
122.03629	0.7
123.04452	2.6
129.01871	0.7
131.03447	1.5
135.04475	0.6
149.04492	0.9
159.04471	5.1
161.04532	0.8
161.05991	0.7
171.04524	0.9
172.05240	4.3
173.06024	5.3
174.06537	0.4
187.07617	3.7
189.05502	2.6
190.06297	0.8
191.07100	1.8
201.05511	0.6
203.07059	1.8
205.08675	0.8
209.11848	0.8
225.05629	0.7
239.07191	0.6
240.04285	1.6
241.05069	9.0
242.05559	0.8
253.05104	2.2
253.08788	0.6
255.06633	4.7
256.07291	0.6
263.07321	0.9
265.08707	0.7
267.06702	2.2
267.10165	0.8
267.98874	0.5
268.07385	2.3
269.08105	1.4
269.14020	4.5
269.17200	0.8
270.14310	0.5
277.08490	0.5
279.06760	1.2
280.07416	1.5
281.08264	4.1
282.08661	1.1
283.09763	2.2
284.10678	0.8
293.08340	0.5
295.09857	7.1
296.10529	3.1
297.07578	0.5
297.11179	0.9
298.08521	1.2
299.09363	4.9
299.12720	0.9
300.09708	0.4
305.93872	0.4
309.11411	0.7
310.08588	0.5
311.09326	5.7
311.12997	1.7
312.09766	1.1
312.13232	0.5
313.10880	10.6
314.11377	1.1
325.10974	0.8
326.11655	6.5
327.12317	1.4
329.10431	3.1
329.23419	0.4
330.10352	0.4
341.14001	12.5
342.14398	1.1
343.11932	2.1
344.12717	25.4
345.13123	3.1
355.11972	0.4
359.15082	84.3
360.10968	0.6
360.15399	9.3
371.20654	0.4
389.21954	0.5
431.22946	1.5
461.18179	4.3
462.18555	0.4
473.18164	3.9
476.17346	0.7
491.19339	100.0
492.19693	16.4
492.27066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.8
57.03351	1.8
58.00475	2.9
59.01267	64.1
60.01609	1.5
61.98718	19.9
67.12141	1.0
69.64233	7.8
70.15861	0.9
71.01269	63.3
72.99194	4.2
73.02832	10.7
73.03213	1.7
73.99542	1.5
75.00771	2.2
76.17889	1.0
78.95798	1.3
83.01270	4.3
85.02838	14.4
87.00797	5.3
87.78142	1.2
88.98759	1.1
89.02339	56.8
95.01285	3.1
96.95918	4.9
97.02906	1.5
99.00775	4.2
99.04464	1.3
101.02349	40.2
101.03016	2.1
103.21508	1.1
108.02084	1.1
110.98482	1.4
111.00789	2.3
113.02363	20.3
119.03421	16.6
119.04882	1.2
125.02349	3.9
131.03412	11.8
138.01907	3.0
138.05502	1.7
143.03426	3.4
146.98463	1.2
149.04494	21.8
161.04507	6.7
179.05563	2.3
180.08636	1.2
185.41475	1.0
191.05548	6.2
225.11130	1.0
233.06674	2.4
269.04550	1.5
293.08844	5.0
299.11420	72.2
300.11688	5.6
431.15652	100.0
432.15994	11.2
491.14612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1783
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
57.03334	3.6
58.76148	0.6
59.01264	35.6
60.01611	0.7
61.98691	1.0
67.01800	0.7
68.99691	1.0
69.03338	1.2
70.67613	2.0
71.01270	10.5
72.99206	2.6
73.02819	2.4
75.00758	8.1
78.95785	0.7
79.95641	0.5
81.03316	0.7
83.01257	1.0
83.04904	0.6
85.02844	8.9
87.00769	4.6
89.02330	3.7
91.03920	0.5
93.03338	1.0
95.01286	2.5
96.95911	24.2
96.96883	1.4
98.02406	2.9
99.00793	5.0
99.04391	0.7
101.02374	2.6
103.00246	0.7
111.00771	0.7
113.02354	10.3
115.00282	1.3
117.01854	1.0
125.02331	0.7
129.01872	1.1
131.03409	1.0
135.04407	0.9
135.11725	0.6
137.02383	0.7
137.09630	3.8
138.52249	0.6
151.23665	0.6
152.12398	0.5
153.09157	1.2
161.04323	0.6
161.09610	1.4
175.02559	0.8
177.99103	0.5
179.05714	0.6
179.10799	2.6
181.08615	1.9
189.03979	0.5
197.11768	2.4
223.09787	1.0
231.05070	1.3
249.06189	9.3
267.07233	6.6
315.14426	2.6
371.20743	0.7
429.17749	1.2
431.15546	1.8
431.22803	2.4
473.09479	1.8
473.16620	2.1
491.17804	100.0
492.11057	0.7
492.18115	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	491.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.5
59.01265	9.7
62.41322	1.3
64.25404	1.1
64.82624	1.4
67.55450	1.3
71.01268	7.2
71.53114	1.7
72.99198	2.8
73.02824	2.8
75.00760	2.6
81.03366	4.4
81.46790	1.3
83.01265	7.6
85.02845	4.9
86.02351	1.9
87.00751	2.1
88.98702	2.4
89.02319	5.3
93.03352	2.2
95.04917	4.4
97.02837	3.5
99.00770	2.8
99.04446	2.3
101.02350	5.0
103.70097	1.4
107.04884	1.7
109.02862	3.2
113.02315	3.4
119.04862	1.5
120.01152	2.9
121.02862	3.0
121.06499	1.6
123.04426	12.3
125.02359	9.5
135.04433	4.5
137.02370	3.4
137.05988	6.0
139.03897	5.3
147.04422	1.6
149.04524	1.9
149.06007	1.6
151.03905	2.6
153.05505	1.5
161.06021	1.5
163.03941	3.7
165.05484	5.6
167.03444	21.0
170.89035	1.3
175.02505	1.2
179.03429	5.3
180.04221	1.9
181.04999	3.2
193.05002	4.1
195.06633	3.5
197.04520	7.8
209.04570	36.9
210.04889	1.8
221.04631	10.3
235.06128	3.7
239.05632	13.6
239.68326	1.3
251.05646	100.0
252.05937	8.2
263.05698	5.3
265.07571	1.4
281.06726	59.5
282.07141	3.5
293.06726	2.9
311.07733	16.2
322.92041	1.4
353.08829	5.2
371.09921	20.0
372.10361	2.6
383.09857	3.3
401.11008	3.0
424.24429	1.3
473.13104	2.3
485.06116	1.5
491.13644	10.4
492.15469	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.1
61.60052	0.6
62.77751	0.6
69.66352	3.7
69.66763	1.5
71.01266	1.8
73.02848	2.6
76.12059	0.7
80.24212	0.7
83.07687	1.0
85.72599	0.8
89.02339	13.0
96.95931	1.1
99.86115	0.7
100.70866	0.7
103.03917	1.5
107.56260	0.7
111.45219	0.7
131.03441	4.1
139.65611	0.9
149.04492	100.0
150.04878	2.9
152.92383	0.7
195.99982	0.8
332.67737	0.7
338.78796	0.9
345.89832	0.8
355.52435	0.8
413.74557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67000	0.1
59.00967	0.2
59.01265	4.3
60.01597	0.4
61.01703	0.4
61.98717	100.0
62.98409	0.2
69.03337	0.4
70.13129	0.4
71.01270	3.3
72.01614	0.7
72.99169	0.2
73.01714	0.5
73.02834	0.3
74.02407	0.2
85.02857	0.4
87.00777	0.2
89.02335	2.8
90.02680	0.6
91.02774	0.6
97.02863	0.3
98.19881	0.2
101.02372	0.7
102.02724	0.2
113.02348	0.5
119.03423	0.2
125.02357	0.9
126.02704	0.4
127.02887	0.2
131.03436	0.5
132.03807	0.3
133.03841	0.2
133.06532	1.1
134.06847	0.8
135.07240	0.2
149.04453	0.7
150.04823	0.4
151.04959	0.4
179.60533	0.2
191.05536	0.3
195.71367	0.1
271.02603	0.2
285.04193	0.3
293.08835	0.6
294.09274	0.8
295.09348	2.0
296.09616	1.3
299.01968	0.2
313.03748	0.2
430.17230	0.2
461.07800	0.2
461.18292	0.3
491.12253	0.9
491.19394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
56.99702	0.3
57.03339	1.1
58.00475	0.5
58.04225	0.3
59.01263	100.0
60.01599	1.3
61.01696	0.3
61.98737	0.6
68.99692	0.4
69.03339	0.3
69.35369	2.4
71.01266	8.9
72.99200	1.6
73.02840	2.2
75.00754	2.6
83.01293	0.9
85.02850	4.2
87.00787	1.3
88.60623	0.3
89.02345	4.9
91.01773	0.3
93.03366	0.3
95.01280	0.7
96.95893	0.3
99.00788	1.9
99.04389	0.4
101.02341	4.3
102.01882	0.3
107.01321	0.4
109.02853	1.7
113.02366	4.8
115.00276	0.4
119.03404	1.1
121.02914	0.3
123.04477	0.3
129.01830	0.4
131.03419	0.5
132.02042	0.4
133.02888	1.2
135.00827	0.3
135.04469	0.9
137.09642	1.2
143.03439	0.7
149.04501	0.5
153.09167	0.5
157.40620	0.3
159.04443	1.1
161.04512	1.2
161.09682	0.4
163.07553	0.4
164.18147	0.3
171.04494	0.3
172.05211	0.6
173.05983	0.5
175.02513	0.6
179.05486	0.6
179.10741	1.0
180.05682	0.4
181.06610	0.7
181.08594	0.7
183.04573	0.4
187.03700	0.3
188.04675	0.5
189.05505	0.6
195.04457	0.3
196.05284	0.5
197.11841	0.6
201.05544	0.7
207.04909	0.3
213.05446	0.5
216.04195	0.3
217.84222	0.3
224.04761	0.7
225.05457	0.6
225.15015	0.3
227.16577	0.3
231.05096	0.4
239.03496	1.4
240.04272	0.7
241.05083	1.3
241.10739	0.3
243.03058	0.4
244.03769	0.8
247.84616	0.3
249.06194	2.8
253.05168	0.4
255.06636	0.7
267.03000	1.5
267.07202	1.8
268.01587	0.5
268.03815	16.7
269.04599	66.1
270.04935	5.1
281.08307	0.4
285.07794	1.4
287.09357	0.3
295.09851	0.8
299.09348	0.8
311.05551	0.9
311.09341	0.9
313.10864	0.9
314.11209	0.4
315.14371	0.6
326.11655	1.1
329.10272	0.6
341.13873	1.3
341.79681	0.3
344.12811	3.8
359.15067	9.9
360.15240	0.8
369.19110	0.3
370.19446	0.6
371.20694	1.4
389.21771	1.8
429.17947	0.3
431.09949	20.3
431.22800	7.4
432.10129	2.3
432.23047	0.4
447.12952	0.8
449.24084	0.6
473.17096	0.7
491.18253	27.3
492.18967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3596
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
59.01271	3.3
61.98709	1.2
69.27563	3.3
69.27975	0.8
71.01281	0.6
76.38641	0.4
78.95802	1.0
149.68396	0.3
152.99519	0.6
198.51897	0.4
207.17595	0.8
235.17006	0.5
237.18610	1.0
251.16597	1.5
253.18188	1.9
265.49252	0.4
339.90488	0.4
411.32819	2.5
445.37488	0.5
489.36032	100.0
490.36404	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	489.3612
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01272	8.0
61.98717	2.4
62.40889	0.9
89.02327	1.0
98.19751	2.0
103.82882	1.0
116.21558	0.8
132.70988	0.9
139.11229	1.4
154.12869	0.8
188.95529	0.9
195.17638	0.9
208.31236	0.8
223.17065	2.9
265.18082	6.5
267.19751	5.9
303.75885	0.9
354.61523	1.0
417.37524	1.4
445.37140	2.2
458.70953	0.8
471.35281	1.1
489.36102	100.0
490.36481	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	490.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20901	0.1
57.69233	0.1
58.00491	0.2
59.01264	9.9
60.01600	0.8
61.01688	0.4
61.98717	100.0
62.31507	0.1
62.98409	0.1
63.40440	0.1
67.14004	0.1
69.03343	0.2
71.01268	3.0
71.62081	0.2
72.01609	0.5
72.99204	0.2
73.01699	0.4
73.02829	0.4
75.00779	0.1
81.03365	0.1
83.01275	0.2
85.02847	0.4
87.00776	0.1
89.02335	2.7
90.02657	0.8
91.02738	0.6
92.03135	0.1
95.01312	0.1
97.02866	0.3
98.03178	0.1
101.02351	0.7
102.02686	0.2
109.02888	0.1
113.02332	0.5
114.02670	0.1
115.02802	0.1
119.03436	0.1
123.04458	0.1
125.02369	0.9
126.02728	0.4
127.02769	0.2
131.03426	0.5
132.03769	0.2
133.03920	0.2
133.06516	1.0
134.06847	0.6
135.04413	0.1
135.07158	0.1
143.03403	0.1
149.04488	0.6
150.04852	0.3
151.05000	0.4
153.01952	0.1
161.04535	0.2
167.25893	0.1
191.05602	0.1
204.31610	0.1
255.03157	0.1
285.03769	0.3
286.04562	0.2
293.08832	0.4
294.09216	0.6
295.09314	1.1
296.09592	0.8
459.58902	0.1
490.10693	0.2
491.11038	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3601
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01267	5.0
61.98724	2.2
62.19690	0.7
66.36803	0.6
71.01275	0.8
71.62764	0.9
73.37167	0.6
74.17879	0.6
74.47280	0.8
78.95810	2.2
89.02352	0.7
114.31776	0.6
124.78783	0.6
146.37045	0.6
152.99562	3.8
165.05490	0.6
173.06061	0.7
205.15956	1.0
207.17552	10.5
209.19060	0.8
219.97952	0.7
221.15462	1.0
235.17123	1.6
237.18629	17.7
238.18974	1.3
239.16615	2.2
243.17462	1.0
251.16586	5.0
253.18164	4.3
288.09958	0.7
303.28720	0.7
306.08243	0.7
332.63739	0.6
341.17471	0.6
389.50946	0.7
401.30600	1.0
411.33029	0.7
431.22040	0.8
443.35748	0.9
445.29984	2.1
445.37024	2.0
471.35095	0.8
489.36090	100.0
490.36389	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	489.3601
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
58.00476	1.3
59.01272	6.4
59.14468	0.5
60.99192	0.7
61.98721	1.3
71.01296	0.7
71.04937	0.6
71.62566	0.6
75.00776	3.8
85.02879	0.5
89.02378	0.5
93.83278	0.4
94.20766	0.5
96.95922	0.6
111.08089	0.6
124.93865	0.5
137.09669	1.2
139.11227	3.9
141.24150	0.5
150.22212	0.5
179.14389	1.0
189.05679	0.7
190.06334	0.5
191.14412	0.5
193.16034	3.4
265.18112	0.6
291.16254	0.6
292.16354	0.5
384.89999	0.6
391.30399	1.2
397.31619	0.6
407.33307	5.8
408.33691	1.0
409.31204	0.9
411.33072	1.9
413.34329	5.4
414.35187	1.2
423.32892	0.6
425.34631	1.3
427.31531	2.9
427.36902	1.1
428.36716	0.7
434.68271	0.5
441.33881	1.5
443.35541	4.2
445.32523	1.6
445.38211	4.7
446.37500	0.9
453.33905	2.6
457.33722	0.5
471.35385	11.9
472.35495	2.2
489.36203	100.0
490.36667	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	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	0.9
61.95261	0.2
61.98723	0.2
67.01323	0.2
69.32296	0.5
69.32725	1.1
71.01266	1.6
73.02837	0.3
83.01304	0.4
85.02855	0.4
86.93884	0.2
89.02351	0.6
101.02351	0.7
113.02381	0.5
136.78789	0.2
148.14445	0.1
151.00330	0.5
153.01872	1.3
161.04556	0.2
163.00337	0.3
176.66234	0.2
181.01451	0.3
182.67336	0.1
185.62270	0.1
204.69931	0.2
209.11787	0.2
224.34450	0.1
227.03517	2.5
227.05745	0.2
228.03896	0.3
229.05141	0.3
255.03011	4.7
256.03543	0.5
257.04660	0.2
260.41531	0.1
284.03333	7.0
285.04028	2.7
387.20499	0.6
429.21219	0.8
447.09567	0.2
461.12982	0.5
489.10538	4.4
489.23761	0.6
490.10883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3235
Annotation	Homaline
Peak:m/z	Relative Intensity
56.08744	0.5
57.61688	0.6
59.01269	7.3
59.22067	0.5
61.98719	2.5
65.28017	0.5
71.01285	0.9
73.02849	0.8
81.73461	0.6
85.02879	0.6
85.77985	0.5
85.87008	0.5
87.04415	2.5
89.02392	1.0
95.72170	0.5
108.57928	0.5
114.99929	0.5
139.11255	1.2
191.14293	0.7
223.17111	0.9
229.53354	0.5
243.47537	0.5
265.18106	1.3
267.19717	1.3
271.20737	0.8
289.21829	0.9
301.25540	0.6
311.20090	0.9
327.23322	0.9
355.29797	0.8
367.30078	1.7
369.27896	1.0
371.29514	1.1
383.33350	4.4
385.31314	5.3
386.31409	0.7
409.31229	3.4
411.28705	0.8
427.32120	2.1
429.29962	0.9
445.33282	12.5
446.33704	2.1
471.24423	1.3
471.31238	32.4
472.31644	5.4
489.31827	100.0
490.32266	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	489.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01606	0.9
61.98712	1.1
70.96308	0.5
71.01276	2.0
72.99210	0.3
73.02836	0.8
75.00765	0.2
77.38733	0.2
77.50253	0.2
83.01276	0.4
83.13364	0.2
85.02853	0.9
85.67464	0.2
87.00803	0.3
88.98687	0.5
89.02357	1.0
99.00809	0.2
101.02359	1.2
113.02351	1.1
161.04572	0.6
179.46831	0.2
223.17006	0.3
232.64998	0.2
263.17953	0.2
323.32233	0.2
341.07843	0.2
429.25165	0.2
429.97134	0.2
445.24579	1.0
482.49326	0.3
489.13925	0.5
489.20618	0.3
489.27313	0.6
489.33447	0.6
504.90741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07682	0.2
57.03346	0.6
59.01267	100.0
60.01611	1.0
61.98717	3.2
69.03322	0.3
69.79397	0.7
69.79808	0.4
71.01273	4.7
72.72754	0.2
72.99203	0.3
73.02846	2.3
75.00778	0.2
82.84263	0.2
83.01297	0.9
85.02843	2.1
87.00783	0.5
89.02332	2.2
95.01297	0.3
96.95921	0.5
97.02869	0.2
99.00784	0.3
99.04448	0.2
101.02348	3.8
103.03903	0.2
103.32699	0.2
108.08102	1.4
113.02367	2.4
119.03448	0.7
121.02868	0.8
123.08070	0.2
125.02377	0.3
129.01883	0.2
136.01611	0.6
138.06827	1.1
143.03433	0.4
149.04602	0.5
149.05978	0.2
151.04010	0.7
152.07146	0.9
153.01837	0.2
153.09163	4.5
159.02962	0.2
161.04501	2.2
166.08717	0.2
179.05667	0.2
196.06183	1.3
205.52345	0.2
207.13919	0.4
225.14980	10.2
226.15329	0.8
263.07312	0.4
265.46884	0.2
279.06812	0.4
280.07269	0.3
295.10010	0.7
297.13657	0.6
320.03522	0.2
325.10767	1.1
327.12433	1.6
369.19305	3.3
370.19769	0.5
377.32886	0.2
387.20294	2.7
388.20883	0.3
403.23544	0.4
429.21469	10.1
430.21820	1.4
447.22668	0.2
489.11969	0.2
489.17673	0.4
489.23572	6.0
489.30017	0.4
490.16235	0.9
490.24301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.7
59.01267	24.6
61.98716	7.1
71.01254	2.8
71.60952	2.8
83.04925	2.7
85.06430	1.9
87.04431	2.6
89.02345	4.7
96.95946	2.7
98.62718	2.1
101.02335	2.5
102.62759	1.9
115.05429	2.4
117.03388	10.4
120.86050	2.2
130.04185	2.2
131.04990	4.8
132.62250	2.0
135.04478	2.1
145.02893	12.3
146.03691	12.5
147.04431	5.6
149.06009	13.9
158.03673	8.0
159.04466	34.0
160.05174	3.3
172.05324	12.1
173.05960	5.4
183.04494	9.6
184.83743	2.0
185.06081	10.4
187.03975	65.3
188.04602	6.4
189.05522	3.3
195.08150	2.2
197.05939	2.3
199.04008	20.1
200.04768	6.9
201.05527	39.2
211.04028	5.3
215.03410	1.9
215.07179	2.5
216.04317	7.4
223.07722	7.2
223.16997	2.2
224.04793	2.6
225.05634	4.6
225.09145	3.8
226.06337	3.3
229.04953	3.2
239.07140	5.0
241.08711	35.1
242.09039	2.2
245.04587	3.8
249.05719	2.9
251.07182	5.3
260.06964	17.9
261.07660	2.5
269.08167	5.2
283.09796	3.9
284.10312	3.1
299.09503	9.8
301.10895	100.0
302.11240	9.7
303.06799	2.2
315.10233	2.2
320.06903	3.6
329.08185	2.2
330.09100	3.3
341.08221	3.5
342.09030	3.2
343.09845	12.5
344.10519	3.8
345.11322	4.4
346.08466	4.4
347.09464	2.3
361.10818	30.3
362.11252	2.6
369.07385	2.9
371.09372	7.6
372.10062	4.7
385.14523	2.3
389.10355	14.3
390.10773	2.9
399.08823	5.8
401.10229	4.4
402.40134	2.3
404.13095	2.7
405.49072	2.3
407.07822	6.0
411.12473	2.5
413.14313	3.2
416.09128	6.8
419.11261	2.3
420.12381	13.5
427.32489	2.5
429.13474	2.2
433.09674	2.4
433.16299	11.0
445.16290	3.5
448.11740	69.8
449.12061	7.4
457.13046	2.9
471.14172	3.4
488.34720	4.7
489.15775	7.1
489.32214	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	489.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88530	0.4
57.03344	0.6
59.01265	16.7
61.98732	1.3
69.95815	2.5
71.01270	5.7
72.99195	1.1
73.02851	1.3
75.00772	3.5
83.04934	0.6
85.02840	4.0
87.00787	1.6
89.02360	1.4
95.01297	0.8
99.00807	1.7
101.02363	1.7
106.04173	0.7
113.02364	4.4
117.01810	0.6
134.22768	0.5
149.05952	0.5
161.04358	0.6
177.12885	2.1
181.06580	1.7
195.13892	7.0
197.06052	1.0
197.11815	1.7
198.06812	1.0
199.13457	0.7
203.10744	1.6
221.11832	1.0
223.09810	0.5
225.05571	40.4
226.06203	8.5
239.12910	0.7
241.08725	100.0
242.09056	8.8
249.06178	3.0
255.02888	0.5
267.07281	5.3
309.20959	0.7
313.16718	0.6
327.21823	6.8
385.12842	1.4
403.14185	1.1
445.15021	1.8
447.26233	0.5
459.18237	1.2
471.18906	0.7
489.19891	20.9
489.26883	1.7
490.20599	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	489.1067
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03331	0.4
59.01265	51.1
60.01609	0.6
61.01696	0.3
61.98717	5.1
63.02296	0.3
63.29677	0.2
65.00218	0.4
69.03349	0.2
70.24474	1.0
71.01267	4.8
72.01629	0.4
72.99203	0.8
73.02837	2.3
75.00779	0.4
79.65007	0.2
83.01291	1.0
85.02838	1.4
86.58032	0.2
87.00780	0.3
89.02335	2.9
90.02680	0.5
91.01791	0.2
93.03362	0.8
93.04732	0.2
95.01279	0.2
96.95920	0.7
97.02859	0.3
97.03503	0.2
98.19888	0.3
98.20425	0.3
99.00813	0.3
101.02342	3.0
107.01277	1.5
109.02857	0.4
113.02358	2.6
119.03428	0.6
119.04951	0.2
125.02370	1.2
128.09323	0.2
129.01822	0.3
129.12776	0.2
131.03432	0.9
132.02066	1.5
133.02980	0.2
133.06511	0.9
134.06827	0.4
135.00826	1.4
135.04454	0.2
137.09662	0.3
143.03419	0.4
143.05043	0.4
149.04520	1.4
151.00302	1.9
153.01901	0.6
159.04440	0.5
161.04535	1.2
163.00320	1.5
164.01129	0.6
165.01918	0.4
169.01381	0.3
169.06566	0.4
171.04480	0.3
175.02455	0.3
178.99799	0.3
180.04283	0.4
183.04495	1.0
185.02435	0.5
185.06117	0.8
187.03963	0.8
189.05528	0.4
190.99960	0.3
191.05640	0.2
195.06654	0.6
197.06088	0.3
199.03998	0.5
200.04771	0.4
206.38074	0.3
211.03986	2.1
213.05597	0.7
221.06749	0.3
227.03496	35.3
228.03873	2.7
229.05048	4.5
230.05429	0.4
239.03598	1.2
241.05020	1.0
249.66481	0.2
255.03023	66.5
256.03546	8.6
257.04556	3.6
267.12369	0.3
267.15967	0.6
269.04608	0.3
283.02695	1.3
283.09869	0.3
283.19348	0.2
284.03317	100.0
285.04041	49.0
286.04428	3.4
293.08856	0.8
294.09219	0.7
295.09335	1.0
327.05304	0.9
327.18320	0.3
369.19232	0.6
387.20193	0.4
429.08398	2.9
429.21143	1.2
430.08640	0.3
447.09357	2.0
489.10471	57.5
490.10846	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	489.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01265	51.1
60.01609	0.6
61.01696	0.3
61.98717	5.1
63.02296	0.3
63.29677	0.2
65.00218	0.4
69.03349	0.2
70.24474	1.0
71.01267	4.8
72.01629	0.4
72.99203	0.8
73.02837	2.3
75.00779	0.4
79.65007	0.2
83.01291	1.0
85.02838	1.4
86.58032	0.2
87.00780	0.3
89.02335	2.9
90.02680	0.5
91.01791	0.2
93.03362	0.8
93.04732	0.2
95.01279	0.2
96.95920	0.7
97.02859	0.3
97.03503	0.2
98.19888	0.3
98.20425	0.3
99.00813	0.3
101.02342	3.0
107.01277	1.5
109.02857	0.4
113.02358	2.6
119.03428	0.6
119.04951	0.2
125.02370	1.2
128.09323	0.2
129.01822	0.3
129.12776	0.2
131.03432	0.9
132.02066	1.5
133.02980	0.2
133.06511	0.9
134.06827	0.4
135.00826	1.4
135.04454	0.2
137.09662	0.3
143.03419	0.4
143.05043	0.4
149.04520	1.4
151.00302	1.9
153.01901	0.6
159.04440	0.5
161.04535	1.2
163.00320	1.5
164.01129	0.6
165.01918	0.4
169.01381	0.3
169.06566	0.4
171.04480	0.3
175.02455	0.3
178.99799	0.3
180.04283	0.4
183.04495	1.0
185.02435	0.5
185.06117	0.8
187.03963	0.8
189.05528	0.4
190.99960	0.3
191.05640	0.2
195.06654	0.6
197.06088	0.3
199.03998	0.5
200.04771	0.4
206.38074	0.3
211.03986	2.1
213.05597	0.7
221.06749	0.3
227.03496	35.3
228.03873	2.7
229.05048	4.5
230.05429	0.4
239.03598	1.2
241.05020	1.0
249.66481	0.2
255.03023	66.5
256.03546	8.6
257.04556	3.6
267.12369	0.3
267.15967	0.6
269.04608	0.3
283.02695	1.3
283.09869	0.3
283.19348	0.2
284.03317	100.0
285.04041	49.0
286.04428	3.4
293.08856	0.8
294.09219	0.7
295.09335	1.0
327.05304	0.9
327.18320	0.3
369.19232	0.6
387.20193	0.4
429.08398	2.9
429.21143	1.2
430.08640	0.3
447.09357	2.0
489.10471	57.5
490.10846	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	488.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29929	0.9
57.03332	1.9
58.13161	0.8
59.01266	73.7
59.74890	0.8
61.98719	26.0
69.03328	0.8
71.00906	1.3
71.01272	23.5
71.58582	0.8
71.59027	1.2
72.99184	2.7
73.02824	5.2
74.24544	0.9
75.00741	1.1
78.95785	1.8
83.01288	2.4
85.02860	7.8
86.88840	0.8
87.00782	3.9
89.02341	19.0
94.02882	4.8
95.01273	2.4
96.95908	20.5
96.96873	2.8
97.40625	0.8
98.02378	100.0
98.95512	2.2
99.00784	5.0
99.01892	6.0
99.02675	1.1
101.02342	13.6
102.01859	1.1
106.45632	0.8
109.02846	1.9
110.02376	5.0
111.00771	4.7
113.01749	0.9
113.02365	9.8
119.03411	6.9
122.02355	2.2
125.02343	1.4
129.01845	1.5
131.03403	1.9
133.02888	1.4
134.02393	1.1
134.03610	1.3
136.03973	1.7
137.02357	2.2
139.07556	1.5
140.03476	1.3
141.09109	3.1
143.03410	3.0
149.04468	2.0
153.09132	3.9
159.02911	2.4
161.04532	7.5
164.03439	2.5
175.02306	1.1
175.03969	1.3
177.09221	0.9
179.05598	6.2
182.04660	1.2
190.02611	0.9
225.14920	0.9
227.16428	1.9
230.15483	1.6
237.95526	0.9
248.16605	2.3
249.09804	1.2
266.17651	24.7
267.18130	1.6
353.07309	1.0
357.15643	2.3
369.05887	1.9
428.22943	12.6
429.08295	1.3
429.21655	3.9
489.10672	3.6
489.19290	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	488.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83307	0.7
55.01773	1.8
57.03340	5.0
58.00470	1.2
59.01266	100.0
60.01601	1.8
61.98711	2.9
68.01303	5.6
69.03340	1.7
69.69902	0.7
71.01269	25.6
71.04903	2.9
71.63267	1.4
72.01616	1.9
72.99194	1.7
73.02834	6.7
75.00771	0.9
81.03372	1.3
82.02902	0.8
83.01278	7.1
85.02845	14.2
87.00767	3.0
89.02342	7.2
90.02644	1.0
93.03373	2.8
95.01296	2.9
97.02864	1.8
99.00765	2.2
101.02336	13.1
102.02680	1.3
106.64435	0.9
110.02386	4.3
111.00793	1.8
113.02357	16.2
114.02705	1.7
119.03410	1.3
121.02887	2.5
125.02396	4.5
131.03435	1.7
133.06482	1.3
136.53934	0.8
143.03415	3.4
149.04538	1.5
159.02919	0.9
161.04468	7.4
178.13956	0.8
181.06616	1.0
203.05566	5.4
223.06421	1.8
225.05606	0.8
227.07175	6.7
230.06689	10.4
239.07170	6.8
240.07449	0.8
250.08743	2.5
281.08243	1.1
293.08945	2.3
294.09317	2.0
295.26669	0.8
313.27362	0.9
314.27747	0.9
325.27634	1.5
341.27072	0.9
343.28531	7.2
344.29181	3.7
368.11478	1.6
381.04974	0.9
385.29599	1.2
386.29999	1.4
429.24756	2.8
469.31592	0.8
471.26215	1.6
487.32959	16.5
488.26498	1.4
488.33237	18.5
489.14389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.2
58.00489	1.5
59.01268	88.0
60.01602	1.8
61.98716	5.0
65.99744	2.3
69.47277	12.7
71.01266	13.3
73.02834	5.6
75.00765	2.1
81.03339	4.2
83.01290	3.7
83.04914	1.9
85.02847	4.6
87.00794	3.3
88.74870	1.7
89.02337	10.1
93.03388	4.5
95.01276	4.2
96.95931	2.7
97.02860	2.9
97.33467	1.6
98.20502	3.2
99.00821	2.0
99.27778	1.4
101.02333	10.9
106.06532	2.3
107.01309	2.7
109.02864	4.6
113.02380	5.5
117.03371	9.2
119.03370	2.1
121.02889	5.9
122.02393	4.7
123.00807	2.4
123.04448	6.8
125.02391	9.9
131.03415	2.5
132.04526	2.0
133.02875	6.2
134.02415	3.6
135.00764	2.4
135.04457	14.3
136.01561	1.6
137.02373	7.7
138.03139	3.5
139.03915	2.2
147.04501	3.2
148.03963	2.0
149.02373	4.4
149.04568	1.9
150.05571	2.4
151.00291	2.5
151.03906	9.0
152.01033	1.6
153.01857	3.0
156.04491	1.7
160.03984	3.3
161.02473	7.6
161.04517	4.5
162.01883	1.7
163.00322	5.7
163.02661	4.8
163.03946	4.8
164.03375	1.9
165.01913	10.2
166.02629	6.9
167.03450	9.6
173.02422	1.7
175.03972	1.7
176.03494	7.0
177.01878	4.5
178.05109	2.7
179.03474	29.2
188.03517	4.0
191.03447	4.3
192.00642	1.9
193.01422	6.6
194.02129	2.4
197.04533	2.2
203.03439	1.5
205.01361	2.4
206.02615	1.1
206.04561	34.9
207.03018	3.3
207.04874	2.5
216.06549	2.4
219.03001	2.8
223.13365	1.9
225.15068	3.1
227.06859	1.7
235.02515	3.2
236.05652	2.4
237.05473	1.7
248.05676	6.0
249.05963	1.5
253.05179	3.7
254.05901	1.6
257.04642	2.9
258.07690	3.2
267.06625	2.7
269.04617	4.6
269.07809	1.7
271.06207	4.8
278.06952	1.7
281.04657	7.4
282.05435	8.3
283.06219	20.6
284.03247	5.8
284.06046	3.8
285.03995	7.8
293.04504	2.6
295.06180	7.5
297.04163	12.8
298.04520	2.6
298.07443	3.3
299.05649	12.8
301.06909	2.2
308.05173	1.9
310.04761	3.2
311.05649	28.3
312.06030	2.7
313.07199	2.5
314.04480	3.7
320.05624	2.6
322.07269	3.3
323.05637	6.0
325.07153	2.3
326.09048	40.6
327.05200	41.0
327.09030	3.0
328.05603	4.1
340.08356	16.1
341.06512	7.4
341.14081	2.1
350.06775	20.0
351.06900	1.8
354.01236	1.7
357.06213	10.9
357.09909	2.6
368.07831	100.0
369.08185	13.6
369.19336	2.2
370.09216	5.6
380.07935	7.4
384.29874	1.5
398.08871	28.2
399.09412	1.9
410.09113	2.0
410.16644	1.7
429.21442	5.8
431.09924	27.6
432.10522	4.1
447.09406	11.4
470.10992	12.8
471.11050	3.1
486.57245	1.7
488.12125	96.0
489.12347	13.4
489.18973	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3444
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.15311	0.3
55.22675	0.4
56.23423	0.4
57.03341	0.6
57.29152	0.3
59.01264	8.3
61.98717	0.9
63.47758	0.4
69.03340	0.7
69.77724	2.6
70.94936	0.3
71.01273	6.9
73.02833	0.7
81.03352	0.6
83.01347	0.4
83.04922	0.5
85.02857	1.6
89.02340	7.8
95.04952	0.4
96.95929	0.5
97.02847	0.8
97.06493	0.4
101.02367	1.3
113.02361	0.5
125.02394	2.5
131.03473	1.9
133.06512	4.2
149.04514	3.0
158.60773	0.4
173.74313	0.4
191.05605	0.7
191.14384	0.4
205.16011	0.6
216.51939	0.4
219.13919	0.7
233.06628	0.5
233.15486	12.9
234.16016	1.9
235.17064	8.1
236.17590	0.5
251.16629	2.2
251.20337	0.5
253.18135	13.1
253.20699	0.8
254.18419	1.0
266.15356	1.5
293.08841	7.8
294.09439	0.4
337.21811	0.6
339.23489	0.9
341.25058	0.6
357.28119	2.6
425.34573	0.9
427.31735	0.4
443.35544	13.8
444.35953	2.4
469.33304	1.2
487.34549	100.0
488.34915	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	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01049	0.2
59.01263	2.1
71.01268	2.2
71.33006	0.2
71.33339	0.3
73.02834	0.2
85.02829	0.4
89.02322	2.0
95.04929	0.5
97.02873	0.2
100.00481	0.2
101.02328	0.4
101.87684	0.2
111.72425	0.2
113.02361	0.4
123.08083	1.4
125.02365	0.9
131.03421	0.4
133.06496	0.9
135.08073	0.8
137.09651	0.4
140.63501	0.2
148.96535	0.2
149.04517	1.0
173.09590	0.2
184.39902	0.2
189.12834	1.2
191.05632	0.2
205.15965	0.7
207.17667	0.2
217.12302	0.7
259.20755	0.7
264.69751	0.3
273.22256	1.1
274.22586	0.4
293.08810	1.5
294.09424	0.2
377.24908	3.0
378.25281	0.5
383.33240	4.2
384.33643	0.6
391.29999	0.4
393.28088	5.7
394.28314	1.0
399.36481	1.2
400.37347	0.2
409.31213	10.3
410.24741	3.4
410.31543	2.0
411.25031	0.6
425.34351	18.5
426.34650	3.6
428.53574	0.2
443.35397	6.9
444.35916	1.1
469.33282	4.2
470.33652	0.9
487.34387	100.0
488.34735	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	487.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.6
65.22108	0.2
71.01270	2.7
71.17397	0.5
73.02842	0.3
85.02856	0.3
87.00768	0.2
89.02333	2.6
97.02901	0.4
101.02357	0.6
113.02338	0.4
115.04603	0.2
123.08076	0.9
125.02377	1.1
129.47220	0.2
131.03447	0.6
133.06537	1.7
135.08109	0.9
149.04536	1.0
173.20209	0.2
175.11243	0.5
191.05617	0.3
223.17056	0.3
233.06648	0.2
233.19104	0.4
259.20688	0.4
273.22430	0.6
289.25497	0.3
293.08838	2.5
309.04153	0.2
377.24902	2.7
378.25540	0.7
383.33255	8.8
384.33694	1.5
391.30124	0.3
393.28070	4.6
394.28433	0.6
399.36395	0.8
409.31186	13.6
410.24713	3.4
410.31387	1.6
411.25085	0.6
425.34338	24.9
426.34683	4.1
443.35425	6.4
444.35776	0.9
449.13593	0.2
469.33322	2.8
470.33746	0.5
487.34421	100.0
488.34756	18.2
488.45139	0.3
498.81223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95190	0.2
54.41653	0.2
55.21894	0.2
58.00470	0.2
59.01262	5.1
60.99176	0.3
63.99934	0.2
69.03332	0.4
69.52316	2.1
71.01270	4.6
71.04912	0.6
73.02837	0.6
85.02844	0.9
85.06454	0.3
87.00737	0.3
89.02332	4.7
95.01324	0.3
97.02876	0.4
97.06487	0.4
98.19905	0.4
101.02350	1.0
113.02377	0.7
125.02347	1.5
131.03424	1.1
133.06509	2.7
139.11194	0.3
149.04456	1.4
191.05600	0.5
193.15974	0.8
202.99071	0.2
203.14555	0.3
219.14014	0.5
221.15504	1.5
233.06555	0.4
237.15010	0.5
237.18564	0.3
249.14984	30.0
250.15373	2.3
251.16586	0.4
293.08890	3.8
344.63110	0.3
425.34460	0.3
443.35504	5.3
444.35791	0.8
469.33295	0.9
487.34418	100.0
488.34753	15.7
488.41959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.344
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.95190	0.2
54.41653	0.2
55.21894	0.2
58.00470	0.2
59.01262	5.1
60.99176	0.3
63.99934	0.2
69.03332	0.4
69.52316	2.1
71.01270	4.6
71.04912	0.6
73.02837	0.6
85.02844	0.9
85.06454	0.3
87.00737	0.3
89.02332	4.7
95.01324	0.3
97.02876	0.4
97.06487	0.4
98.19905	0.4
101.02350	1.0
113.02377	0.7
125.02347	1.5
131.03424	1.1
133.06509	2.7
139.11194	0.3
149.04456	1.4
191.05600	0.5
193.15974	0.8
202.99071	0.2
203.14555	0.3
219.14014	0.5
221.15504	1.5
233.06555	0.4
237.15010	0.5
237.18564	0.3
249.14984	30.0
250.15373	2.3
251.16586	0.4
293.08890	3.8
344.63110	0.3
425.34460	0.3
443.35504	5.3
444.35791	0.8
469.33295	0.9
487.34418	100.0
488.34753	15.7
488.41959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.1
58.00497	0.7
59.01266	100.0
60.01606	1.0
61.98713	1.7
68.86259	0.5
69.03349	2.0
71.01270	27.5
71.60862	0.8
72.99221	1.1
73.02840	4.4
75.00768	0.9
81.03365	1.5
83.01299	1.5
85.02843	6.1
87.00788	1.5
88.19073	0.4
89.02338	21.1
91.58671	0.5
95.01320	1.4
95.04909	0.9
96.95917	3.4
97.02865	2.6
99.00790	1.4
101.02340	7.3
113.02346	6.0
119.03430	1.9
120.79397	0.4
123.04461	1.3
123.08083	0.6
125.02383	8.0
125.70426	0.6
126.02680	0.6
131.03438	5.5
132.05832	0.6
133.06520	11.7
134.06886	0.5
135.08130	0.7
139.03873	0.5
147.08133	1.4
149.02573	0.5
149.04500	9.9
149.09708	1.0
151.11256	0.8
161.04509	1.4
161.09679	0.6
163.07578	0.7
163.11229	3.1
165.12782	0.5
179.10738	24.6
180.11134	1.6
181.12300	6.0
187.11308	1.9
189.09222	0.7
189.12927	0.6
190.09993	1.3
191.05620	2.2
203.10854	0.5
205.12323	14.8
206.12708	1.2
223.13428	2.3
233.06700	1.5
293.08850	21.2
293.12131	1.0
294.09369	1.4
314.24344	0.5
323.14890	0.6
349.16809	1.4
367.17807	1.6
383.17264	1.4
416.88223	0.7
427.19931	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	487.3441
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
57.03348	0.6
59.01266	7.6
59.98413	0.5
61.98716	1.1
71.01264	7.0
71.04938	0.7
71.56631	0.7
72.99229	0.9
73.02841	0.6
83.04934	1.8
85.02853	1.2
87.04449	0.6
89.02337	6.7
90.65238	0.4
95.09365	0.5
96.95894	0.5
97.02878	0.6
97.06489	0.9
99.08124	0.4
101.02375	1.4
113.02375	1.9
125.02348	2.5
131.03438	1.3
133.06505	4.1
143.24153	0.5
149.04465	2.3
149.09535	0.5
163.11147	0.5
172.55888	0.4
177.12848	0.8
191.05655	0.7
191.14449	1.6
193.15953	7.1
193.58167	0.5
194.16463	0.7
199.41028	0.4
202.72409	0.5
205.16005	0.9
208.07320	0.4
221.15559	1.2
223.17049	0.8
233.06636	0.6
233.15564	0.9
247.17104	0.6
249.18660	6.4
250.19136	0.8
253.18028	0.6
261.18588	1.1
265.18134	7.7
266.18619	0.7
267.19739	0.9
289.18393	0.5
293.08865	6.0
296.94711	0.4
301.22037	0.7
303.27213	0.5
360.39395	0.5
367.89532	0.5
395.33228	0.9
411.33197	0.5
423.33060	1.0
425.34644	7.0
426.34720	1.1
443.35889	0.9
451.32428	1.7
469.33511	8.1
470.33984	0.7
487.34573	100.0
488.34958	16.7
513.89398	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	487.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61842	0.3
56.21746	0.3
57.03325	0.3
59.01261	9.1
61.98717	5.1
69.03337	0.4
69.56976	2.0
71.01265	5.7
73.02841	0.7
78.95791	0.8
79.95616	2.0
81.42261	0.3
83.01302	0.4
85.02828	1.5
87.00780	0.5
89.02337	4.7
92.41613	0.3
96.95908	100.0
97.02821	0.4
97.92995	0.3
98.20547	0.6
99.00798	0.3
101.02336	1.8
104.40554	0.3
113.02364	1.1
114.93306	0.5
119.03458	0.3
125.02386	1.9
127.24548	0.3
131.03421	1.2
133.06517	3.0
136.69263	0.3
149.04550	1.6
161.04605	0.4
165.12778	0.3
183.13823	1.3
191.05611	0.7
201.76231	0.3
206.99896	0.3
227.12860	2.0
233.06740	0.3
293.08859	4.7
325.09988	0.4
389.18088	0.5
419.66019	0.4
427.23721	0.6
487.18451	0.6
487.26050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42526	0.5
57.03335	1.3
58.00471	0.6
58.02863	0.8
59.01264	100.0
60.01602	1.4
61.98728	2.7
66.75679	0.5
69.49115	4.0
71.01266	13.5
72.99213	1.8
73.02831	4.5
75.00768	0.8
79.95661	0.7
83.01289	1.8
83.02415	1.0
85.02834	5.4
87.00783	2.9
89.02337	5.7
89.12192	0.6
90.02736	0.8
94.02885	0.7
95.01310	1.9
96.95916	11.5
96.96883	0.7
97.02842	0.7
98.02378	21.4
98.95509	11.8
98.96342	2.1
99.00832	4.0
99.01923	16.2
99.02715	3.9
100.01520	0.6
101.02338	7.5
102.01873	1.6
103.03913	0.7
109.02879	0.7
110.02404	1.1
111.00800	1.2
113.02353	9.7
117.05553	0.5
119.03440	1.9
121.02856	1.4
128.48940	0.5
131.03500	0.7
137.02428	1.2
137.09735	0.6
138.05760	0.6
138.06812	1.3
143.03423	1.0
144.12653	0.6
147.04517	0.7
149.02393	5.2
149.04562	0.6
149.06041	0.6
151.07545	3.0
152.08380	6.4
153.09148	13.5
159.02974	0.7
161.04506	4.3
164.04738	5.4
174.08224	0.5
179.05641	1.2
179.10838	0.8
190.02667	0.8
193.05052	1.5
205.12332	7.6
223.06091	4.8
223.13423	3.1
224.06473	0.7
249.06229	0.8
263.07877	1.8
264.16125	1.0
265.14297	1.1
281.08847	4.6
297.09534	0.7
367.17673	22.8
368.17822	2.7
385.18979	2.4
427.19839	10.3
428.20392	1.9
449.10358	1.2
450.10532	0.6
455.01428	0.6
487.14554	5.0
487.23825	0.7
488.14899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.6
59.01265	6.8
61.98715	1.2
69.95456	0.5
69.98785	0.6
70.29726	2.1
71.01273	10.6
72.99191	0.9
73.02837	4.1
73.48479	0.6
75.00760	1.6
78.43179	0.6
83.01276	2.6
83.02396	1.8
84.51074	0.6
85.02850	4.0
87.00768	1.0
89.02340	5.3
95.01275	1.0
96.95918	0.7
96.96914	0.6
97.02876	0.7
99.00778	1.5
101.02347	5.4
108.02083	4.1
110.89767	0.5
111.00795	13.0
113.02375	4.3
119.03419	1.3
119.04941	6.2
121.02880	1.2
123.04414	1.4
124.01620	0.7
129.01852	0.9
133.02859	0.9
134.03671	14.6
135.04448	1.6
136.05211	1.1
137.02429	0.8
148.01622	3.5
148.05226	2.7
149.04642	0.6
149.06012	13.5
153.05446	1.1
158.03676	1.1
159.02975	0.9
159.04347	0.9
160.01610	0.8
161.02370	1.2
161.04509	12.4
163.03969	8.2
163.07574	2.7
164.04674	1.4
175.03952	12.9
176.04752	18.6
177.05431	1.8
178.02739	1.5
179.03436	0.7
179.05609	0.9
187.03897	1.1
188.04742	1.8
189.01945	0.8
190.02682	1.3
191.03473	1.4
191.07115	25.7
192.07426	1.1
193.05069	2.7
195.06593	1.1
201.05559	1.1
203.03412	1.1
203.07161	1.0
204.04147	1.1
205.05028	1.7
207.06567	1.2
209.08058	0.8
218.05804	0.9
220.03802	2.9
221.04680	0.7
221.08305	1.3
230.05884	2.4
233.06496	1.1
235.06137	100.0
236.06487	7.5
245.08223	2.5
247.06058	1.7
253.07217	12.6
254.07851	0.9
259.06064	1.7
263.09262	1.0
265.07343	0.8
274.04904	0.7
283.50101	0.6
289.07245	9.7
290.07428	0.7
303.07196	0.8
307.08353	2.1
323.10159	0.6
325.09268	5.0
326.09732	0.8
397.11639	4.1
398.11740	0.8
427.12442	5.9
428.13016	0.9
468.30820	0.7
487.14288	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	487.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.6
59.01265	6.8
61.98715	1.2
69.95456	0.5
69.98785	0.6
70.29726	2.1
71.01273	10.6
72.99191	0.9
73.02837	4.1
73.48479	0.6
75.00760	1.6
78.43179	0.6
83.01276	2.6
83.02396	1.8
84.51074	0.6
85.02850	4.0
87.00768	1.0
89.02340	5.3
95.01275	1.0
96.95918	0.7
96.96914	0.6
97.02876	0.7
99.00778	1.5
101.02347	5.4
108.02083	4.1
110.89767	0.5
111.00795	13.0
113.02375	4.3
119.03419	1.3
119.04941	6.2
121.02880	1.2
123.04414	1.4
124.01620	0.7
129.01852	0.9
133.02859	0.9
134.03671	14.6
135.04448	1.6
136.05211	1.1
137.02429	0.8
148.01622	3.5
148.05226	2.7
149.04642	0.6
149.06012	13.5
153.05446	1.1
158.03676	1.1
159.02975	0.9
159.04347	0.9
160.01610	0.8
161.02370	1.2
161.04509	12.4
163.03969	8.2
163.07574	2.7
164.04674	1.4
175.03952	12.9
176.04752	18.6
177.05431	1.8
178.02739	1.5
179.03436	0.7
179.05609	0.9
187.03897	1.1
188.04742	1.8
189.01945	0.8
190.02682	1.3
191.03473	1.4
191.07115	25.7
192.07426	1.1
193.05069	2.7
195.06593	1.1
201.05559	1.1
203.03412	1.1
203.07161	1.0
204.04147	1.1
205.05028	1.7
207.06567	1.2
209.08058	0.8
218.05804	0.9
220.03802	2.9
221.04680	0.7
221.08305	1.3
230.05884	2.4
233.06496	1.1
235.06137	100.0
236.06487	7.5
245.08223	2.5
247.06058	1.7
253.07217	12.6
254.07851	0.9
259.06064	1.7
263.09262	1.0
265.07343	0.8
274.04904	0.7
283.50101	0.6
289.07245	9.7
290.07428	0.7
303.07196	0.8
307.08353	2.1
323.10159	0.6
325.09268	5.0
326.09732	0.8
397.11639	4.1
398.11740	0.8
427.12442	5.9
428.13016	0.9
468.30820	0.7
487.14288	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	487.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03336	1.7
59.00998	0.8
59.01269	10.2
62.11811	0.6
69.97558	3.9
71.01271	11.8
72.99206	0.8
73.02838	2.5
74.74361	0.6
75.00761	0.7
81.03326	0.8
83.01279	4.2
85.02850	4.5
87.00772	1.6
87.64002	0.7
89.02339	6.0
95.01289	1.0
96.54279	0.6
98.19743	0.6
99.00787	1.4
101.02357	4.3
108.02083	9.8
109.99998	3.1
111.00793	37.1
112.01136	0.9
113.02348	4.8
119.03412	2.4
119.04889	1.1
121.02864	1.5
123.04470	1.7
124.01608	0.8
133.02893	1.3
134.03667	20.0
135.04459	1.9
137.02364	1.3
148.01613	6.2
148.05244	7.4
149.02409	0.8
149.06018	12.6
153.05457	0.6
158.03654	1.0
159.02956	0.7
159.04439	1.9
160.01666	1.7
160.05206	0.6
161.02417	1.5
161.04527	7.2
161.05847	1.1
162.03116	1.2
163.03987	4.1
163.07571	5.5
164.04691	2.2
165.01868	0.7
173.05934	1.3
174.03203	1.9
174.06786	0.9
175.03972	18.4
176.04750	20.1
177.05408	1.3
178.02649	1.3
179.03467	0.7
179.05553	0.8
184.05223	0.9
186.03221	1.7
187.03989	3.6
188.04727	2.4
189.01892	3.4
189.05556	1.5
190.02628	2.8
191.03418	1.3
191.07120	21.2
192.04060	0.7
192.07521	0.6
193.05000	1.2
199.03987	0.9
200.04718	1.6
201.05566	5.7
202.02721	0.9
202.06290	1.4
203.03461	2.4
203.07213	1.3
204.04199	1.8
205.05000	2.7
207.06609	0.8
212.04799	1.1
213.05656	0.8
214.06354	0.8
215.03564	1.4
215.07083	0.8
217.05067	1.4
218.05748	1.2
219.06627	0.8
220.03801	4.8
221.04234	0.8
229.05064	1.5
230.05858	6.7
231.02992	1.2
231.06529	1.1
233.08234	2.0
235.06146	100.0
236.06453	6.1
244.03802	1.0
245.04546	1.3
245.08263	5.9
246.05380	1.5
259.06177	3.7
263.09302	4.7
274.05026	1.1
277.07175	1.6
289.04071	1.0
289.07278	18.9
290.07541	0.9
307.08426	1.2
377.80240	0.6
405.72931	0.6
420.10052	0.7
425.14813	1.6
445.26218	0.6
469.13773	1.7
487.14767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	7.2
57.03336	11.5
58.00475	2.8
59.01266	16.1
61.76052	0.8
70.38906	1.1
71.01266	14.8
71.14715	2.7
72.99195	1.8
73.02844	2.8
75.00751	1.7
83.01308	1.2
85.02837	10.9
87.00795	1.1
89.02341	7.7
91.01788	1.0
99.00762	1.3
101.02336	4.0
102.41472	0.9
108.02042	3.9
111.00814	5.8
113.02377	7.5
119.03429	1.6
119.04935	4.7
119.88885	1.0
122.03635	1.2
123.00787	1.8
123.04449	3.4
124.01581	1.8
134.03679	11.3
135.04526	4.9
145.02866	1.7
146.03639	2.3
147.04445	11.4
148.05240	100.0
149.06055	14.0
150.06718	4.0
158.03644	1.7
159.04445	7.7
160.01587	3.1
160.05215	4.7
161.02435	2.6
161.05997	6.2
162.03137	1.5
162.06772	3.0
163.03963	9.7
163.07593	96.9
164.04678	3.8
164.07919	4.6
170.03674	1.4
171.04439	2.0
173.05946	2.0
174.01765	1.3
174.03186	18.6
175.03958	13.2
176.04753	14.8
177.05524	5.7
178.06305	21.0
179.06993	3.8
186.03188	2.0
187.04024	5.9
188.04767	35.5
189.05522	9.6
190.02644	3.5
190.05975	1.3
191.03453	4.2
191.07083	12.5
192.07767	2.2
193.08682	7.2
201.05548	1.7
202.06297	3.2
203.03514	2.9
203.07066	6.5
204.07904	10.9
205.05046	4.5
205.08379	1.5
206.05800	13.8
215.03418	1.3
219.06703	1.7
219.10234	9.8
220.03793	1.4
220.10696	1.0
221.08197	57.7
222.08540	3.1
230.05829	3.2
235.06149	18.8
245.08276	9.4
246.08528	1.4
252.08195	1.1
263.09299	54.9
264.09561	4.2
265.07266	13.6
289.07147	1.9
307.08368	3.4
316.56085	1.2
319.43033	1.2
487.14520	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	486.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
59.01264	13.6
60.01614	0.6
61.98717	100.0
65.60205	0.2
69.29687	0.3
69.30006	2.8
71.01267	3.6
72.99223	0.3
73.02848	1.0
75.00782	0.3
82.78218	0.3
83.01270	0.4
85.02868	1.2
85.49597	0.2
87.00761	0.2
89.02326	1.9
96.95930	0.5
97.02837	0.4
99.00785	0.5
101.02339	1.6
113.02372	1.1
118.07716	0.2
125.02377	0.7
131.03468	0.7
133.06554	0.8
135.08090	0.8
149.04543	0.9
149.05862	0.3
161.04539	0.5
193.06537	1.8
264.71329	0.3
267.83792	0.2
291.17938	0.3
292.18671	0.6
293.08786	1.5
293.18564	0.3
294.19077	0.6
312.00604	0.2
325.97858	0.2
425.22894	0.3
426.22797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83228	0.9
55.01765	3.9
57.03337	5.4
59.01266	20.4
61.98706	2.6
69.60750	8.1
71.00904	1.7
71.01270	19.8
73.02833	4.1
73.05186	1.1
75.00785	1.6
83.01287	5.3
85.02850	8.1
87.00766	4.5
89.02345	12.8
91.70009	1.0
95.01246	1.3
97.02860	2.4
98.44073	1.0
99.00787	2.6
101.02351	9.6
108.02067	5.4
110.00015	1.7
111.00097	1.5
111.00797	19.9
111.64142	1.1
113.02376	12.3
119.03437	5.7
119.04936	6.3
121.02867	1.9
123.04420	2.3
129.01860	1.3
131.03363	1.7
132.02135	2.0
133.02786	1.6
134.03677	22.7
147.04376	3.0
148.01602	3.9
148.05237	40.1
148.56798	1.1
149.06029	17.1
150.03175	2.2
158.03664	1.7
159.04430	3.0
160.01625	8.7
161.02362	3.4
161.04515	6.2
161.05927	2.2
162.03191	1.6
162.06697	1.3
163.03967	13.5
163.07597	42.9
164.04663	2.7
164.07919	2.6
173.02469	1.3
173.06021	3.3
174.03163	6.3
174.06796	2.1
175.03970	30.7
176.04750	14.9
177.01952	1.3
177.05376	2.4
178.02567	1.6
179.03427	2.2
179.05643	2.4
179.07104	2.0
184.05254	1.1
186.03081	1.4
186.06717	1.5
187.03905	7.3
188.04709	7.0
189.05556	6.8
190.02707	2.6
190.06349	1.2
191.03465	2.7
191.05464	2.3
191.07103	23.1
192.04207	3.3
193.05048	3.9
199.90414	1.1
200.04749	2.9
201.05521	4.6
202.02707	1.9
202.06429	5.0
203.03487	6.6
203.07027	6.0
204.04167	1.4
204.07880	3.0
205.04996	3.7
206.05765	1.4
207.06618	2.3
212.04744	2.6
214.06383	3.1
215.07057	1.9
217.05072	4.1
218.05783	5.4
219.06647	1.2
219.10223	3.7
220.03757	4.3
221.08168	3.8
229.08684	4.2
230.05849	12.2
231.06596	2.3
233.08240	10.7
234.08566	1.6
235.06145	100.0
236.06505	7.4
244.07320	2.8
245.08217	24.1
246.08470	1.5
247.06108	3.1
249.07753	2.8
263.09296	32.7
264.09512	2.1
277.07214	10.0
278.07413	1.4
289.07306	9.3
290.07599	1.3
307.08261	12.6
390.23840	1.1
412.42386	1.1
425.14645	21.6
426.14978	1.9
427.12445	3.6
469.13678	19.1
470.13867	2.2
487.14957	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86594	0.2
54.39550	0.2
55.33769	0.2
57.03347	0.4
59.01269	8.1
60.01611	0.2
61.98719	100.0
69.55965	0.7
69.56390	1.1
71.01273	4.9
72.01619	0.3
72.99206	0.3
73.02837	0.9
75.00768	0.3
78.95788	0.3
79.95618	1.1
83.01273	0.8
85.02850	1.6
87.00742	0.6
89.02337	4.0
94.00505	0.2
95.01314	0.2
96.95915	53.9
97.02866	0.6
99.00781	0.4
99.97474	0.2
101.02332	1.7
102.02672	0.3
111.00797	0.3
113.02338	1.5
119.03423	0.2
125.02375	2.0
131.03394	0.9
133.06525	1.6
133.65805	0.3
135.04362	0.3
135.08047	0.4
136.04820	0.2
149.04486	1.3
161.04482	0.3
166.03984	0.3
183.13834	0.8
191.05495	0.6
227.12901	1.0
233.06625	0.3
251.08566	0.2
267.06851	0.3
291.18347	0.4
292.18445	1.1
293.08853	3.5
293.18549	0.5
294.18927	1.0
334.96237	0.2
426.23251	1.3
427.23041	0.3
436.44016	0.2
460.18741	0.2
470.76453	0.2
487.11465	0.3
509.26340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55066	0.1
57.03351	0.2
59.01264	6.4
60.01598	0.3
61.98717	100.0
62.98412	0.3
65.86381	0.2
69.03359	0.3
71.01271	3.2
71.55663	0.3
72.99224	0.2
73.02846	0.6
83.01291	0.3
85.02850	1.0
87.00782	0.3
89.02335	2.4
96.95922	0.2
97.02853	0.2
99.00790	0.2
101.02338	1.1
102.02715	0.2
106.70784	0.2
113.02368	1.0
119.03413	0.2
125.02357	0.9
130.08650	1.9
131.03453	0.5
133.06529	1.7
134.06848	0.4
137.02342	0.2
149.04480	0.9
161.04591	0.4
191.05605	0.3
233.06680	0.2
281.66873	0.2
292.18542	0.3
293.08829	2.3
293.18973	0.3
294.19104	0.3
295.26733	0.2
426.18423	0.2
426.23444	0.5
486.27417	1.2
487.26962	0.3
502.14774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3282
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.87773	0.2
52.89239	0.2
59.01261	0.6
61.98698	0.2
62.76480	0.2
70.29147	0.2
70.76977	0.6
71.04914	0.3
76.03605	0.2
82.52117	0.2
91.63618	0.2
97.06485	0.8
186.14458	0.3
205.15945	0.6
233.15479	6.6
233.17813	0.4
234.15756	0.7
251.16541	0.6
253.18185	1.2
293.89536	0.2
347.09296	0.2
357.62469	0.2
375.38480	0.2
423.32825	0.5
441.33960	0.9
467.31528	0.7
485.32837	100.0
486.33191	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	485.3283
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
53.62164	0.3
57.03325	1.0
59.01268	6.1
59.13095	0.3
81.03347	0.4
85.06448	0.3
91.08970	0.4
98.19757	0.7
121.01842	0.3
123.08079	2.2
135.08044	0.8
149.09645	1.0
152.36279	0.3
156.64487	0.3
163.65050	0.4
203.14417	1.2
212.40321	0.3
229.35225	0.4
231.17545	2.3
233.65527	0.4
284.81686	0.4
287.23889	3.1
335.24188	0.5
365.28571	5.1
366.28961	0.9
377.24942	0.6
381.31754	6.7
382.32031	0.7
397.34866	0.5
405.31607	0.9
407.29623	4.6
408.29922	0.8
423.26950	0.7
423.32785	14.0
424.33212	2.6
441.33914	4.1
442.34216	0.7
467.31738	4.2
485.32858	100.0
486.33194	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	486.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
58.82332	0.1
59.01263	5.9
60.01611	0.2
61.98716	100.0
62.17120	0.1
62.98429	0.2
69.03357	0.2
71.01266	2.8
72.01596	0.1
72.99213	0.2
73.02824	0.7
75.00781	0.2
77.34597	0.1
83.01279	0.4
85.02843	0.8
86.03186	0.2
87.00782	0.2
89.02339	2.1
95.01257	0.2
96.95945	0.2
97.02863	0.2
99.00774	0.2
101.02343	1.2
104.42744	0.1
108.04469	0.1
113.02363	1.0
114.02776	0.2
118.86043	0.1
119.03470	0.2
121.62405	0.1
125.02370	0.7
130.08687	0.7
131.03430	0.6
133.06505	1.5
133.41803	0.1
134.06908	0.2
137.02415	0.2
146.12248	0.1
149.04453	1.0
161.04500	0.3
173.93277	0.1
229.36436	0.2
229.38608	0.1
233.06761	0.2
291.18344	0.5
292.18552	0.3
293.08868	1.9
293.18820	0.6
294.18994	0.2
415.02158	0.2
423.10770	0.2
425.23221	0.5
426.18164	0.2
426.23346	0.6
448.20132	0.1
486.27402	0.5
487.18027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3284
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
54.39553	0.4
55.19741	0.4
59.01260	1.7
70.21780	1.0
70.22179	0.9
71.04901	0.5
83.04900	0.8
90.42717	0.4
90.80045	0.5
91.03889	0.4
115.82922	0.5
125.34013	0.5
144.90379	0.4
205.16016	0.5
233.15479	7.6
234.15871	0.9
235.16949	0.5
251.16628	1.2
253.18143	1.5
277.21716	0.7
285.18356	0.5
291.23383	0.9
423.33047	0.9
425.30624	1.1
439.32697	0.4
441.34259	2.9
442.34238	0.7
467.31430	0.7
485.32913	100.0
486.33258	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	485.3284
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
57.03334	0.9
59.01259	1.4
71.04920	0.8
85.06480	2.3
87.04431	0.6
88.03925	2.2
96.95916	1.7
97.06468	0.9
137.09666	0.8
149.05981	0.9
177.09224	0.6
177.12775	0.5
189.12822	1.2
191.14441	2.9
201.12703	0.6
203.14381	1.0
203.65894	0.6
206.21887	0.5
217.12352	3.4
219.13911	0.9
221.15462	0.6
229.12277	0.6
237.18707	0.6
247.13437	26.5
248.13785	2.3
249.15028	0.7
299.24030	0.5
315.26913	0.7
320.01355	0.5
337.21851	3.5
415.17651	0.6
423.32922	1.6
441.33911	4.9
442.34415	1.0
467.31448	0.8
485.32889	100.0
486.33237	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	485.3286
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
59.01276	3.0
61.98718	0.9
71.62560	0.7
97.06495	1.4
113.39807	0.5
121.53087	0.4
135.56195	0.5
233.15511	2.8
253.18150	0.9
263.20200	1.1
383.29694	2.2
399.32993	1.7
423.33054	4.4
425.30630	4.5
441.33963	4.2
442.34326	0.8
452.11890	0.5
467.31729	1.8
485.32938	100.0
486.33310	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	485.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50450	0.2
52.39722	0.3
57.03328	0.4
58.00499	0.2
59.01266	38.1
60.01618	0.3
61.98738	0.4
63.48715	0.2
67.89812	0.2
71.01271	4.1
71.61807	0.3
72.99207	0.6
73.02850	0.5
75.00790	0.3
78.95795	0.3
79.78377	0.2
81.03344	0.2
83.01289	0.4
83.04920	0.6
85.02850	2.7
87.00779	0.5
89.02339	3.5
93.03351	0.3
95.01307	0.4
95.04936	0.3
96.95916	3.4
97.02859	0.3
98.02412	0.3
101.02338	3.0
107.04942	1.1
109.02878	0.7
109.06543	0.3
111.04451	0.7
113.02353	3.5
119.03414	1.2
119.08593	0.5
121.06531	0.5
123.04452	0.6
123.08091	0.5
125.02380	0.5
125.06018	2.3
131.03490	0.5
135.04465	0.7
135.08113	0.7
136.05234	2.7
137.05992	0.3
137.09682	0.6
138.06792	0.4
139.07576	0.9
143.03418	0.3
145.07628	0.8
146.08252	0.2
147.02962	0.2
148.05280	0.5
149.04495	0.2
149.06068	0.3
150.03053	0.3
151.00276	0.5
151.03955	0.5
151.07593	2.6
152.08401	1.7
153.05505	0.3
153.09119	0.8
160.58841	0.2
161.04549	1.1
161.09680	1.1
163.07634	0.7
165.05527	0.4
165.09222	0.4
170.05769	0.5
171.08066	0.3
179.05608	0.3
185.09679	0.8
186.10442	0.7
188.08301	0.7
189.05566	0.7
189.09177	1.1
191.01933	0.6
191.10771	1.8
201.12851	8.2
202.13145	0.6
203.10796	4.5
204.11545	17.5
205.11928	1.0
209.02930	0.2
217.12268	0.5
219.13907	19.8
220.14227	1.5
223.06088	0.3
227.11038	0.2
228.11560	0.5
243.13998	1.1
245.11824	2.7
246.12379	0.4
263.12933	100.0
264.10504	0.5
264.13284	8.7
269.11926	0.3
277.14517	0.6
285.04056	0.3
287.12973	3.2
288.13342	0.4
293.08969	0.3
305.14026	5.1
306.14215	0.5
323.50925	0.2
425.18341	0.7
485.20132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.7
59.01266	91.8
61.98722	30.4
64.93582	2.3
69.36815	25.6
71.01272	88.4
71.53500	2.3
72.99196	38.1
73.02838	14.8
75.00765	14.1
78.12276	3.0
83.01266	5.0
85.02834	21.6
87.00764	9.4
88.98684	7.0
89.02340	100.0
90.01884	3.3
90.19501	2.5
91.00272	60.1
95.04954	2.9
96.95908	7.0
97.02872	3.6
99.00777	11.8
101.02351	56.5
107.64385	2.9
109.92293	2.9
111.00763	2.9
113.02349	23.4
113.05959	10.1
119.03396	10.3
125.02339	9.3
131.03432	36.0
143.03445	4.8
149.04482	66.1
161.04498	8.1
179.05655	3.2
191.05588	19.9
293.09003	3.3
293.12476	5.5
293.16141	7.2
311.09750	4.0
339.04977	4.5
347.91830	2.8
425.20712	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	0.8
59.01264	22.6
60.73550	0.4
61.98712	1.5
68.01305	15.4
69.29025	3.6
71.01269	11.6
72.99193	1.2
73.02837	0.8
75.00765	0.9
77.61446	0.4
78.95785	2.2
79.95630	1.1
81.76721	0.4
83.01292	0.8
85.02853	2.9
87.00771	3.0
88.30083	0.4
89.02341	14.4
90.03381	0.6
94.02882	1.5
95.01271	0.8
96.95914	41.8
96.96815	3.7
97.02837	0.4
97.95840	1.7
98.02379	100.0
98.95490	4.9
98.96326	1.0
99.00801	3.2
99.01901	5.3
99.02713	2.0
101.02345	7.3
102.01868	0.5
108.04480	0.6
109.02862	0.8
110.02399	4.0
111.00814	0.8
112.03918	0.4
113.02351	5.0
115.45093	0.4
115.92019	0.6
119.03432	5.6
122.02360	1.2
125.02336	0.4
128.03456	3.6
129.01825	0.4
131.03477	0.7
134.02417	1.4
134.05173	0.4
139.07625	0.9
140.03444	1.8
140.42424	0.4
141.01871	0.5
143.03439	1.5
149.04553	0.5
151.07529	0.6
152.03456	1.0
158.04544	2.6
159.03000	0.5
161.04504	1.8
164.03461	0.7
172.62146	0.4
179.05577	6.5
182.04536	0.8
190.05084	1.0
200.05679	0.4
204.80783	0.4
218.06683	1.5
226.12299	0.5
244.13454	2.1
251.05611	0.6
262.14532	1.5
286.14606	1.0
304.15738	0.6
424.20129	0.5
424.54788	0.5
472.74759	0.4
484.14441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1313
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
55.01735	1.2
59.01265	20.9
61.98720	1.4
70.17313	0.8
70.98500	1.7
71.00910	1.4
71.01273	17.2
72.99194	1.6
73.02828	2.9
74.22682	0.9
75.00761	2.6
83.01276	7.9
85.02837	4.3
86.40870	0.9
87.00764	1.9
88.98656	0.9
89.02344	11.2
93.03356	14.5
95.01257	1.7
96.95906	15.4
97.02851	1.4
98.02372	1.3
99.00774	4.3
101.02345	9.9
109.02906	0.9
111.00777	4.9
113.02365	4.8
117.03365	3.9
119.03397	4.1
119.04938	20.7
121.06522	1.1
123.04427	1.0
124.17921	0.9
125.02341	1.7
130.04147	2.3
131.03423	1.1
131.04973	4.4
131.24940	0.8
132.05714	2.8
133.02870	4.1
133.06525	9.6
135.04413	1.5
137.02318	1.9
141.01868	2.5
141.73634	0.9
143.04942	3.1
145.02837	3.3
145.06506	7.6
147.04451	20.3
148.04996	1.0
149.06021	12.6
156.05725	1.9
157.06522	1.7
159.04410	1.9
159.08006	1.3
161.02408	2.3
161.04498	3.7
161.06000	7.6
163.03967	1.3
163.07578	1.8
165.05486	4.0
167.03456	2.4
169.06546	2.3
170.07324	1.2
171.04446	4.0
171.08102	2.1
172.05276	2.0
173.06018	4.0
175.03938	3.4
175.07521	1.5
177.01871	1.6
177.04077	1.7
177.05530	24.6
178.05852	1.8
179.05516	3.4
184.05263	1.4
187.03973	1.9
187.07573	3.4
189.05469	26.3
190.05875	1.0
191.07016	2.3
193.04977	7.1
199.07579	7.4
201.05533	3.8
203.03499	2.0
205.05014	6.1
213.05486	2.3
215.07155	1.4
217.08681	12.1
219.06630	4.7
221.04556	100.0
222.04875	6.7
225.05573	3.6
231.06627	2.5
243.06651	22.5
244.06992	1.7
259.06125	1.1
261.07709	4.6
263.05658	10.0
279.08771	3.1
287.05823	1.6
305.06677	9.4
323.07761	2.7
335.23236	1.1
347.09772	2.4
393.12027	1.0
411.12915	2.0
423.12964	3.9
441.07990	1.6
441.14111	30.3
442.14429	2.6
485.13016	45.0
486.13205	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3141
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
50.98442	0.5
59.01254	1.0
71.56684	0.6
78.95796	1.7
83.36552	0.6
97.06535	0.7
152.99536	1.6
217.96156	0.5
233.15485	10.4
245.04401	1.6
246.04794	0.9
247.04784	1.4
247.69879	0.6
251.16580	1.2
255.22371	0.7
361.89453	0.6
395.33182	0.7
421.30994	0.9
423.29410	0.9
439.32285	0.9
483.31290	100.0
484.31631	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.6
61.98717	100.0
64.93785	0.2
71.01276	1.5
72.01632	0.4
73.02839	0.5
83.01283	0.3
85.02857	0.7
87.00790	0.2
89.02349	0.9
90.02698	0.2
101.02369	0.5
109.57689	0.2
113.02380	0.6
131.03436	0.4
134.44194	0.2
136.40240	0.2
146.08154	0.4
159.02786	0.2
161.52341	0.2
201.46893	0.2
205.05095	0.6
206.05495	0.4
422.21643	0.5
423.21851	0.6
424.21835	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	484.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11625	0.1
55.01779	0.1
59.00992	0.2
59.01264	1.8
60.01625	0.2
61.98717	100.0
62.98406	0.2
70.26811	0.1
71.01263	1.5
73.01707	0.1
73.02846	0.5
74.03187	0.1
77.33644	0.1
83.01305	0.1
84.23330	0.1
85.02858	0.8
86.03151	0.2
89.02354	0.2
98.19769	0.4
99.00774	0.2
101.02353	0.9
102.02704	0.3
113.02366	0.6
114.02682	0.2
115.14188	0.2
126.68245	0.1
161.04549	0.2
162.04820	0.1
163.04973	0.2
169.08455	0.1
246.62688	0.1
249.11191	0.3
289.16772	0.5
290.16949	0.8
291.17200	0.6
292.17474	0.6
393.39526	0.1
423.21701	0.4
424.21753	1.4
469.02914	0.1
485.23987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44716	0.2
59.01275	0.3
60.86556	0.2
67.85619	0.2
69.57619	0.2
69.57958	1.7
78.95792	6.7
81.13345	0.2
82.91397	0.2
85.60777	0.2
96.96857	0.6
152.99530	15.0
153.99872	0.3
171.00612	1.4
227.03256	3.0
237.22305	0.2
245.04292	1.2
255.23326	100.0
256.23669	10.2
481.04346	0.2
483.27347	33.6
484.27664	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	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.6
78.95795	17.6
85.16979	0.3
85.60406	0.4
90.45772	0.3
96.96870	1.7
98.19736	0.5
150.97968	0.8
152.99527	31.7
156.06659	0.3
171.00613	1.2
192.26021	0.3
227.03273	4.5
245.04340	1.1
255.23332	100.0
256.23718	8.2
297.04391	0.4
391.22607	1.0
483.27332	58.2
484.27594	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	483.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.3
56.29007	0.5
57.03343	2.5
58.00481	0.9
59.01263	32.1
61.98712	0.9
63.90905	0.4
69.03326	0.7
69.10728	0.4
70.88853	0.6
70.89198	1.0
71.01270	32.6
72.01616	0.6
72.36020	0.4
72.99198	1.5
73.02832	14.4
75.00758	1.0
83.01279	8.1
85.02842	20.9
85.99986	0.8
87.00779	1.5
89.02340	5.3
95.01303	1.7
97.02854	1.3
99.00779	6.5
101.02345	37.3
102.02675	1.1
108.61215	0.4
111.00782	1.0
113.02353	14.7
115.03893	0.5
119.03393	0.5
125.02365	1.7
129.01866	1.4
131.03403	0.5
143.03426	1.9
149.04471	0.8
156.05365	0.4
159.02924	3.4
161.04514	11.2
199.13361	0.6
215.42554	0.5
217.08702	0.7
291.18201	100.0
292.18530	8.0
306.96271	0.5
335.17120	1.0
423.22433	67.1
424.22757	7.9
483.18219	0.8
483.33295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43342	0.2
57.03339	0.3
59.01267	2.6
61.98703	0.4
69.53374	1.6
69.53788	0.6
71.01275	1.7
72.99194	0.4
73.02840	0.8
73.52035	0.2
78.95792	2.0
79.95625	2.4
83.04901	0.2
85.02845	1.1
87.00766	0.6
88.98698	0.6
89.02341	1.6
96.95914	100.0
96.96795	3.7
97.02841	0.4
97.95843	0.3
98.02379	7.1
98.19803	0.4
99.00804	0.4
101.02355	1.0
109.02834	0.3
113.02376	0.6
114.10049	0.2
119.03423	0.4
121.02911	0.4
130.98509	0.2
133.02888	1.6
134.03580	0.3
135.04506	0.4
144.10664	0.2
147.04483	0.3
149.04530	0.3
152.03522	1.4
153.03856	0.4
161.04556	0.5
163.00291	0.3
163.03935	0.6
166.78023	0.2
175.03922	0.6
179.05624	0.5
180.37823	0.3
184.06102	0.3
191.03484	0.5
283.06317	0.4
284.03296	1.5
285.04114	1.2
297.04047	2.4
298.04782	1.5
299.05688	3.0
327.05154	15.3
328.05554	1.9
339.05103	0.4
339.11972	0.5
357.06216	3.5
358.06616	0.5
369.06223	0.5
440.14185	0.3
447.09442	13.3
448.09769	1.1
483.16766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34619	6.3
57.58788	6.7
57.91862	6.7
59.01265	100.0
61.98714	44.5
62.33920	6.1
62.55267	6.2
62.58926	5.6
64.13435	6.3
68.93267	6.3
69.41815	63.9
71.01268	62.5
73.02825	16.2
75.00760	8.8
85.02828	12.5
89.02338	56.5
98.21520	5.8
101.02377	31.8
108.04417	6.4
113.02332	18.9
119.03416	8.1
122.06017	8.6
123.04431	5.9
131.03419	13.0
131.06183	6.3
135.08075	15.9
135.39069	6.6
136.05214	7.7
149.04472	29.0
149.05887	11.0
151.07585	18.7
217.08643	13.3
243.09006	8.4
244.09785	16.1
249.08794	7.4
272.12820	9.2
357.93234	6.8
421.17734	8.4
439.18527	19.6
447.22507	14.8
483.18103	65.7
483.33423	59.1
484.20416	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	483.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01330	0.2
60.01594	1.4
61.98724	0.7
70.72940	0.6
71.00890	0.3
71.01263	1.9
85.02873	0.4
90.28819	0.2
101.02349	0.2
113.02380	0.3
121.02883	0.4
142.10974	0.2
151.90685	0.2
178.95917	0.2
289.12109	0.7
333.10980	1.3
381.11868	0.5
483.33554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10461	0.1
53.68504	0.1
57.03341	0.2
59.01266	4.6
61.98714	0.5
68.01299	2.7
68.72779	0.2
69.41047	1.2
71.01270	3.3
72.99183	0.3
73.02845	0.3
75.00766	0.4
78.95795	4.0
79.25486	0.2
79.95629	1.7
82.49342	0.1
83.02416	0.2
85.02847	1.1
87.00792	1.1
89.02335	2.9
94.02876	0.3
95.01284	0.2
95.34360	0.2
96.95914	100.0
96.96816	8.9
97.95860	0.4
98.02377	20.5
99.00798	0.4
99.01919	0.3
99.02728	0.3
99.04404	0.3
101.02343	2.2
109.02808	0.2
110.02397	1.1
113.02337	1.5
117.37102	0.2
119.03412	1.2
122.02384	0.3
125.02369	0.2
128.03439	1.0
131.03502	0.3
134.02417	0.2
137.02330	0.2
140.03412	0.2
143.03444	0.3
149.04457	0.4
152.03459	0.2
158.04520	0.5
159.02977	0.2
161.04524	0.5
167.49103	0.2
179.05553	1.7
182.04486	0.2
190.05205	0.2
200.05788	0.2
218.06635	0.3
244.13545	0.5
262.14493	0.2
286.14429	0.3
298.12939	0.2
302.84381	0.2
339.12018	0.2
417.30313	0.2
424.20145	0.3
483.14014	0.3
483.20871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.6
71.62144	1.2
78.95795	51.8
96.96870	4.4
141.51437	0.5
150.97913	0.6
152.99529	79.7
153.99890	0.9
171.00601	13.9
224.70372	0.7
227.03239	7.6
245.04349	62.4
246.04745	1.5
253.21764	41.0
254.22084	3.2
481.25812	100.0
482.26202	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	483.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.7
63.63485	0.4
64.07796	0.4
67.13395	0.4
69.80243	0.4
71.01277	0.5
71.27918	0.4
71.57956	0.5
79.95635	1.3
85.02847	2.5
87.00754	0.4
96.95913	100.0
97.95863	0.6
129.01807	0.4
163.03954	0.5
169.01392	0.4
171.07713	1.0
174.65822	0.4
191.01903	2.2
209.02992	1.0
385.08005	0.8
483.11508	0.9
483.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37558	1.7
56.92183	1.7
57.03346	2.7
59.01265	100.0
61.98709	7.4
71.01271	46.9
71.62447	2.1
72.99194	14.6
73.02840	7.5
75.00770	21.8
75.48820	1.8
78.91757	2.3
79.85487	1.7
81.03344	2.0
83.01284	6.2
85.02838	20.3
87.00768	6.7
87.04415	3.9
87.98696	1.8
89.01822	3.4
89.02338	40.3
90.01872	2.2
91.00267	23.1
95.01273	3.8
96.95937	3.2
97.42530	1.8
97.89735	1.8
99.00794	5.9
101.02341	32.6
113.02361	19.7
114.00939	1.7
117.05513	7.4
118.74081	1.9
119.03419	14.5
119.04976	2.7
120.93356	1.6
125.02376	3.3
129.01854	3.5
132.50049	1.6
137.02365	4.0
146.94318	1.9
153.01929	2.4
159.02922	2.9
161.04500	9.8
163.03929	4.5
165.01881	2.0
165.05449	2.5
169.94919	1.9
177.90549	1.7
179.05585	5.9
191.01976	2.1
195.06529	2.8
231.62212	1.8
258.64642	1.9
270.01514	2.3
271.02505	2.5
301.07236	2.7
319.08221	5.9
349.14465	2.0
367.12241	2.1
421.20746	7.8
423.14975	2.6
437.16745	6.7
445.86652	2.1
464.18805	2.0
481.12585	4.2
481.19193	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78646	0.5
64.74018	0.5
69.07570	0.5
71.51562	0.9
78.95792	34.1
79.10352	0.5
95.78006	0.6
96.96849	3.0
96.97459	0.5
109.68819	0.5
152.99524	52.3
153.99896	0.8
154.07466	0.5
171.00595	16.1
227.03227	3.9
245.04346	100.0
246.04767	4.4
253.21765	68.0
254.22107	6.1
283.50989	0.5
464.21649	0.6
470.21570	0.6
481.25818	53.5
482.26233	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.5
57.03326	6.3
58.35213	1.5
59.01268	100.0
60.10254	1.5
61.98709	4.5
64.31256	1.4
69.30721	8.0
69.31157	7.8
71.01273	48.8
72.99197	21.9
73.02830	6.7
75.00761	13.4
81.03375	1.7
83.01260	2.2
85.02852	28.5
87.00769	7.6
87.04392	2.5
88.98682	2.7
89.02345	36.0
90.01868	4.5
91.00270	53.1
93.03365	1.6
95.01266	4.1
95.04904	1.8
97.02832	2.4
97.06500	1.5
98.31832	1.6
99.00789	5.5
99.04433	1.7
101.02338	23.1
102.02628	1.7
109.02873	5.1
111.00764	2.2
111.04434	2.2
113.02356	23.6
113.05935	1.5
119.03446	11.0
119.04945	7.2
122.03685	1.9
122.06032	3.2
123.04445	2.1
123.52697	1.3
125.02341	2.8
127.07529	4.1
131.03401	2.1
137.02415	2.0
143.03403	4.0
149.04391	3.0
150.03059	2.1
151.03813	1.5
151.07582	11.2
152.01105	1.9
153.01901	1.6
153.65007	1.6
155.03447	2.3
159.02928	2.7
161.04482	11.7
163.03909	7.8
165.04030	2.6
165.05525	2.9
165.09157	24.4
167.03473	2.0
167.23793	1.5
179.05598	14.9
195.06575	2.4
201.11226	2.7
205.12340	3.7
209.11879	2.1
223.13380	4.2
225.15045	1.7
227.34160	1.5
240.78783	1.5
267.07236	1.5
301.03821	2.3
301.07101	2.5
301.11990	6.9
319.08176	7.7
319.12576	2.4
349.18518	2.8
387.20358	3.1
421.20844	2.4
437.16675	3.6
481.13190	2.9
481.19046	6.1
481.31094	1.9
482.19897	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.1
58.00483	1.6
59.01264	100.0
60.01592	1.9
61.98716	45.3
69.03345	1.1
69.37553	8.8
71.01269	59.9
72.01600	1.3
72.99200	3.4
73.02843	11.0
75.00774	3.2
81.29136	1.2
83.01279	4.5
85.02846	14.1
85.99988	1.4
87.00774	7.1
89.02339	80.5
90.02690	1.4
90.59669	1.0
97.02927	1.9
98.20580	1.9
99.00780	2.8
101.02346	47.3
111.00794	1.3
113.02360	14.2
117.39600	1.0
117.64008	0.9
119.03413	8.1
125.02370	3.1
131.03419	36.2
132.03778	1.6
149.04501	72.4
150.04832	1.5
161.04503	5.3
170.19250	1.2
179.05539	1.8
188.51970	1.2
191.05568	15.8
251.07635	2.2
289.16656	18.4
311.09805	1.6
349.08038	1.2
421.20862	54.6
422.21390	5.3
462.60275	1.3
481.26590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29272	0.8
52.49791	0.7
55.01765	3.5
56.83113	0.9
57.03324	3.8
58.00471	1.6
59.01266	47.0
60.92426	0.8
61.98721	19.0
64.63367	0.8
69.03318	0.9
69.36938	0.9
69.38087	6.6
69.38493	2.0
71.01271	52.0
72.01578	0.9
72.99184	2.1
73.02836	18.7
75.00754	2.2
79.76083	0.8
83.01281	7.7
84.02035	0.9
85.02344	1.8
85.02839	24.1
87.00776	2.4
89.02338	20.7
95.01290	3.4
95.70177	0.7
97.02876	1.1
98.20599	1.9
99.00780	6.7
101.02348	44.7
111.00794	1.5
113.02358	21.7
119.03430	5.9
125.02351	1.7
127.11208	2.3
131.03418	4.8
134.03667	0.8
135.08130	0.9
142.48015	0.8
143.03410	1.9
143.10716	2.5
149.04472	10.1
157.63707	0.8
159.02927	2.9
161.04495	13.9
173.04462	1.1
179.05542	1.2
191.05585	1.6
195.99677	0.8
269.04709	1.0
289.16638	100.0
290.16946	6.2
290.19672	1.1
333.15439	1.3
421.20880	72.9
422.21262	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	479.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01605	1.2
69.95539	0.7
71.00933	0.2
71.01261	1.1
73.02849	0.6
83.01318	0.2
87.04414	4.3
87.04909	0.3
89.02361	0.3
92.03911	0.2
96.95931	0.2
101.02367	0.7
113.02399	0.7
143.93642	0.2
171.05379	0.2
213.11407	0.6
302.80316	0.2
479.30905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00203	0.1
55.01761	0.7
57.03329	0.5
58.00480	0.6
59.01266	100.0
60.01595	1.0
61.98730	0.2
69.03356	0.4
71.01270	16.8
71.20964	0.3
72.01620	0.4
72.99197	0.8
73.02837	8.6
75.00768	0.2
81.03376	0.2
83.01278	3.1
85.02845	4.2
86.00044	0.1
87.00774	0.9
89.02338	9.2
95.01298	1.1
97.02860	0.3
99.00790	0.6
99.04414	0.2
101.02347	12.5
102.02685	0.2
111.00796	0.2
113.02358	8.6
114.02702	0.2
119.03422	4.1
125.02390	0.5
131.03439	1.0
137.09692	0.4
141.11891	0.1
143.03438	1.3
149.04485	1.1
155.03484	0.4
161.04501	3.0
179.05574	1.7
179.06937	0.1
185.15498	0.6
203.05659	0.2
221.06789	0.2
232.39929	0.2
275.20273	0.4
337.87668	0.2
419.24506	2.5
437.25610	2.5
438.25839	0.3
479.27200	0.5
492.65445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	8.7
59.01261	45.3
61.98695	4.1
65.00214	9.1
68.99718	5.8
69.03316	18.4
69.40695	3.5
71.01279	30.5
71.04892	5.6
71.59354	8.3
73.02853	9.2
75.00761	7.3
76.60480	5.0
81.03345	20.8
83.01276	17.1
85.02826	23.6
87.00777	14.8
89.02312	18.8
93.03355	27.9
95.01294	13.9
95.04929	11.1
97.02870	31.8
99.00777	28.5
99.04418	17.1
101.02354	13.6
105.03365	6.4
107.01252	5.9
108.02110	7.3
109.02851	33.2
111.00773	24.2
111.04476	5.6
112.54884	4.9
113.02354	19.1
117.03374	16.2
119.04987	7.6
121.02856	30.4
122.05989	4.7
123.00784	17.1
123.04433	21.5
124.01588	6.9
125.02369	86.3
126.99496	4.2
131.05013	4.8
133.02901	15.7
135.00818	8.4
135.04466	19.0
136.01535	5.5
137.02370	58.9
138.03162	7.6
139.00336	9.6
139.03941	26.8
140.01199	5.0
141.01871	36.0
147.04474	5.4
149.02402	35.1
149.04440	4.9
150.03142	5.3
151.00291	23.3
151.03943	33.4
152.01050	13.1
153.01892	43.1
161.02388	14.4
161.04413	4.9
162.55357	4.2
163.00333	28.8
163.03915	11.3
164.01085	11.4
164.07141	5.3
165.01897	84.5
166.02641	45.1
167.03455	100.0
169.01366	6.4
173.02324	6.6
175.03949	6.8
176.01044	5.2
177.01913	27.9
178.02560	5.2
178.99821	26.9
179.03494	27.9
181.01428	40.6
182.01805	5.8
183.02979	29.5
189.02031	5.1
190.99829	5.0
191.03458	15.9
192.00536	5.7
193.01382	75.1
194.02115	8.8
195.03018	28.6
196.03751	10.5
196.47990	4.2
197.04466	20.6
199.04041	4.8
201.05566	6.3
203.03445	3.9
205.01486	24.0
206.02127	5.4
207.02939	45.1
209.00932	12.6
211.02466	12.5
213.03958	7.0
215.03505	6.1
219.02980	44.9
221.00925	48.8
223.02487	32.6
224.03285	30.2
225.03937	8.7
225.93320	3.5
227.12872	6.1
229.05048	6.0
231.06517	5.2
233.00931	4.9
233.04494	6.0
235.02428	20.9
237.04086	5.4
239.01947	5.5
243.02904	5.5
243.06682	7.7
245.04674	12.8
250.72144	4.3
251.01994	21.0
255.06812	5.8
257.04477	8.9
259.06134	11.1
261.06271	9.1
269.04575	26.2
271.06171	12.6
272.06519	4.7
273.04010	9.5
275.05576	5.9
282.05368	5.2
283.03235	4.0
283.06244	25.9
285.04007	9.7
286.64066	4.1
287.05176	7.3
287.08182	17.7
297.03894	18.6
298.04828	6.1
299.05597	36.1
300.06061	5.8
303.07388	11.4
311.05560	38.3
312.06122	6.0
313.03500	7.6
315.05106	15.3
316.05832	6.4
317.06555	4.9
319.06952	4.5
325.05814	8.4
327.05170	56.8
328.05676	7.3
329.06659	6.5
331.05121	6.4
341.05234	24.9
342.06033	5.8
343.04404	45.3
344.04892	35.8
345.05981	6.2
355.06638	4.0
357.06161	17.3
361.05692	79.7
362.06070	11.4
373.05652	16.6
374.06223	4.3
391.06888	13.0
420.10461	5.2
431.09915	51.7
432.10147	7.3
435.09436	7.5
446.08676	7.2
447.09445	54.6
448.09811	4.9
463.08936	25.9
464.09521	29.5
481.09988	95.1
481.17007	7.7
481.26593	17.5
482.10236	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	479.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57026	1.1
57.03339	7.8
58.00456	0.9
59.01266	29.2
60.00764	0.9
61.98714	8.5
63.02271	1.6
65.00207	4.1
69.03339	2.1
69.29594	8.7
71.01270	21.2
72.01588	0.9
72.99201	24.3
73.02845	4.7
75.00758	5.0
81.03349	1.0
83.01283	5.2
83.04892	1.5
85.02845	12.7
85.37720	0.9
87.00778	3.3
88.98693	5.7
89.02338	15.3
90.01852	3.3
90.99107	2.0
91.00266	38.5
93.03368	1.5
95.01288	10.5
95.15922	0.9
96.95935	1.2
97.02853	2.0
99.00801	2.8
101.02353	14.0
107.01291	3.1
108.02080	1.9
108.27704	0.8
109.02863	2.6
111.00772	3.8
112.00117	0.7
113.02370	8.4
119.03405	3.7
121.02850	2.6
122.03719	0.8
123.00823	5.5
123.04485	1.6
124.01601	15.1
125.02368	46.1
126.02738	1.0
131.03412	1.1
134.03699	1.0
137.02356	4.9
139.00301	2.9
140.01083	1.2
143.03429	1.7
145.01421	1.9
149.02373	2.3
149.04526	1.8
150.03140	2.5
151.00316	10.6
151.03828	1.2
152.01100	17.3
153.01791	2.7
153.09138	3.1
160.04062	1.2
161.04535	5.0
161.05736	1.2
164.04716	1.2
165.01912	5.2
165.05521	2.4
167.10791	1.5
169.01349	1.4
175.06026	0.9
177.01945	0.8
178.99837	13.1
179.05608	4.9
179.10739	8.4
180.00264	0.9
185.11760	2.2
188.04828	0.9
192.04192	2.0
199.13370	1.7
203.03503	1.0
203.10799	1.4
207.06595	2.9
214.06319	1.2
216.04286	1.8
221.11827	7.6
225.14944	8.3
230.05818	1.2
231.06625	3.8
233.04683	1.1
256.03790	1.4
257.04611	2.0
258.05392	3.6
273.05020	1.2
273.07681	5.0
274.04840	2.8
274.07941	1.3
284.03329	2.4
289.07242	40.4
290.07523	4.5
298.04767	0.9
299.05664	6.5
299.18631	2.2
300.05930	1.7
316.02295	1.7
317.03363	1.1
317.06720	31.5
317.10385	2.2
317.16315	1.4
317.19684	1.9
318.07071	3.1
347.12192	0.8
347.17172	4.9
389.13727	1.9
417.21960	1.4
479.12109	100.0
479.25409	25.6
480.12439	15.3
480.25363	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	479.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15400	2.5
55.01766	4.4
56.99890	2.8
57.03328	5.5
58.00473	3.0
59.01268	61.8
61.98713	6.7
64.49030	2.8
65.00230	2.5
69.03348	4.5
69.27593	17.1
69.28015	11.5
71.01269	44.1
72.99194	37.5
73.02827	11.4
75.00764	9.4
83.01283	4.6
85.02847	33.9
87.00777	13.4
88.98695	7.4
89.02337	38.3
89.30187	2.8
90.01851	4.4
91.00269	75.8
95.01277	2.8
96.95918	24.6
96.96875	3.0
97.02799	3.8
98.02382	6.6
98.19745	5.4
99.00775	3.0
101.02335	27.9
109.02859	9.2
111.00820	2.5
113.02364	18.4
113.06023	2.7
116.92757	6.7
117.01751	2.3
119.03416	9.5
120.03938	2.1
120.17805	2.3
121.02863	4.2
123.04456	2.8
123.08044	2.8
125.02338	7.4
127.70443	2.5
129.05464	3.7
133.04939	3.7
135.04466	2.4
137.02348	6.9
139.11226	4.1
143.03360	2.8
149.02394	4.4
149.04480	4.9
150.03149	4.9
151.00305	10.1
151.07573	2.5
153.09126	8.2
160.03915	2.9
161.04581	12.5
163.00250	3.5
163.03951	3.1
164.01024	4.1
165.01862	3.8
165.05539	6.5
167.03481	7.3
177.01866	4.4
178.99881	5.4
179.05576	8.4
179.10748	14.7
183.10222	8.4
185.11789	3.7
189.01849	3.5
190.99809	3.6
191.03539	3.0
193.01378	7.5
195.06567	3.2
199.13406	3.7
205.01393	4.0
207.02895	4.5
214.02625	5.1
221.11835	14.4
225.14960	9.5
242.02219	4.7
243.03119	3.1
255.11308	3.0
259.02515	3.4
267.07117	2.9
270.01755	8.8
271.02527	37.3
272.02994	2.7
285.04028	4.9
287.02054	13.9
287.05331	3.2
288.02560	3.6
299.09268	4.5
299.18719	5.0
313.03641	6.6
315.05063	5.2
316.02295	100.0
317.02893	30.0
317.06659	6.1
317.19788	9.6
329.03009	2.9
347.16956	3.5
359.04221	18.5
387.20660	2.8
389.04846	4.3
389.13510	4.0
479.08334	83.6
479.25748	49.2
480.08975	13.4
480.25397	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	479.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55531	1.4
57.03337	1.6
58.00481	11.9
59.01262	8.8
64.67708	1.3
69.53761	9.8
69.54184	2.9
71.01263	6.2
72.99202	2.1
75.00764	6.9
81.61694	1.5
83.01265	2.4
85.02846	3.0
87.00761	1.6
89.02323	3.3
97.42947	1.4
101.02336	1.8
108.02112	1.5
109.02839	1.6
110.06013	8.7
111.00783	1.8
113.02370	1.8
118.06544	2.8
119.04985	1.5
122.06036	13.7
134.06065	1.4
136.07484	1.6
146.06058	12.8
148.07646	2.1
158.06090	2.4
160.03943	4.4
160.07610	2.5
161.04501	1.8
162.05470	1.7
174.05544	6.2
175.06313	3.1
176.07056	3.1
177.04265	1.9
178.05006	3.3
179.05638	1.8
181.79337	1.4
186.05498	8.7
187.06361	20.7
188.06798	2.2
190.05087	3.3
191.05705	3.3
199.37373	1.6
204.06644	46.2
205.07379	15.5
206.04562	4.2
207.05382	10.0
208.06187	3.7
216.06590	1.6
219.05397	9.8
236.05602	4.7
237.06412	11.4
255.06657	1.5
255.11453	2.2
267.11353	1.5
269.12946	5.5
297.12491	4.5
299.10410	3.0
315.13544	17.5
316.14053	2.0
317.10318	1.8
327.13559	75.2
328.14175	7.4
339.13464	3.4
345.14624	100.0
346.14941	11.6
357.14584	6.0
375.15723	1.8
382.00760	1.4
399.15213	1.4
435.17651	1.7
479.11536	3.0
479.17682	2.2
480.17929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03346	1.9
58.00486	2.5
59.01264	100.0
60.01602	2.9
61.01681	1.5
61.98721	5.1
65.00187	0.6
69.03340	1.6
71.01270	57.8
71.28784	0.6
71.54865	1.1
71.55268	1.0
72.01632	1.1
72.99200	4.0
73.02829	11.1
75.00780	2.0
81.03353	0.7
83.01294	2.8
83.04939	1.4
85.02838	12.0
87.00764	4.3
87.04412	1.6
89.02338	72.7
95.01295	1.6
95.04904	1.0
97.02879	0.8
98.06310	0.7
99.00794	2.1
101.02345	34.7
106.06539	1.4
109.02852	1.1
111.00802	1.1
113.02351	16.1
113.03075	0.9
119.03403	6.3
119.03989	0.6
119.04877	0.7
125.02368	2.4
131.03418	25.3
132.16519	0.8
134.06050	7.5
137.02386	1.7
138.05565	2.8
139.00305	1.0
149.04495	62.8
149.09628	0.9
150.04813	1.2
151.00333	3.5
151.03961	0.9
153.01781	0.8
154.99834	3.0
161.04541	3.2
163.89711	0.7
165.99126	1.0
166.99834	1.3
172.07619	1.4
175.11235	1.4
177.09204	1.8
178.05029	5.2
178.99896	1.5
179.05649	1.7
181.01427	1.2
191.05591	11.5
194.99455	1.5
215.03453	1.0
243.03024	1.3
257.04877	0.8
271.02460	1.6
285.04144	1.9
287.02020	2.4
287.15140	1.1
300.02881	0.8
315.01642	2.6
315.05142	1.3
317.12585	4.9
340.10474	1.6
359.06107	0.8
419.19479	2.7
435.22662	1.6
441.17749	1.7
479.08578	2.4
479.18695	1.2
479.25894	1.7
479.32538	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01007	1.1
59.01268	16.1
61.98690	3.5
67.01771	1.3
69.36183	8.5
71.01276	8.2
72.99166	2.6
73.02821	1.5
75.00747	2.3
81.03353	0.8
83.01247	2.3
85.02819	3.3
87.00762	2.4
88.00279	1.1
88.98698	4.7
89.02342	14.9
90.01828	1.5
91.00272	1.3
94.75620	0.8
95.01256	3.4
96.95892	1.4
97.02843	1.0
98.02351	0.9
101.02338	5.0
107.01292	1.6
108.01378	1.4
108.02073	22.2
109.02827	3.4
109.22785	0.8
111.00797	11.1
113.02306	2.8
119.03360	2.2
121.02824	3.5
123.00798	35.0
123.04441	24.9
124.01586	21.7
125.02380	5.1
129.01788	0.9
135.04395	1.1
136.01588	1.3
137.02332	2.1
139.00279	1.2
139.03896	1.1
147.00742	3.6
148.01582	4.8
149.02301	1.5
149.04573	1.1
149.06001	1.0
151.00325	4.4
151.03877	1.5
152.01021	2.3
153.01811	2.0
153.05437	3.1
156.22763	0.8
160.03993	1.2
161.04480	2.2
162.03139	4.6
163.03954	8.2
163.70381	0.8
173.06023	1.5
176.03435	3.3
177.03993	1.4
178.04961	1.6
178.99849	4.2
179.01143	1.0
179.05450	3.3
192.46643	0.9
198.69395	0.8
203.07025	1.0
211.04002	0.9
219.41508	0.9
227.06952	1.1
229.05014	1.7
230.02124	1.0
230.05763	1.8
231.02959	2.1
231.06621	1.3
232.03592	1.1
239.03271	1.1
240.04372	1.5
241.04968	0.9
243.02895	1.3
254.05760	1.8
255.06578	3.2
256.03696	1.6
256.06772	0.9
257.04568	4.2
270.05276	1.0
271.06039	2.9
272.06961	28.5
273.05362	0.9
273.07758	10.6
274.07874	1.1
281.09171	1.3
287.09314	90.2
288.09653	9.2
289.07242	12.0
290.07428	1.5
298.04800	4.5
299.05405	2.7
299.10443	7.1
313.07028	3.8
315.05051	1.3
316.05917	7.2
317.06995	7.0
317.10336	100.0
318.07339	1.2
318.10690	11.7
325.53711	0.8
334.32251	1.0
345.14429	1.7
347.16730	1.3
419.19061	1.2
449.14630	2.2
451.12314	2.6
461.10339	1.3
479.11658	38.8
480.12000	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	479.1209
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
51.60489	1.1
57.03313	2.2
59.01264	29.7
60.99161	1.4
61.98714	6.6
68.99686	1.2
71.01268	14.1
71.53674	1.9
71.90318	1.2
72.99175	3.9
73.02825	2.7
75.00764	9.2
82.83759	1.3
83.01249	3.1
85.02857	6.1
87.00748	5.2
88.00263	3.7
88.98695	11.2
89.02340	29.1
90.01854	2.1
95.01271	3.1
99.00749	3.4
101.02342	8.2
107.01225	2.4
108.02042	4.0
109.02837	1.6
110.02316	1.6
111.00799	9.6
112.65008	1.2
113.02374	6.4
119.03408	4.3
120.01191	1.4
121.02811	1.3
122.05959	1.5
123.00755	4.5
123.04397	3.4
124.01541	3.9
125.02359	9.8
131.03394	1.8
136.03957	2.6
137.02339	3.1
147.00729	1.9
149.02287	1.3
149.04663	2.6
149.05904	1.8
151.00290	7.7
151.03902	1.8
152.01047	4.1
152.03403	2.3
153.01781	3.7
161.04550	2.2
162.05482	2.2
163.03937	2.4
164.03407	2.0
167.03365	1.3
175.07515	3.0
176.03490	11.2
177.04222	2.8
178.04941	2.5
178.99820	8.0
179.05537	3.0
187.04001	1.5
192.04193	1.4
201.05441	1.4
203.03296	2.2
203.07114	1.5
213.05580	2.0
215.03465	2.4
220.06152	1.6
227.03545	1.6
227.07065	1.8
229.08534	1.7
230.05774	2.0
231.02856	4.3
231.06485	1.8
232.03644	4.4
232.05826	1.2
240.04303	1.6
243.02907	2.3
245.07990	3.1
253.05061	1.4
254.05746	4.3
255.06557	5.6
256.09641	2.1
257.04544	2.1
258.05490	1.6
272.06973	8.1
273.07761	18.4
274.04657	2.8
274.07675	1.7
279.12195	1.8
281.09192	3.5
287.09277	11.1
289.07251	31.6
290.07474	1.7
298.04901	16.2
299.05688	5.9
299.10443	16.9
313.07227	7.2
316.05917	15.8
317.06497	17.5
317.10223	14.1
318.10504	1.6
331.08142	2.0
345.14487	2.3
389.13297	1.6
419.22797	4.1
451.12491	10.4
461.10611	2.9
479.11682	100.0
479.16742	9.7
480.12225	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1208
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
55.02043	0.4
57.03340	6.7
59.01262	8.3
61.98715	1.6
63.02267	1.6
65.00204	2.7
69.03338	1.5
69.97312	0.7
69.97602	2.5
71.01267	5.2
71.04881	0.5
72.99216	2.9
73.02826	1.3
73.81868	0.5
75.00757	1.7
83.01281	4.3
85.02837	3.2
87.00784	0.9
88.98693	1.0
89.02318	3.9
91.00268	0.8
95.01288	11.0
97.02859	0.6
98.19875	0.6
99.00787	0.9
101.02355	3.3
107.01306	2.4
108.02093	1.0
109.02872	2.6
111.00782	2.7
113.02348	2.2
119.03406	1.3
121.02869	1.2
122.03632	0.7
123.00809	5.7
123.04449	1.0
124.01590	13.1
125.02369	53.3
126.02704	1.8
129.05466	0.7
133.04985	0.7
137.02362	2.6
139.00301	2.8
139.11203	1.5
143.14180	0.5
145.02908	0.7
145.91499	0.5
149.02370	1.6
149.04381	0.5
150.03177	1.2
151.00308	12.3
151.03943	0.5
152.01099	20.7
153.01828	2.0
153.05461	0.5
160.05211	0.5
161.04526	0.8
163.03915	2.1
164.04692	0.9
165.01895	5.8
165.05525	1.1
169.01425	1.0
175.03899	0.6
175.06133	0.7
177.01991	0.6
178.99825	13.4
179.05556	0.5
180.00212	0.6
183.10262	6.1
186.06818	0.8
187.03961	1.2
188.04771	1.5
191.52354	0.5
192.04286	2.4
193.01492	0.5
199.04062	0.6
199.13309	0.8
207.03024	0.6
207.06636	3.0
211.03989	0.6
214.06326	1.3
215.03519	1.4
216.04285	2.0
217.07126	1.2
227.03532	0.8
229.08781	1.5
230.05803	2.6
231.06705	5.1
245.08156	1.2
249.07802	1.0
255.03082	0.8
255.06570	0.7
256.03809	0.8
257.04584	1.3
258.05374	4.1
259.71643	0.5
270.05505	0.5
271.06088	1.2
273.07773	7.5
274.04892	2.9
275.05374	0.6
284.03442	1.1
285.04047	0.9
289.07248	48.6
290.07578	4.2
299.05710	3.0
299.18536	0.6
301.03500	1.1
317.06732	37.1
317.19785	1.6
318.07285	3.0
347.17072	1.3
369.08334	1.8
389.13242	0.6
445.54016	0.5
461.11295	0.9
479.12061	100.0
479.25165	11.2
480.12357	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	479.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	9.9
61.75582	0.5
61.98715	1.9
63.02294	0.5
64.74909	0.4
65.00221	1.5
71.01272	7.0
71.60229	0.7
71.60573	0.5
72.99196	3.4
73.02843	1.7
75.00777	1.9
79.82330	0.6
83.01267	0.8
85.02845	3.7
87.00780	2.1
88.00350	0.7
88.98712	1.7
89.02326	5.1
96.95920	1.3
99.04387	0.6
101.02354	4.3
104.30146	0.6
107.01277	1.4
108.02110	0.6
109.02856	1.4
111.00816	0.7
113.02369	3.1
118.95363	0.6
119.03396	1.2
121.02890	0.7
124.01597	2.2
125.02354	0.8
129.05495	0.7
131.03439	1.0
136.01546	0.6
137.02374	3.6
137.84612	0.6
138.03154	0.9
139.00259	0.6
147.00731	0.6
148.01617	0.5
149.02364	1.0
149.04532	1.4
150.03180	1.8
151.00313	7.0
151.03964	2.1
152.01086	0.9
160.04030	0.5
161.02385	0.8
161.04471	1.1
163.00346	1.7
163.03934	0.6
164.01111	1.8
165.01909	2.5
165.05496	1.6
167.03456	0.7
169.01321	0.6
177.01781	0.5
178.99809	6.5
179.05635	0.6
181.05110	0.7
181.12292	0.6
193.01274	0.6
195.06493	0.7
199.03894	0.6
199.13353	1.4
203.03400	1.3
204.04205	0.6
214.02689	6.5
215.03409	1.6
227.03549	1.6
231.03035	0.7
242.02206	4.2
243.02982	2.6
245.04555	1.3
253.09593	0.7
255.11314	0.6
257.17712	0.5
259.02548	5.8
260.02722	0.7
269.04422	0.6
270.01761	7.3
271.02527	33.1
272.03091	3.9
273.04037	0.7
285.07840	1.5
287.02057	19.1
287.05344	0.9
288.02548	3.8
299.01968	1.9
299.09341	1.6
299.18658	0.7
315.01367	0.8
316.02295	100.0
317.02939	24.7
317.06796	1.1
317.10223	3.0
317.19818	1.3
318.03363	1.2
347.17075	1.3
461.07300	1.5
461.16214	0.5
461.24112	1.4
479.08395	81.3
479.24951	8.3
480.08890	8.2
480.15723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2951
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
56.22176	0.2
59.01247	0.5
61.98709	0.4
68.89253	0.2
71.10941	0.6
78.95795	13.0
96.85684	0.2
96.95889	0.3
96.96851	0.6
132.02753	0.2
133.05626	0.2
140.01109	1.7
145.40950	0.2
152.99519	2.3
171.00589	1.6
193.40204	0.2
196.03813	1.2
214.04893	2.7
217.00343	0.5
281.24915	100.0
282.25259	10.8
306.03171	0.2
385.07755	0.2
453.70361	0.2
478.29507	18.0
479.29752	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	478.2952
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.01271	0.7
60.19884	0.4
61.98705	0.9
63.00365	0.4
68.11456	0.4
69.65120	2.9
78.95793	100.0
82.88908	0.4
96.96856	7.8
112.59906	0.4
135.28551	0.4
140.01157	0.4
150.97923	0.4
152.99521	17.4
171.00591	22.4
193.75699	0.4
200.09024	0.4
214.04846	0.4
302.85248	0.4
309.35889	0.4
404.25714	1.9
478.29477	64.9
479.29666	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	479.0843
Annotation	Gossypin
Peak:m/z	Relative Intensity
57.03343	0.7
58.43505	0.6
59.00996	1.1
59.01266	12.9
61.98716	1.0
63.02267	0.6
64.99899	0.7
65.00203	2.9
71.01273	4.5
71.37605	1.3
72.99204	1.7
73.02843	1.4
75.00752	0.7
75.36694	0.6
79.55041	0.5
80.74322	0.6
81.03356	0.8
83.01279	1.7
85.02834	1.5
89.02336	3.8
91.00276	1.1
91.26717	0.6
95.01286	2.0
99.00780	1.3
101.02353	3.3
107.01300	1.9
108.02144	0.9
109.02855	5.5
110.00010	4.1
111.00787	3.7
113.02365	2.5
119.03391	1.4
123.00794	3.2
124.01589	2.8
125.02380	1.6
131.03410	1.0
133.02908	0.9
136.98756	1.2
137.02373	1.8
137.99512	1.8
139.00354	4.6
145.02910	0.8
146.03578	0.7
148.01558	1.4
149.02385	1.7
149.04547	0.8
151.00314	6.9
152.01080	2.7
153.01868	1.2
155.04970	0.8
158.03668	0.8
159.04474	1.5
161.02344	1.3
161.04510	0.7
163.00301	3.3
163.04070	0.7
164.01245	3.1
165.98997	4.2
166.25630	0.6
166.99786	4.1
167.10724	1.0
169.01442	1.0
171.04526	1.8
173.02374	0.7
174.03246	0.9
175.03973	1.5
177.01866	0.7
178.99844	7.0
183.04459	1.1
185.02480	1.2
185.11812	3.6
187.03975	2.2
188.04678	0.7
189.01917	0.7
189.05515	0.7
190.99860	0.8
197.02295	0.9
198.03247	1.5
199.03967	3.0
201.01918	1.2
202.02299	1.0
203.03482	2.4
208.00093	0.9
213.01999	1.2
214.02788	3.1
215.03450	3.4
216.04099	1.3
217.01477	0.9
217.04999	1.1
218.02217	1.1
226.02733	1.0
227.03516	4.6
229.01617	0.8
230.02153	0.9
231.03009	2.8
232.03766	0.9
241.01611	1.2
242.02216	4.1
243.03024	7.9
244.03732	1.7
245.00928	1.0
255.03030	3.4
259.02505	3.9
260.03238	0.8
261.03925	0.7
270.01724	5.7
271.02545	26.5
271.05530	1.4
272.03171	5.2
273.04007	3.3
287.02014	11.0
288.02765	5.8
293.08673	0.9
298.01181	2.2
299.02048	24.0
299.09232	0.9
300.02487	2.5
315.01633	1.3
316.02286	38.2
317.03070	27.3
318.03491	1.5
327.91928	0.8
343.06873	1.2
345.22858	1.1
347.17212	8.5
359.03882	0.8
435.09274	1.1
461.07571	2.1
479.08395	100.0
479.21320	3.5
479.32205	1.3
480.08725	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.60371	0.4
60.01599	0.7
61.98720	1.2
70.37735	1.5
71.01278	1.4
73.02832	0.5
73.43500	0.3
85.02827	0.7
87.00776	1.2
89.02345	0.7
92.50387	0.3
98.19870	0.5
101.02369	1.0
113.02351	0.8
118.31335	0.3
121.02898	0.7
133.06538	0.5
136.59671	0.4
138.52409	0.4
151.00352	0.7
152.81456	0.4
161.04495	0.6
169.80901	0.4
243.02988	0.5
271.02637	1.1
272.03403	0.6
287.02130	1.6
300.02823	5.4
301.03302	0.9
315.01550	1.8
315.05310	4.6
316.02304	1.3
330.04037	1.7
331.04605	4.5
359.15338	0.8
375.24380	0.5
417.25131	1.0
433.08011	0.5
441.17987	1.4
477.10181	2.9
478.10739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39750	0.5
59.01263	27.4
60.01618	0.5
61.98712	1.0
64.84978	0.5
69.41087	2.3
69.41509	2.7
71.01264	2.8
73.02825	0.8
80.03211	0.6
83.04914	0.8
85.02850	0.7
93.03389	1.8
99.00743	0.6
101.02352	1.9
113.02338	1.2
127.07562	1.1
137.02379	5.2
149.09682	0.6
167.06857	0.6
179.10699	0.7
181.12297	7.6
183.13863	9.1
184.14221	0.7
201.09106	0.8
202.45117	0.6
203.10487	3.5
209.11873	0.5
217.08476	1.3
219.10068	2.7
221.11613	2.2
223.13171	21.5
224.13445	1.4
227.12833	0.8
233.07985	2.3
235.09560	4.2
237.11098	7.4
239.11389	1.3
241.12834	2.7
249.11104	100.0
250.11388	5.7
265.10754	2.9
267.12436	22.6
268.12619	1.3
281.10428	0.7
283.14056	0.8
314.65106	0.6
324.19934	0.6
389.25632	2.0
405.24817	0.9
407.26440	1.9
415.23608	4.6
417.28952	1.3
433.24454	2.0
435.29382	1.5
459.22455	16.5
460.22763	4.3
477.23462	46.3
478.23608	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	477.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	98.3
60.01607	1.3
61.98714	1.3
69.83862	3.0
69.84283	1.3
70.02957	0.5
70.73123	0.6
71.01270	18.0
72.99194	4.1
73.02834	5.5
75.00767	2.5
78.95794	1.1
81.03336	0.7
83.01273	1.6
85.02836	5.5
87.00790	1.0
88.98689	3.7
89.02335	7.8
96.95910	12.9
96.96879	2.1
97.02869	0.8
98.02369	2.5
98.20580	0.7
98.95541	0.7
99.00813	1.5
101.02352	9.4
103.04005	0.6
108.02086	2.1
113.02338	5.9
115.03970	0.7
119.03409	2.3
121.02880	9.5
123.04441	1.0
125.02381	2.1
131.03444	1.2
133.05048	3.2
133.29063	0.6
135.04416	1.6
138.01900	14.4
138.05519	3.0
143.03438	1.0
149.04509	1.9
157.04980	0.9
159.02902	1.6
161.04500	18.9
166.06306	77.1
167.06659	3.8
179.05615	1.0
181.08659	100.0
182.08998	5.5
205.03603	0.6
235.08246	12.6
236.08592	1.0
271.06326	0.7
287.10367	1.1
293.08810	2.7
299.11719	0.8
343.13193	1.2
417.17596	11.8
418.18045	1.7
477.15674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
57.03336	2.5
58.00475	0.7
59.01266	33.6
60.01600	0.9
61.01658	0.6
61.98721	4.2
67.62050	0.4
68.99690	0.5
69.03348	0.9
70.63177	1.3
71.01274	18.2
72.01590	0.5
72.99201	4.0
73.02840	2.5
75.00767	10.4
81.03367	0.4
83.01279	1.2
83.04923	0.5
85.02842	16.1
87.00781	4.8
87.06146	0.4
89.02343	6.8
91.03897	0.6
93.27769	0.4
95.01295	3.9
97.02781	0.4
99.00780	6.9
101.02350	4.1
103.00287	1.5
111.00771	1.0
111.08054	0.8
113.02364	17.8
114.02691	0.4
115.00266	1.7
117.01855	1.5
119.03416	2.0
129.01828	1.3
131.03427	0.4
139.00371	0.4
143.03500	0.5
157.01402	0.9
161.04506	1.5
165.12810	7.1
175.02435	1.7
179.05582	1.4
183.13875	67.7
184.14214	3.8
193.03548	0.4
205.07167	0.8
209.11893	1.4
227.12914	3.5
239.03549	0.9
240.04297	1.7
249.06190	3.2
254.05835	1.2
255.06615	2.6
267.07281	7.1
301.16663	3.5
307.48495	0.4
315.08823	3.2
399.43616	0.4
415.19754	5.3
417.11853	1.2
417.25159	4.7
433.20911	1.0
435.25836	0.4
459.18747	3.3
477.19876	100.0
478.20145	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	477.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
56.36770	0.3
57.03337	2.0
58.43295	0.3
59.01265	15.7
61.02770	0.3
63.78865	0.3
67.01785	0.7
67.41174	0.3
68.99702	0.7
69.03345	0.9
70.03635	1.9
71.01270	12.9
72.99203	5.0
73.02835	1.8
75.00767	11.2
75.01194	0.5
81.03335	0.4
83.01273	0.8
85.02845	13.6
87.00777	5.1
89.02355	2.9
91.03950	0.5
93.03332	0.6
95.01295	3.5
97.02847	0.4
99.00782	8.0
99.01421	0.4
101.02341	0.6
103.00293	1.0
111.00784	0.5
111.08063	0.9
112.01543	0.4
113.02361	14.1
115.00314	1.8
117.01848	1.5
124.77317	0.4
124.81955	0.3
129.01854	1.1
131.03386	0.5
142.86743	0.3
148.18773	0.3
157.01366	0.9
161.04453	0.8
165.12807	9.2
175.02391	2.3
183.13873	81.7
184.14221	4.8
191.10661	0.3
205.07153	0.4
209.11874	1.2
227.12920	5.4
228.13213	0.4
231.05107	1.1
249.06195	9.3
250.06541	0.4
267.07248	4.5
301.16577	4.1
302.16940	0.4
326.99680	0.3
385.83286	0.3
415.19855	4.9
416.20178	0.4
417.25119	1.3
433.21011	1.0
459.18591	2.1
460.18820	0.4
477.19873	100.0
478.20218	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.1
58.00472	3.8
59.01267	100.0
59.37927	1.2
60.01603	1.6
61.98713	3.2
63.19270	1.0
67.01778	1.1
70.54601	4.0
71.01274	61.7
72.99200	35.7
72.99594	2.2
73.02846	4.7
75.00766	19.2
81.03327	1.1
83.01289	4.5
83.04910	1.5
85.02841	19.6
87.00772	15.6
88.98695	9.2
89.02341	70.8
89.99063	1.2
90.01873	5.0
90.02687	1.9
91.00268	93.3
94.82833	1.0
95.01294	5.2
97.02872	2.3
98.02342	1.1
99.00796	6.5
101.02351	29.7
109.02861	1.7
111.04422	1.3
113.02356	21.6
113.03085	1.7
117.01870	4.1
119.03417	26.5
123.04460	1.8
125.02399	1.1
131.03442	3.4
135.49370	1.0
137.02388	2.3
137.06036	1.3
138.06761	1.2
139.07613	2.4
141.01855	7.2
143.03419	7.1
149.04483	3.2
151.00304	2.2
151.07545	1.2
152.08379	1.6
153.01880	1.7
153.09164	4.9
153.91325	1.0
155.12463	1.0
159.02933	1.7
161.04503	9.9
161.05797	1.8
165.01872	2.4
165.09134	1.6
169.01387	1.3
177.04031	1.6
177.09219	3.9
179.05591	22.5
179.07018	1.1
181.05029	1.4
182.02159	1.6
183.02940	19.4
184.03336	1.2
186.06812	1.2
201.09323	1.2
205.12276	1.7
219.10251	9.5
220.10608	1.1
223.13409	1.9
227.12961	1.2
237.11319	2.5
258.65390	1.1
279.13022	1.1
339.87537	1.1
417.25082	1.6
433.17487	1.7
435.11490	1.3
477.12445	5.5
477.19919	6.0
478.12756	1.5
478.19952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03346	1.1
58.00480	1.1
59.01267	100.0
60.01603	9.5
61.01689	5.9
61.98713	1.1
69.03344	1.7
69.61697	1.2
69.62122	2.0
71.01271	22.7
72.99202	1.4
73.02835	3.3
75.00771	1.1
81.03349	1.1
83.01292	2.0
85.02840	5.3
87.00797	1.2
89.02343	18.4
93.03354	0.7
95.01298	1.3
97.02847	4.0
98.19817	0.9
99.00790	1.5
99.04364	0.5
101.02361	7.5
106.04148	1.3
107.04935	5.6
108.02109	1.3
111.00772	0.5
113.02365	5.2
119.03421	1.4
120.30431	0.4
121.02853	1.3
123.00813	1.4
123.04429	1.7
123.90520	0.5
124.01583	3.4
125.02372	7.2
131.03450	3.6
133.02925	0.6
135.04453	17.0
137.06009	0.8
139.03935	0.9
143.03380	0.7
147.04453	1.4
148.05266	0.4
149.04524	4.5
149.06035	7.2
150.03130	0.8
151.00320	1.8
161.04514	1.4
165.05542	9.7
166.02707	0.6
174.05547	0.7
178.99796	0.9
183.06621	1.0
191.05600	2.1
203.03506	0.5
213.02065	0.5
215.03439	1.1
227.03539	0.5
231.02983	0.6
233.06679	1.5
241.01428	0.9
242.02194	1.4
243.03027	1.4
255.16017	3.0
258.01767	1.5
259.02545	2.6
269.00800	1.0
270.01913	1.0
271.02512	3.3
272.03262	1.0
273.04153	1.3
285.04150	1.8
286.01395	2.5
286.04245	0.8
287.02103	5.2
287.05127	0.9
288.02527	0.5
293.08911	4.3
299.02112	0.8
300.02838	7.0
301.03510	5.3
314.04376	4.3
315.01520	4.9
315.05185	8.1
315.08588	0.9
316.02338	3.5
329.02863	0.5
330.03857	10.9
331.04608	10.1
332.05136	0.8
344.05539	1.9
345.05933	0.6
347.16962	0.7
387.15649	1.7
391.99329	0.5
417.25003	0.9
433.21182	0.8
477.10483	29.7
477.16833	1.4
477.25043	0.8
477.30853	2.2
478.10919	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.6
59.01267	3.7
65.00208	0.8
69.31334	0.7
69.31732	3.2
71.01258	0.9
83.01279	1.2
85.02838	0.7
89.02322	0.5
101.02362	0.3
102.75114	0.3
107.01283	1.4
107.48125	0.3
113.02297	0.4
124.01572	0.6
125.02367	3.8
130.62695	0.3
135.00845	0.3
143.04924	0.4
151.00305	7.1
157.02936	0.3
163.00302	0.7
169.01410	1.2
171.04453	0.5
175.04056	0.6
178.99832	1.8
187.03922	0.9
190.99792	0.5
199.03941	2.4
201.01910	1.3
203.03494	1.6
214.02600	0.8
215.03470	3.8
226.02698	0.7
227.03503	3.0
229.01355	0.7
231.02881	1.9
242.02203	6.3
243.03017	29.7
244.03419	2.1
255.03067	0.4
257.04593	7.4
258.04929	0.6
259.02515	3.7
262.95947	0.3
269.98972	0.6
270.01752	8.4
271.02524	33.1
272.02936	2.1
285.04111	17.6
285.06982	0.3
286.01462	0.4
286.04779	5.3
287.02063	7.3
287.05103	0.4
288.02414	0.7
298.98724	0.5
299.01999	6.2
299.05325	0.4
300.02823	3.8
301.03253	0.5
313.03668	0.5
314.04385	34.2
315.01465	12.9
315.05026	7.6
316.02261	5.0
316.05756	0.6
317.02521	0.4
330.03882	16.3
331.04617	18.5
332.05038	1.5
357.06122	1.0
477.10477	100.0
478.10815	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	477.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	16.5
61.01679	0.5
61.98717	1.5
70.73653	1.3
70.82241	0.4
71.01268	5.0
73.02843	1.7
83.01267	0.5
85.02855	1.8
87.00780	0.8
89.02332	3.4
101.02345	3.7
113.02338	2.2
119.03428	0.6
121.02887	1.0
131.03427	0.6
147.04462	0.4
149.02383	0.6
149.04434	0.8
150.42747	0.4
151.00343	0.9
161.02296	0.5
161.04501	0.6
164.35619	0.4
177.02068	0.4
191.05748	0.4
193.05040	0.7
199.03967	0.8
203.03383	0.5
213.05573	0.5
227.03560	0.6
229.05113	1.3
241.05104	0.9
243.02977	0.8
257.04602	3.3
258.05283	0.5
268.03860	0.5
269.04489	0.5
271.02533	57.6
272.02957	6.3
272.06961	3.2
285.04193	0.9
287.09335	1.4
299.02020	58.9
300.02759	38.6
301.03387	5.7
313.03531	3.1
314.04373	13.8
315.05209	69.3
315.08804	9.1
316.05557	5.6
316.09033	0.8
329.03146	7.2
343.04623	1.2
345.10916	1.1
357.06287	0.6
417.24933	1.5
433.20673	1.0
462.08142	17.7
463.08679	2.6
473.99069	0.4
477.10458	100.0
478.10788	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	477.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01801	0.2
54.63006	0.2
54.63711	0.2
57.03314	0.2
59.01262	3.1
61.98701	0.5
62.71200	0.2
65.00200	0.4
68.99465	0.2
71.01272	0.6
71.16047	0.3
71.16386	0.3
73.02814	0.3
80.37713	0.2
81.61852	0.2
83.01286	0.6
85.02833	0.5
89.02325	0.7
101.02347	0.5
107.01311	0.8
113.02355	0.5
123.10636	0.2
125.02352	0.3
137.56555	0.2
145.02917	0.3
148.01591	0.3
151.00316	2.8
152.00832	0.2
153.01889	0.3
155.04924	0.2
159.04466	0.2
161.02292	0.3
161.04547	0.4
163.00371	0.3
164.01146	0.3
169.01300	0.4
171.04453	0.7
175.02521	0.2
175.03987	0.3
178.99855	0.5
187.04027	0.4
197.02548	0.4
199.03996	3.8
201.01942	1.5
202.02586	0.2
203.03592	0.4
203.10681	0.2
204.04190	0.3
205.05087	0.3
215.03505	3.5
216.03850	0.4
225.01929	0.6
226.02713	0.8
227.03510	4.2
229.01450	0.4
229.26393	0.2
242.02246	9.4
243.03020	41.4
244.03371	3.3
255.03044	1.2
257.04605	12.0
258.05051	0.9
270.01764	10.5
271.02533	41.1
272.02881	3.7
283.02658	0.2
285.04123	20.5
286.04782	7.3
287.05255	0.5
299.02063	8.2
300.02792	6.6
301.03287	0.5
314.04385	45.6
315.05048	11.0
315.08990	0.3
316.05557	0.7
316.94705	0.2
349.82620	0.2
357.06265	0.9
360.55634	0.2
433.21024	0.3
477.10474	100.0
478.10837	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	476.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
70.64581	0.2
70.64923	0.5
78.95795	18.4
96.96877	1.2
97.40330	0.1
99.07565	0.1
122.00014	0.3
140.01109	2.5
152.99533	3.3
170.99249	0.2
171.00597	2.8
196.03804	1.3
214.04848	3.2
239.16467	0.3
261.22531	0.2
279.23346	100.0
280.23694	9.2
280.26822	0.4
411.71063	0.2
414.34735	0.5
446.33389	0.4
475.34344	0.7
476.27985	20.2
476.34616	2.1
477.28406	2.7
477.35104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05980	0.3
59.01260	1.1
62.96294	0.5
69.34669	4.1
78.95795	87.1
80.94639	0.4
84.05030	0.4
94.77581	0.4
96.96864	5.5
119.04158	0.4
122.00056	1.0
140.01125	5.7
150.97920	0.4
152.99524	12.6
164.66136	0.4
171.00592	13.6
196.03787	11.7
214.04866	3.3
218.02536	0.4
241.80124	0.4
279.23346	100.0
280.23694	9.4
402.24063	1.3
476.27921	76.9
477.28177	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	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	0.2
59.01264	100.0
60.01608	1.2
69.58763	1.4
70.98403	0.2
71.01270	1.4
72.99201	0.2
73.02865	0.3
83.01315	0.2
85.02866	0.3
89.02353	0.7
99.00778	0.2
101.02345	0.5
113.02365	0.6
115.03091	0.2
121.71719	0.2
177.90787	0.2
178.59875	0.2
179.05551	0.2
179.90698	0.2
373.22549	0.4
415.23431	1.2
433.24789	0.4
475.26151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86853	0.2
54.16986	0.2
57.03321	0.2
59.01267	100.0
60.01600	0.9
71.01274	1.2
71.59462	0.3
73.02481	0.2
73.02851	0.6
89.02341	1.3
97.19762	0.2
100.69199	0.2
101.02333	0.5
121.02919	0.3
125.02388	0.3
133.06531	0.4
140.63373	0.2
149.04559	0.3
161.04468	0.4
332.94855	0.2
351.65692	0.2
382.34055	0.2
415.23560	0.6
476.17010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3438
Annotation	Oogoniol
Peak:m/z	Relative Intensity
57.03338	0.2
59.01262	2.6
61.98709	0.4
64.47646	0.3
65.99117	0.2
68.03963	0.2
70.05918	0.5
70.06323	0.9
71.04908	3.6
78.95792	18.4
96.96851	1.5
109.06477	0.5
121.06547	0.3
135.81102	0.2
139.11177	0.7
152.99544	3.5
165.59972	0.2
171.00604	4.1
177.16148	0.2
207.40182	0.3
208.59782	0.2
239.16556	4.6
240.16798	0.4
279.23340	0.7
312.87396	0.3
326.99088	0.2
339.27130	0.3
341.57312	0.3
379.30444	0.3
381.28049	0.6
393.27731	0.4
393.32037	0.5
395.29416	2.3
396.29977	0.5
397.25888	0.3
397.31171	5.1
398.31601	0.7
402.24576	0.3
409.31256	2.3
410.31387	0.4
411.32767	5.9
412.33057	1.0
413.34332	27.1
414.34668	5.0
427.32376	1.5
431.35440	4.7
432.35681	0.5
445.33316	19.6
446.33759	3.3
457.33356	2.5
475.34369	100.0
476.27884	13.1
476.34744	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59687	0.3
53.08482	0.3
55.96696	0.3
57.03341	0.7
59.01264	100.0
60.01603	1.4
61.98723	1.7
68.22031	0.3
69.77904	0.3
71.01268	4.7
71.04022	0.7
73.02844	1.6
75.00753	0.7
85.02826	1.4
87.00771	0.8
89.02345	1.8
90.36403	0.3
95.01326	0.3
95.90373	0.3
96.95935	0.5
99.00774	0.7
101.02342	3.0
101.05994	0.3
105.83088	0.3
113.02351	2.6
119.03473	0.9
120.11326	0.3
136.27167	0.3
137.02357	0.4
161.04529	1.3
179.05676	0.4
189.79347	0.3
194.53363	0.4
195.13866	0.8
218.03098	0.3
225.47499	0.3
235.08261	0.5
249.06104	0.3
253.09314	0.5
253.18150	2.3
292.06839	0.4
295.19113	0.4
373.22482	1.0
379.96255	0.3
415.23215	2.6
475.27884	1.3
475.68835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	35.9
61.98730	4.6
71.01287	3.3
71.49284	2.8
71.49643	3.3
73.36802	2.3
73.68082	2.2
78.95815	3.5
107.26801	1.9
119.50094	2.0
121.02962	3.1
149.06091	4.0
170.60922	2.3
205.16037	4.4
207.17593	3.9
257.90732	2.5
277.21909	3.5
279.23557	2.6
296.18185	2.3
350.72107	2.4
393.17526	5.3
431.31552	4.8
475.34720	100.0
476.28558	2.5
476.35107	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	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.52521	0.3
60.01601	1.3
61.98722	0.7
70.50500	0.8
71.01273	4.7
73.02845	1.0
83.01295	1.0
85.02843	1.0
89.02332	3.4
101.00620	0.3
101.02341	3.8
113.02347	2.3
119.03349	1.6
160.03981	0.3
161.04536	1.8
177.12834	1.7
179.05577	0.7
195.13884	22.6
196.14252	1.5
203.10750	0.5
212.65529	0.3
221.11790	0.5
235.08157	0.3
239.12888	2.4
253.09373	1.0
355.21292	1.1
373.22385	3.1
415.23398	7.3
416.23654	0.9
431.15619	0.4
435.54373	0.3
460.97305	0.4
472.92166	0.4
475.21915	22.1
476.22198	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	475.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.1
59.01264	100.0
60.01593	1.0
70.71544	0.4
70.71873	0.9
71.01273	4.5
72.99184	0.5
73.02847	1.1
75.00725	0.4
79.42424	0.4
80.20649	0.3
83.01302	0.5
83.04923	1.0
85.02847	2.6
87.00793	0.4
89.02348	2.0
93.03368	0.4
94.13532	0.4
95.04929	0.7
97.06505	2.3
99.00729	0.4
101.02329	3.2
106.04162	0.8
107.04932	0.6
109.02886	0.9
109.06546	0.5
111.08041	0.4
113.02340	4.0
119.02673	0.4
119.03423	1.4
119.82521	0.4
121.10178	0.5
125.02422	0.4
137.02371	0.7
143.03398	0.4
149.06020	0.6
149.09663	0.5
159.11694	2.2
161.04510	1.5
175.11328	0.7
177.01878	0.4
177.12808	19.2
178.13179	1.5
179.14377	0.5
203.10744	5.9
217.01456	1.3
221.11830	10.4
222.12231	0.7
239.12910	1.5
247.36179	0.3
249.61269	0.4
253.14491	49.3
254.14769	2.6
267.16013	1.9
295.15414	1.7
325.16495	0.5
415.27408	0.9
431.15378	0.5
431.32315	2.0
433.28113	1.2
445.99329	0.4
453.72067	0.4
475.10587	1.1
475.25812	0.5
475.31512	3.5
476.23849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
57.03343	1.0
58.00476	0.4
59.01263	24.7
60.01600	0.3
61.98722	0.5
65.34518	0.2
69.03349	0.4
71.01270	8.1
72.48302	0.2
72.99204	0.4
73.02834	2.1
74.02370	0.2
75.00761	0.3
81.03353	0.3
83.01270	1.1
83.04920	0.6
85.02843	2.5
87.00771	1.2
89.02337	6.1
91.03914	0.3
93.03368	0.2
95.01289	0.6
95.04953	0.2
97.02869	0.3
97.06490	0.8
99.00791	0.3
101.02345	7.3
103.03928	0.2
106.04137	0.2
107.04954	0.2
109.06499	0.3
111.08070	0.3
112.03399	0.2
113.02354	3.9
115.03935	0.2
119.03409	1.6
121.10139	0.3
123.08067	0.2
125.02370	0.3
131.03418	0.4
143.03459	0.7
149.04518	0.2
149.09644	0.2
159.11740	1.0
161.04497	2.7
165.12805	1.9
175.11208	0.4
177.12807	10.7
178.13148	0.8
179.05592	0.7
183.13876	4.0
183.15407	0.3
184.14200	0.2
195.13879	100.0
196.14217	5.9
196.16017	0.3
198.94928	0.2
203.10747	0.5
207.13760	0.2
209.11731	0.2
221.11818	2.2
227.12901	5.8
228.13220	0.5
229.64586	0.2
235.08276	1.0
239.12907	10.3
240.13280	0.5
251.12874	0.6
253.09323	7.4
253.14526	0.3
253.18102	0.3
254.09737	0.3
265.29712	0.2
271.09857	0.4
295.22876	0.2
313.16632	0.5
415.23477	1.5
433.24573	0.4
475.21909	92.5
476.22269	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	474.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86943	0.2
59.01265	2.0
59.12305	0.1
59.52297	0.1
60.91159	0.2
61.98717	0.2
71.01268	0.4
71.49223	0.3
71.49583	0.3
78.95794	32.4
84.60828	0.1
96.20631	0.2
96.96876	2.3
122.00046	0.3
140.01114	2.5
141.21661	0.2
152.99536	5.5
171.00594	4.9
196.03792	1.5
204.12849	0.2
214.04887	3.4
233.22873	0.2
259.20801	0.3
275.20197	0.5
277.21771	100.0
278.22125	10.3
400.22650	0.4
472.11261	0.2
474.26373	25.8
475.26227	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	475.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	11.3
71.01270	9.1
71.33944	0.5
72.99194	3.8
73.02840	1.4
75.00745	0.5
83.01310	0.5
83.09061	0.3
84.00816	0.5
85.02850	2.6
85.90616	0.3
86.02380	0.9
87.00791	1.0
89.02341	9.0
90.02772	0.3
90.15125	0.4
96.95853	0.3
97.02885	0.5
101.02346	4.6
111.54715	0.4
113.02397	1.5
119.03417	0.6
121.02876	100.0
122.03210	3.0
125.02376	2.3
131.03441	2.9
135.04477	0.8
143.03455	0.4
149.04526	5.3
151.00285	0.4
151.03946	0.4
161.04462	0.4
163.04059	0.3
166.02711	2.0
166.06325	0.6
181.05025	2.4
181.08684	0.7
191.05649	1.5
225.07692	0.7
233.06700	0.8
269.10425	0.4
278.21323	0.4
293.08829	7.6
294.09244	0.5
343.14133	1.2
415.12714	3.1
415.18991	0.5
423.66498	0.3
475.13629	0.5
475.18365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37719	1.9
54.78711	2.0
57.03327	4.0
59.01264	100.0
60.99161	1.8
61.98705	3.3
69.03332	1.8
69.61296	16.6
71.00904	3.4
71.01270	45.2
72.99194	3.3
73.02843	11.3
75.00745	3.2
83.01260	5.9
85.02840	16.8
86.34267	1.8
87.00773	10.8
88.44108	1.8
88.98689	17.8
89.02338	29.8
89.25140	1.9
93.03370	3.0
95.01266	2.7
96.95885	2.0
98.20588	2.0
99.00808	4.8
99.76248	1.9
101.02347	29.7
105.79552	2.2
108.39763	2.1
109.02848	2.2
113.02361	19.4
119.03398	8.8
125.02315	2.7
131.03430	7.4
137.02333	4.3
137.15036	2.4
143.03506	3.6
149.04518	10.2
151.00259	2.6
161.04498	10.4
164.04742	25.3
168.00623	2.9
169.01350	4.1
179.05560	4.9
179.07083	44.6
180.07504	2.8
191.98424	2.0
193.01422	2.6
199.13495	2.2
205.05186	2.9
217.01187	2.0
221.00890	2.2
233.04655	3.3
253.14607	4.3
283.11929	24.4
353.53741	2.1
355.08170	4.0
415.16043	28.1
415.23303	8.4
416.16245	4.0
431.18799	5.2
475.10828	7.4
475.21921	8.9
476.21506	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	475.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03335	2.9
58.00476	3.0
59.01266	93.4
60.01590	1.4
60.99190	10.0
61.98705	1.4
63.13390	1.1
69.03307	1.4
69.46185	9.9
71.01273	62.5
72.99202	6.7
73.02833	13.4
75.00741	2.0
76.40224	1.1
83.01283	6.9
85.02841	17.6
87.00788	9.4
87.25832	0.9
88.00285	6.1
88.98703	100.0
89.02338	85.6
89.02920	1.9
89.99064	1.3
90.01874	2.3
95.01260	1.6
96.95871	1.4
97.02855	1.5
98.19855	2.2
99.00772	6.8
99.04427	1.4
101.02342	50.3
113.02359	21.8
115.03903	1.2
119.03449	6.8
123.04426	4.1
125.02382	4.1
131.03424	27.0
143.03410	2.5
149.04501	57.7
149.05931	5.5
150.04697	1.5
150.06377	1.8
151.06628	1.3
159.02913	2.9
161.04510	17.8
167.03461	10.6
179.05524	2.5
191.05576	11.4
192.05869	1.3
253.14566	1.2
269.04654	1.4
283.11926	42.1
284.12253	4.5
311.09680	1.6
345.10883	1.9
415.16159	52.5
416.16583	6.0
431.18906	2.3
475.13626	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3648
Annotation	Myrrhanol B
Peak:m/z	Relative Intensity
52.05070	0.5
56.26715	0.4
57.03327	2.0
59.01266	1.0
60.99193	6.7
71.56887	0.4
71.57307	0.7
129.73404	0.5
137.09572	0.6
149.09602	0.7
161.59357	0.4
177.38750	0.4
205.16005	1.3
253.40782	0.5
355.30246	1.7
381.28116	2.9
393.31729	0.6
409.34833	32.7
410.35138	5.8
411.36450	1.3
423.33038	0.7
429.37900	0.8
439.32507	2.8
455.35330	5.3
456.35513	0.9
457.25275	0.7
473.28784	4.4
473.36496	100.0
474.29407	1.0
474.36819	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	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21668	0.2
50.36827	0.2
51.52678	0.2
59.01260	3.2
59.12734	0.3
61.98716	0.5
62.96289	0.2
68.26681	0.2
70.82037	0.6
70.82359	0.2
71.01284	0.5
78.95792	24.7
96.96847	0.3
97.06453	0.3
104.64572	0.3
122.00047	0.9
122.61022	0.3
124.88343	0.2
129.57071	0.2
134.98509	0.3
140.01117	6.3
152.99506	2.5
154.70395	0.2
166.02725	0.4
178.51970	0.2
184.89839	0.2
196.03764	12.7
205.19514	0.3
214.04840	3.4
233.22849	0.6
259.20685	0.4
275.20010	0.4
277.21765	100.0
278.22110	10.3
336.28625	0.2
474.26321	36.2
475.26355	5.0
475.34808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60513	0.2
57.03334	0.3
59.01259	2.8
60.99193	1.2
61.98719	0.2
64.65883	0.2
68.55237	0.2
71.04920	1.1
71.08923	0.4
71.09269	0.3
75.62174	0.2
78.50391	0.2
83.04924	0.5
212.17174	0.2
336.86020	0.2
393.31839	0.8
395.29504	0.7
397.30850	1.1
409.29782	0.4
409.34894	6.6
410.35150	1.0
411.32706	2.3
412.33459	0.3
413.34354	5.2
414.35022	0.7
427.36057	0.5
429.37457	27.7
430.37885	4.0
445.33304	2.3
446.33640	0.5
455.31787	0.7
457.33438	0.5
473.36560	100.0
474.36896	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68945	0.2
55.29646	0.2
59.01255	1.8
61.98721	0.3
66.43268	0.2
71.61454	0.4
82.82198	0.2
120.67196	0.2
121.06517	0.3
124.01952	0.2
221.19089	1.6
222.19295	0.2
253.09895	0.2
259.16858	0.3
261.18613	2.5
262.18958	0.2
270.10703	0.2
277.21802	0.3
315.76285	0.2
344.59045	0.2
411.32758	0.3
413.34357	0.3
427.36325	0.4
428.37369	0.3
429.37546	0.8
439.32562	0.3
473.36530	100.0
474.36838	16.2
474.43784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3646
Annotation	CHEMBL1651033
Peak:m/z	Relative Intensity
59.01261	1.2
59.98428	0.3
60.39421	0.2
71.59416	0.2
71.59753	0.4
75.36680	0.2
78.48931	0.2
78.95789	0.3
89.02370	0.3
97.52386	0.2
106.63052	0.3
134.04649	0.6
168.14886	0.2
189.12778	1.1
191.14380	2.3
194.23332	0.2
205.15994	2.7
206.16264	0.3
207.17540	8.2
208.17908	0.5
219.17526	0.4
231.21216	0.2
265.18130	13.6
266.18497	0.9
267.19705	4.0
268.20071	0.4
409.34637	0.4
413.34332	1.0
429.37494	16.5
430.37924	2.6
455.32416	0.3
473.36517	100.0
474.36871	16.3
496.97830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15057	0.2
57.03329	0.4
58.00494	0.4
59.01264	100.0
60.01595	1.2
61.98716	0.7
67.53420	0.3
71.01270	6.0
71.55106	0.2
72.99191	0.5
73.02835	1.2
74.28995	0.2
75.00775	0.9
82.53719	0.3
83.01289	0.6
85.02844	2.1
87.00755	1.1
87.04420	0.3
89.02339	3.2
93.03372	0.3
95.01276	0.3
96.31411	0.2
97.02851	0.3
99.00802	0.9
101.02356	2.7
107.04908	0.3
109.02885	0.3
111.40410	0.3
113.02359	3.0
119.03426	0.6
121.02991	0.2
123.56385	0.2
125.02397	0.8
128.25012	0.2
131.03447	0.7
133.06538	1.5
135.04485	0.4
136.13774	0.2
143.03448	0.2
147.04475	0.3
149.04512	0.8
161.04529	1.0
163.11218	1.1
165.05481	1.1
178.05170	0.2
179.05592	0.5
179.10757	0.5
180.06581	0.3
199.99217	0.2
205.12440	0.2
207.10251	2.2
249.06203	0.9
255.03073	0.4
260.41623	0.2
267.07285	1.9
293.08932	2.1
371.20837	0.4
404.16330	0.2
413.21851	1.8
429.17963	1.2
431.22986	0.3
473.10574	0.5
473.16992	2.2
473.24390	1.0
474.10831	0.3
474.17355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3285
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01263	3.5
69.50002	5.1
71.01260	0.8
73.54491	0.6
78.81695	0.6
78.95803	0.9
81.25753	0.5
87.04391	1.1
94.87982	0.6
103.77281	0.5
134.04631	1.1
154.20708	0.6
175.11115	0.6
209.42542	0.7
273.48602	0.6
353.28619	3.6
354.28741	0.8
367.30002	3.6
369.31680	1.1
369.83044	0.7
370.09366	0.7
371.65457	0.8
383.29327	1.7
429.33792	21.7
430.34085	3.4
455.31747	16.0
456.31879	2.3
473.32596	100.0
474.32941	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	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17620	0.2
58.12423	0.2
59.01265	100.0
60.01603	1.4
61.98719	0.3
70.74004	0.8
71.01291	1.3
73.02846	0.4
85.02852	0.6
89.02343	0.4
99.50827	0.2
101.02369	0.7
106.28248	0.2
113.02385	0.7
117.60783	0.2
127.76681	0.2
131.87016	0.2
134.03641	0.2
161.04488	0.5
167.17505	0.2
182.18082	0.2
193.05052	0.4
193.12328	0.3
218.02934	0.2
253.05223	0.3
268.07639	0.2
269.04761	0.5
269.08124	0.3
287.58734	0.2
376.10272	0.3
413.21609	0.4
420.19794	0.2
423.86368	0.2
468.74982	0.2
473.24368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36111	0.1
59.01265	100.0
59.36664	0.1
60.01599	1.1
61.98746	0.2
69.35103	1.5
70.27704	0.1
71.01278	0.9
71.85056	0.1
73.02847	0.3
83.01289	0.1
85.02837	0.4
89.02328	0.2
101.02328	0.8
113.02380	0.5
132.82681	0.1
157.62814	0.1
159.36816	0.1
161.04515	0.4
190.02602	0.2
371.20776	0.7
413.22012	0.4
473.24011	0.7
483.51297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01603	1.0
61.98733	0.5
69.76680	0.2
71.01280	0.5
71.56054	0.4
79.27924	0.2
82.88343	0.2
99.82734	0.2
141.99257	0.2
173.47156	0.2
181.03348	0.2
204.68790	0.2
205.73994	0.2
217.00331	0.7
243.43622	0.2
353.28864	0.3
369.67639	0.3
425.48273	0.2
429.30096	0.3
473.19614	0.3
473.28363	0.8
473.34006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83521	0.2
59.01263	100.0
60.01600	1.0
61.94202	0.1
61.98701	0.3
70.01894	0.8
71.01266	1.8
72.99203	0.2
73.02844	0.5
77.58395	0.2
85.02856	0.6
87.00782	0.3
89.02352	0.7
100.59859	0.2
101.02340	1.2
106.07189	0.2
113.02386	0.7
119.03439	0.3
121.02904	0.5
122.37127	0.2
137.09674	0.3
138.10008	0.2
139.36528	0.2
161.04559	0.5
187.26012	0.2
209.11836	0.3
209.15384	0.4
233.15512	0.4
304.45322	0.2
353.20282	0.2
371.20920	0.7
401.08929	0.4
413.21964	1.5
414.21625	0.2
440.18338	0.2
473.19580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3491
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
57.03354	0.6
59.01263	1.6
61.98686	0.5
69.98168	2.8
97.06515	0.7
135.88445	0.5
137.09695	1.1
137.74812	0.4
189.12862	1.6
191.14360	3.8
205.15964	3.3
207.17538	10.1
208.17896	0.7
219.17514	1.2
263.16589	7.8
264.17032	0.6
265.18082	2.2
335.33319	3.2
336.33401	0.5
349.16867	0.5
379.32083	1.3
397.33521	3.3
409.35211	0.7
411.32907	1.0
427.35913	17.8
428.36237	3.0
453.33859	0.8
456.86258	0.6
471.34949	100.0
472.35309	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	473.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64590	0.7
57.03333	2.9
58.00476	1.2
59.01266	27.1
61.98719	2.2
62.51236	0.7
65.22128	0.8
67.01761	1.2
68.99705	2.7
69.03351	2.3
71.01270	29.4
71.09159	2.1
72.99200	7.7
73.02855	3.0
75.00763	23.0
83.01295	1.4
85.02843	27.7
86.02382	2.1
86.03195	1.0
87.00771	18.6
88.00311	3.2
88.98711	2.3
89.02338	9.9
91.03926	1.1
93.03373	1.7
95.01276	6.0
97.02815	0.8
99.00778	13.8
101.02357	2.3
103.00293	3.4
111.00826	1.7
113.02361	37.7
114.02692	1.0
115.00307	2.1
116.92802	1.0
117.01839	4.1
117.03391	3.0
119.05026	1.2
121.02865	8.6
129.01888	3.4
131.03448	0.8
135.04478	2.6
137.02350	0.9
139.00362	1.2
147.04436	4.5
149.02383	59.0
150.03127	3.6
161.02568	1.2
161.04541	0.8
163.04036	2.1
164.04747	46.9
165.05257	2.6
175.00391	2.3
175.02470	2.8
175.03888	1.0
176.01109	2.2
177.05577	1.0
179.03479	3.8
179.05650	1.5
179.07045	4.9
190.02670	4.4
191.03467	4.3
192.53065	0.8
205.05022	7.1
207.05125	2.1
209.04587	2.6
223.06122	33.2
224.06519	1.7
231.05083	1.9
237.81969	0.9
249.06186	33.9
250.06532	1.3
255.57915	1.1
267.07278	100.0
267.66046	1.0
268.03992	1.1
268.07703	5.9
269.04688	3.4
282.07724	1.3
283.08368	1.0
295.06223	1.2
297.07281	7.3
297.10605	1.4
298.04929	2.4
299.05017	0.7
309.38370	0.7
323.05624	1.1
325.07260	3.8
327.05383	1.0
353.06760	15.3
354.06976	1.5
365.06903	1.0
383.07910	3.3
413.09262	1.4
413.22275	1.1
429.18097	1.6
441.10193	1.1
455.11981	4.5
473.12982	85.8
474.13483	11.6
490.86270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3124
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
50.47914	0.7
57.03304	1.4
58.44785	0.6
59.01259	2.9
71.09904	1.3
71.42118	0.6
87.04412	31.9
88.04727	0.7
107.99989	0.6
116.67854	0.6
131.03374	0.9
139.22095	0.7
283.24197	1.7
285.62155	0.6
309.22089	2.1
311.20218	8.5
312.20340	1.1
323.23776	1.2
327.23364	6.3
339.26956	23.2
340.27078	2.3
349.29001	0.6
360.35880	0.7
365.32169	1.1
367.30127	3.6
381.31668	1.0
391.30154	3.4
409.31189	47.3
410.31467	6.0
411.28738	0.9
412.56018	0.7
427.32227	42.0
428.32474	5.2
453.30157	19.9
454.30066	2.5
471.30850	100.0
472.31238	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	471.349
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
56.93473	0.8
57.03330	1.3
59.01261	5.4
61.98713	1.4
70.46564	0.7
71.04919	1.3
83.04950	1.1
83.69877	0.7
85.06509	0.8
97.06499	1.1
103.86259	0.8
109.68273	0.8
137.09726	0.9
139.11307	0.9
166.06528	0.7
182.36549	0.8
203.14476	0.9
205.15915	0.9
311.82300	1.0
395.29544	1.5
406.32666	0.8
409.35080	5.2
410.35611	1.1
411.32861	4.9
412.33020	1.5
427.36295	24.8
428.36572	4.3
443.32071	2.5
444.32632	0.7
471.35165	100.0
471.91895	0.8
472.35458	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	471.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.2
57.03320	0.4
59.01266	100.0
60.01600	1.1
61.98718	0.8
61.98989	0.1
69.65880	0.3
69.66286	0.9
71.01271	4.8
71.04827	0.1
72.99206	0.6
73.02839	3.9
75.00764	0.4
83.01283	1.3
84.60931	0.2
85.02847	1.1
87.00775	0.8
89.02345	1.8
89.09253	0.1
92.08604	0.1
95.01267	0.2
99.00773	0.3
99.04457	0.2
101.02346	4.6
113.02352	2.6
119.03407	0.7
121.06490	0.2
125.02387	0.2
131.03403	0.7
137.09644	0.6
143.03412	0.7
148.05206	0.8
149.04532	0.9
149.05946	0.2
161.04530	1.7
161.13426	0.2
163.07599	0.5
177.05510	0.3
179.05611	0.3
189.12787	0.2
194.04373	0.1
205.05280	0.2
205.12373	0.3
211.23077	0.1
221.06793	0.4
225.07797	0.3
249.11378	0.5
263.12766	0.2
271.09839	0.3
400.44254	0.1
411.20734	0.4
471.22699	0.4
471.35141	0.4
498.92816	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.9
59.01265	26.4
61.43174	1.3
70.47109	2.1
71.01271	28.1
71.01665	1.4
72.99201	3.3
73.02847	2.8
75.00767	1.9
83.01276	3.7
85.02842	8.1
87.00746	3.0
89.02338	28.2
89.61529	1.0
96.12864	1.1
96.26568	1.0
99.00774	6.2
100.52071	1.1
101.02342	18.1
111.00787	5.3
112.98720	24.8
113.02351	11.0
115.00252	3.1
119.03419	13.7
129.01857	11.4
131.03418	1.3
131.08972	1.3
133.44591	1.1
135.06558	11.3
142.99776	5.8
143.03438	3.4
145.01347	3.5
149.04482	2.5
161.04514	7.5
173.00854	12.4
174.07738	1.4
175.02382	1.4
179.05580	13.8
191.01901	4.7
297.11975	100.0
298.12262	4.9
471.34537	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	469.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21024	1.2
55.01765	4.6
57.03336	4.3
58.00478	3.0
58.58160	1.3
59.01266	60.3
61.98714	6.1
69.83463	8.4
69.90073	1.3
70.68166	1.4
71.01274	72.8
72.99200	4.2
73.02839	16.7
73.03214	2.0
75.00765	2.9
77.47266	1.2
78.95798	8.5
83.01278	10.1
85.02851	29.1
87.00775	4.1
88.98708	1.7
89.02340	51.6
95.01286	3.2
96.95928	1.9
97.06483	1.6
98.20536	3.0
98.78226	1.4
99.00780	8.4
101.02349	51.6
102.02708	1.6
108.02100	2.1
111.00770	2.4
113.02362	27.0
119.03438	10.1
125.02342	4.7
129.01880	2.1
131.03438	7.3
134.37590	1.3
138.01924	7.7
143.03462	4.9
148.05174	1.7
149.04492	8.8
159.02939	4.4
161.04492	21.2
175.03891	2.1
191.05603	3.1
195.06567	2.0
233.06659	2.2
244.93794	1.3
246.92104	1.2
274.82022	1.4
277.12985	88.4
278.13382	8.2
289.07233	1.6
293.08838	3.1
384.27707	1.3
397.16681	1.7
409.17245	100.0
410.17572	11.1
469.18454	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	470.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31461	2.1
59.01266	95.2
61.98710	7.0
69.03345	7.1
71.01272	100.0
71.62061	2.9
72.00794	4.0
72.01641	2.5
72.99198	5.4
73.02818	11.7
75.00769	2.7
81.03357	4.7
83.01281	6.6
84.00795	3.9
85.02844	16.6
86.02380	6.9
87.00772	13.3
89.02341	90.3
95.01324	5.2
96.00826	2.3
97.02869	9.0
98.02375	4.3
98.29939	2.3
99.00765	5.1
101.02350	27.2
102.01874	31.8
110.45812	2.1
113.02364	18.5
114.01885	14.1
119.03425	8.1
125.02378	34.1
126.01895	5.9
128.03426	2.4
129.01888	2.3
131.03426	23.9
133.06531	55.6
134.06888	2.8
143.03450	5.6
144.03012	3.2
146.02422	7.4
147.03079	1.9
148.07622	6.1
148.93286	1.8
149.04507	40.0
149.05989	5.5
161.04517	8.1
168.02873	2.0
174.03973	2.6
176.07143	63.3
176.78329	2.3
177.05630	2.4
191.05591	11.6
214.08061	1.8
233.06665	7.8
274.75592	2.8
293.08868	83.2
294.09180	6.2
336.09442	14.9
452.20044	2.5
457.19113	2.3
470.16620	8.4
471.14954	4.0
471.28665	2.3
477.61075	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.4
57.03333	6.6
59.01265	19.1
61.08839	1.1
68.99696	8.0
70.52966	2.8
71.01270	34.3
72.99206	14.0
73.02802	4.6
75.00765	7.4
75.02449	4.2
75.02967	1.2
79.95599	1.5
80.45233	1.1
83.01275	20.6
84.99172	2.0
85.00889	7.8
85.02844	12.1
87.00774	11.0
88.98650	3.4
89.02342	8.4
96.95918	40.8
99.00205	1.6
99.00778	28.1
99.02470	1.4
99.04378	1.3
99.99570	1.5
100.98682	2.4
101.02335	7.8
103.00231	2.9
111.00796	31.0
111.02488	1.4
112.98719	80.7
113.02308	2.7
113.99017	2.2
114.98289	4.3
115.00300	11.2
115.01940	5.0
117.01863	7.8
124.98665	3.7
127.00276	1.4
127.01937	2.5
128.03465	7.6
129.01862	14.0
133.01297	2.5
141.03586	1.4
142.08072	1.3
142.98801	1.6
142.99791	14.9
143.00784	1.6
143.01428	4.8
143.03374	2.6
145.01370	70.9
145.03026	2.8
146.01671	3.0
149.04538	8.5
154.05104	1.5
154.99744	1.7
157.01274	5.3
157.02977	2.4
158.04407	1.9
159.02843	1.9
171.01030	9.2
171.07689	3.2
173.00883	18.8
187.02448	2.8
187.04044	1.7
191.01894	1.3
199.00461	2.6
201.02063	2.0
203.03619	1.9
205.03493	5.8
209.02904	4.4
231.03134	10.2
245.04614	2.7
263.05859	43.9
264.06018	1.6
277.09418	1.6
295.10318	1.2
314.17618	1.1
333.06558	2.9
365.08832	4.0
391.06616	3.5
409.07764	5.3
419.06400	1.5
425.10260	1.7
437.07227	1.8
451.09113	9.9
469.09769	100.0
470.10153	10.7
472.77573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45047	0.3
58.02874	0.3
59.01259	2.2
61.98718	1.5
66.03372	0.5
71.00417	0.5
71.01267	5.9
75.00756	0.4
82.02878	3.0
85.02859	0.9
85.03966	32.5
86.02368	1.5
87.00753	0.3
87.05532	7.1
88.03938	5.4
89.02341	1.0
91.05399	0.4
97.03944	0.5
101.02329	0.5
101.05997	0.6
103.05422	0.5
104.23564	0.3
105.03350	0.7
108.02068	0.4
109.02906	0.5
109.03993	1.0
111.01974	0.6
113.02328	0.6
113.03498	0.9
114.02666	0.3
119.04974	0.8
121.04034	0.4
127.05058	1.6
128.03458	53.1
129.03784	1.2
133.05034	0.4
135.05551	2.5
136.05817	0.3
139.99310	29.4
140.99570	1.1
147.04459	6.0
150.06537	0.4
151.00232	0.3
151.03999	0.4
152.08253	4.6
153.00148	0.4
153.03735	0.3
153.06631	1.8
157.06134	48.0
158.06474	1.3
159.07700	3.3
170.09349	0.4
174.45917	0.3
178.06175	0.9
179.04582	4.0
181.03250	58.0
182.03583	3.0
184.04863	1.0
185.05592	0.3
196.07257	7.3
197.05644	0.7
197.07378	0.3
214.08392	0.4
224.10471	1.5
224.42792	0.3
225.10834	0.3
242.11494	2.5
268.09430	7.3
269.09863	0.5
286.10501	100.0
287.10806	5.3
293.21280	0.3
311.05737	0.4
312.05789	0.5
320.09177	2.4
339.10217	1.4
381.74146	0.3
432.10403	0.4
468.14465	15.2
469.14487	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	467.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03341	2.6
58.00509	0.7
59.01267	66.9
60.01608	1.2
61.98719	16.1
67.01769	0.7
68.99689	0.8
69.03293	0.6
70.16317	2.6
71.01269	13.4
72.99194	5.4
73.02834	3.5
75.00769	15.0
81.03354	1.0
83.01270	1.3
85.02843	19.9
87.00774	8.8
88.00301	1.3
89.02335	6.6
95.01292	5.7
96.95940	0.8
98.20468	0.9
99.00785	10.9
99.04429	4.6
101.02352	3.1
103.00285	2.4
105.03499	0.7
108.02071	2.3
109.02831	1.2
111.00812	1.0
113.02361	27.3
114.02691	1.0
115.00305	1.8
117.01865	3.2
117.05493	28.5
121.02843	1.2
125.02355	2.3
129.01883	2.2
131.03465	1.0
135.04462	0.9
137.02356	3.4
138.01900	42.2
138.05521	1.1
145.05095	0.9
145.06308	0.6
145.17738	0.8
149.04507	0.8
150.03291	1.5
153.05539	0.7
161.04521	0.9
167.03462	2.2
173.38747	0.7
175.02473	3.6
179.05571	0.9
189.24387	0.7
193.03510	3.8
205.07251	1.7
223.08279	1.3
231.05177	1.5
247.08125	0.9
249.03584	0.9
249.06177	16.2
250.06580	1.3
260.06891	0.7
262.10849	1.4
267.07422	1.9
272.06906	1.7
287.09326	0.9
287.14175	2.6
291.07327	2.6
305.10294	3.5
309.08331	5.0
347.06760	1.0
349.11398	5.1
351.09277	2.6
356.15381	0.8
367.12503	13.7
391.12659	2.4
407.22745	1.0
409.13599	19.6
410.13773	1.2
449.16574	7.4
450.17371	1.0
467.17786	100.0
468.09451	2.5
468.18048	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	467.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.5
57.03341	3.8
58.00478	1.2
58.22660	0.5
59.01266	98.0
60.01614	1.3
61.98721	4.2
64.54079	0.5
67.01796	0.6
68.99706	0.7
69.03351	0.9
69.48047	0.9
69.48456	3.1
71.01272	24.1
72.01614	0.7
72.99195	8.1
73.02843	3.0
75.00765	21.3
81.03366	1.1
82.02869	0.7
82.62436	0.4
83.01286	1.6
83.04958	0.4
84.02036	0.7
85.02843	32.0
86.03191	0.8
87.00774	12.7
88.00305	1.5
89.02338	8.2
95.01287	7.4
95.04984	0.5
96.95914	0.6
97.02859	1.0
99.00778	15.2
99.04418	6.1
100.01163	0.6
101.02343	3.2
103.00291	3.3
103.69649	0.4
109.02859	0.5
111.00787	1.3
113.02357	36.1
114.02686	0.9
115.00290	2.7
117.01863	4.8
117.05490	39.1
118.05846	1.1
119.03413	1.4
120.03807	0.4
125.02390	1.5
127.03948	1.0
129.01881	2.6
131.03436	1.4
133.02866	0.6
137.02364	1.7
138.01913	1.0
138.05551	1.4
139.00276	1.0
142.50148	0.5
149.04449	0.6
157.01302	0.9
160.04044	1.0
161.04468	1.1
167.03488	2.6
168.03816	1.1
169.03885	0.8
175.02448	3.6
193.03522	3.9
197.04642	0.5
205.07191	3.2
215.12086	0.5
223.08188	1.1
231.05098	2.1
245.14087	0.5
247.08279	0.8
249.06192	19.5
250.06567	0.8
267.07260	3.0
287.14160	0.5
291.07281	2.1
294.44702	0.5
305.10950	0.5
309.08328	5.6
347.06812	0.6
349.11499	5.5
351.09402	3.1
352.09888	0.5
367.12521	16.6
368.12869	0.9
391.12524	2.5
397.20236	0.5
407.22186	1.4
409.13583	19.2
410.13809	1.4
431.15652	0.6
449.16666	10.4
450.16806	1.1
467.17789	100.0
468.18240	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	467.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03337	52.4
58.00477	2.3
59.01264	56.8
61.98714	1.1
69.53320	6.7
71.01266	22.5
72.99178	2.9
73.02832	5.9
75.00756	1.4
81.03365	1.3
83.01263	2.1
85.02836	5.7
85.03961	4.8
87.00764	3.5
87.61900	0.9
89.02337	21.7
92.57382	0.9
95.01305	1.2
95.24564	0.8
96.02623	0.9
99.04414	26.0
99.43933	0.8
101.01721	1.7
101.02349	23.7
101.05959	1.2
103.03890	1.2
113.02371	7.4
115.03902	1.3
119.03421	5.3
123.17120	0.9
125.02383	9.7
128.03467	9.1
130.82567	1.0
131.03392	2.8
135.09206	1.1
139.99283	4.0
143.03394	3.2
145.07657	6.3
147.04428	1.7
149.04535	1.1
157.06151	8.0
159.09195	1.5
160.06360	16.9
161.04501	12.4
161.07152	56.5
162.07469	2.3
162.49286	0.9
163.06027	4.3
173.07231	1.0
175.08730	37.1
179.05540	2.6
181.03250	19.1
183.09116	0.9
185.10812	2.4
187.08742	6.4
189.06660	94.5
190.06967	5.3
199.08728	1.3
201.10294	8.8
202.10652	1.5
203.08235	47.5
203.11800	9.2
204.08556	2.8
205.07201	3.5
217.09763	2.0
229.09819	23.7
230.10205	1.9
247.08382	1.2
277.11932	4.3
286.10501	13.6
305.11481	60.6
306.11905	4.9
323.12534	100.0
324.12759	8.3
365.13620	15.8
405.16751	3.4
407.19238	25.1
408.19641	2.0
467.16776	6.5
468.14752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64840	0.2
58.26264	0.2
59.01266	2.2
60.01609	0.3
61.01700	0.3
61.98717	100.0
71.01270	0.3
71.60028	0.2
83.08013	0.2
99.27779	0.2
101.02364	0.2
147.00285	0.2
161.33444	0.2
165.12801	0.4
247.08632	0.2
264.84442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.1
61.01688	0.2
61.98717	100.0
66.03036	0.2
71.01305	0.2
71.55679	0.2
71.56123	0.2
79.95632	0.2
85.02859	0.2
87.69590	0.2
89.02341	0.3
99.41850	0.2
101.02319	0.2
113.02345	0.3
125.02421	0.2
128.28093	0.2
151.57848	0.2
165.12762	0.2
198.42841	0.2
390.08490	0.2
467.26974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83193	0.2
57.03369	0.2
59.01259	2.2
60.01595	0.2
61.98718	100.0
68.99635	0.2
69.03347	0.2
71.01272	0.9
71.62788	0.2
72.99206	0.4
73.02824	0.3
74.89356	0.2
75.00754	0.8
85.02842	0.9
86.02370	0.3
87.00778	0.3
89.02322	0.8
93.03373	0.4
96.00777	0.2
96.95924	0.6
97.02856	0.2
101.02363	0.7
109.02866	0.3
113.02389	0.4
113.03500	0.7
117.05462	0.2
125.02381	0.5
136.07750	0.2
136.31905	0.2
137.02397	0.6
149.04472	0.2
151.03773	0.2
166.05035	0.2
175.02448	0.2
178.99951	0.2
181.59430	0.2
193.01479	0.3
209.03061	0.2
242.14728	0.2
243.15071	0.2
244.68636	0.2
377.56653	0.2
405.20682	0.2
406.20908	0.7
466.19977	0.4
466.27362	0.2
467.17450	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	466.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72063	0.1
57.03345	0.3
57.53073	0.1
59.01267	4.5
60.01603	0.2
61.98717	100.0
62.98401	0.2
70.21775	0.1
70.96143	0.3
70.96498	0.2
71.01273	1.8
72.01574	0.2
72.99209	0.3
73.02834	0.4
75.00766	0.6
77.15601	0.2
78.95805	0.2
81.03352	0.2
83.01328	0.2
85.02852	0.9
87.00772	0.7
89.02328	1.5
90.02697	0.1
95.01302	0.3
97.71930	0.1
99.00780	0.3
99.04429	0.2
101.02354	0.6
103.00291	0.1
108.23769	0.1
112.14536	0.1
113.02354	1.4
114.02731	0.2
117.05489	0.9
119.03433	0.4
121.03747	0.2
123.04419	0.2
125.02404	0.4
133.02826	0.2
133.20587	0.1
138.05518	0.2
139.07645	0.2
145.05017	0.2
149.02118	0.1
151.03909	0.2
161.04538	0.1
167.03394	0.7
167.10753	0.2
168.03735	0.7
179.05585	0.2
180.05940	0.2
182.71019	0.2
190.84015	0.1
193.03542	0.1
197.04549	0.2
224.13855	0.2
238.50311	0.1
239.29619	0.1
241.14432	0.2
242.14847	0.3
243.15109	0.3
249.06265	0.5
262.59232	0.1
309.08408	0.3
345.06165	0.2
346.06766	0.3
353.26993	0.2
367.12701	0.4
384.12180	0.2
404.20200	0.2
405.21005	0.5
406.21106	2.0
409.13766	0.6
449.16922	0.3
466.18567	0.2
467.17740	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	465.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.4
59.01267	100.0
60.01586	1.3
61.98745	0.7
62.11269	0.6
71.01273	19.3
71.04946	0.9
71.46146	1.2
73.02840	3.4
83.01300	2.4
85.02856	5.7
87.00759	1.6
89.02339	16.8
89.02847	1.2
95.01306	1.3
96.95908	0.9
99.00786	1.6
101.02348	12.5
101.06017	2.9
113.02361	8.1
119.03423	8.4
123.08107	2.6
124.15206	0.8
125.02365	3.6
131.03470	0.9
138.06824	0.9
139.07657	1.0
141.09148	9.7
143.03485	2.9
149.09755	0.9
151.00145	1.0
153.01918	0.7
159.02946	1.5
161.04507	11.2
167.03557	0.9
167.10728	1.1
177.01923	1.0
179.05542	6.1
181.12335	1.6
188.83449	0.7
225.15038	2.3
243.16051	22.2
244.16432	1.4
285.04169	2.1
303.05121	4.1
405.21396	79.3
406.21750	9.0
438.04660	0.7
465.16696	0.9
465.23825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86767	0.3
51.83111	0.4
57.03337	1.3
59.01265	30.3
60.01610	0.6
61.98717	3.8
63.02268	0.5
63.15007	0.4
65.00217	3.9
70.03625	0.4
70.72993	0.7
70.73370	0.7
71.01270	8.5
71.04923	0.4
72.01617	0.5
72.99202	2.7
73.02859	1.8
74.02361	0.8
75.00764	100.0
76.01115	0.8
77.97383	0.4
81.03332	0.6
81.76578	0.4
83.01271	2.4
85.02855	2.6
87.00762	2.1
87.04403	0.4
88.98714	0.5
89.02341	5.6
95.01280	0.8
97.02857	0.4
99.00789	1.7
99.04403	0.5
101.02345	4.7
101.06002	0.4
107.01300	5.4
109.02817	0.8
113.02348	5.2
113.78474	0.3
115.00283	0.4
119.03457	2.2
119.04140	0.4
123.00800	0.5
123.04446	2.0
125.02361	3.3
125.09621	0.7
129.01842	0.6
131.03406	0.5
133.02858	0.7
135.04449	1.2
137.02425	0.5
139.00310	0.4
141.09157	0.8
143.03424	0.8
145.04959	1.4
149.02461	0.8
149.09691	0.4
150.03181	3.5
151.00308	24.7
151.03949	2.9
152.00780	0.8
153.01839	0.6
153.09177	2.1
159.02988	0.7
160.04018	1.9
161.04555	4.6
162.05240	1.1
163.11253	0.4
165.01904	0.6
165.05588	0.6
165.09213	0.5
169.01340	1.4
171.10260	0.7
174.18710	0.4
175.02521	0.5
175.03984	0.6
177.01773	0.5
178.99809	1.6
179.05568	1.8
186.89610	0.3
193.03728	0.9
194.04047	0.6
195.04469	0.3
195.06660	0.7
199.03989	0.9
202.00208	0.4
207.13960	0.4
225.14951	1.3
230.87337	0.4
241.05037	0.6
243.16048	4.1
249.06209	0.6
249.09908	0.8
257.04556	0.6
258.05139	0.4
258.30801	0.4
261.13052	0.4
267.07217	0.8
283.11072	2.4
284.11218	2.6
285.04105	16.4
285.11319	3.4
286.04434	1.7
302.04486	0.4
303.05261	0.7
303.08734	0.7
313.09421	0.6
339.07526	0.6
375.14673	0.8
387.20313	0.6
405.21393	10.2
406.21588	1.0
438.22009	0.5
465.10364	7.4
465.16699	5.5
465.27533	0.8
466.13760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
58.00467	0.5
59.01266	100.0
60.01612	0.9
61.98722	0.5
69.89587	1.0
69.90005	1.3
71.01270	6.4
73.02837	0.4
81.36262	0.4
85.02852	1.2
89.02339	10.0
95.01300	0.5
96.95902	0.6
101.02351	3.1
113.02368	3.5
119.03419	4.5
131.00786	0.4
143.03503	1.7
145.31477	0.4
147.20744	0.4
149.04613	0.4
149.09709	0.7
153.24500	0.4
156.58386	0.4
161.04549	1.8
162.19659	0.4
167.10756	1.2
179.05591	2.9
208.23759	0.4
235.86330	0.4
287.32791	0.4
335.88693	0.4
405.21359	3.9
406.21960	0.6
419.45352	0.5
449.20563	0.5
459.10928	0.4
465.23782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74993	1.1
59.01266	11.7
60.61943	1.2
61.98698	3.8
71.01266	1.6
71.60936	2.1
78.03363	1.4
85.80135	1.1
92.44672	1.1
95.54044	1.3
96.95897	3.0
100.13776	1.1
104.04936	1.3
122.06033	5.4
124.07555	3.1
148.03972	7.1
148.05080	1.8
149.06018	53.3
168.06607	1.3
185.08363	2.0
197.07141	2.3
200.10933	1.4
211.08730	2.8
212.09543	4.8
213.06667	9.8
213.10242	3.1
215.11899	2.0
225.06653	11.5
225.10257	1.6
226.07243	2.6
227.08192	2.8
227.11906	2.9
228.08969	6.4
229.09641	1.2
239.08308	1.1
240.09064	13.5
241.06230	1.6
241.09705	4.5
242.10532	2.0
243.11423	8.9
253.09932	3.2
255.11441	29.4
256.11682	3.2
271.10944	14.7
272.11398	1.4
273.12445	9.2
296.91345	1.2
300.67142	1.2
315.09943	100.0
316.10349	8.0
317.11478	72.4
318.11823	5.1
347.83829	1.3
348.09595	3.3
405.21310	2.1
465.16644	10.9
465.25729	1.4
465.31927	1.4
466.17111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
50.97025	0.4
54.18224	0.4
57.03333	9.5
59.01264	5.9
61.19484	0.4
61.98705	0.6
63.02271	0.6
65.00208	1.8
71.01264	2.0
71.60381	0.6
72.95225	0.3
75.00768	5.1
76.01093	0.3
81.03362	0.9
82.85207	0.3
83.01263	3.1
85.02856	1.3
86.94289	0.4
87.00774	0.7
89.02347	1.8
95.01281	2.6
101.02356	1.3
107.01291	1.8
108.02073	0.6
109.02893	2.4
111.00804	1.1
113.02360	1.1
119.03449	0.7
121.02870	1.2
121.47024	0.4
122.03699	0.4
123.00781	1.4
123.04435	2.3
124.01581	5.7
125.02367	71.9
126.02701	2.3
131.03424	0.5
132.26089	0.4
133.02873	0.5
135.04465	0.4
137.02357	1.8
139.00290	1.0
139.03954	1.2
147.04436	1.4
149.02396	3.3
150.03183	2.6
151.00302	7.1
151.03935	4.6
152.01106	10.5
153.01869	4.2
161.06062	0.4
163.00293	0.9
165.05508	0.8
165.95143	0.4
172.05177	0.5
173.06023	1.1
174.03162	1.2
175.03947	4.5
176.01115	1.7
177.01874	3.6
178.99825	6.0
180.06659	0.5
181.01376	1.1
188.04736	1.5
189.05508	3.1
191.03436	1.7
193.05063	2.4
195.06581	1.1
199.04030	1.0
200.04533	0.5
213.05551	1.1
215.07109	1.3
216.04169	0.8
217.05042	6.8
219.03030	0.4
231.06628	1.5
241.05109	1.5
257.04718	1.4
258.05255	0.5
259.06165	9.4
260.06430	0.7
274.04819	1.4
275.05646	6.1
276.05957	0.4
284.03308	1.1
285.04095	21.8
286.04495	1.8
303.05167	11.9
303.08698	0.9
303.13608	0.7
304.05551	0.7
405.17523	0.6
421.11356	2.2
423.58109	0.4
437.10971	18.4
438.11136	2.3
447.09448	9.3
448.09528	1.0
448.19150	0.5
465.10464	100.0
466.10779	11.2
466.19519	2.0
467.32761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53061	0.7
57.03341	1.4
58.00484	0.9
59.01265	100.0
60.01616	1.4
60.99203	0.6
61.98721	1.6
71.01270	17.7
71.20219	1.0
71.20544	1.1
72.99215	1.6
73.02843	1.0
75.00758	1.1
78.95808	1.5
81.03377	1.2
83.01290	0.8
83.04930	2.2
85.02837	6.3
87.00797	1.4
88.98688	3.8
89.02339	17.0
89.02840	1.2
93.03335	0.9
95.01295	2.4
95.04937	0.9
97.06489	5.0
98.19926	0.7
98.69878	0.6
101.02345	10.4
103.00319	0.6
108.32915	0.6
111.08102	2.6
113.02362	18.3
119.03426	6.6
121.02921	0.9
124.21108	0.6
131.03387	1.0
131.43787	0.7
143.03471	1.9
149.06071	4.1
151.00490	0.8
152.99544	1.7
161.04471	4.6
163.11267	1.0
165.12804	44.6
166.13187	2.4
179.05550	5.8
189.12970	1.0
197.15457	21.7
197.17227	1.2
198.15800	0.8
205.12413	0.8
209.11792	3.3
210.53674	0.6
217.00252	0.7
219.13936	0.8
223.13437	4.3
225.09204	1.5
227.13036	1.1
231.17961	0.7
237.15169	1.6
241.14482	51.0
242.14851	3.3
251.13084	1.0
253.14438	0.8
255.03149	0.9
255.16006	0.7
265.14496	22.7
266.14996	1.9
271.02557	3.6
277.14474	0.9
283.15643	2.8
293.14072	0.9
295.15573	5.6
300.02872	3.9
301.03726	2.6
307.15582	1.8
319.09897	1.0
331.21347	1.8
337.11072	1.3
373.10779	1.4
463.09048	3.6
463.14749	7.8
463.26617	1.3
464.15015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11337	0.5
55.01771	1.2
57.03333	1.5
58.00473	1.3
59.01265	35.5
61.98723	0.6
65.00214	1.1
71.01266	17.5
71.04901	1.4
71.60708	0.8
72.99199	3.8
73.02833	3.1
75.00783	1.2
79.33323	0.5
83.01276	2.1
83.04924	0.9
85.02843	6.6
87.00758	2.3
89.02340	11.9
93.03330	0.8
94.63311	0.5
95.01279	1.6
99.00801	1.3
99.04401	0.6
99.08058	1.4
101.02348	11.1
101.06003	0.6
107.01313	2.2
108.02082	0.6
108.04455	2.0
109.02843	1.3
111.00801	1.6
113.02368	6.2
115.07571	0.7
115.28786	0.5
119.03418	3.7
121.02872	1.9
123.04407	0.6
124.07629	1.0
125.02326	1.1
125.09599	1.2
129.09132	5.2
131.03426	1.0
133.02917	0.6
135.04424	0.7
136.07614	4.8
137.02348	0.7
139.00287	1.1
145.02910	0.7
149.04482	1.4
151.00307	7.3
161.04506	1.6
163.00346	0.8
165.01894	1.3
166.02650	0.8
171.47643	0.5
178.54239	0.5
178.99861	3.7
183.04419	0.6
183.13864	2.1
187.03972	0.6
191.05666	0.6
193.01396	1.1
199.04015	1.0
199.13274	0.6
201.05649	0.8
203.03465	0.5
209.11937	0.9
217.04872	0.8
219.03006	0.6
219.13876	0.9
227.03452	0.7
227.12915	0.8
243.03062	1.5
244.03439	0.5
255.02931	3.1
256.03522	0.8
257.12991	12.9
258.13367	0.8
265.18137	2.5
271.02524	10.0
272.03076	1.4
272.62753	0.6
273.04123	0.6
283.02725	1.0
283.06171	2.1
283.19254	4.0
285.21051	0.6
287.02029	0.7
297.20435	0.6
299.02081	2.9
300.02811	9.9
301.03619	11.2
301.12027	8.2
301.20248	19.4
302.04013	1.1
302.12524	0.6
302.20648	2.1
315.13663	2.9
316.02335	2.2
317.03000	3.8
331.17688	0.8
343.13074	2.7
359.15051	1.5
403.23590	1.1
439.62607	0.6
445.07819	2.8
445.24799	1.4
463.08286	10.2
463.25632	100.0
464.09271	1.9
464.25964	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	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56290	0.4
55.01780	0.6
55.36049	0.3
56.27302	0.4
57.03355	0.9
58.00508	1.0
59.01266	17.1
60.01609	0.3
61.98732	0.8
63.02305	0.4
69.59505	0.9
69.59921	1.6
71.01273	11.8
72.99191	1.7
73.02837	2.6
75.00764	2.9
80.02596	1.2
81.03387	1.1
81.52856	0.3
83.01271	1.6
83.04918	4.6
83.05378	0.3
84.02086	1.4
84.29153	0.3
85.02837	4.2
85.03995	0.3
87.00800	2.0
89.02342	6.7
89.02838	0.4
93.03371	0.5
95.01301	0.5
95.04953	0.6
99.00806	1.5
99.04444	0.3
101.02351	8.5
106.72670	0.3
107.01319	1.0
108.02122	0.4
109.02894	1.0
109.06534	0.5
111.00798	0.5
113.02353	5.4
119.03425	1.7
121.02889	0.7
123.00792	0.3
125.02380	1.0
125.05979	0.6
131.03445	1.1
135.00838	0.4
135.08083	0.7
137.02339	0.4
138.03203	0.3
139.03966	0.9
143.03438	0.8
145.13374	0.3
146.06085	0.5
147.11771	0.3
148.01582	0.6
149.02353	0.4
149.04530	1.3
150.03206	0.5
151.00298	3.7
159.02962	0.6
160.03954	2.3
161.04520	5.2
163.00359	0.8
163.11253	3.0
165.01886	0.3
165.12781	2.1
168.02997	3.5
169.01439	0.3
169.03305	1.9
171.04321	0.3
174.05505	0.4
175.06351	0.5
176.03525	0.4
178.98427	0.3
178.99815	1.4
179.05576	1.1
181.12360	0.7
187.06366	1.0
191.10754	1.1
193.03616	0.9
195.10239	0.4
204.06619	1.0
204.11543	0.4
205.07310	0.7
207.05406	0.6
209.11823	100.0
210.12175	5.7
211.04024	0.5
216.04259	0.4
219.05415	0.5
219.13820	0.6
221.11859	0.4
226.02756	0.8
227.03549	0.9
227.12891	17.7
228.13229	1.3
235.08258	0.9
237.06497	0.4
239.12872	2.0
241.14325	0.5
243.03017	3.6
253.09328	14.4
254.02283	0.6
254.09573	0.7
255.03020	7.2
256.03363	0.8
263.12936	2.0
264.12833	0.4
271.02536	16.7
272.02939	1.5
283.06253	0.7
287.15060	1.2
299.14270	1.7
300.02805	24.7
301.03574	14.9
301.06915	0.9
302.03888	1.1
303.14499	0.6
316.02304	0.5
329.15152	7.9
330.15378	0.8
331.17706	6.5
341.15030	0.5
403.19620	0.7
419.18845	0.5
455.80228	0.4
463.08716	21.7
463.17392	2.0
463.23120	3.0
464.08954	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.9
59.01263	100.0
60.01604	1.0
61.98708	2.5
69.03348	1.2
69.59930	2.6
71.00900	0.6
71.01267	4.5
71.04897	0.7
73.02830	0.8
73.40236	0.4
78.95789	2.9
83.04929	0.4
85.02846	2.2
88.98673	0.5
89.02327	2.7
95.01296	0.5
95.04956	0.4
96.96915	0.5
97.06483	0.4
99.00787	0.5
101.02354	3.3
111.08079	4.7
113.02353	5.3
119.03442	2.5
146.61269	0.4
147.11696	0.4
152.99538	4.4
153.09073	0.4
161.04507	2.3
165.12799	61.8
166.13118	3.4
181.12344	1.4
191.10782	1.6
195.13882	0.7
209.11818	5.8
210.12199	0.4
219.13832	0.4
221.06676	0.4
223.13333	1.1
227.12892	15.1
228.13284	0.9
241.14474	14.8
242.14833	0.8
251.12811	0.7
271.02539	0.6
283.15540	2.3
300.03006	1.8
301.03586	0.6
331.21164	0.6
463.08707	0.8
463.14703	0.6
463.20908	0.9
463.26599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2196
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01770	0.9
57.03336	0.8
58.00485	1.9
59.01265	68.7
60.01598	0.8
61.98727	1.7
65.00237	0.2
67.01762	0.4
68.99682	0.3
69.03339	4.3
71.01271	58.1
72.01612	1.0
72.99196	2.7
73.02840	5.6
75.00762	0.7
81.03360	2.7
83.01271	2.8
83.02436	0.2
85.02342	0.6
85.02847	8.1
86.03202	0.3
87.00771	1.9
89.02338	63.4
90.02682	0.9
93.03350	0.8
95.01285	1.7
97.02856	6.0
98.19843	0.7
99.00765	1.5
101.02347	13.3
101.05998	0.8
109.02916	0.4
111.00800	0.9
111.04444	0.3
113.02360	9.5
115.03863	0.4
119.03410	2.4
121.02876	0.4
125.02371	22.3
126.02704	0.8
127.03939	0.5
131.03433	15.7
132.03760	0.4
134.76031	0.3
137.02342	0.7
139.03902	1.0
143.03435	2.3
149.04500	20.8
150.04803	0.4
151.00316	0.3
151.11191	0.9
161.04492	0.7
163.00294	0.3
167.03418	0.6
169.12297	100.0
170.12636	6.0
173.04477	0.5
183.13696	0.4
191.05592	8.0
209.15372	0.3
213.05550	0.4
227.16502	1.6
233.06674	5.4
249.06081	1.1
253.05061	0.5
255.02992	0.4
271.02509	1.1
275.07556	0.3
293.08853	23.0
294.09305	1.8
294.12152	0.3
297.04077	0.6
300.02795	1.5
301.03473	1.0
309.58890	0.3
329.23410	2.7
330.23648	0.4
403.27237	0.4
463.08936	1.4
463.21603	0.3
463.29272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21143	0.2
54.37040	0.2
55.01762	0.6
56.00101	0.1
57.03325	0.4
58.00479	0.3
59.01267	9.1
60.27906	0.2
69.03368	0.2
69.49471	1.5
71.01272	6.7
72.99200	0.2
73.02836	1.6
81.03339	0.3
83.01272	0.8
85.02847	1.7
87.00772	1.0
89.02338	5.4
91.03903	0.2
95.01279	0.6
97.02838	0.3
97.06494	0.3
99.00758	0.4
101.02346	6.1
101.03017	0.3
111.08076	0.6
113.02366	2.9
119.03413	1.3
121.02877	0.2
125.02379	0.3
131.03455	0.3
133.05032	0.4
139.03853	0.2
142.65089	0.2
143.03438	0.5
161.04504	2.1
165.12804	7.7
166.13115	0.4
179.05573	0.5
183.13870	100.0
184.14206	6.4
184.15869	0.3
209.11867	1.8
210.84114	0.2
227.12903	7.8
227.15172	0.4
228.13268	0.7
234.94733	0.2
235.08234	1.0
253.09348	7.0
254.09679	0.3
255.06619	0.5
258.73792	0.2
262.62552	0.2
271.06189	0.5
286.08591	0.5
301.03488	0.2
301.10889	2.0
301.16638	0.4
302.11127	0.3
445.20963	0.8
463.21951	68.8
464.22275	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	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03337	0.6
59.01269	5.1
62.43795	0.2
66.99613	0.2
69.03368	0.3
71.01276	3.7
71.03416	0.5
71.53283	0.3
73.02835	1.0
74.51244	0.2
76.31506	0.2
78.10465	0.3
83.01294	0.7
85.02845	1.1
87.00746	0.5
88.80679	0.2
89.02348	2.7
91.03962	0.3
97.06474	0.3
101.02357	3.2
111.08080	0.7
113.02367	1.5
119.03411	0.7
140.08160	0.2
143.03435	0.3
161.04532	0.9
165.12802	8.5
166.13170	0.4
183.13879	100.0
184.14229	5.5
209.11827	1.3
227.12897	9.7
227.15186	0.5
228.13229	0.8
235.08284	1.2
243.55028	0.3
253.09380	5.0
254.09619	0.4
271.02655	0.2
283.26929	0.2
301.10938	0.5
301.16599	0.3
358.90363	0.2
445.21057	0.5
449.87842	0.3
463.21973	72.6
464.22302	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50038	0.2
54.66615	0.2
57.03338	0.4
58.00483	0.7
59.01267	10.6
60.01598	0.3
61.98717	3.5
69.02729	0.2
69.54689	0.5
69.55092	1.6
71.01266	5.2
72.99200	1.0
73.02439	0.3
73.02834	1.2
75.00767	0.4
77.15494	0.3
83.01276	0.5
85.02835	1.6
89.02338	3.4
95.01268	0.3
99.00792	0.4
101.02332	2.4
108.73959	0.3
113.02365	1.6
118.06551	1.4
119.03431	1.1
122.06026	0.6
131.03499	0.3
146.06032	0.3
147.03194	0.5
148.03864	0.7
160.03995	3.6
161.04770	44.5
162.05550	8.3
163.05959	0.4
164.03499	2.8
169.59430	0.3
175.02704	2.6
176.03438	0.5
179.05643	0.4
192.03027	4.2
193.03778	18.2
194.04262	0.7
199.59154	0.3
210.05580	0.4
213.44670	0.3
240.10301	0.9
253.06264	0.9
269.10449	0.6
270.10675	0.8
271.10834	1.0
271.14297	0.3
283.10934	100.0
284.11270	9.4
373.14075	3.3
374.14597	0.5
401.14365	0.3
402.14749	0.3
403.15231	1.6
463.17355	8.8
464.17783	1.1
479.77783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23435	0.5
51.57296	0.6
55.01756	2.7
57.03329	4.4
57.61776	0.5
57.83302	0.6
58.00484	1.7
59.01265	57.7
60.01588	0.8
61.98719	1.3
69.03340	2.0
71.01270	63.8
71.17213	1.4
72.01611	0.7
72.99202	3.0
73.02837	15.4
75.00753	2.2
81.03355	1.1
83.01282	7.0
83.04922	0.9
84.02046	0.6
85.02842	21.7
85.99980	0.7
87.00769	7.3
89.02338	43.8
91.03899	1.2
95.01292	4.6
97.02844	2.7
97.06445	0.8
99.00778	6.0
101.02346	42.0
109.02856	1.2
111.00784	1.2
111.08047	0.9
113.02355	23.9
114.02625	0.7
115.03912	0.6
119.03415	10.6
121.02865	2.1
125.02351	4.9
129.01851	0.9
131.03436	17.5
133.02908	1.5
135.04425	1.2
137.02341	0.9
139.00330	0.7
143.03447	4.6
143.10690	1.3
149.02484	1.2
149.04500	15.1
151.00259	1.4
151.03932	0.8
151.11192	1.7
159.02890	2.9
161.04506	26.3
161.05838	1.5
162.04802	1.4
165.12833	4.8
179.05602	5.0
183.13869	100.0
184.14247	5.5
191.05600	3.9
197.02911	0.6
198.06844	0.9
205.03558	0.9
207.13850	3.8
209.11789	2.0
209.15511	0.7
219.13818	0.8
221.06680	18.4
222.07141	0.7
227.12883	7.8
231.14023	0.7
233.06792	1.6
237.15004	5.0
241.14490	1.1
249.15019	1.2
251.12921	5.5
255.03128	0.8
259.06000	1.2
263.12851	3.3
270.04776	0.8
271.02649	2.9
271.06100	3.5
283.19299	1.2
286.05725	0.7
286.08310	3.2
293.08881	1.6
300.02762	5.3
301.03909	3.4
301.07370	0.9
301.11212	10.3
301.16644	53.2
301.20236	6.1
302.11343	1.1
302.16989	3.8
302.20227	1.0
325.16571	3.1
329.23404	1.7
331.17694	26.7
332.17984	2.5
337.16626	2.4
338.16971	0.7
353.10748	1.7
355.17740	3.4
367.17740	2.5
403.23926	1.2
463.08612	5.0
463.26352	15.8
464.25882	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.0
61.98710	0.6
63.80794	0.3
70.59681	0.6
70.60065	0.6
71.01257	0.8
81.01924	0.3
86.38064	0.3
98.42155	0.3
101.02372	0.5
109.02872	0.5
123.00742	0.7
123.04404	0.4
137.02367	1.3
138.03183	0.4
143.13519	0.3
149.06003	0.6
152.04822	0.4
153.05536	0.5
159.04437	0.4
165.01926	2.0
173.02385	0.4
174.99205	0.9
180.04187	0.9
181.06537	0.6
183.04491	0.6
185.06090	2.3
186.06679	0.4
195.06673	0.5
197.06021	0.4
209.06081	3.5
210.06744	1.5
211.03946	2.5
212.04700	0.5
217.00285	2.9
225.05583	3.0
226.06296	1.1
243.03021	0.4
252.04395	0.7
253.05098	100.0
254.05823	43.6
255.03372	0.6
255.06247	2.9
266.05896	1.6
267.06763	0.8
268.07431	1.1
269.08261	7.5
270.08350	0.4
271.02576	1.5
272.03046	0.4
281.04639	3.2
281.07724	0.5
282.05399	6.7
283.05963	0.7
286.04739	0.7
295.09872	0.6
296.06970	2.4
297.07739	73.4
298.08102	7.3
300.02786	2.2
300.06454	2.6
301.03571	1.6
309.07919	1.9
343.06332	0.9
344.06808	0.8
372.06354	0.7
382.04758	0.4
388.05890	0.7
399.08981	0.5
400.05756	1.0
401.06635	0.4
401.30295	0.4
403.08408	1.0
415.08212	2.2
418.11130	0.4
430.10696	0.6
433.13361	0.8
435.14572	2.7
445.13153	1.1
448.11536	0.8
450.34686	0.4
463.14148	33.9
463.27087	1.1
464.08780	0.6
464.14484	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	463.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59333	0.2
59.01263	100.0
60.01601	1.0
61.98717	1.9
71.01270	2.1
71.60972	0.5
73.02840	0.7
75.00781	0.3
75.54735	0.2
78.95818	0.3
83.01265	0.4
85.02851	0.9
89.02354	1.1
91.03893	0.4
94.14105	0.3
99.00815	0.4
101.02354	0.8
109.02872	0.4
113.02368	1.0
119.03423	0.6
121.02872	0.3
121.97426	0.3
151.00362	0.4
161.04538	0.6
171.10199	0.3
179.05688	0.3
183.13904	0.5
217.00313	0.3
227.12898	0.3
241.18092	1.5
243.03101	0.4
255.03055	1.0
271.02454	2.0
285.04205	0.4
298.96356	0.3
300.02844	3.3
301.03455	1.3
302.03400	0.3
329.23526	1.6
403.27240	0.7
421.28241	0.6
435.14597	0.3
463.08713	2.5
463.22021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02815	5.8
59.01264	36.3
61.51757	6.5
65.00202	6.2
70.03885	21.7
71.01270	19.7
83.01287	8.8
88.09175	6.7
89.02357	18.3
101.02351	12.3
107.01292	11.7
112.14140	6.0
113.02312	7.5
134.03702	6.2
144.77193	5.7
149.04526	15.2
151.00308	34.8
161.04451	6.3
165.12854	10.0
177.01794	6.3
183.13885	100.0
189.36029	5.4
189.42274	5.9
195.99921	5.4
219.85017	5.2
227.12894	13.9
293.08850	15.5
300.02792	9.3
301.03568	74.1
301.07202	73.7
301.20285	8.0
302.07565	8.5
463.13525	56.8
463.21970	66.4
464.14600	7.2
464.22079	10.9
487.50375	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18916	0.5
55.01775	1.2
57.03328	2.2
59.01268	37.4
59.73867	0.5
61.98707	0.7
63.02286	0.9
65.00217	3.2
65.94426	0.6
69.03357	0.8
71.01270	18.9
71.04905	1.7
71.63359	1.0
72.99187	2.7
73.02833	2.9
73.08708	0.5
75.00765	0.8
81.03358	0.6
83.01277	4.1
83.43340	0.5
85.02835	7.0
85.06477	1.0
87.00766	2.0
88.98682	0.6
89.01825	1.0
89.02341	12.9
93.03365	1.7
95.01284	2.7
96.80524	0.6
97.06516	0.6
99.00787	1.5
99.08053	1.7
101.02349	12.9
107.01296	3.7
108.02127	0.9
108.04489	1.4
109.02864	1.1
111.00795	3.2
111.04455	0.7
111.08099	0.7
113.02377	5.0
115.07549	0.6
117.03355	0.6
118.99491	0.5
119.03437	4.3
121.02917	2.6
123.00786	1.8
124.01583	1.4
124.07597	1.1
125.02360	2.4
125.09655	2.0
129.09131	6.7
131.03412	1.4
136.01479	0.7
136.07584	4.1
137.02396	1.7
139.00304	5.0
143.03444	0.7
143.04961	1.0
145.02882	1.6
149.02377	0.9
149.04489	1.3
151.00316	18.6
152.01071	1.1
153.01917	0.6
159.04471	1.6
161.02419	0.8
161.04524	0.8
163.00302	1.5
164.01129	1.0
165.01822	1.0
166.99828	1.2
169.01392	2.3
171.04491	1.7
174.03230	1.1
175.04021	0.6
178.99828	15.9
179.05576	0.9
183.04515	1.1
183.13873	1.9
187.03941	1.0
189.02017	0.9
189.12897	0.7
192.00601	1.1
193.01428	2.5
194.41147	0.6
194.99438	0.6
199.03929	1.5
201.02165	0.6
203.03468	1.6
208.00111	0.7
209.11774	1.4
211.03937	1.2
214.02704	0.6
215.03438	1.7
217.05064	6.9
219.02927	0.8
227.03508	1.9
231.03024	1.4
231.76997	0.6
232.03697	0.9
242.02153	1.3
243.03032	4.2
245.04555	1.1
254.02078	0.7
255.03040	8.3
256.03531	0.7
257.12994	8.4
259.02539	2.3
265.14493	0.6
270.01718	1.8
271.02548	19.0
271.05566	1.2
272.03006	3.4
273.04092	4.2
282.17874	0.9
283.02457	3.0
283.11545	0.7
283.15561	1.5
283.19144	2.0
284.03268	1.0
285.04221	0.8
287.02036	3.6
289.03690	1.2
293.08807	0.6
299.02045	18.6
299.05414	1.2
300.02716	8.7
301.03592	11.4
301.07129	1.2
301.12100	4.7
301.20264	23.1
302.20505	0.8
315.13702	1.7
316.02280	13.0
316.05783	1.0
317.03082	15.9
318.03479	1.8
329.23334	1.3
331.17477	0.7
336.62741	0.6
343.06845	1.9
343.13156	2.3
355.06674	0.6
359.15076	2.0
363.10953	2.1
375.27750	0.7
403.19269	0.6
403.23978	0.7
445.07962	1.6
445.24460	4.1
446.08548	0.9
463.08868	44.0
463.25629	100.0
464.09180	5.7
464.25977	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	463.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.2
59.01266	6.5
61.98690	0.3
63.02277	1.0
65.00215	0.8
68.58556	0.2
69.37390	2.4
71.01274	2.3
71.78532	0.2
72.99194	0.4
73.02817	0.9
78.91767	0.4
83.01286	1.5
85.02843	1.0
87.00754	0.5
87.11385	0.2
89.02316	1.5
95.01273	0.3
95.04908	0.3
96.95895	0.6
97.76246	0.2
101.02359	1.3
107.01308	2.3
109.02837	0.5
111.00771	0.4
113.02346	1.3
119.03407	0.6
121.02876	0.7
123.00820	0.4
123.04432	0.3
124.01569	0.5
125.02349	1.0
133.02873	0.5
135.04526	0.3
137.02350	0.5
139.07491	0.3
142.34367	0.3
147.04402	0.3
148.01543	1.0
149.02388	5.1
149.99554	0.4
150.03172	1.6
151.00310	5.1
152.00732	0.3
159.03107	0.3
161.04503	0.4
163.00296	0.4
163.03822	0.3
165.01878	0.4
165.05533	0.3
165.17113	0.3
167.03394	0.3
169.01387	0.5
175.03989	0.4
177.01852	0.6
179.05568	0.4
183.04485	0.3
187.03923	0.4
188.04720	0.4
189.01900	0.3
190.02647	0.4
191.03481	1.3
193.01395	0.4
193.05042	0.3
195.06653	0.3
199.04012	0.5
201.01950	0.4
203.03418	0.4
204.04243	0.4
207.02924	0.4
209.11723	0.5
211.03996	0.5
215.03423	1.0
216.04227	0.8
217.01448	0.6
217.04955	0.5
219.02718	0.2
227.03514	1.0
229.01382	0.3
229.05084	0.3
233.04601	0.8
239.03499	0.6
241.04832	0.3
241.14491	0.4
243.03001	1.0
255.03050	1.2
256.03708	0.5
257.04498	0.5
259.02448	0.4
269.04590	0.3
271.02457	1.7
272.03302	7.9
273.03775	0.5
283.02496	0.8
285.03918	0.3
299.02100	1.1
299.05237	0.4
300.02811	86.3
301.03558	67.5
302.03912	4.6
313.03586	1.1
314.04178	0.4
315.05121	0.7
327.04733	0.3
343.04636	4.2
344.05249	0.4
373.05566	1.5
403.19794	0.7
445.08310	0.6
463.08923	100.0
464.09232	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	463.0895
Annotation	Gossypetin 8-rhamnoside
Peak:m/z	Relative Intensity
54.18916	0.5
55.01775	1.2
57.03328	2.2
59.01268	37.4
59.73867	0.5
61.98707	0.7
63.02286	0.9
65.00217	3.2
65.94426	0.6
69.03357	0.8
71.01270	18.9
71.04905	1.7
71.63359	1.0
72.99187	2.7
73.02833	2.9
73.08708	0.5
75.00765	0.8
81.03358	0.6
83.01277	4.1
83.43340	0.5
85.02835	7.0
85.06477	1.0
87.00766	2.0
88.98682	0.6
89.01825	1.0
89.02341	12.9
93.03365	1.7
95.01284	2.7
96.80524	0.6
97.06516	0.6
99.00787	1.5
99.08053	1.7
101.02349	12.9
107.01296	3.7
108.02127	0.9
108.04489	1.4
109.02864	1.1
111.00795	3.2
111.04455	0.7
111.08099	0.7
113.02377	5.0
115.07549	0.6
117.03355	0.6
118.99491	0.5
119.03437	4.3
121.02917	2.6
123.00786	1.8
124.01583	1.4
124.07597	1.1
125.02360	2.4
125.09655	2.0
129.09131	6.7
131.03412	1.4
136.01479	0.7
136.07584	4.1
137.02396	1.7
139.00304	5.0
143.03444	0.7
143.04961	1.0
145.02882	1.6
149.02377	0.9
149.04489	1.3
151.00316	18.6
152.01071	1.1
153.01917	0.6
159.04471	1.6
161.02419	0.8
161.04524	0.8
163.00302	1.5
164.01129	1.0
165.01822	1.0
166.99828	1.2
169.01392	2.3
171.04491	1.7
174.03230	1.1
175.04021	0.6
178.99828	15.9
179.05576	0.9
183.04515	1.1
183.13873	1.9
187.03941	1.0
189.02017	0.9
189.12897	0.7
192.00601	1.1
193.01428	2.5
194.41147	0.6
194.99438	0.6
199.03929	1.5
201.02165	0.6
203.03468	1.6
208.00111	0.7
209.11774	1.4
211.03937	1.2
214.02704	0.6
215.03438	1.7
217.05064	6.9
219.02927	0.8
227.03508	1.9
231.03024	1.4
231.76997	0.6
232.03697	0.9
242.02153	1.3
243.03032	4.2
245.04555	1.1
254.02078	0.7
255.03040	8.3
256.03531	0.7
257.12994	8.4
259.02539	2.3
265.14493	0.6
270.01718	1.8
271.02548	19.0
271.05566	1.2
272.03006	3.4
273.04092	4.2
282.17874	0.9
283.02457	3.0
283.11545	0.7
283.15561	1.5
283.19144	2.0
284.03268	1.0
285.04221	0.8
287.02036	3.6
289.03690	1.2
293.08807	0.6
299.02045	18.6
299.05414	1.2
300.02716	8.7
301.03592	11.4
301.07129	1.2
301.12100	4.7
301.20264	23.1
302.20505	0.8
315.13702	1.7
316.02280	13.0
316.05783	1.0
317.03082	15.9
318.03479	1.8
329.23334	1.3
331.17477	0.7
336.62741	0.6
343.06845	1.9
343.13156	2.3
355.06674	0.6
359.15076	2.0
363.10953	2.1
375.27750	0.7
403.19269	0.6
403.23978	0.7
445.07962	1.6
445.24460	4.1
446.08548	0.9
463.08868	44.0
463.25629	100.0
464.09180	5.7
464.25977	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	463.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.0
63.26299	0.7
69.77914	3.0
69.78323	1.3
71.01225	0.8
78.00660	0.7
87.61362	0.7
107.01289	2.1
108.02090	1.1
109.02885	0.7
119.01261	0.8
121.02843	1.7
148.01553	0.8
151.00311	9.0
163.00327	1.9
168.80824	0.7
169.01167	0.8
178.99809	5.1
204.41551	0.8
211.03990	0.9
226.02740	1.3
227.03423	2.9
243.03024	9.2
254.02269	2.5
255.03038	20.6
271.02518	41.0
272.02878	5.3
273.04095	1.2
283.02463	1.1
300.02805	90.9
301.03537	54.3
302.03882	4.7
463.08911	100.0
464.09290	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	463.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	1.0
59.01264	13.4
65.00207	2.8
68.99689	0.8
69.42670	2.8
69.43105	3.1
71.01268	5.7
72.99176	1.1
73.02840	1.4
77.36801	0.6
83.01253	1.1
85.02844	2.2
87.00759	0.7
89.02356	3.3
93.03349	2.4
93.83411	0.6
95.01259	1.9
97.02883	0.9
99.00775	1.4
101.02353	3.9
107.01289	2.8
108.02113	1.0
109.02855	1.5
110.00016	2.1
111.00778	1.6
113.02346	1.2
113.05948	0.7
114.84136	0.7
117.03336	0.9
119.04937	1.1
121.02887	1.6
123.00758	1.2
125.02364	1.4
131.03395	0.7
132.30518	0.6
133.02911	1.0
135.00777	1.2
136.98732	1.6
137.02342	1.3
137.99448	1.1
139.00278	1.8
139.07582	1.4
145.02975	0.7
147.04384	0.7
148.01572	1.0
149.04468	2.2
151.00308	6.4
151.03891	0.7
151.07602	1.6
152.01093	1.9
153.01764	0.9
155.10718	1.2
159.04427	0.6
161.04486	1.5
163.00308	2.4
163.03926	0.8
163.07651	0.8
165.99017	1.7
166.99770	1.8
171.04428	1.6
178.99843	3.3
179.05515	0.7
183.04431	2.4
185.02345	0.8
185.06061	0.8
187.03960	1.7
199.03989	2.9
200.04749	0.9
201.05522	1.5
209.11920	0.7
210.03111	0.8
211.03954	3.0
214.02640	0.8
215.03488	1.7
216.04338	1.1
219.13919	2.1
220.75293	0.6
226.02745	2.1
227.03532	10.6
227.12779	1.0
228.04044	1.7
229.05087	0.9
239.00937	0.6
239.03394	1.3
242.02328	0.9
243.03020	14.8
244.03537	2.1
245.04678	1.0
254.02182	1.8
255.03015	33.7
256.03671	4.5
256.17889	0.6
257.04578	4.9
259.02521	1.0
263.12903	7.1
271.02536	43.8
272.03214	12.1
273.03799	1.5
282.01804	1.0
283.02524	8.8
284.03137	0.8
285.04187	1.0
300.02811	49.5
301.03546	27.4
302.03979	1.7
315.01831	1.3
316.02289	2.6
329.15204	1.8
330.03720	1.6
331.17740	2.4
343.07010	1.1
419.19107	0.8
463.08908	100.0
463.21686	3.7
464.09222	13.1
471.62000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	4.3
59.01266	100.0
59.34367	1.8
62.70772	1.6
71.01270	67.7
71.58183	2.2
72.99191	6.6
73.02832	3.8
76.45720	1.8
83.01241	1.9
85.02847	11.5
87.00773	7.2
89.02339	81.8
93.03347	3.4
95.01292	4.1
96.95920	13.0
98.02342	2.1
101.02352	36.3
113.02355	30.9
118.97535	2.0
119.03408	34.7
131.03416	4.2
137.02338	7.8
143.03409	7.0
149.04529	3.4
151.07571	2.6
153.09077	2.6
161.04506	11.3
165.09111	2.4
167.07063	3.4
179.05569	19.9
179.10808	2.1
179.79243	2.0
203.03174	1.8
203.10733	7.5
206.09508	4.5
221.11856	13.1
239.12904	2.8
401.18311	22.7
454.08206	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03336	2.1
58.00479	2.5
59.01262	87.1
60.01615	1.1
61.98746	1.2
66.55494	0.7
69.97851	3.0
70.55433	0.9
71.01268	42.9
72.99192	5.4
73.02834	23.3
75.00754	2.2
83.01289	3.7
83.13005	0.8
85.02840	8.7
87.00766	3.1
89.02337	42.5
93.03359	1.5
95.01316	2.9
99.00780	1.4
99.04414	20.9
99.05003	1.6
100.04757	1.1
101.02345	25.6
111.00816	1.6
113.02348	17.9
115.00307	1.0
119.03413	19.6
119.04964	2.6
123.08088	0.9
125.02412	1.4
131.03456	2.5
133.01385	2.0
133.61530	0.9
141.08987	0.8
143.03468	3.7
149.04488	4.0
151.00317	4.4
161.04503	6.0
165.01912	0.8
177.01918	2.0
178.99855	0.9
179.05563	11.7
181.12277	4.6
182.82289	0.9
193.05051	1.4
195.10228	6.8
205.01360	0.9
207.10170	1.1
225.11452	1.6
237.11555	0.8
241.29338	0.8
247.04170	0.8
255.03027	4.9
257.08255	1.1
269.04578	1.5
271.06116	7.6
272.06860	1.2
281.17627	100.0
282.17984	9.0
283.02591	3.9
284.03323	1.5
297.04233	3.0
298.05017	2.7
299.02206	3.4
299.05917	3.1
299.09225	1.3
313.12164	0.9
357.02704	2.2
387.13943	1.8
401.21887	1.5
443.23279	1.2
461.11688	6.8
461.24228	34.4
462.11359	1.8
462.24646	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	463.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60159	0.3
59.01250	1.0
63.02275	0.8
65.00201	1.5
69.54268	3.1
69.54623	0.4
71.01250	1.7
73.02821	0.4
76.67027	0.5
83.01267	1.4
85.02834	0.6
89.02338	0.5
93.03384	0.5
101.02338	1.3
107.01280	3.4
108.02085	2.1
109.02875	1.9
113.02331	0.6
121.02865	2.7
135.00795	1.6
136.99228	0.4
139.64302	0.4
148.01553	2.1
149.02365	0.6
151.00294	12.0
152.00851	0.6
153.01848	0.4
159.04420	0.4
161.04556	0.7
163.00333	2.9
164.01102	0.8
165.01782	0.7
169.01378	1.0
175.04056	0.4
178.99829	6.6
183.04477	0.8
187.03880	0.6
188.04726	0.4
190.99742	0.6
192.00636	0.7
199.03949	1.1
199.43251	0.4
201.05452	0.5
211.03996	1.4
215.03510	1.0
216.04285	0.7
226.02693	2.7
227.03529	3.8
228.04257	0.5
229.05013	0.6
243.00487	0.9
243.02992	16.6
244.03473	1.2
245.04617	1.4
254.02214	3.2
255.03021	32.4
256.03479	2.7
265.76877	0.4
271.02521	75.0
272.02991	8.0
273.03894	1.3
283.02567	1.2
287.01950	0.5
299.01999	1.6
300.02792	100.0
301.03510	45.8
302.03918	3.3
316.02197	1.8
317.03159	0.5
331.17844	2.0
343.04584	0.6
463.08893	82.3
464.09195	10.5
483.79001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25427	0.2
55.42410	0.2
57.03337	0.8
59.01265	8.4
60.01604	0.2
61.12284	0.2
61.98709	0.5
62.56686	0.2
65.00205	0.6
67.01799	0.2
71.01270	3.3
71.61385	0.3
72.99203	1.7
73.02850	0.6
74.02369	0.2
75.00764	68.6
76.01102	0.7
77.52916	0.2
81.03353	3.6
83.01269	2.2
85.02847	1.3
87.00771	0.7
88.15304	0.2
89.02339	2.5
93.03371	0.5
94.16268	0.2
95.01279	0.5
95.04918	0.9
97.02853	0.7
99.00766	0.4
99.04445	0.3
101.02363	1.4
107.01330	0.4
113.02358	1.2
119.03413	1.0
121.02890	0.3
122.77074	0.2
123.04442	29.1
124.04781	1.1
125.02374	4.4
129.01830	0.2
130.99333	0.2
131.01328	0.3
131.03476	0.4
135.04468	0.6
137.02374	0.9
137.06061	0.2
137.09631	0.2
139.03947	0.7
143.03409	0.4
149.02402	1.3
149.04520	0.3
151.00362	1.0
151.03938	0.7
152.01070	0.2
153.00662	0.4
153.09138	0.3
159.02959	0.2
161.04524	0.5
163.03925	1.2
164.24519	0.2
165.01965	0.3
165.05507	0.4
166.02695	0.5
167.03453	100.0
168.03835	4.8
170.31699	0.2
175.00340	1.2
179.03442	0.7
179.05559	1.3
179.10756	0.5
180.04256	0.5
181.05028	2.3
181.94467	0.2
187.06331	0.4
191.03477	19.7
192.03799	1.2
203.10777	0.8
206.09477	0.2
209.04556	5.5
217.07381	0.2
221.04655	1.0
221.11823	5.0
222.12048	0.2
223.13356	0.2
233.04498	1.0
239.12886	0.4
249.06345	0.2
327.13474	0.3
339.13547	0.6
357.14737	0.4
371.12454	0.4
401.18332	0.8
418.70416	0.2
461.13074	38.1
462.13373	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	461.1313
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
54.94401	0.2
57.03341	0.8
59.01263	8.7
61.98717	0.7
65.00213	0.6
66.82868	0.2
68.99698	0.2
69.03333	0.4
71.01271	3.6
71.59861	0.4
72.99195	1.8
73.02831	1.0
74.02366	0.3
75.00764	74.8
76.01099	0.6
81.03349	3.7
81.03787	0.4
83.01260	2.3
83.04919	0.3
85.02839	1.4
87.00775	0.8
89.02338	3.2
90.75496	0.2
91.00285	0.2
93.03341	0.5
95.01275	0.4
95.04913	0.9
97.02846	0.8
99.00777	0.4
99.04405	0.4
101.02345	1.7
107.01303	0.4
109.02866	0.4
109.07552	0.2
113.02350	1.6
115.03880	0.2
119.03442	1.2
121.02911	0.5
123.04440	30.5
124.04771	1.0
124.24155	0.2
125.02364	4.5
129.01854	0.4
131.01320	0.3
131.03418	0.3
135.04422	0.5
137.02348	0.9
137.06036	0.3
139.03926	0.6
141.01845	0.3
143.03445	0.3
149.02357	1.4
151.00330	1.0
151.03935	0.8
152.01013	0.3
153.00609	0.4
161.04495	0.9
161.09642	0.2
163.03954	1.0
165.01797	0.2
165.05478	0.4
165.09178	0.4
166.02684	0.7
167.03448	100.0
168.03828	4.5
173.02417	0.2
174.05659	0.2
175.00334	1.4
179.03482	0.7
179.05576	2.2
179.10736	0.8
180.04309	0.3
181.05038	2.4
187.06323	0.2
191.03471	19.7
192.03809	0.9
193.05031	0.3
203.10777	0.9
206.09477	0.4
209.04544	6.3
210.04910	0.3
221.04553	0.9
221.11819	6.3
222.12175	0.2
223.13397	0.4
233.04575	1.1
239.12885	0.5
269.10583	0.4
339.13489	0.6
353.11319	0.3
357.14578	0.7
371.12418	0.5
401.18234	0.9
461.13062	42.0
462.13351	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	461.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
69.47672	7.9
69.48012	1.5
71.01264	3.7
73.02831	2.5
82.37062	0.9
89.02341	20.9
96.95926	2.2
103.03934	2.4
119.34869	0.9
131.03430	6.8
149.04504	100.0
150.04831	1.9
152.40846	0.9
176.88475	1.0
369.59116	1.1
408.47980	0.9
486.28253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1101
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
54.76024	0.5
56.73538	0.5
59.01263	8.7
65.00203	0.9
69.22517	1.8
69.22942	3.3
71.01261	1.9
72.99200	0.5
73.02827	1.0
83.01266	0.6
85.02859	0.6
89.02325	1.4
94.26276	0.5
101.02337	1.0
101.41229	0.5
104.58662	0.5
107.01324	0.7
124.01550	0.5
125.02366	1.1
131.04898	0.5
133.01334	0.5
135.00818	0.6
151.00302	3.3
153.01849	0.8
157.02887	0.5
163.00233	0.6
164.01135	0.7
169.01326	0.5
171.04437	0.7
178.99940	0.6
183.04324	0.8
187.03885	0.8
199.04018	5.5
201.01913	1.6
203.03548	0.7
215.03519	5.5
219.13879	0.7
225.01936	0.8
226.02780	0.7
227.03497	6.1
229.01315	0.8
242.02216	10.0
243.03014	46.0
244.03368	4.2
250.21255	0.4
255.03006	4.6
257.04590	13.4
258.04977	1.4
269.99521	0.3
270.01761	13.4
271.02530	50.4
272.02908	4.5
280.84940	0.5
281.17618	2.5
285.04105	25.0
286.04788	8.3
287.05426	0.7
299.02032	16.8
300.02783	14.6
301.03113	0.8
314.04385	52.1
315.05133	37.2
315.07849	0.7
315.08936	1.0
316.05518	2.6
357.06122	1.1
401.12558	0.6
461.10992	100.0
462.11346	13.6
462.17584	0.8
464.53326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2612
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01775	0.7
57.03342	0.9
58.00502	0.4
59.01266	100.0
59.18050	0.2
60.01604	1.2
69.03324	0.3
69.31220	0.9
69.31647	1.5
71.01272	13.2
72.99238	0.3
73.02837	5.5
75.00762	0.3
83.01279	1.9
84.02048	0.2
85.02849	4.2
87.00778	1.2
87.04411	1.2
87.79324	0.2
89.02344	5.0
90.68491	0.2
95.01279	1.3
97.02885	0.6
98.20622	0.4
99.00786	1.5
101.02346	9.0
104.42641	0.2
111.00817	1.1
112.01611	0.4
113.02357	6.7
119.02103	0.3
119.03413	2.5
125.02381	1.0
131.03488	0.3
143.03407	1.1
159.02953	1.0
161.04514	4.7
169.12352	0.3
179.05624	0.5
183.13969	0.4
227.16576	0.3
239.16507	0.3
251.03966	0.2
255.19727	0.9
297.20862	0.3
325.20236	0.2
329.19928	0.6
381.23007	0.5
399.23950	15.3
400.24329	1.8
417.25052	13.5
418.25208	1.5
459.19891	1.0
459.25885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2914
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.47915	1.1
70.48318	0.9
72.46600	0.5
78.70930	0.5
85.68613	0.5
107.04930	28.1
107.71109	0.6
108.05331	0.7
152.99626	0.6
163.11232	100.0
164.11572	5.1
224.07378	0.7
235.36220	0.5
283.17093	27.5
284.17444	2.5
291.09122	0.7
295.17102	13.2
296.17471	1.3
343.67773	0.7
381.64398	0.6
459.29144	65.7
460.29446	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3491
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
59.01264	3.3
71.04902	1.2
71.85335	0.4
76.40147	0.4
78.95802	1.1
89.45411	0.4
90.94047	0.3
111.74673	0.4
130.06186	0.4
152.99524	3.2
179.14435	0.5
189.12845	5.4
190.13123	0.4
191.14453	1.5
195.17467	0.4
204.41597	0.4
205.15971	9.0
206.16328	0.9
207.17529	19.4
208.17958	1.2
221.15500	0.9
229.59857	0.5
251.16617	3.4
253.18130	1.9
277.21786	1.9
397.31125	0.9
399.32806	8.3
400.33194	1.2
415.35907	16.9
416.36447	2.4
425.30927	0.7
441.33960	1.3
459.34988	100.0
460.35306	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	459.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03344	1.2
58.00480	1.0
59.01265	100.0
60.01600	1.1
61.98750	0.2
69.03338	0.5
69.50377	0.7
69.50803	1.3
71.01270	27.4
71.04913	0.3
72.01618	0.4
72.99198	1.4
73.02835	14.7
75.00761	0.5
81.06992	0.4
83.01279	4.4
83.04929	0.6
85.02844	7.6
87.00771	2.3
87.04416	0.9
88.53366	0.2
89.02336	19.9
90.02675	0.4
95.01289	1.7
97.02868	0.5
98.19717	0.4
99.00777	1.6
101.02346	22.9
102.02700	0.4
111.00809	0.6
113.02357	11.8
114.02766	0.4
115.07545	0.2
119.03412	7.2
120.03767	0.3
125.02378	1.1
131.03413	1.7
137.09669	1.1
141.09018	0.3
143.03447	2.3
149.04468	1.7
159.02942	0.6
159.10260	0.6
161.04503	5.9
165.09181	0.8
179.05579	3.6
203.05693	0.4
221.06638	0.3
224.46541	0.2
239.16554	0.6
253.18172	0.4
255.06700	0.3
255.16939	0.4
255.19685	7.8
256.20081	0.3
297.20874	0.3
327.18344	0.6
399.23978	14.5
400.24237	1.7
400.86783	0.2
417.25034	25.8
418.25369	3.2
459.26266	7.0
460.26910	0.9
470.61261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15539	0.1
54.63992	0.1
55.01776	0.5
57.03340	0.7
58.00468	0.3
59.01265	100.0
60.01601	1.3
61.98703	0.2
64.77578	0.1
69.03346	0.2
69.43902	0.3
69.44321	0.7
71.01270	8.2
72.99217	0.2
73.02843	2.4
83.01273	1.2
85.02850	3.7
87.00797	0.3
87.04409	1.1
89.02327	1.8
95.01294	0.8
97.02913	0.2
99.00777	1.0
101.02346	3.8
113.02357	6.8
113.92170	0.1
114.02721	0.2
119.03435	0.5
121.41850	0.1
125.02381	0.2
131.03427	0.1
143.03455	0.4
149.04480	0.1
151.03923	0.2
159.02977	0.4
161.04514	2.9
161.05905	0.2
179.05623	0.1
191.03511	0.8
193.12384	0.3
255.19827	0.4
269.04742	0.2
297.07828	0.4
399.23947	7.8
400.24380	1.0
403.08292	1.0
417.25027	3.1
418.10825	0.2
418.25546	0.4
431.15161	0.5
459.14548	0.4
459.26550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
55.09732	0.4
57.03349	1.0
58.00481	1.0
59.01267	100.0
60.01605	1.2
61.98710	2.2
68.42931	0.4
69.03349	0.7
69.33939	1.5
69.34360	4.3
71.01273	24.0
72.99208	1.4
73.02837	28.0
75.00777	1.2
83.01275	7.1
85.02837	4.3
87.00787	1.1
88.22282	0.6
89.02346	7.9
95.01305	1.1
95.50266	0.5
99.00769	1.0
99.04475	0.6
101.02349	28.5
102.02712	0.7
113.02355	8.9
119.03448	2.5
121.02901	4.5
125.02362	1.2
125.26821	0.5
131.03455	1.6
137.02319	0.5
143.03452	1.9
149.04518	1.8
150.06984	0.5
155.03462	0.8
161.04523	6.2
165.09206	0.7
179.05533	0.7
193.12320	3.2
211.13412	0.7
255.06798	0.5
269.04837	0.7
278.63431	0.5
305.51831	0.5
351.39725	0.5
355.17908	1.0
373.18790	4.6
399.24109	4.1
410.04068	0.6
415.19833	17.4
416.20502	1.8
417.25049	1.1
459.22733	1.9
461.33939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
55.09732	0.4
57.03349	1.0
58.00481	1.0
59.01267	100.0
60.01605	1.2
61.98710	2.2
68.42931	0.4
69.03349	0.7
69.33939	1.5
69.34360	4.3
71.01273	24.0
72.99208	1.4
73.02837	28.0
75.00777	1.2
83.01275	7.1
85.02837	4.3
87.00787	1.1
88.22282	0.6
89.02346	7.9
95.01305	1.1
95.50266	0.5
99.00769	1.0
99.04475	0.6
101.02349	28.5
102.02712	0.7
113.02355	8.9
119.03448	2.5
121.02901	4.5
125.02362	1.2
125.26821	0.5
131.03455	1.6
137.02319	0.5
143.03452	1.9
149.04518	1.8
150.06984	0.5
155.03462	0.8
161.04523	6.2
165.09206	0.7
179.05533	0.7
193.12320	3.2
211.13412	0.7
255.06798	0.5
269.04837	0.7
278.63431	0.5
305.51831	0.5
351.39725	0.5
355.17908	1.0
373.18790	4.6
399.24109	4.1
410.04068	0.6
415.19833	17.4
416.20502	1.8
417.25049	1.1
459.22733	1.9
461.33939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	0.9
57.03344	5.4
58.00463	1.5
59.01265	77.4
60.01617	0.7
61.98732	1.4
67.01768	0.9
67.82915	0.6
68.99680	1.1
69.03336	2.2
71.01270	24.6
71.62978	0.6
72.99196	5.8
73.02811	2.9
75.00362	1.0
75.00764	14.6
76.88100	0.6
77.04233	0.6
82.44730	0.6
83.01278	2.4
83.04920	1.7
85.02843	26.7
87.00771	6.5
89.02338	9.4
95.01289	7.4
97.06470	1.3
99.00781	11.5
99.04417	1.2
101.02340	5.9
103.00284	2.5
111.00802	0.9
111.08054	3.4
113.02361	26.2
114.02738	1.0
115.00290	1.8
117.01852	2.5
119.03406	2.5
127.03941	1.3
129.01859	1.9
131.03394	1.0
141.74992	0.6
143.03377	1.0
147.07504	0.7
149.09692	0.6
161.04506	2.1
161.71010	0.8
165.12802	22.0
166.13174	1.5
175.02429	2.6
179.05573	1.4
183.13869	100.0
184.14192	5.2
187.06084	1.0
191.10905	0.7
193.03471	1.7
205.07149	4.7
209.11807	6.7
227.12868	10.4
249.06198	3.7
301.16617	1.2
339.61435	0.6
399.23956	8.7
400.24451	1.1
415.19827	53.9
416.20108	6.3
456.74118	0.7
459.18845	70.4
460.19208	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	459.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
59.01263	100.0
60.01595	1.0
64.42625	0.1
69.40793	1.1
71.01267	3.4
73.02840	0.7
79.03284	0.1
83.01302	0.4
85.02846	1.0
87.00784	0.2
89.02335	2.6
95.01254	0.3
99.00793	0.3
101.02351	2.1
113.02346	1.5
116.73810	0.1
119.03426	0.7
121.02863	0.2
143.03490	0.3
149.04433	0.2
161.04527	1.3
165.05473	0.3
165.64822	0.1
177.09183	0.4
179.05650	0.4
195.10266	0.9
203.05586	0.2
280.96271	0.2
304.27362	0.1
339.14511	1.4
357.15625	3.2
399.16684	6.1
400.16885	0.8
410.46906	0.1
459.19003	1.1
460.18524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.2
58.00481	0.2
59.01265	5.6
69.03350	0.4
71.00903	0.4
71.01273	5.4
71.08004	0.4
72.99205	0.6
73.02837	0.4
75.00759	0.4
81.03339	0.2
83.01261	0.5
85.02847	1.7
87.00780	0.6
89.02338	5.5
91.05430	0.3
95.01289	0.4
95.04924	0.6
97.02853	0.8
99.00777	0.8
99.04401	0.5
101.02348	1.6
106.04139	0.4
107.04939	0.6
108.02079	1.1
109.02868	0.3
109.06448	0.2
109.99994	0.4
111.00764	0.2
113.02349	1.6
117.01825	0.2
117.03362	0.4
119.03340	0.3
119.04937	1.1
121.02887	0.9
121.06524	0.5
122.03641	0.3
123.00790	0.2
123.04446	0.6
124.01591	3.6
125.02388	1.6
129.01907	0.2
131.03406	1.3
133.06520	3.8
134.06873	0.3
135.04451	2.2
136.01648	0.2
136.04761	0.4
137.02379	3.6
137.06007	5.3
138.06296	0.3
147.04459	2.4
149.02344	0.7
149.04503	1.5
149.05759	0.3
150.03162	11.9
151.03539	0.3
161.04532	0.4
162.31451	0.2
163.03934	2.2
164.04552	1.9
165.05524	100.0
166.05855	4.6
166.07274	0.3
191.05580	0.6
198.67027	0.2
233.06654	0.5
235.13309	0.2
269.76663	0.2
279.16043	1.5
280.16669	0.2
289.47321	0.2
293.08817	2.4
294.09140	0.3
311.05396	0.2
391.65561	0.2
459.15167	14.5
459.22003	0.5
460.15482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1521
Annotation	Paeonolide
Peak:m/z	Relative Intensity
52.63059	0.3
54.47697	0.3
55.81168	0.3
58.00496	0.3
59.01264	10.0
61.89036	0.3
61.98698	0.5
65.00208	0.5
66.34483	0.3
67.46412	0.3
69.03345	0.4
69.17426	0.3
71.01266	5.7
71.59492	0.4
72.99200	1.5
73.02834	0.8
75.00758	1.0
78.55080	0.3
83.01286	0.7
85.02846	1.3
87.00769	0.7
89.02332	5.6
91.05439	0.4
93.03373	0.6
95.01245	0.4
95.04907	1.1
97.02860	0.8
99.00797	0.9
101.02339	1.7
106.04144	0.7
107.01312	0.4
107.04943	1.2
108.02059	0.8
109.02858	0.6
110.00017	0.6
111.00857	0.4
113.02331	1.7
119.03454	0.4
119.04949	1.6
121.02883	1.3
121.06481	0.4
123.00854	0.4
123.04374	0.6
124.01572	4.9
125.02374	0.9
131.03418	1.2
133.06529	3.3
135.04448	3.2
136.04796	0.7
137.02357	4.6
137.06027	5.2
147.04437	3.4
149.02399	0.6
149.04465	1.9
149.05942	0.5
150.03165	14.3
151.00299	2.2
151.03502	0.7
161.04506	0.4
163.03897	2.4
164.04549	2.3
165.05521	100.0
166.05843	4.4
191.05515	0.4
226.61067	0.3
231.51366	0.3
285.55710	0.3
293.08871	1.5
399.10190	0.4
441.14005	0.7
459.15210	8.2
460.15427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1462
Annotation	BE-24566B
Peak:m/z	Relative Intensity
52.59801	0.5
53.93837	0.5
54.36194	0.5
54.47204	0.5
55.64622	0.5
59.01262	12.2
61.98716	1.2
63.72386	0.5
69.82459	2.6
71.01266	1.8
77.87337	0.5
89.02374	0.6
96.95930	0.6
97.89628	0.6
98.19772	0.7
101.02359	1.8
109.02857	2.9
113.02374	0.8
121.02894	2.0
123.41153	0.5
135.04463	1.8
145.02901	0.7
146.03658	2.2
147.04425	1.2
148.05238	1.0
149.06024	16.7
150.06409	0.9
158.03691	1.3
159.04427	5.5
159.27557	0.6
161.04782	0.6
161.06039	15.4
162.06358	1.3
172.05247	0.7
173.06058	1.6
175.07585	2.5
185.06062	1.8
186.03145	1.4
187.04059	1.0
187.07607	0.5
198.06883	1.1
199.03914	1.1
199.07571	1.1
200.04793	2.4
201.05542	13.2
209.06090	0.8
211.04039	0.7
211.07567	1.1
212.04872	1.3
213.05569	2.0
213.09212	1.1
214.06371	1.3
215.07063	1.7
217.04880	0.5
223.07651	0.9
225.05537	1.7
225.09244	1.4
226.06331	1.8
227.07111	5.1
228.07857	0.9
229.08693	1.9
235.07681	2.5
236.08316	0.7
237.05566	1.4
237.09393	1.0
238.06436	0.8
239.07095	0.9
239.22293	0.6
240.07896	1.4
241.08743	13.7
242.09045	0.7
251.07059	1.4
252.07977	2.0
253.08765	13.2
254.09387	3.4
255.10167	0.8
260.06873	0.8
264.07907	0.6
265.08676	3.5
266.09354	0.6
267.06653	0.9
279.10431	0.8
281.05307	0.5
281.08313	2.3
281.11508	0.7
309.07782	0.6
331.10165	0.7
333.07770	0.9
343.09772	1.0
345.11398	0.8
347.08987	0.9
359.09412	1.9
360.09708	0.9
361.10941	1.5
362.11749	3.8
363.11945	0.6
372.10211	0.6
373.10788	1.3
374.11588	1.8
385.14594	1.3
399.24655	1.1
401.08875	1.2
401.13834	0.8
403.15588	26.0
404.16217	4.2
413.13977	1.3
415.15598	5.0
418.10370	1.5
431.15045	21.5
432.15176	3.0
441.13556	0.9
459.14606	100.0
460.14932	15.7
478.88730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3333
Annotation	Platanic acid
Peak:m/z	Relative Intensity
51.64875	0.3
57.03327	0.3
58.96083	0.3
59.01265	3.3
60.99185	0.7
65.55145	0.3
69.54739	2.4
71.01258	1.4
71.04912	0.7
78.18760	0.3
78.73941	0.3
87.00770	0.5
89.02317	2.1
101.02330	0.5
179.05603	0.5
179.14281	0.4
180.41820	0.4
189.12776	2.3
191.14386	1.5
205.15971	5.2
207.17537	11.5
208.17802	1.1
221.15486	0.6
233.19144	0.4
249.15036	1.0
251.16615	0.6
259.20789	0.4
272.21979	0.3
277.21805	3.7
278.22147	0.5
305.82092	0.4
313.25449	0.8
341.28464	0.9
365.25027	0.6
368.27228	0.7
369.27823	0.6
379.30234	3.9
380.30444	0.5
380.66635	0.3
381.28043	3.1
395.33130	0.8
397.31174	17.2
398.31522	3.0
413.34348	13.3
414.34564	2.5
439.32355	1.8
457.33270	100.0
458.33612	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	459.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.7
59.01264	40.2
71.01272	100.0
71.51221	6.2
72.99197	20.2
73.02843	42.4
75.27543	2.6
85.02833	5.2
87.00779	30.1
89.02335	35.5
96.95921	14.1
99.00766	3.5
101.02354	19.5
108.02061	4.7
113.02319	7.7
115.00291	27.7
116.92791	16.8
117.01852	54.4
118.05022	3.5
119.03409	8.5
129.01799	5.6
131.03409	9.9
147.02921	83.7
147.06566	5.4
149.04469	26.9
152.01050	5.4
161.04469	6.1
179.05548	8.0
188.69516	3.1
191.05478	4.2
235.57787	2.8
285.06174	5.0
341.10922	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	457.3336
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
56.39103	0.5
57.03341	0.9
59.01271	2.5
60.99193	0.9
62.82100	0.4
63.44978	0.4
66.43702	0.4
74.42754	0.5
80.29560	0.4
80.83750	0.3
83.04905	0.4
87.48659	0.5
99.08024	0.4
132.10628	0.3
161.90105	0.4
219.13878	0.5
229.58200	0.4
245.51054	0.5
257.19107	0.6
259.20682	1.5
273.22330	1.0
285.22311	0.5
313.25665	0.9
323.23688	0.6
325.25388	0.4
365.24927	1.8
367.26404	1.6
368.26981	1.2
369.28088	0.8
379.26306	0.6
379.30286	5.0
380.30505	0.8
381.28006	4.9
382.28467	1.2
383.29587	1.5
395.33429	2.0
397.31192	13.0
398.31494	2.3
407.26071	0.7
413.34326	3.0
414.34283	0.6
423.29147	18.9
424.29413	3.2
439.32272	16.7
440.32565	2.1
441.30020	0.8
457.33298	100.0
458.33633	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	457.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03339	0.4
58.00483	0.2
59.01266	100.0
60.01604	1.1
61.98748	0.1
69.03365	0.1
69.76622	0.8
71.01271	5.7
72.99199	0.4
73.02840	1.9
75.00758	0.2
83.01276	0.8
84.24825	0.1
85.02846	2.6
87.00788	0.4
87.04423	0.2
89.02340	1.8
95.01311	0.3
97.02892	0.2
98.20517	0.2
99.00755	0.6
101.02348	3.6
101.03013	0.2
113.02358	2.5
113.03070	0.2
114.02806	0.1
116.83015	0.1
119.03438	0.7
125.02379	0.2
143.03471	0.3
147.11745	0.1
159.02966	0.4
161.04509	2.0
179.05582	0.3
190.37752	0.1
214.80951	0.1
215.52565	0.1
293.04779	0.2
325.16730	0.2
327.18353	0.3
345.19214	1.9
346.19357	0.2
397.22665	1.0
415.23459	2.1
416.24182	0.3
457.67130	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03334	0.6
57.34255	0.2
58.00493	0.4
59.01265	100.0
59.97328	0.2
60.01601	1.1
69.62775	1.4
69.63181	0.3
71.01270	11.4
72.99184	0.3
73.02840	3.3
73.03217	0.4
73.93594	0.2
75.00771	0.2
75.19488	0.2
75.67093	0.2
82.42654	0.2
83.01289	1.3
83.05542	0.2
85.02841	3.8
87.00778	0.4
87.04403	0.5
89.02338	4.1
95.01308	1.0
99.00775	1.0
101.02348	6.7
113.02354	6.4
119.02708	0.2
119.03403	1.3
125.02379	0.4
127.16879	0.2
131.03406	0.4
143.03456	0.7
147.11732	0.4
149.04535	0.3
159.02969	0.3
161.04529	3.7
166.02647	0.2
179.05574	0.5
183.13902	0.3
273.63446	0.2
327.18201	0.7
345.19217	2.2
397.22452	2.8
415.23471	5.5
416.23895	0.6
457.18881	0.4
457.24899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26406	0.7
57.43974	0.9
68.42715	0.8
70.36592	0.7
70.91113	1.8
86.93108	0.9
94.11094	0.8
99.92477	4.0
100.93286	2.4
115.91985	100.0
116.91976	6.1
116.92764	6.1
132.92233	1.7
133.19580	0.9
143.84509	0.9
146.15265	0.9
172.31845	0.8
172.95396	5.9
202.43584	0.8
223.50302	0.8
294.23935	0.8
320.33990	1.0
432.43875	1.0
457.22714	7.2
458.22769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53936	0.2
54.22620	0.2
55.01768	2.0
55.88765	0.2
57.03337	1.8
58.00489	3.7
58.35898	0.2
59.01266	80.8
60.01598	0.7
61.98723	0.3
69.03345	8.8
69.26928	2.6
71.01270	100.0
72.01605	1.5
72.99197	4.4
73.02835	9.1
75.00754	0.7
79.01781	0.4
81.03353	5.5
81.03835	0.3
83.01279	6.1
84.02097	0.3
85.02844	14.0
86.03191	0.4
87.00777	2.4
89.02340	98.6
90.02659	1.1
95.01282	2.9
97.02852	11.5
99.00780	3.4
99.04401	0.3
101.02347	17.6
102.02704	0.4
107.01306	0.5
111.00791	1.3
113.02357	13.5
114.02702	0.6
115.03928	0.7
117.01826	0.6
119.03429	3.3
121.02901	1.2
122.03664	0.4
123.00815	0.4
125.02369	33.4
126.02708	1.2
127.03980	0.4
128.01088	0.3
129.01985	0.2
131.03427	20.7
132.03746	0.4
133.06560	0.3
135.04430	0.9
137.02354	0.3
139.03931	1.3
143.03441	3.8
145.57594	0.2
147.04459	1.6
148.05240	89.0
149.04506	21.5
149.05588	3.8
150.04794	0.6
159.02931	0.3
161.04503	2.3
163.03961	5.6
163.07599	29.3
164.04756	0.5
164.07928	2.0
167.03493	0.5
173.04517	0.9
189.25134	0.2
191.05583	9.3
192.05980	0.3
215.05630	0.3
233.06700	6.7
233.62885	0.2
251.43776	0.2
275.07834	0.3
293.08859	15.2
294.09161	1.0
359.88593	0.2
457.11780	0.3
458.14697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37872	0.1
55.01772	0.6
57.03357	0.7
58.00495	0.2
59.01268	100.0
60.01596	1.0
61.98711	0.4
71.01274	11.8
71.18398	0.2
71.18711	0.2
72.99207	0.5
73.02839	3.7
73.04797	0.2
75.00776	0.3
83.01286	1.4
85.02847	4.8
87.00793	0.8
87.04425	0.6
89.02347	5.0
90.02693	0.1
95.01305	0.9
96.69442	0.2
97.02904	0.3
99.00787	1.0
100.03949	0.3
101.02351	7.1
113.02361	5.5
114.02770	0.1
119.03427	1.7
125.02399	0.4
129.01859	0.2
131.03511	0.3
135.04463	0.2
143.03493	0.5
147.11774	0.4
149.04543	0.4
159.02968	0.5
159.06549	0.2
161.04512	3.5
161.05835	0.2
163.04025	0.2
163.07593	0.7
179.05585	0.7
205.03598	0.2
235.13463	0.3
249.10168	0.2
253.18195	0.3
283.06271	0.3
300.21982	0.2
327.18192	0.7
345.19189	1.9
387.20380	0.2
397.22406	1.9
415.23471	4.3
416.23917	0.6
421.21320	0.2
457.18735	1.4
457.24713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1726
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
53.33452	0.3
55.01772	1.5
57.03334	2.4
58.00491	2.6
59.01266	84.5
60.01602	1.1
61.98719	1.3
67.01801	0.5
69.03345	6.1
70.20180	0.4
71.01270	79.6
71.62057	0.5
71.62445	0.5
72.01614	1.5
72.99201	4.6
73.02833	8.5
75.00759	1.5
81.03349	4.3
83.01279	4.9
83.04913	0.5
85.02844	12.4
85.03363	0.6
87.00770	3.1
88.66156	0.4
89.02339	80.5
90.02679	0.7
95.01276	3.3
97.02852	7.6
99.00785	3.0
99.04424	0.4
101.02351	17.2
103.00275	0.6
111.00769	1.0
113.02362	14.2
114.02698	0.6
115.00292	0.4
115.03931	0.6
119.03413	4.1
121.06474	0.4
123.00754	0.4
125.02371	26.4
126.02700	0.8
127.03887	0.4
131.03429	16.8
133.06529	0.7
135.04413	0.7
137.02422	0.4
139.03943	0.7
143.03426	3.3
148.05240	100.0
149.04521	17.5
149.05617	4.6
159.02953	0.4
161.04546	2.9
163.03911	1.0
163.07599	45.8
164.04620	0.4
164.07896	2.5
173.04491	0.8
175.02440	1.1
179.05406	0.4
189.52318	0.4
191.05585	7.9
207.10263	0.5
233.06657	5.2
235.13423	1.0
249.06122	0.9
267.07144	0.9
293.08841	12.6
293.12091	0.8
294.09030	0.5
323.09888	0.7
397.22394	0.7
415.23648	1.0
440.54080	0.4
457.17227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1729
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
51.66661	0.2
55.01772	1.7
56.99687	0.2
57.03339	1.5
58.00483	3.7
59.01266	74.5
60.01598	0.8
61.98735	0.2
67.01759	0.5
68.99728	0.2
69.03346	8.5
71.01271	96.3
72.01593	1.4
72.99200	3.7
72.99586	0.3
73.02838	8.2
73.03249	0.4
75.00762	0.6
79.01792	0.3
81.03353	4.9
83.01279	5.4
84.02057	0.2
85.02844	13.0
86.03193	0.3
87.00772	2.8
89.02340	100.0
90.02661	1.5
93.03361	0.2
95.01292	2.9
97.02856	9.4
98.03203	0.3
99.00787	2.7
99.04406	0.4
101.02348	18.1
102.02680	0.3
105.25163	0.2
107.01291	0.7
109.02850	0.3
111.00826	0.9
111.04408	0.2
112.01600	0.2
113.02359	12.7
114.02688	0.4
115.03914	0.5
117.01768	0.2
119.03407	2.8
119.04939	0.3
121.02872	0.9
123.00842	0.3
125.02371	33.5
126.02689	1.1
127.03973	0.4
129.13493	0.2
131.03430	20.5
132.03767	0.6
135.04472	1.4
139.03955	1.7
141.18526	0.2
143.03441	3.6
147.04434	1.4
148.05241	86.8
149.04509	20.8
149.05580	3.8
150.04839	0.4
161.04491	2.2
163.03963	5.8
163.07597	28.8
164.04642	0.4
164.07954	1.5
167.03448	0.5
173.04517	0.7
191.05592	10.0
191.28719	0.2
192.05960	0.5
215.05569	0.4
229.59645	0.3
233.06671	6.5
235.95203	0.2
246.87810	0.2
264.19843	0.2
276.08505	0.2
293.08853	14.0
294.09143	1.1
307.98837	0.2
458.14853	1.1
458.20932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.7
58.00492	0.4
59.01264	26.4
60.01615	0.4
60.99194	1.3
61.98717	2.1
65.86824	0.3
69.41406	3.6
71.01273	6.1
72.99212	0.5
73.02838	17.0
74.03154	0.4
75.00764	37.0
76.01093	0.6
77.96849	0.3
83.01295	0.4
84.28701	0.3
84.42635	0.4
85.02840	1.2
87.00777	0.6
89.02345	1.2
99.00783	0.7
101.02338	1.4
103.00276	0.9
113.02367	1.1
117.01850	100.0
118.02214	2.4
122.30640	0.3
133.06519	17.6
134.06848	0.7
149.06071	0.7
161.00876	5.5
161.04509	0.7
163.03941	1.3
249.06339	0.5
264.15198	0.4
265.15436	0.4
268.03772	0.4
269.04611	1.3
270.04724	0.3
311.05667	0.6
358.17654	0.3
381.11810	2.2
397.19824	0.5
457.13467	9.0
458.13852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.6
61.98712	2.4
69.48486	1.4
69.48888	4.0
71.01270	5.0
72.99176	0.6
73.02834	1.7
75.00753	0.7
85.02838	1.7
87.00754	1.1
89.02336	2.8
99.00776	1.6
101.02351	2.1
113.02362	1.9
119.04939	100.0
120.05273	4.4
133.06499	0.5
149.04541	0.8
149.06017	0.9
161.04680	0.6
161.06070	1.0
163.03957	48.6
164.04282	2.3
203.03191	0.6
205.05064	3.0
212.30710	0.7
235.06120	1.4
255.53607	0.6
281.14038	1.1
325.09149	0.8
342.42758	0.6
457.13516	62.5
458.13858	8.1
482.61530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86647	0.3
55.01765	1.9
57.03336	2.4
58.00481	4.2
59.01265	100.0
60.01600	1.2
61.98710	0.8
68.99699	0.3
69.03345	6.5
70.03694	0.3
71.01270	90.0
71.60792	0.4
72.01619	1.4
72.99198	9.0
73.02839	10.1
75.00769	1.2
78.25978	0.3
81.03349	3.9
83.01276	7.0
83.02399	0.4
85.02844	19.8
85.99996	0.7
87.00774	8.0
89.02338	94.1
90.02676	1.1
93.03339	0.5
95.01280	5.9
97.02853	9.1
97.03474	0.5
99.00775	4.5
99.04477	0.5
101.02348	65.3
102.02685	1.5
105.01859	0.9
106.04172	0.6
107.01317	0.5
109.02872	0.6
111.00795	3.4
111.04399	0.6
113.02360	33.6
114.02680	0.8
115.03927	0.5
119.03419	48.4
120.03761	1.1
121.02908	0.4
123.00780	0.5
123.04449	1.0
125.02367	38.7
126.02694	1.1
127.03931	0.4
129.01894	0.5
131.03430	9.7
131.04965	1.2
132.05734	3.1
133.06522	56.5
134.06851	2.7
136.57553	0.3
137.02385	0.7
139.03946	2.5
141.01860	1.0
143.03433	13.7
144.03708	0.6
145.04999	1.0
149.04504	4.2
155.03542	0.4
156.14078	0.3
159.02808	0.6
161.00832	1.4
161.04498	14.8
162.04863	0.5
163.03955	0.7
167.03479	1.2
179.05574	20.8
180.05913	0.6
200.31889	0.3
203.05611	0.8
221.06668	24.3
222.07108	1.4
233.06430	0.3
245.06725	4.4
245.65965	0.3
263.07770	9.5
264.08105	0.6
295.12051	0.4
305.08936	0.4
323.09900	22.9
324.10165	1.9
427.78256	0.3
457.11975	0.6
457.17477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.8
61.98718	100.0
62.62091	0.2
69.33046	1.9
82.46704	0.2
101.34421	0.2
122.17043	0.2
135.04402	0.3
146.03719	0.3
147.04430	0.3
149.06020	2.0
159.04515	0.3
161.06149	0.2
166.15060	0.2
173.06068	0.3
188.04840	0.9
190.06337	0.3
201.05492	0.3
201.09213	0.5
202.06465	0.3
217.00398	0.8
243.10428	0.7
262.22662	0.2
263.66559	0.2
374.99536	0.6
393.17188	5.1
394.17517	0.8
455.35596	1.2
456.36047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98108	0.3
59.01260	1.8
60.01600	0.3
61.01710	0.4
61.98716	100.0
69.85373	1.8
71.01274	1.0
85.02784	0.3
85.32088	0.3
89.02325	1.9
90.02724	0.3
91.02804	0.3
101.02346	1.1
119.03464	0.3
149.04520	0.7
151.04916	0.3
254.33261	0.3
282.05444	0.4
283.06201	1.5
311.05649	4.0
311.08798	0.4
314.04443	0.4
396.18848	1.0
457.11243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.3
57.03328	0.3
58.00480	0.5
59.01267	30.2
60.99183	1.0
61.98716	3.8
71.01270	7.8
71.61905	0.5
72.99198	1.5
73.02839	18.0
75.00766	36.6
75.75579	0.3
76.01101	0.5
81.29906	0.4
85.02854	1.4
87.00773	0.9
88.98721	0.5
89.02336	1.8
95.40148	0.4
97.85326	0.4
99.00784	0.5
101.02355	1.4
103.00256	0.6
113.02362	1.5
117.01855	100.0
118.02192	2.1
120.44938	0.4
125.02382	0.4
133.06526	17.3
134.06911	0.9
136.89442	0.4
149.05952	0.6
161.00861	6.4
161.04504	0.6
163.03975	2.0
183.75719	0.4
203.05608	0.5
249.06256	0.5
263.15021	0.8
264.15298	0.6
268.03821	1.4
269.04596	1.7
288.60577	0.4
311.05777	0.5
354.76758	0.4
381.12018	2.8
397.19839	1.4
457.13495	8.6
458.13739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3539
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
54.20620	0.2
59.01262	0.4
70.76252	0.5
70.76596	0.4
73.67314	0.2
82.59212	0.3
84.13604	0.3
88.77025	0.3
171.26204	0.3
175.80042	0.3
182.69925	0.3
198.85396	0.3
255.19981	0.3
258.38828	0.4
407.32858	0.4
455.35443	100.0
456.35803	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	456.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73566	0.4
59.01252	1.3
61.98715	100.0
64.80104	0.4
71.60026	0.7
72.49134	0.3
151.83636	0.4
162.85530	0.4
217.00240	0.6
455.35620	1.4
456.36145	1.0
457.29977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91251	0.7
59.01268	5.9
61.98719	100.0
81.36582	0.6
98.19779	1.9
146.03667	0.9
149.06021	3.9
151.64799	0.6
159.04509	1.4
173.06067	1.1
174.03171	3.6
175.07640	4.3
185.05986	1.1
188.04770	1.2
189.00832	0.8
189.05627	2.0
203.07124	14.6
203.08876	1.1
204.07889	6.1
216.07887	0.6
217.00256	4.9
218.66920	0.7
231.06248	0.7
243.10387	1.6
245.11876	9.2
251.09521	0.7
374.99487	1.9
393.17151	11.7
394.17554	1.9
455.35501	1.9
456.36078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
61.98718	100.0
66.59045	0.1
69.62605	0.8
69.63015	0.2
96.41600	0.1
98.20482	0.1
119.29481	0.1
147.04497	0.1
149.06020	0.8
154.76018	0.1
159.04431	0.2
166.65974	0.2
173.06003	0.2
174.99162	0.3
202.06383	0.4
203.07103	0.2
204.07910	0.4
217.00311	0.8
224.26459	0.1
243.10365	0.3
245.11861	1.0
374.99045	0.3
393.17203	3.2
394.17520	0.5
455.35638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73206	0.3
54.82651	0.3
57.03338	0.4
58.00495	0.4
59.01264	100.0
60.01604	1.1
61.98724	1.3
62.15073	0.3
62.15386	0.3
69.03353	0.3
71.01267	11.5
72.99190	0.7
73.02827	2.6
75.00764	0.8
83.01294	1.2
85.02834	3.2
87.00792	0.6
89.02335	10.2
95.01328	0.8
98.19794	0.7
99.00809	1.1
99.04449	0.3
100.03884	0.3
101.02345	6.8
109.02916	0.3
112.01575	0.7
113.02355	4.8
119.03413	3.7
125.02351	0.3
128.03464	0.3
131.03445	0.5
137.09674	2.3
137.10704	0.4
143.03505	1.1
149.04480	0.6
159.02991	0.8
161.04504	6.7
161.05855	0.3
163.11276	1.2
172.37460	0.3
179.05568	2.2
183.13966	0.6
189.12770	0.4
205.03618	0.3
233.15514	1.5
251.16722	0.7
261.87851	0.3
273.03238	0.3
300.21704	0.4
306.87109	0.3
374.15009	0.4
392.67722	0.3
395.21103	0.8
413.22278	0.5
455.17337	0.4
455.22861	1.1
455.29697	0.7
455.35471	3.5
456.36426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36277	0.5
57.03338	12.1
57.17887	0.7
59.01233	1.2
60.99163	1.2
71.29695	1.1
75.39439	0.6
83.04934	4.3
99.34092	0.8
103.42879	0.8
104.74978	0.8
111.08023	1.7
231.17389	2.1
271.20612	0.9
311.23816	1.2
325.25412	8.0
326.25458	1.1
341.28171	1.6
377.28574	9.5
378.28564	1.6
381.27588	1.0
393.31802	4.5
395.29614	8.8
411.32828	4.2
437.30383	1.8
455.31314	100.0
456.31729	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	455.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55186	4.8
59.01265	83.6
69.18860	4.7
70.72271	4.8
70.72624	16.7
71.01264	55.8
73.02836	9.4
82.91656	4.9
85.02841	9.9
89.02338	100.0
101.02344	33.3
113.02367	13.5
113.30874	4.6
119.03425	19.8
131.03458	23.3
149.04526	37.5
172.32124	4.5
179.05551	13.6
191.05598	8.6
235.61143	4.5
393.83945	4.8
395.10965	5.6
395.15594	27.6
395.20065	5.2
416.49582	5.2
455.35291	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	455.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73206	0.3
54.82651	0.3
57.03338	0.4
58.00495	0.4
59.01264	100.0
60.01604	1.1
61.98724	1.3
62.15073	0.3
62.15386	0.3
69.03353	0.3
71.01267	11.5
72.99190	0.7
73.02827	2.6
75.00764	0.8
83.01294	1.2
85.02834	3.2
87.00792	0.6
89.02335	10.2
95.01328	0.8
98.19794	0.7
99.00809	1.1
99.04449	0.3
100.03884	0.3
101.02345	6.8
109.02916	0.3
112.01575	0.7
113.02355	4.8
119.03413	3.7
125.02351	0.3
128.03464	0.3
131.03445	0.5
137.09674	2.3
137.10704	0.4
143.03505	1.1
149.04480	0.6
159.02991	0.8
161.04504	6.7
161.05855	0.3
163.11276	1.2
172.37460	0.3
179.05568	2.2
183.13966	0.6
189.12770	0.4
205.03618	0.3
233.15514	1.5
251.16722	0.7
261.87851	0.3
273.03238	0.3
300.21704	0.4
306.87109	0.3
374.15009	0.4
392.67722	0.3
395.21103	0.8
413.22278	0.5
455.17337	0.4
455.22861	1.1
455.29697	0.7
455.35471	3.5
456.36426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1701
Annotation	Kushenol G
Peak:m/z	Relative Intensity
57.03319	0.9
59.01266	28.9
60.01607	0.7
61.98713	2.6
68.56352	0.7
68.56699	0.5
70.63107	2.0
71.01272	4.8
73.02836	1.2
76.12483	0.6
78.95793	40.6
83.01279	1.0
85.02840	1.3
86.52717	0.6
89.02342	5.1
96.96871	3.4
101.02352	3.6
103.03897	0.6
111.08066	1.6
113.02351	2.7
119.03432	1.9
149.06007	0.9
150.97884	0.6
152.99525	47.1
153.49916	0.5
153.99910	0.8
161.04459	1.0
165.12799	20.6
166.13150	1.6
171.00578	7.5
179.05592	0.9
181.12320	0.7
183.13872	90.3
184.14220	4.7
191.10788	1.1
209.11836	2.6
227.03252	3.5
227.12889	31.2
228.13234	1.1
245.04401	1.6
363.12106	2.4
381.13055	1.0
437.15839	2.7
455.16962	100.0
456.17300	11.3
456.22931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43727	0.3
59.01262	4.1
61.98718	9.2
65.47542	0.3
69.33800	1.0
69.34214	2.1
71.01276	2.3
72.63233	0.3
73.02839	0.6
85.02830	0.7
89.02329	1.0
99.00787	0.4
101.02354	1.9
109.05246	2.0
110.06028	1.6
113.02378	0.5
118.06549	2.8
120.04517	0.4
121.05259	9.1
122.06060	2.5
123.06849	2.9
124.07591	0.7
125.02361	0.4
131.03467	0.9
131.27130	0.3
135.04462	0.3
138.05498	0.4
139.06323	1.2
146.06059	17.3
147.06505	0.6
150.05542	0.3
161.04558	0.6
168.06613	0.4
179.05801	1.3
183.10504	0.3
190.07373	0.5
199.08786	0.4
212.10835	2.1
213.10263	1.4
217.09660	0.3
223.38419	0.3
225.06699	0.3
225.10352	0.6
226.07397	1.5
226.12454	1.4
227.08269	14.2
227.11731	0.6
228.08511	0.9
239.08162	0.4
240.09047	0.7
241.09845	21.0
242.10516	6.3
243.11284	0.8
253.09956	1.6
254.10555	0.7
255.11438	13.1
256.11771	1.8
263.15112	1.8
267.11389	1.9
268.12192	3.1
269.12985	6.7
270.13724	4.0
271.11011	0.9
271.14600	0.4
273.07996	0.5
274.09729	0.4
279.32980	0.3
285.12677	0.6
286.13275	2.6
288.11243	1.6
289.11902	0.3
300.11243	5.5
301.11713	0.7
302.12823	4.1
307.44174	0.3
313.12073	0.6
314.12747	2.3
318.12247	1.9
380.19894	3.3
381.19830	0.4
392.19824	7.8
393.20313	0.9
395.19305	3.1
410.20963	2.2
424.18887	0.9
436.18872	5.8
437.19168	0.5
454.19934	100.0
455.20279	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	453.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.2
57.03344	2.7
58.00477	0.6
59.01266	37.1
60.01600	0.8
61.98712	2.1
62.71775	0.6
63.35212	0.5
71.01272	37.6
71.59930	0.8
71.60348	0.9
72.99197	1.3
73.02837	15.4
75.00749	0.8
75.90410	0.5
76.97529	0.5
81.03357	0.8
83.01276	6.9
85.02846	21.3
85.99998	0.7
87.00769	3.2
88.26953	0.5
89.02341	7.1
89.62572	0.6
92.63578	0.6
95.01311	2.2
96.95895	1.1
97.02840	1.1
98.95493	0.9
99.00784	8.3
101.02347	46.5
102.95987	0.6
111.00759	1.0
113.02358	20.8
125.02384	1.4
129.01813	1.7
131.03423	1.7
141.01762	0.6
143.03429	2.3
144.84973	0.6
149.04556	1.0
159.02910	4.2
161.04506	24.6
162.04790	0.8
261.13489	97.2
262.13864	7.2
270.36444	0.6
305.12546	1.3
359.41345	0.6
393.17746	100.0
394.18054	11.9
453.23743	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	453.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
58.02865	6.3
59.01265	17.4
59.78623	0.5
61.98713	4.2
70.02853	0.8
70.50222	0.5
70.74393	0.5
71.01267	7.7
71.60308	0.5
71.60780	0.9
72.04449	0.6
72.99176	0.9
73.02832	1.7
74.02361	12.0
75.00752	1.1
82.87778	0.5
83.01257	0.9
84.04436	10.6
85.02841	2.1
86.02366	3.0
86.96138	0.5
87.00761	1.4
87.01398	0.4
89.02351	3.8
92.04955	5.8
93.03368	0.5
95.01274	0.6
96.95865	0.8
97.02884	0.6
98.02383	6.6
99.04443	0.6
101.02348	4.7
106.32005	0.5
110.02386	3.5
113.02373	2.7
116.03453	6.6
116.04915	0.8
118.02901	2.0
118.06551	0.9
120.04511	0.9
125.02361	0.7
128.03461	21.5
129.03789	0.7
130.06543	1.6
131.03694	19.1
132.04486	25.1
133.04829	1.0
134.06058	0.7
137.02472	0.5
140.04985	1.6
143.03410	0.6
144.04488	11.4
146.06062	1.9
149.04532	1.0
157.07648	13.3
158.06067	15.9
159.06439	0.8
160.03993	1.5
161.04486	1.4
165.01826	0.9
175.08728	12.6
176.08998	1.0
179.05505	0.5
189.06711	0.6
189.09128	0.5
199.08740	3.5
201.06670	3.6
202.05119	0.5
207.07732	0.8
217.09799	3.3
219.07753	12.6
243.07852	3.8
249.15094	0.7
257.09344	1.1
261.08847	100.0
262.09195	8.1
274.16660	0.5
280.09906	1.1
367.13031	0.6
373.19019	0.6
393.18198	0.7
393.24850	0.7
409.14096	11.3
410.14331	1.5
453.18549	1.0
453.29568	0.7
454.19757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37332	0.6
57.83577	0.6
59.01266	4.4
61.98720	1.7
70.18301	1.0
70.18693	2.4
71.01288	0.9
89.02344	2.0
101.53014	0.7
109.02882	2.6
122.03619	1.1
123.04417	1.1
135.04449	3.0
136.01897	0.7
145.02869	1.1
146.03690	4.9
147.01245	0.7
147.04468	8.8
148.05190	2.5
149.04501	0.8
149.04785	1.1
149.06036	13.8
149.47704	0.6
150.03116	1.3
151.07576	0.9
159.04460	9.8
160.05052	1.0
161.02382	3.0
161.06059	6.1
162.03209	1.5
163.07582	2.6
172.05249	3.2
173.06036	16.9
174.03255	0.7
174.06857	6.5
175.03963	2.3
175.07603	12.5
176.04736	1.6
176.08022	0.9
186.06792	1.2
187.07622	9.4
188.04868	1.0
188.08368	3.0
189.05502	4.3
189.09212	1.9
190.06308	3.1
191.07085	4.1
199.07643	0.9
201.02808	0.7
201.09224	5.5
202.09964	0.7
203.10751	12.5
204.11000	0.9
213.09280	1.0
215.10715	1.2
266.05798	0.9
289.08127	0.7
291.06537	0.9
294.08945	1.0
295.09726	2.4
305.08276	1.2
306.08994	2.3
307.09879	1.1
323.09253	1.5
323.12933	2.4
335.13007	4.5
349.14392	1.4
365.17657	3.0
366.17792	0.8
393.17169	100.0
394.17529	13.1
411.18210	17.7
412.18536	2.2
453.30103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22407	0.4
59.01267	5.7
61.98717	100.0
70.59598	1.4
71.01273	1.7
75.00739	0.4
83.43615	0.4
85.02855	0.8
89.02344	1.2
98.20473	0.5
101.02355	1.3
113.02363	1.0
114.63529	0.4
121.21266	0.4
134.96729	0.4
156.34650	0.4
161.04524	0.6
165.12807	5.7
183.13869	15.9
184.14201	1.0
192.83949	0.4
197.15468	0.4
209.11763	0.6
227.12898	36.9
228.13268	2.8
256.08627	0.5
285.12451	2.0
389.18231	6.8
390.18735	1.0
408.19394	0.5
452.18588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	12.1
60.01600	1.9
61.01690	1.9
61.98719	100.0
62.98435	0.3
68.20327	0.2
71.01279	2.5
71.15717	0.6
72.01628	0.5
73.01685	0.2
73.02847	0.5
83.01298	0.4
85.02856	1.0
89.02361	1.2
90.02677	0.3
99.00794	0.3
101.02354	1.3
113.02382	0.7
119.03465	0.3
131.03491	0.4
137.02399	0.4
161.04504	0.6
162.04857	0.3
163.05011	0.3
205.05112	0.5
227.16650	0.3
229.17009	0.3
261.13516	0.3
390.22620	0.3
392.22925	1.0
393.17899	1.5
414.31369	0.2
452.18292	2.0
453.13187	0.5
453.18948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2793
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.19752	0.2
59.01250	0.4
62.96287	0.4
71.33677	0.4
78.95795	18.7
96.96867	0.2
122.00010	0.8
122.98451	0.3
132.04312	0.2
132.65073	0.1
140.01120	4.6
152.99516	1.8
161.14265	0.2
165.57715	0.2
166.80658	0.2
171.00621	0.3
185.70753	0.1
196.03772	9.4
197.04118	0.3
214.04884	2.0
237.22258	0.2
255.23331	100.0
256.23672	9.4
361.31668	0.2
452.27914	31.5
453.28241	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	451.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68029	0.4
57.03333	0.4
59.01264	100.0
59.35664	0.4
60.01611	1.6
61.98713	1.5
62.96318	0.5
69.31631	0.5
69.57739	0.5
69.74518	3.3
71.04926	0.6
73.25999	0.4
76.24090	0.4
76.35268	0.4
78.95824	1.5
81.03367	2.5
83.04915	10.8
83.05381	0.7
96.95893	0.7
193.66130	0.5
286.97617	0.5
307.23981	1.0
315.23322	0.8
317.33804	0.5
389.27606	1.4
391.29761	43.5
392.15228	0.6
392.29990	6.9
412.10645	0.5
418.36530	0.5
445.48654	0.5
451.16498	2.4
451.26810	2.5
452.18109	0.7
452.27277	0.9
458.71265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12871	0.7
54.57891	0.6
55.01780	0.8
58.00501	1.2
58.92324	0.6
59.01265	100.0
60.01594	1.0
61.98717	20.2
64.94534	0.5
69.83555	3.4
71.01269	12.6
72.99204	0.8
73.02852	3.9
75.66396	0.6
82.47275	0.6
83.01310	1.1
85.02843	5.4
87.00808	0.8
88.98737	1.6
89.02333	8.2
91.44995	0.6
95.01245	0.8
99.00799	1.7
101.02347	10.3
113.02335	5.6
119.03457	3.0
137.02383	0.8
159.02957	0.9
161.04472	5.8
173.48927	0.7
179.05627	1.4
229.18123	1.0
242.53362	0.7
289.20108	0.7
391.23456	33.8
392.23700	3.2
451.11795	1.1
451.25827	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03341	1.8
58.00480	1.4
59.01265	100.0
60.01593	2.5
61.01689	1.4
61.98718	96.0
62.98416	1.4
62.99139	0.6
63.99142	1.5
68.00222	0.4
69.03349	0.7
69.37982	4.7
71.01270	28.8
71.04903	0.6
72.01601	0.7
72.99191	2.5
73.02837	5.3
74.60970	0.4
75.00767	1.0
81.03350	1.6
83.01284	3.2
85.02840	9.6
87.00766	2.2
87.04427	0.6
88.98686	2.5
89.02336	23.1
90.02660	0.5
93.21222	0.4
95.01292	1.6
96.95906	0.8
97.02842	0.7
97.06494	0.5
98.20628	0.6
99.00776	1.8
99.04402	0.9
101.02348	20.8
101.03018	1.1
102.02687	0.7
103.03918	0.8
113.02354	11.4
114.02702	0.7
115.03919	1.0
115.07528	0.4
119.03416	9.3
123.04341	0.7
125.02379	1.4
131.03394	2.1
133.10182	1.2
135.02898	0.8
143.03409	2.0
149.04477	2.5
151.11191	0.8
159.02931	1.1
161.04500	6.5
162.04884	0.6
165.01840	0.8
167.03482	0.9
167.10681	0.5
179.05576	5.2
191.05516	0.6
209.15303	0.8
212.57556	0.4
229.14336	1.3
235.13400	0.6
253.14240	0.7
256.56165	0.5
271.15570	3.1
289.20248	5.5
294.04355	0.5
331.17480	0.8
349.18353	0.6
390.21893	0.6
391.23438	14.3
392.23376	1.1
409.16922	0.5
409.24240	0.7
433.20520	0.6
451.11142	0.9
451.20129	9.9
451.25650	8.6
452.25934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03341	1.8
58.00480	1.4
59.01265	100.0
60.01593	2.5
61.01689	1.4
61.98718	96.0
62.98416	1.4
62.99139	0.6
63.99142	1.5
68.00222	0.4
69.03349	0.7
69.37982	4.7
71.01270	28.8
71.04903	0.6
72.01601	0.7
72.99191	2.5
73.02837	5.3
74.60970	0.4
75.00767	1.0
81.03350	1.6
83.01284	3.2
85.02840	9.6
87.00766	2.2
87.04427	0.6
88.98686	2.5
89.02336	23.1
90.02660	0.5
93.21222	0.4
95.01292	1.6
96.95906	0.8
97.02842	0.7
97.06494	0.5
98.20628	0.6
99.00776	1.8
99.04402	0.9
101.02348	20.8
101.03018	1.1
102.02687	0.7
103.03918	0.8
113.02354	11.4
114.02702	0.7
115.03919	1.0
115.07528	0.4
119.03416	9.3
123.04341	0.7
125.02379	1.4
131.03394	2.1
133.10182	1.2
135.02898	0.8
143.03409	2.0
149.04477	2.5
151.11191	0.8
159.02931	1.1
161.04500	6.5
162.04884	0.6
165.01840	0.8
167.03482	0.9
167.10681	0.5
179.05576	5.2
191.05516	0.6
209.15303	0.8
212.57556	0.4
229.14336	1.3
235.13400	0.6
253.14240	0.7
256.56165	0.5
271.15570	3.1
289.20248	5.5
294.04355	0.5
331.17480	0.8
349.18353	0.6
390.21893	0.6
391.23438	14.3
392.23376	1.1
409.16922	0.5
409.24240	0.7
433.20520	0.6
451.11142	0.9
451.20129	9.9
451.25650	8.6
452.25934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03334	0.9
58.00490	0.5
59.01264	100.0
60.01607	1.9
61.98722	3.4
69.35627	2.8
69.36034	1.1
71.01272	13.9
72.99191	0.5
73.02842	5.6
75.00780	1.7
81.03332	0.6
83.01278	2.3
83.04486	0.4
83.04887	2.1
85.02845	7.1
86.02290	0.4
87.00777	0.6
89.02322	3.4
95.01297	1.4
97.02866	0.5
99.00806	1.8
101.02340	13.1
111.00795	0.5
111.92058	0.4
113.02351	7.3
114.02697	0.5
119.03417	1.0
122.38518	0.4
125.02345	0.6
135.04454	0.7
137.02440	0.6
143.03455	1.1
143.47417	0.4
151.00296	0.5
159.02994	2.3
161.04492	12.8
165.01901	0.5
179.05518	0.6
220.36626	0.5
227.12836	1.0
229.18153	1.4
267.66452	0.4
269.14120	0.6
270.14087	0.5
271.14749	0.9
287.15161	1.3
288.05844	0.5
288.15512	1.8
289.06384	0.9
289.15561	3.0
319.17993	1.2
331.17938	0.6
341.06750	0.8
349.18823	1.5
350.54883	0.4
352.08667	0.4
385.74286	0.5
391.23474	44.7
392.23764	4.3
451.20981	2.3
451.33334	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	451.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47199	1.0
57.03335	2.6
58.00476	2.5
59.01266	100.0
60.01612	4.5
61.01420	0.9
61.01698	4.1
61.98719	16.0
63.99129	1.9
68.70708	1.1
69.03341	1.7
71.01272	32.1
71.04899	1.0
71.61300	1.0
72.99197	3.2
73.02821	5.5
75.00768	1.7
78.95784	1.5
81.03351	2.2
83.01286	2.5
83.04889	1.5
85.02849	8.1
87.00776	2.8
89.02337	31.3
91.52161	1.0
95.01293	2.2
96.95918	12.7
96.96878	1.8
98.02347	1.3
99.00779	1.5
99.04438	2.3
101.02343	24.6
109.02851	2.6
110.33778	1.0
111.40900	0.9
113.02364	11.2
113.03065	1.0
114.02667	1.0
115.03913	2.0
117.35867	0.8
119.03428	15.2
125.02356	1.4
131.03413	2.8
143.03488	3.1
146.50636	1.0
147.11765	1.7
149.02397	1.3
149.04514	3.1
151.01930	0.9
153.01915	1.9
159.02919	1.0
161.04530	7.3
165.05547	1.6
165.12787	1.2
179.05537	6.5
187.13391	2.1
209.15530	3.6
219.06650	0.9
221.23277	0.9
235.13617	1.1
253.14641	2.3
271.15662	4.9
285.11322	1.0
305.16220	1.9
319.13953	1.2
331.17581	5.8
349.18588	8.0
356.74136	1.0
357.06516	1.0
391.19611	10.3
451.11823	1.8
451.22101	47.9
451.29147	4.0
452.22650	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	451.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47199	1.0
57.03335	2.6
58.00476	2.5
59.01266	100.0
60.01612	4.5
61.01420	0.9
61.01698	4.1
61.98719	16.0
63.99129	1.9
68.70708	1.1
69.03341	1.7
71.01272	32.1
71.04899	1.0
71.61300	1.0
72.99197	3.2
73.02821	5.5
75.00768	1.7
78.95784	1.5
81.03351	2.2
83.01286	2.5
83.04889	1.5
85.02849	8.1
87.00776	2.8
89.02337	31.3
91.52161	1.0
95.01293	2.2
96.95918	12.7
96.96878	1.8
98.02347	1.3
99.00779	1.5
99.04438	2.3
101.02343	24.6
109.02851	2.6
110.33778	1.0
111.40900	0.9
113.02364	11.2
113.03065	1.0
114.02667	1.0
115.03913	2.0
117.35867	0.8
119.03428	15.2
125.02356	1.4
131.03413	2.8
143.03488	3.1
146.50636	1.0
147.11765	1.7
149.02397	1.3
149.04514	3.1
151.01930	0.9
153.01915	1.9
159.02919	1.0
161.04530	7.3
165.05547	1.6
165.12787	1.2
179.05537	6.5
187.13391	2.1
209.15530	3.6
219.06650	0.9
221.23277	0.9
235.13617	1.1
253.14641	2.3
271.15662	4.9
285.11322	1.0
305.16220	1.9
319.13953	1.2
331.17581	5.8
349.18588	8.0
356.74136	1.0
357.06516	1.0
391.19611	10.3
451.11823	1.8
451.22101	47.9
451.29147	4.0
452.22650	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	451.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02274	0.3
55.01775	0.9
57.03340	2.7
58.00491	1.1
59.01266	77.9
60.01595	1.7
61.01698	0.6
61.98718	1.5
62.60101	0.3
67.01767	0.5
68.99704	0.8
69.03325	0.6
69.44410	3.4
71.01271	20.5
72.01617	0.5
72.43913	0.3
72.99199	5.5
73.02846	2.7
75.00765	17.8
80.79209	0.3
81.03347	0.6
83.01297	1.4
85.02844	23.0
86.03162	0.5
87.00771	7.3
89.01824	0.7
89.02341	7.9
95.01291	5.1
95.68262	0.4
99.00774	10.7
99.04400	2.2
101.02342	4.2
101.05986	47.0
102.02718	0.5
102.06334	1.3
103.00279	2.3
109.02869	0.5
111.00789	0.6
113.02359	25.2
114.02714	0.6
115.00297	1.7
117.01850	3.4
117.05493	14.4
118.05807	0.4
119.03401	1.5
125.02315	0.5
127.03976	0.5
129.01869	2.2
129.04626	0.3
131.03426	1.5
136.07549	0.5
139.00287	0.7
139.11276	0.5
143.03410	0.8
149.04506	0.9
151.00266	0.4
157.01402	0.7
159.02885	0.4
161.04509	2.1
174.45515	0.3
175.02452	3.2
193.03523	2.4
205.07156	1.5
223.08197	0.6
231.05215	0.8
247.08217	0.7
249.06197	5.8
257.13000	1.0
267.07303	0.4
289.06805	0.6
291.07220	0.4
309.04907	0.4
309.08368	1.2
333.11987	3.8
349.11371	1.1
351.13004	7.5
352.13202	0.6
367.12488	2.6
374.69214	0.5
375.13028	0.5
391.23447	9.3
392.23782	1.1
393.14124	12.8
394.14587	0.9
407.19089	0.4
408.20007	0.4
409.19824	2.8
433.17172	6.9
434.17343	0.8
451.18271	100.0
452.18613	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	451.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86969	0.8
55.01766	1.6
57.03341	3.1
58.00474	0.9
59.01266	51.1
61.98709	3.7
67.01783	0.8
68.99708	1.0
70.45195	1.3
71.01271	20.6
72.99200	5.3
73.02844	4.7
75.00767	22.1
79.96227	0.7
82.73266	0.6
83.01290	1.5
85.02844	22.9
86.03174	0.7
87.00772	9.0
89.02341	6.1
95.01298	5.9
96.01685	0.6
98.20487	0.9
99.00787	13.3
99.04422	1.5
100.01070	0.7
101.02345	3.2
101.05986	100.0
102.06318	2.2
103.00281	3.3
111.00789	1.2
113.02355	29.1
115.00263	2.6
117.01823	4.4
117.05493	8.2
129.01852	2.3
131.03439	0.9
135.04446	0.7
144.75327	0.6
157.01328	1.2
161.04509	1.0
175.02455	3.3
193.03517	2.7
205.07150	1.1
223.64627	0.7
231.05057	1.0
235.08157	0.9
249.06161	7.4
250.06462	0.8
289.10818	1.0
309.08328	0.7
333.11844	3.4
351.13025	21.6
352.13443	1.2
391.23471	1.6
393.14124	21.0
394.14551	2.5
433.17120	8.9
434.17804	1.3
451.18292	98.7
452.18643	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	449.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.1
71.01286	0.2
71.17814	0.3
78.95795	4.1
96.95913	0.2
110.97671	0.2
110.98434	3.5
152.99522	0.2
161.04517	0.2
167.01089	1.7
182.93065	0.2
185.02179	3.5
281.24911	100.0
282.25256	9.3
296.59601	0.2
389.21591	0.2
449.26804	10.2
450.27213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71537	0.1
55.01748	0.2
56.86620	0.1
57.03351	0.2
59.01265	14.2
60.01595	1.2
61.01688	0.8
61.98716	100.0
62.02018	0.2
62.98427	0.2
63.22855	0.1
69.53480	1.0
69.98138	0.1
71.01269	2.9
71.65331	0.1
72.01609	0.2
72.99222	0.1
73.02834	0.7
75.00775	0.2
82.10703	0.1
83.01290	0.3
85.02832	0.9
88.98737	0.2
89.02327	1.7
95.01314	0.2
99.00806	0.2
101.02354	1.8
102.02711	0.3
105.31010	0.1
113.02346	1.1
114.02782	0.1
119.03440	0.6
125.02389	0.5
131.03436	0.1
134.62187	0.1
143.03455	0.3
149.04533	0.2
153.09178	0.3
154.09502	0.2
155.09665	0.2
156.10117	0.1
159.02934	0.1
161.04501	1.2
162.04851	0.3
163.04958	0.3
179.05624	0.4
225.14940	0.6
226.15256	1.0
227.15617	0.5
228.15935	0.4
255.59685	0.1
258.43393	0.1
259.06259	0.2
269.04791	0.2
270.04855	0.7
288.05893	0.2
289.20392	0.2
329.05676	0.2
330.06201	0.5
388.20798	0.3
389.21176	0.4
390.21973	2.4
391.23495	2.4
406.28284	0.1
450.11060	1.0
450.20676	0.2
451.26035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02414	0.2
59.01262	6.1
60.01579	0.9
61.01695	0.5
61.98716	100.0
62.98416	0.3
69.25668	1.2
69.26093	0.6
71.01260	1.5
72.01595	0.2
72.99193	0.2
73.02847	0.3
85.02846	0.3
89.02352	0.9
91.48562	0.2
95.01306	0.2
98.19850	0.3
99.00790	0.2
101.02349	1.0
102.02710	0.3
103.02815	0.2
113.02348	0.4
119.03407	0.4
153.83331	0.2
154.09514	0.4
161.04524	0.7
162.04886	0.4
163.05013	0.2
179.05589	0.2
187.09138	0.2
210.62129	0.2
225.15018	0.4
226.15378	0.7
227.15669	0.2
270.14478	0.4
388.20639	0.3
389.21933	0.3
390.22049	1.8
426.43289	0.2
429.96893	0.2
450.11331	0.2
450.20297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1044
Annotation	cinchonain Id
Peak:m/z	Relative Intensity
55.01759	1.5
57.03325	4.9
59.01264	100.0
60.01591	2.0
61.98716	37.9
65.03839	1.2
67.01759	1.4
69.03338	1.9
69.96830	5.2
71.01268	24.5
71.04891	1.5
72.99204	2.3
73.02827	5.0
75.00760	6.8
77.03855	1.1
79.01780	1.2
79.40448	1.1
81.03352	7.2
83.01286	9.7
85.02840	11.4
86.04808	1.0
87.00777	2.6
87.04401	1.2
89.02326	12.6
90.58264	1.1
93.03364	4.1
95.01273	3.3
95.04914	4.0
97.02858	7.1
99.00786	3.4
99.04413	5.9
101.02349	17.5
108.02073	1.6
109.02851	8.5
111.00764	2.0
113.02360	10.1
119.03429	5.6
119.04918	1.6
121.02863	6.6
123.04419	3.9
125.02366	21.1
134.03677	1.1
134.68202	1.3
137.02374	55.1
138.03210	8.8
139.03958	4.6
147.04463	1.9
149.02380	2.7
149.06004	1.3
151.03917	3.7
155.10712	1.4
159.04433	3.0
161.04456	5.4
161.05788	1.8
163.00291	2.7
163.03966	1.7
163.87846	1.1
165.01881	61.8
166.02567	4.6
167.03442	27.2
172.05136	1.6
173.06015	1.6
175.03961	2.5
175.07570	1.7
177.01918	1.4
177.05466	2.0
179.03397	2.2
179.05591	1.7
183.08121	1.6
185.06145	1.8
185.11760	1.3
186.03262	1.4
186.12158	1.9
187.03957	3.2
188.04704	4.4
189.01941	1.8
189.05507	7.3
190.02707	1.2
197.06056	1.3
198.06892	2.0
199.03951	1.9
199.07622	3.6
200.04686	1.4
201.05614	5.5
202.02670	2.4
202.06009	1.3
203.03473	4.1
203.07127	2.1
205.05077	8.8
209.06096	1.8
211.07631	8.4
212.04781	1.4
213.05499	5.6
213.09187	2.7
214.06297	3.7
215.03502	2.1
215.07085	5.2
216.04218	2.5
217.05052	11.3
219.06599	3.1
223.07735	1.7
224.04857	2.2
225.05579	2.5
226.06139	2.3
227.03465	1.8
227.07144	14.7
228.07936	5.4
229.05157	1.5
229.08696	36.2
230.09039	3.4
231.03069	11.7
231.06635	15.7
232.06998	1.7
233.04413	2.4
239.07178	9.0
240.04317	1.2
240.07846	1.6
241.05072	1.9
241.08714	9.2
242.02246	2.8
242.05829	2.4
243.06723	3.8
245.04578	3.3
246.05171	2.3
251.07176	3.1
252.04251	1.7
255.06647	16.3
256.07361	2.1
257.08215	48.8
258.08560	3.1
260.06924	3.6
263.07291	1.9
265.05157	1.7
266.05960	1.4
267.06668	12.8
268.07220	1.8
269.04657	1.9
269.08127	6.9
270.05377	1.7
271.06015	1.9
279.06918	1.9
281.08148	4.1
283.06210	12.5
284.07013	1.5
285.07755	19.8
286.08130	1.4
289.08771	1.5
294.09058	1.2
295.06149	4.3
295.09494	1.8
297.07739	4.2
297.11038	1.9
303.10220	1.3
307.06186	1.7
309.11456	1.4
311.05615	1.4
313.07172	9.2
317.08185	1.8
319.09766	3.6
321.11206	2.0
323.09433	1.6
325.07471	2.0
333.07700	1.4
335.09271	1.6
337.10861	1.5
347.09277	2.1
361.10788	2.0
363.08917	4.8
371.09521	2.4
377.10291	2.3
379.11890	2.3
389.10568	5.2
391.23459	70.8
392.23889	5.5
395.11456	2.7
405.09839	4.9
407.11621	9.8
408.11722	1.8
423.10849	9.8
433.09344	18.1
434.09662	1.4
451.10455	97.9
451.16806	6.4
452.10785	13.7
452.17581	1.6
452.63345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.7
57.03339	3.4
58.00476	1.6
59.01265	35.5
59.21811	0.2
61.98717	1.2
68.99709	0.3
69.03339	1.0
70.95607	0.2
71.01268	44.6
71.59552	0.3
72.01602	0.6
72.78302	0.2
72.99194	2.3
73.02834	15.5
75.00754	1.2
83.01273	10.0
84.01630	0.3
85.02840	23.7
85.99998	1.6
86.03201	0.5
87.00764	2.4
89.02333	7.8
95.01289	2.8
95.07665	0.2
96.95872	0.3
97.02853	1.5
97.06586	0.2
97.88383	0.2
99.00780	7.8
101.02343	43.1
102.02699	0.9
103.03864	0.3
108.20412	0.3
110.97398	0.3
111.00806	1.3
113.02357	18.3
115.12299	0.3
119.03399	0.9
121.02917	0.4
125.02345	1.8
129.01865	1.2
131.02580	0.2
131.03392	1.4
138.31549	0.3
139.03925	0.3
143.03423	2.6
149.02431	0.4
149.04482	1.0
159.02933	3.4
161.04498	20.2
161.29910	0.3
162.04889	0.6
179.05482	0.4
205.03560	1.7
214.02748	0.5
225.14911	0.4
229.01408	0.3
233.06616	0.5
242.02162	0.4
243.02995	0.3
255.06316	0.3
255.23375	0.3
258.01736	0.4
271.02606	0.4
275.80521	0.3
283.06207	0.8
290.13739	0.2
299.05557	0.6
317.19745	100.0
318.20074	9.4
361.18826	2.3
362.18976	0.3
389.21457	0.4
389.25790	0.5
407.26019	0.3
408.04404	0.5
449.08286	2.8
449.24002	12.8
450.09363	0.3
450.24231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03349	0.7
59.01265	100.0
60.01612	1.2
61.98716	2.7
67.91576	0.4
69.42490	3.5
71.01273	13.4
72.99203	0.8
73.02837	3.8
75.00771	0.6
77.56115	0.4
79.24820	0.3
80.55849	0.3
83.01272	2.1
85.02840	6.3
85.03307	0.6
87.00797	1.3
89.01797	0.2
89.02338	7.3
95.01260	0.8
96.54208	0.5
97.02861	0.5
98.59179	0.3
99.00790	1.9
99.04430	0.5
101.02351	13.4
102.02671	0.4
109.02869	0.4
111.00831	0.5
113.02354	6.9
113.03085	0.6
119.03400	3.8
121.02897	0.9
125.02368	0.3
129.01918	0.4
131.03433	0.6
143.03474	1.5
149.04483	0.3
159.02908	2.3
161.04495	13.8
162.04910	0.5
166.22755	0.3
179.05536	2.0
195.61897	0.4
207.17072	0.4
209.11989	0.6
269.04794	1.3
269.14035	3.2
287.15100	1.2
322.41046	0.4
339.07159	0.5
389.21909	43.9
390.22287	4.6
449.10895	1.4
449.20544	1.5
449.31683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04997	0.2
52.44720	0.2
55.01756	0.3
57.03338	0.5
58.00449	0.3
59.01266	100.0
60.01598	1.3
61.53747	0.2
61.98720	6.8
62.84452	0.2
64.88494	0.2
69.03355	0.3
71.01270	8.8
71.04922	0.6
71.13680	0.2
71.14005	0.4
72.01627	0.2
72.99211	0.2
73.02840	2.2
75.00747	0.2
81.03352	0.3
83.01292	0.7
85.02847	3.6
87.00779	0.7
89.02340	3.5
93.85841	0.2
95.01295	0.5
97.02859	0.3
99.00771	1.0
99.04456	0.5
100.86398	0.2
101.02345	5.7
109.02874	0.4
111.00734	0.2
113.02358	4.1
117.03441	0.2
119.03420	1.3
123.04469	0.3
125.02392	0.8
131.03502	0.3
137.09586	0.2
139.07582	0.4
143.03459	0.5
151.03944	0.3
153.09238	0.2
155.10715	3.2
155.11868	0.3
159.02922	1.1
161.04507	9.6
167.03441	2.2
179.05542	1.0
197.04564	0.5
205.03505	0.2
227.13077	0.3
227.16533	6.9
228.16898	0.5
269.04807	0.2
269.08127	0.3
287.05615	0.5
294.24927	0.2
299.05124	0.2
301.06198	0.2
329.06229	1.0
359.06699	0.4
389.21936	13.3
390.22253	1.3
424.42642	0.2
433.21127	1.0
449.10678	1.8
449.24344	1.8
458.64331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23834	0.3
59.01268	100.0
60.01601	1.7
61.98721	1.5
63.49483	0.3
69.03346	0.4
69.58479	1.2
69.58917	1.3
71.01278	4.8
72.99217	0.7
73.02836	1.5
75.00771	1.0
83.01302	0.8
85.02858	2.5
87.00781	0.9
89.02337	2.8
89.02775	0.3
95.01286	0.6
95.72314	0.3
96.95927	0.8
97.02847	0.4
99.00805	1.0
99.04446	0.3
101.02354	3.7
101.91161	0.3
107.05043	0.4
113.02357	2.7
119.03409	0.6
125.02376	0.6
135.04422	0.4
143.03419	0.3
151.00275	0.6
159.03026	0.4
161.04488	3.3
174.00406	0.3
179.05624	0.4
193.01357	0.4
222.43619	0.3
249.06258	0.5
257.04706	0.7
259.06223	1.6
267.07413	1.3
269.04654	0.5
269.14056	0.5
287.02158	1.8
287.05777	1.4
300.70352	0.4
389.21918	6.1
390.22443	0.8
449.11194	0.8
449.16934	2.0
449.21658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50588	0.4
55.01749	0.6
55.83889	0.5
57.03338	3.3
58.00497	1.6
58.71576	0.4
59.01263	100.0
59.98466	0.4
60.01608	1.3
61.98716	0.9
62.13623	0.5
65.58981	0.4
69.32293	3.7
69.32720	1.6
71.01266	20.1
72.99208	1.8
73.02802	0.5
83.01278	0.9
83.04925	1.0
85.02830	4.6
85.72802	0.5
87.00793	1.1
89.02337	18.1
94.77766	0.5
95.01302	1.8
95.04945	0.6
95.71607	0.5
98.20569	1.2
99.04416	12.6
101.02345	8.1
102.02728	0.7
107.04993	0.5
109.06525	0.8
113.02359	5.2
119.03411	5.2
125.02386	0.6
151.00330	0.7
155.10704	0.6
165.12822	7.2
179.05617	0.8
189.12839	1.5
200.78281	0.6
207.13884	13.3
208.14276	1.2
209.11819	38.6
210.12125	2.6
225.14973	8.9
226.15329	0.5
240.93327	0.5
251.12868	6.5
269.13989	82.4
270.14334	7.2
287.15033	1.3
449.20377	57.1
450.20767	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	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03332	1.1
57.87290	0.2
58.00486	0.6
59.01265	100.0
60.01606	1.3
61.01702	0.4
61.98717	13.7
63.02297	0.4
64.89366	0.2
65.00224	1.0
69.03323	0.3
69.78666	0.8
69.79102	0.6
71.01272	14.0
72.01607	0.2
72.99193	0.6
73.02840	1.9
75.00778	0.4
83.01285	1.8
85.02840	3.9
87.00774	1.1
89.02339	15.9
90.02700	0.2
95.01299	1.0
97.02853	0.3
99.00798	0.9
99.04448	0.6
101.02347	10.2
107.01291	1.5
109.02856	0.3
109.06511	0.3
111.00803	0.3
111.08063	0.2
113.02367	6.8
117.03397	0.4
119.03413	8.5
123.04504	0.3
124.01611	0.4
125.02362	2.6
128.37860	0.2
131.03433	0.9
133.02841	0.2
134.03738	0.3
135.04478	0.4
143.03404	1.9
149.02414	0.3
149.04509	0.7
151.00317	3.4
152.01086	2.0
159.02966	0.7
159.04405	0.3
161.02467	0.3
161.04503	7.2
165.01950	0.4
169.01347	0.4
178.99847	1.4
179.05576	5.9
190.63885	0.2
197.06165	0.3
198.68103	0.2
201.05621	0.4
205.03445	0.3
207.13850	0.3
209.11887	0.8
209.15428	0.5
225.05637	0.8
227.12968	0.5
227.16536	1.4
230.56146	0.2
241.05196	0.3
243.06758	0.4
247.32800	0.2
259.06232	1.3
269.04614	22.2
269.13974	2.6
270.04990	2.1
270.14490	0.3
271.02679	0.5
287.05658	1.6
287.18845	0.2
316.02356	0.7
328.05734	0.3
329.05972	0.9
383.62686	0.2
389.21878	21.3
390.22192	2.0
433.20871	0.6
449.11084	7.1
449.19537	2.5
450.11523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03342	0.7
58.00493	2.0
59.01266	100.0
60.01603	1.7
61.98720	1.0
65.00214	0.9
69.03336	0.8
69.41093	1.2
69.41499	0.8
71.01272	28.8
72.01620	0.4
72.99200	2.8
73.02840	13.2
75.00786	0.7
81.03347	0.5
83.01284	4.5
83.01730	0.4
85.02848	8.5
86.00007	0.9
87.00777	5.0
87.04403	1.5
89.02339	30.5
89.67979	0.2
90.02695	0.5
93.03377	0.3
95.01303	1.5
97.02869	0.6
98.20634	0.5
99.00791	1.3
99.04441	0.7
101.02349	25.5
101.06003	0.3
102.02670	0.3
103.03909	4.5
107.01297	2.2
109.02858	1.2
111.00842	0.5
111.04433	0.3
113.02359	13.9
115.03918	2.1
119.03420	12.3
119.04948	1.0
123.04461	0.3
124.01579	0.2
125.02354	2.5
127.03957	0.7
129.01857	0.4
131.03427	6.6
133.04907	0.3
135.04445	8.7
135.05457	0.5
136.04793	0.3
139.00287	0.6
143.03442	9.1
145.05049	1.2
149.04488	1.9
150.03215	0.3
151.00311	11.4
152.00645	0.5
153.01906	0.6
155.03455	0.6
161.04495	5.9
163.06081	9.3
165.05554	0.5
166.99834	1.1
169.01375	0.4
175.00261	0.3
177.01936	0.4
179.05576	6.0
181.01271	0.3
185.11830	0.3
185.61688	0.3
203.05637	0.6
205.07161	9.6
206.07600	0.3
221.06728	0.8
227.16504	0.2
243.12485	0.5
247.08221	3.0
261.13483	1.9
265.09305	0.3
269.04489	0.3
269.14020	0.5
285.04141	0.3
286.04544	0.4
287.05722	13.4
287.09174	1.4
288.06134	1.4
303.14554	0.3
359.20847	2.5
389.17712	0.3
389.21964	0.7
407.19318	42.0
408.19638	4.8
449.11188	2.1
449.20386	7.2
449.26154	0.5
450.20828	0.8
455.76566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.7
55.22694	0.5
55.69911	0.5
57.03336	1.8
59.01267	80.3
60.01646	0.9
61.98718	5.5
65.00217	5.0
71.01273	14.1
71.63335	1.0
72.99210	1.5
73.02843	3.3
75.00785	1.8
78.10747	0.5
83.01280	3.1
85.02855	6.2
87.00785	2.2
89.02344	9.2
93.03380	1.2
95.01286	1.4
96.00822	2.0
96.08084	1.2
96.95976	0.8
97.01600	7.2
98.02419	1.0
98.06034	1.9
99.00798	1.1
99.04428	0.7
100.03954	1.0
101.02348	8.9
101.75166	0.6
106.06509	0.7
107.01295	7.2
108.04465	1.6
109.01623	1.3
109.02876	0.9
109.05256	1.6
110.06036	1.7
113.02376	8.7
114.02769	0.9
119.03438	4.9
120.08124	4.1
124.07609	44.4
125.02374	3.1
125.07948	1.6
126.05553	1.2
131.03436	1.0
133.02829	0.8
135.04454	32.0
136.04799	1.0
137.02367	1.6
138.05540	1.6
139.00333	1.6
143.03476	1.0
149.04495	0.9
151.00316	41.5
152.00710	1.7
153.01865	0.6
159.02881	0.6
160.07549	0.6
161.02449	0.9
161.04506	6.8
162.05621	1.0
165.01865	0.6
166.02696	1.0
169.01395	1.4
173.79901	0.5
176.03290	0.5
176.73460	0.5
178.05112	1.0
178.08810	0.5
179.05559	3.3
181.05194	0.5
185.11662	0.6
192.06664	1.1
199.13326	1.5
227.16623	1.2
243.06702	0.8
243.15041	9.6
244.15466	1.3
249.06285	1.3
267.07031	0.8
269.09427	0.6
269.13980	1.9
269.17584	0.8
271.02530	0.8
283.10660	0.6
285.03915	0.9
285.07623	0.6
286.04718	0.8
287.05710	32.3
287.14090	100.0
288.05969	3.0
288.14404	9.1
298.12222	0.9
301.15619	5.4
302.03259	0.7
302.15811	0.7
315.21832	1.8
329.15134	9.1
330.15460	0.7
341.49002	0.6
389.16965	0.9
389.21875	12.9
390.21970	1.3
407.22906	0.9
449.10812	15.3
449.19324	7.4
449.28101	1.2
450.11185	1.8
450.20251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.173
Annotation	Bis(3-azidopyridinium)-1,10-decane perchlorate
Peak:m/z	Relative Intensity
55.01780	0.5
57.03339	0.3
58.00468	0.3
59.01265	32.6
60.01587	0.5
61.98726	1.5
70.51624	0.5
70.52017	0.6
71.00900	0.5
71.01270	7.0
72.01573	0.3
72.99203	0.4
73.02832	0.8
75.00775	0.5
83.01270	0.9
85.02851	1.7
87.00790	0.6
89.02335	4.8
90.02623	0.3
93.03378	0.4
95.01318	0.5
99.00801	0.4
101.02345	5.6
101.05975	0.4
107.04926	0.6
109.02863	5.0
113.02353	3.0
119.03436	1.5
122.06062	0.4
125.02385	0.6
131.03442	0.5
132.04536	0.5
134.03680	2.2
134.06058	0.3
135.04449	100.0
136.04785	4.4
143.03424	0.7
146.06044	1.0
149.04448	0.4
150.05513	0.8
161.04491	2.9
165.04271	0.4
179.05585	0.8
183.13875	11.6
184.14221	0.7
191.53032	0.3
195.13879	10.0
196.14287	0.6
211.13396	0.4
213.14954	93.7
214.15311	6.2
226.12364	4.0
227.11920	0.7
227.16597	0.4
235.08383	0.4
239.08391	0.6
240.09009	0.7
241.09903	0.5
243.15718	0.3
253.09326	19.5
254.09966	1.2
257.13019	1.2
269.12991	15.4
270.13251	1.3
280.09821	0.8
281.10632	0.4
286.88873	0.3
287.22339	0.5
295.10892	0.7
295.14600	0.9
301.12109	0.6
313.12048	4.0
315.21786	3.8
316.18518	0.3
316.22076	0.5
327.65320	0.3
383.15268	0.4
389.21783	1.1
405.18369	1.3
407.26828	0.3
431.16281	1.2
449.17276	54.9
449.27631	1.7
450.17575	8.4
450.23727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1509
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.19761	0.4
59.01265	12.0
61.98715	0.6
62.96296	23.9
69.97856	0.4
71.01263	1.4
72.37191	0.4
72.47418	0.3
74.61472	0.4
77.37209	0.4
78.95793	55.2
80.97362	31.5
85.02802	0.8
89.02341	0.5
96.95908	0.7
118.50515	0.3
128.55724	0.4
138.89767	0.4
149.00034	13.4
151.01724	0.4
160.26276	0.4
161.04585	0.6
179.01128	1.3
181.02734	0.6
205.15962	6.4
242.98276	4.3
285.12634	1.7
355.16873	18.0
356.17120	1.8
385.17914	22.4
386.18250	1.8
389.21741	1.4
449.15091	100.0
450.09052	0.6
450.15457	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	449.1253
Annotation	Methylinoscavin B
Peak:m/z	Relative Intensity
54.33442	0.5
55.78913	0.4
58.63621	0.4
59.01271	2.9
70.12730	1.7
72.42564	0.4
76.09896	0.4
78.95812	1.2
95.87007	0.4
140.91846	0.4
149.05986	0.5
159.04552	0.5
174.61153	0.5
175.03969	0.4
185.06149	0.6
187.04045	0.5
188.04749	0.4
189.05571	3.4
190.06313	1.2
199.04021	0.6
201.05536	1.3
203.03477	1.3
204.04144	0.6
211.04053	0.5
212.04796	1.3
212.89828	0.4
213.05600	1.7
214.06221	1.9
217.01707	0.6
217.05067	13.7
218.05455	0.5
229.05122	1.3
232.03833	1.3
241.05196	0.6
245.04742	0.5
250.06438	0.9
263.07101	0.5
273.07751	54.4
274.08151	4.2
275.07318	0.7
277.05130	1.2
289.05200	1.0
289.08487	0.5
291.06705	1.3
291.10422	2.6
292.07504	0.5
293.04718	0.9
296.06845	0.5
299.07156	0.5
300.07852	0.4
301.05151	1.0
301.08514	0.5
302.06064	0.6
303.06625	1.4
304.07452	1.1
305.04703	2.7
307.05957	0.4
308.07208	0.6
309.07547	0.4
311.07339	0.7
315.03162	2.1
315.06412	0.6
315.10336	0.6
316.03787	0.6
316.07312	0.4
317.04822	2.5
317.08011	0.7
319.02936	0.7
319.06250	2.6
319.09769	19.1
320.06815	0.9
320.10333	2.1
321.04053	0.9
325.08688	1.4
327.06799	0.7
328.07422	1.1
329.04614	1.9
329.08173	0.8
330.05435	2.6
331.06128	1.7
332.03635	1.0
332.06995	1.1
333.04041	3.7
334.04688	0.5
335.09497	0.5
336.10046	1.3
337.10895	44.1
338.11234	4.3
339.06479	0.7
341.08167	0.8
343.06039	0.8
343.09821	2.0
344.06799	0.5
344.10526	1.3
345.11429	0.6
346.04709	0.7
346.08533	0.7
347.05621	3.9
348.06448	28.6
349.07031	4.2
353.08514	2.0
354.05295	0.5
354.09103	0.9
355.06146	1.1
355.10010	0.7
356.06998	0.9
357.03702	0.9
357.07764	6.9
358.08417	0.7
359.09338	0.5
361.03705	0.8
361.10965	0.7
369.07855	1.2
370.08646	1.7
371.09259	7.5
372.09924	2.2
373.10950	4.5
375.09042	0.8
376.05930	1.1
383.05545	0.6
389.10406	19.5
390.10867	2.5
398.34479	0.5
399.08832	6.3
400.09579	0.6
417.09970	4.2
421.13116	1.5
431.11328	1.0
449.12537	100.0
450.12854	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	449.1097
Annotation	Marein
Peak:m/z	Relative Intensity
54.77528	0.5
57.01990	0.5
57.03338	4.0
59.01263	37.7
61.98716	8.9
63.02281	0.9
65.00201	3.3
68.99701	0.5
69.03374	0.4
70.92763	1.1
71.01268	8.7
72.99199	2.9
73.02827	1.8
75.00753	1.3
75.12858	0.5
78.62070	0.4
81.03345	3.1
83.01274	6.4
85.02850	4.2
87.00763	1.6
87.04417	0.6
89.02337	5.3
93.03351	4.9
95.01308	1.0
95.05000	0.5
96.68000	0.5
96.95915	0.6
97.02843	1.1
99.00769	1.2
99.04403	0.8
101.02351	5.5
107.01293	3.8
107.04922	0.7
108.02068	0.6
109.02859	2.5
111.00774	1.3
113.02345	3.4
119.03426	1.6
119.04915	0.9
121.02868	1.7
122.03656	0.6
122.90832	0.5
123.00806	1.2
123.04421	2.0
124.01577	2.1
125.02361	42.8
126.02718	1.1
129.01862	1.1
133.02873	2.7
135.04446	0.9
137.02385	1.2
139.00153	0.5
139.03941	2.2
143.03406	0.6
145.02861	0.9
145.06433	0.6
148.01671	0.6
148.58110	0.6
149.02336	3.1
150.03108	1.1
151.00305	15.9
151.03836	0.5
152.01143	4.1
153.01868	6.8
154.01408	3.7
155.01732	1.8
157.06487	1.0
158.03644	1.0
159.04414	0.8
159.06421	0.5
161.04524	1.4
163.11223	1.6
165.01904	2.2
165.05447	0.8
167.03406	1.8
169.01389	1.8
172.05223	3.5
173.06026	8.1
174.06395	0.7
175.00313	1.9
175.03909	2.3
177.02043	0.5
177.05504	4.0
178.99820	16.8
179.01318	1.1
179.05591	1.4
181.01363	3.0
187.07549	1.0
195.02934	0.8
195.06638	0.8
197.06052	0.6
199.07625	2.0
200.04782	1.2
201.05493	4.0
209.11850	0.6
213.05415	0.6
214.06140	0.6
215.05048	0.8
215.07127	12.2
216.07483	1.2
219.06604	0.7
225.79575	0.5
227.12964	0.7
241.05055	1.7
243.06639	7.2
249.06123	0.6
255.06639	1.3
259.06161	100.0
260.06476	8.6
269.04556	2.4
269.14032	1.4
271.06216	0.7
272.07050	1.0
273.07745	2.0
275.65195	0.6
283.06161	15.9
284.06573	1.7
287.05685	50.7
287.09006	2.1
288.06024	4.6
301.07236	6.9
302.07559	0.6
311.05640	1.5
313.07343	2.5
329.06723	0.9
341.05475	0.5
387.16632	2.0
389.22079	1.4
403.10132	0.7
421.11536	14.5
422.11850	1.6
449.10751	7.6
449.20508	2.9
450.10916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1097
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03331	0.3
59.01261	19.6
59.87907	0.3
61.98713	0.7
63.02277	1.5
65.00206	8.9
69.62464	0.3
71.01270	3.3
71.54874	0.4
72.99183	0.3
73.02821	0.5
75.00752	0.5
80.23319	0.2
83.01266	4.4
83.01724	0.4
85.02850	1.2
87.00794	0.3
89.02347	2.8
95.01258	0.4
99.00746	0.3
101.02336	1.5
106.43990	0.3
107.01292	17.2
108.01560	0.3
109.02859	1.8
113.02367	1.5
116.04917	0.4
119.03411	1.4
121.02840	0.3
123.04422	0.8
125.02360	4.9
134.03664	1.0
135.04437	64.2
136.04773	2.1
137.02374	0.6
143.03433	0.5
149.02382	0.4
151.00302	100.0
152.00644	3.7
153.09206	0.4
160.03973	5.0
160.05176	0.6
161.02393	0.9
161.04486	0.8
165.01843	0.5
165.05504	2.3
169.01367	1.5
177.02005	0.4
177.05476	0.8
179.05515	1.5
193.05067	2.6
204.03180	0.4
205.05168	0.6
208.17903	0.3
227.03311	0.3
267.38550	0.4
269.04654	1.0
269.13907	0.3
285.04147	0.5
286.04248	0.6
287.05667	82.4
288.06024	6.8
302.03445	0.4
329.10358	3.8
330.10699	0.5
359.11475	1.0
359.20819	2.9
389.21756	2.5
407.18903	0.4
449.10916	17.0
449.20462	0.4
450.10721	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	449.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48878	0.3
56.44838	0.3
57.03336	0.5
59.01268	4.6
61.98712	0.3
63.02286	1.2
65.00206	7.4
66.57703	0.3
69.42405	0.6
69.42807	2.4
71.01260	1.6
72.92213	0.3
73.02825	0.4
73.88661	0.3
76.64471	0.3
79.73105	0.3
80.04937	0.3
83.01272	3.7
85.02869	0.5
89.02318	0.9
90.09201	0.2
95.01302	0.5
95.03687	0.5
96.00816	0.8
96.08076	1.2
97.01588	3.5
98.02341	0.5
98.06016	0.7
100.78937	0.3
101.02339	0.7
106.06532	0.5
107.01294	15.7
108.02124	0.6
108.04481	0.5
109.01614	0.4
109.02889	1.4
109.05237	1.0
110.06022	0.6
113.02344	1.9
118.06518	0.3
120.08081	2.5
123.06838	0.6
124.07601	32.4
125.02364	3.5
125.07948	0.8
126.05482	0.7
131.02180	0.3
131.03343	0.3
134.03667	0.7
134.06084	0.4
134.09665	0.3
135.04445	65.7
136.01582	0.3
136.04774	2.1
136.07565	0.3
137.02351	0.4
137.04810	0.4
138.05531	1.0
148.07607	0.3
151.00307	100.0
152.00626	3.6
159.04448	0.4
160.07561	0.6
161.02386	1.2
161.04488	0.4
162.05563	0.8
163.06354	0.5
164.01068	0.9
165.01801	0.7
169.01395	1.7
174.03091	0.4
175.52927	0.3
177.01881	0.8
178.05028	1.0
178.08615	0.7
192.06660	0.7
196.00130	0.3
215.07118	0.4
222.46477	0.3
243.06622	0.7
243.15036	6.2
243.17288	0.5
244.15337	0.5
269.04532	0.8
271.02371	0.7
272.02786	0.3
273.03064	0.8
285.04065	0.5
287.05679	61.0
287.14069	55.8
288.06055	5.0
288.14423	4.2
297.09827	1.2
300.02783	0.5
301.03192	0.7
301.15637	3.4
302.03403	1.2
303.04019	0.5
329.15186	4.6
347.95651	0.3
449.10904	25.8
450.11295	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	448.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64266	0.3
59.01265	38.8
60.01602	1.0
61.01694	0.8
61.98718	100.0
69.47707	0.3
70.78094	0.3
70.78449	0.9
71.01276	2.7
72.01628	0.3
73.02819	0.5
80.86324	0.3
83.01286	0.5
83.36859	0.3
85.02877	0.8
89.02343	1.7
90.02699	0.4
91.02781	0.4
97.02852	0.3
101.02361	2.0
113.02371	1.1
119.03443	0.5
125.02396	2.6
151.00333	0.5
161.04543	1.7
173.05663	0.3
179.05576	0.4
259.06165	2.3
269.04623	1.8
287.05725	2.0
367.79800	0.3
389.21970	3.2
449.10892	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	448.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.1
55.89275	0.1
57.03344	0.3
58.00455	0.2
59.01264	15.1
60.01601	1.0
61.01689	0.5
61.98716	100.0
62.98411	0.2
63.02277	0.7
65.00200	0.9
71.01271	2.9
71.37166	0.2
72.01612	0.2
72.61357	0.1
72.99218	0.3
73.02825	0.5
75.00755	0.2
79.01771	0.1
81.03355	0.2
81.73130	0.1
83.01285	0.8
85.02849	0.9
87.00781	0.3
89.02336	2.9
90.02663	0.1
91.02765	0.1
93.03354	0.2
95.01290	0.5
97.02844	0.2
98.20631	0.1
99.00759	0.3
99.04424	0.2
101.02347	2.2
105.03357	0.2
107.01299	1.4
109.02877	0.5
110.03204	0.2
113.02355	1.3
117.03357	0.6
119.03415	1.2
119.04924	0.2
121.02878	0.4
121.03704	0.1
123.04407	0.2
124.01589	0.5
125.02370	1.8
131.03419	0.2
133.02869	1.9
134.03146	0.9
135.04468	0.5
136.04832	0.2
137.02385	0.2
143.03445	0.3
147.04459	0.2
149.02379	0.5
149.04491	0.2
150.02693	0.2
151.00311	4.0
152.01096	1.8
153.09100	0.2
157.06474	0.1
159.04498	0.1
161.02388	0.4
161.04497	1.1
162.02744	0.2
163.00270	0.3
163.03946	0.4
164.00676	0.2
164.04373	0.2
165.01862	0.5
165.05484	0.1
169.01396	0.6
173.06061	0.2
175.03951	0.3
176.56715	0.1
178.99811	1.5
179.05579	0.5
180.05936	0.1
181.06450	0.2
191.03494	0.2
192.03795	0.2
196.05220	0.2
197.06116	0.3
199.03979	0.2
200.04419	0.2
201.01933	0.2
201.05412	0.2
207.10295	0.1
207.13937	0.2
208.10550	0.2
209.11859	0.2
212.94086	0.1
213.05292	0.2
214.05891	0.2
223.13329	0.1
224.13751	0.2
225.05542	0.8
225.14981	0.4
226.06012	0.2
226.15269	0.4
227.03456	0.2
240.04041	0.2
241.04929	0.3
243.06631	0.4
254.05667	0.2
256.03503	0.2
256.07156	0.1
257.03912	0.1
258.04843	0.1
259.06152	0.9
268.03720	0.5
268.12762	0.3
269.04602	24.7
269.14029	1.0
270.04971	0.2
282.05170	0.2
284.03354	0.4
285.03760	2.0
286.04404	1.3
287.05673	0.9
287.14645	0.2
297.04050	0.9
298.01062	0.2
298.04501	3.0
299.05402	2.2
300.05966	2.9
301.06058	0.2
310.04422	0.2
312.06107	0.4
316.02252	0.1
326.04117	0.2
327.05139	4.2
328.05496	17.1
329.05826	1.4
340.05386	0.5
357.06158	1.2
358.06573	5.0
359.06943	0.7
370.06586	0.5
387.20297	0.1
388.20758	1.1
389.21915	2.6
394.06500	0.3
400.75577	0.1
405.17807	0.2
448.09717	7.3
448.19400	0.4
449.10913	7.8
449.19519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3126
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01263	16.7
60.50142	0.3
61.98716	2.1
67.65443	0.3
69.86579	2.1
71.01268	1.6
71.38044	0.3
73.02839	0.4
78.94318	0.3
78.95796	1.6
85.02861	0.8
89.02341	1.2
91.14997	0.4
92.43122	0.3
95.64161	0.3
96.95890	0.7
98.19740	0.4
101.02326	1.0
110.23152	0.4
113.02320	0.5
125.19306	0.4
125.44201	0.4
134.09462	0.4
152.99521	2.3
153.09198	0.6
161.04526	1.2
171.87939	0.4
201.02544	0.6
211.13469	0.4
214.36327	0.4
225.14966	1.3
244.36844	0.4
255.03017	0.7
271.02731	0.5
284.03406	1.0
299.09155	0.5
301.03558	0.4
327.05209	0.7
337.10931	1.0
357.06351	0.5
385.31528	0.7
387.20459	2.3
403.32257	22.8
404.32593	3.9
429.30139	0.4
447.09964	1.8
447.31299	100.0
448.31631	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	447.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.9
71.01255	0.5
71.17171	0.7
78.64774	0.3
78.95795	16.3
87.66372	0.3
89.02325	0.6
94.98945	0.3
99.74955	0.3
104.20002	0.3
104.97365	0.6
110.98444	11.1
111.04616	0.3
113.02357	0.4
123.95629	0.3
137.00017	0.4
138.24051	0.3
144.79785	0.3
152.99583	0.5
167.01097	12.2
168.01361	0.3
185.02176	3.8
208.97615	0.3
225.00833	0.7
225.14935	0.9
261.22266	0.4
279.23349	100.0
280.23691	9.2
280.26746	0.5
347.25449	0.3
378.04199	0.3
387.20355	0.8
447.25259	24.3
448.25714	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	447.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	0.3
59.01262	4.1
69.03718	0.2
71.01291	0.5
71.20359	0.4
71.20683	0.2
73.02830	0.3
78.95796	5.5
85.02828	0.3
88.42361	0.2
89.02325	0.3
91.72450	0.2
93.42701	0.2
104.97318	0.2
105.67509	0.2
110.98441	4.6
129.47224	0.2
150.27708	0.2
152.99544	0.3
153.09137	0.3
161.04456	0.3
167.01141	2.3
185.02182	4.0
225.15033	0.4
279.23349	100.0
280.23685	11.5
312.52252	0.2
387.20197	0.5
447.25266	9.6
447.31073	0.3
448.25592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48724	0.4
53.22901	0.4
57.03343	2.9
59.01266	82.1
60.01601	1.1
61.98706	0.7
70.03942	1.5
71.01273	4.2
71.04910	0.6
73.02863	0.8
75.00778	1.0
83.23008	0.4
85.02850	1.9
87.00786	1.0
89.02365	2.5
91.03930	0.6
91.83067	0.5
96.95930	1.5
99.00803	0.6
100.84094	0.4
101.02354	1.8
103.73384	0.4
109.06496	0.6
111.94263	0.4
113.02343	1.7
119.03448	0.9
124.15964	0.4
128.08003	0.4
152.73901	0.4
153.09058	0.8
159.02916	0.4
161.04503	2.0
201.02525	0.5
201.76787	0.4
205.03625	0.4
225.14954	1.8
227.03493	1.2
227.16594	1.7
255.02994	1.4
256.03625	0.5
271.02509	0.7
271.09756	0.5
284.03384	1.8
285.04047	1.6
285.20816	1.7
293.24954	4.7
295.22809	1.2
300.02957	1.2
301.03732	0.5
311.25974	8.0
312.26425	1.2
313.23911	100.0
314.24249	8.7
327.05148	1.7
329.23804	0.6
337.23862	4.6
355.24933	2.1
362.11911	0.6
373.25986	6.5
387.20389	2.8
409.22937	0.5
429.28616	4.4
430.29166	0.8
447.09552	3.9
447.14301	0.7
447.15384	1.0
447.29816	29.8
448.09814	0.7
448.30096	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
57.13629	0.3
58.00475	1.1
59.01265	100.0
60.01602	1.0
61.98726	1.3
65.13531	0.3
69.50639	2.3
71.01270	18.9
71.70355	0.3
72.01597	0.3
72.99203	0.9
73.02845	1.3
83.01291	0.7
85.02833	3.4
87.00785	1.3
89.02337	30.8
90.02681	0.4
95.01305	1.0
99.00785	0.4
101.02347	11.0
101.23707	0.3
107.03416	0.4
107.92928	0.4
113.02356	9.7
114.02699	0.3
119.03415	16.1
120.03751	0.5
124.57643	0.3
125.02386	0.5
131.03439	1.8
137.09694	0.7
138.40999	0.3
143.03442	4.2
149.04535	1.3
159.03049	0.4
161.04509	8.4
166.85123	0.3
179.05571	19.8
180.05983	0.4
195.13911	0.4
197.15561	0.4
207.13885	0.4
220.72171	0.3
225.14931	2.1
225.16859	0.3
236.15752	0.3
267.12360	0.5
387.20325	6.5
388.20728	0.9
399.45886	0.3
447.22690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32431	0.2
57.03357	0.2
58.00472	0.5
59.01265	100.0
60.01597	1.2
61.93800	0.2
61.98719	1.1
65.00209	0.3
69.30131	0.3
69.30439	2.6
71.01270	6.4
72.99210	0.6
73.02846	1.2
75.00767	0.4
83.01265	0.5
85.02841	1.4
87.00780	0.9
89.02338	8.7
93.78526	0.2
95.01297	0.5
98.20349	1.0
101.02354	4.1
107.01314	0.4
109.02864	0.3
113.02355	3.5
113.03075	0.3
119.03412	3.7
119.04886	0.6
121.02869	0.5
131.03427	0.7
133.02870	0.5
136.98747	0.3
143.03436	1.0
149.04504	0.4
151.00339	0.8
159.04510	0.2
161.04482	1.8
163.00301	0.5
164.98274	0.7
179.05571	2.4
190.31769	0.2
225.05515	0.4
225.15038	0.8
227.03520	2.3
228.80733	0.2
243.03162	0.5
255.02998	3.6
256.03662	0.8
269.04742	0.4
270.05472	0.5
271.02591	2.4
282.05603	0.3
283.02380	0.3
283.09708	0.3
284.03345	2.6
285.04175	4.0
285.07797	1.0
285.13486	0.8
286.04550	0.4
297.04144	0.5
297.07663	0.3
299.05588	0.4
299.18887	0.4
300.02798	4.6
301.03549	3.7
302.04086	0.3
327.05316	1.5
343.12100	0.4
357.06342	0.8
387.20306	1.5
388.20709	0.3
447.09271	7.4
447.15845	0.3
447.21948	1.7
448.09720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
57.03341	1.0
58.00481	1.1
58.37503	0.4
59.01267	61.5
60.01608	0.7
61.98722	1.1
69.03355	0.6
70.18700	1.8
71.01274	25.3
71.04930	0.3
72.01637	0.5
72.99209	1.5
73.02839	14.5
74.03173	0.4
75.00776	0.5
77.27766	0.4
77.49268	0.4
78.55997	0.3
78.95774	0.4
82.53739	0.4
83.01279	5.6
85.02846	9.0
85.06480	2.6
85.99976	0.3
87.00770	3.5
88.67611	0.4
89.02343	8.6
95.01281	2.8
97.02887	0.7
97.06519	1.0
99.00781	4.2
101.02353	19.7
102.02660	0.4
109.02905	0.4
113.02360	10.9
113.09605	0.9
119.03422	4.0
125.02382	0.8
131.03421	0.8
135.04454	0.4
143.03438	1.0
149.04439	0.7
153.09166	0.5
153.12796	0.8
155.14355	11.2
159.02983	0.7
161.04530	3.7
165.09378	0.4
179.05559	0.7
181.12314	0.7
181.15965	4.2
182.16171	0.4
183.13989	0.6
199.13385	19.5
200.13791	0.8
225.14964	6.3
227.03535	0.8
255.03119	1.5
255.15823	0.5
271.02679	0.5
284.03275	1.0
285.03882	0.9
300.02924	1.1
301.03522	1.2
303.80444	0.4
313.20389	0.9
327.05225	1.0
354.33298	0.4
387.20309	13.8
387.24289	0.6
388.20688	1.5
391.08154	0.7
405.15970	0.7
405.21384	21.1
406.21780	2.0
447.10001	3.7
447.22449	100.0
448.09503	0.8
448.22787	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	447.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02527	1.0
59.01264	12.8
70.44717	2.7
71.01269	14.5
72.99204	1.7
73.02839	4.2
75.00774	1.3
78.36893	1.0
78.77068	1.2
85.02840	7.0
87.00755	5.1
89.02342	34.1
90.32760	0.9
96.95918	3.0
99.00755	2.0
101.02372	3.5
103.03920	2.3
105.01174	2.0
105.01842	18.1
108.02089	16.3
109.02918	6.4
114.36389	1.1
115.00272	1.2
123.04446	1.4
126.44215	1.1
131.03465	5.4
133.01344	2.5
133.05052	1.0
135.02937	3.5
142.24773	1.1
147.02907	1.7
149.04498	100.0
150.04874	1.9
152.01089	33.1
153.01936	5.2
161.04474	1.8
184.70081	0.9
191.02019	1.6
209.02985	2.6
299.40561	1.3
446.43967	1.1
447.11545	31.1
447.17432	2.1
448.11722	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	447.2247
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01773	1.2
56.74480	0.2
57.03341	2.3
57.19670	0.3
57.33745	0.2
58.00483	3.8
59.01265	100.0
60.01600	1.0
61.02810	0.3
61.98714	0.4
69.03346	0.5
71.01270	73.7
71.04896	0.3
72.01608	1.3
72.99197	4.8
73.02836	9.3
75.00782	0.5
81.03359	0.3
81.12976	0.3
83.01281	3.9
85.02843	13.3
86.03227	0.4
87.00771	3.4
89.02338	99.0
90.02675	1.5
95.01295	2.9
97.02828	1.2
99.00781	4.9
101.02347	43.6
102.02688	1.0
109.02876	0.4
113.02358	24.6
114.02711	0.6
115.03928	0.5
119.03420	25.1
120.03767	0.5
125.02375	2.7
131.03427	20.2
132.03758	0.3
143.03427	5.6
148.38441	0.2
149.04498	38.8
150.04843	0.6
153.01924	0.3
161.04501	6.8
179.05573	15.0
180.05981	0.7
185.52287	0.2
191.05594	8.9
192.05858	0.4
225.14961	0.8
233.06757	0.5
243.16003	0.6
251.07730	0.7
255.03090	0.5
255.15964	0.5
281.08514	0.3
284.03372	0.4
293.08817	0.6
293.25027	0.6
300.02838	0.5
311.25958	1.1
313.20428	0.9
313.23911	11.8
314.24234	0.7
315.18207	2.2
327.05240	0.4
337.24011	0.8
355.24805	0.7
367.11771	0.3
373.25974	1.0
387.19965	0.6
429.28299	0.4
447.09506	1.5
447.15918	0.5
447.22406	9.4
447.29636	4.2
448.09164	0.4
448.22748	1.0
448.29565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09256	0.4
59.01265	13.6
61.98708	0.9
69.32011	0.7
69.32417	4.4
71.01263	2.0
85.02847	0.8
87.00781	0.5
89.02328	1.3
96.95910	2.4
101.02332	1.3
113.02346	1.2
119.03440	0.5
149.06027	0.9
161.04478	1.2
161.05934	0.4
185.06046	0.5
187.03996	0.8
195.04535	0.6
196.05421	0.6
199.03961	0.5
201.05585	1.2
202.06206	0.7
211.13440	0.5
212.04788	1.0
213.05598	0.8
214.06299	0.5
215.07132	1.1
220.05153	0.5
223.07202	0.4
225.05679	0.5
225.09061	0.7
225.15031	1.3
227.03545	0.8
227.07155	3.0
228.07858	0.9
229.05130	0.7
230.05852	1.3
235.07579	1.0
237.05548	1.6
238.06284	0.7
241.08664	2.3
243.10231	0.6
251.07195	0.6
252.04219	0.5
252.07893	0.9
253.08731	3.4
255.03055	1.7
264.07874	0.5
271.09818	60.9
272.10181	5.3
275.07288	0.4
277.05072	0.6
279.06808	0.7
280.07437	0.5
284.03250	1.3
285.03955	1.1
285.20844	0.7
289.05316	1.0
289.08792	0.9
291.06799	0.6
291.10141	0.8
292.07407	0.6
293.08145	0.5
297.07718	0.5
300.02933	1.3
301.05182	1.3
301.08420	0.6
303.06689	1.4
304.04022	0.6
304.07150	0.6
305.04709	2.6
305.07816	0.6
306.05215	0.7
307.06149	1.0
307.09818	0.6
308.07037	0.5
309.07712	1.7
313.08646	0.7
314.06003	0.5
314.09436	0.7
315.06744	0.7
317.04523	1.3
317.08261	2.3
318.05408	0.7
318.08829	0.7
319.06097	2.7
319.09784	5.3
320.06754	0.6
320.10217	1.1
321.07703	2.9
325.03967	0.5
327.05493	1.0
329.04581	0.7
329.08270	1.5
330.09036	0.7
331.06223	1.2
332.06985	0.6
333.07809	1.5
334.08414	0.7
335.09332	7.0
336.10074	15.6
337.10880	11.5
337.23859	0.9
338.11096	0.9
339.06610	0.6
339.10480	0.6
341.08246	0.9
343.06052	0.9
343.09863	0.6
345.07858	1.2
347.05731	1.2
347.09537	0.5
349.06946	0.6
355.06284	2.5
355.09836	0.8
355.13510	0.9
355.24985	1.8
357.07666	1.6
358.08475	1.3
359.09314	1.0
369.07730	2.3
370.08441	1.1
371.09155	1.2
371.13220	1.0
373.06967	1.1
373.26105	2.1
375.09055	0.7
381.11395	1.3
382.11923	0.6
383.09311	0.9
384.10214	0.9
387.08685	2.1
387.20331	1.8
388.09695	1.3
389.10117	0.8
399.12500	7.9
400.12863	0.9
411.12347	1.0
417.13605	6.7
418.13821	1.0
429.13434	2.3
447.09808	4.1
447.14609	100.0
447.29828	2.1
448.10281	0.6
448.15009	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	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66465	0.1
59.01261	1.6
61.98693	0.1
62.94271	0.1
62.96290	1.1
70.47944	0.2
70.48332	0.2
71.01255	0.2
78.95792	36.8
80.91564	0.2
96.96859	2.2
101.02343	0.1
121.02859	0.2
125.16431	0.1
134.96742	0.1
138.38939	0.1
143.03334	0.1
149.00027	17.6
150.00388	0.3
151.01532	0.2
158.92482	1.7
179.01103	2.4
181.23158	0.1
205.15961	1.5
240.96780	0.3
267.11710	0.3
285.04208	0.2
333.06741	0.2
347.08194	0.4
387.20282	0.2
417.12656	0.9
424.25958	0.1
431.10367	2.5
432.10822	0.4
447.13501	100.0
448.13852	10.3
464.09851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1459
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
55.46331	0.3
59.01261	6.8
61.16052	0.4
70.85041	0.4
70.85367	0.9
71.01252	0.6
87.00754	0.5
89.02317	0.8
92.45699	0.4
101.02345	0.4
109.26018	0.4
111.71522	0.4
112.49163	0.4
113.02322	0.4
137.02393	0.5
149.05980	1.2
173.89313	0.4
183.13812	0.5
185.05965	0.6
187.03970	0.4
190.51735	0.5
196.05136	0.5
201.05553	0.9
207.08124	0.6
211.04074	0.4
212.04819	0.9
213.05470	0.9
215.07106	0.7
225.05489	0.5
225.09235	0.5
226.06293	0.4
227.07199	2.3
228.07799	0.7
230.05806	1.6
233.32442	0.4
235.07698	1.2
237.05516	2.1
238.06419	0.7
241.08748	3.0
251.07014	0.6
252.07829	0.6
253.08690	3.6
254.09521	0.8
255.02934	0.6
260.07025	0.7
271.09808	55.0
272.10193	3.8
276.70920	0.4
279.06772	0.5
284.03369	0.6
285.20651	0.6
287.07022	0.5
288.04614	0.6
289.05255	0.6
289.08813	0.5
290.05688	0.6
290.09335	0.6
291.06744	0.6
291.10223	0.9
293.08359	0.8
299.07266	0.5
300.02899	0.4
301.05087	0.6
301.08658	0.7
303.06650	1.0
305.04684	2.2
305.07938	0.6
306.05365	0.8
307.06305	0.8
307.09708	0.5
309.07690	1.8
313.08527	0.6
315.06747	0.7
315.10257	0.6
317.04752	0.9
317.08270	2.1
318.05417	0.8
318.08850	0.6
319.06104	2.5
319.09796	6.3
320.06879	0.6
320.10291	0.9
321.07828	3.0
327.06033	0.7
329.08188	0.7
330.05322	0.5
331.06067	1.1
331.09854	0.6
332.06732	0.5
333.07727	1.2
334.08530	0.5
335.05542	0.7
335.09293	5.5
336.10071	13.4
337.10852	10.7
338.11230	0.9
341.08209	1.1
343.06015	0.5
343.09824	0.9
344.10672	0.5
345.07788	1.1
346.04877	0.7
347.05646	1.0
353.11826	0.8
355.06195	2.4
355.09869	0.4
356.06778	0.7
357.07626	1.2
358.08429	0.9
359.05551	0.5
359.09421	0.6
360.10001	0.8
367.09869	0.6
369.07718	2.2
370.08359	1.3
371.09140	1.1
371.13226	0.9
372.06210	0.5
372.10373	0.5
373.07162	0.6
381.11508	1.2
382.11975	0.7
383.09277	0.9
384.10266	0.6
387.08820	2.1
388.09464	1.5
389.10007	0.6
399.12524	7.5
400.12805	1.1
411.12369	0.8
417.13644	5.9
418.13690	0.8
429.13562	1.6
447.14584	100.0
448.14960	14.5
471.78467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.131
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02285	0.7
55.01787	0.6
59.01265	24.3
61.98719	1.2
63.32672	0.5
65.00192	0.5
69.03345	73.5
69.93890	3.3
70.03681	1.1
71.01267	4.3
73.02835	2.7
77.03860	1.0
79.01773	14.9
79.02199	1.0
81.03349	4.2
83.01282	1.8
85.02846	3.4
87.00780	0.6
87.04355	0.6
89.02343	1.9
93.03374	2.7
95.01293	8.8
97.02855	40.8
97.89004	0.5
98.03176	1.4
98.88484	0.5
99.00764	1.0
101.02343	4.2
107.01295	42.2
107.04941	0.8
108.02109	13.4
109.02889	7.6
113.02372	3.3
119.04942	11.7
121.02872	12.9
122.03622	0.7
123.00805	15.3
123.04412	0.9
125.02371	98.3
126.02718	4.3
131.03401	0.6
133.02902	2.9
134.03677	1.4
135.00806	3.1
135.04456	2.5
136.01591	6.0
137.02374	9.4
145.02892	1.2
147.04494	0.7
149.02385	3.9
150.03224	0.8
151.00314	86.2
151.03888	1.5
152.00948	4.5
153.01883	19.5
161.02464	0.7
161.04468	1.3
163.03911	6.6
163.04984	0.6
165.01886	11.8
167.10725	0.7
169.06575	0.9
177.01910	10.1
179.03488	1.8
179.05592	0.6
182.03748	0.7
183.02924	0.6
191.03482	2.1
197.06062	8.3
198.03207	1.3
198.06644	1.1
207.02863	0.7
213.05545	1.3
215.07198	1.5
219.03116	1.5
225.15036	1.1
226.02708	6.2
227.03413	0.9
241.05289	0.9
242.05878	100.0
243.06616	61.7
243.09258	0.8
244.06906	5.0
254.02249	54.2
255.02652	5.8
255.06618	1.0
269.04602	17.9
270.05002	1.3
271.02585	0.7
279.05206	7.7
280.05573	0.6
284.03644	1.6
284.06955	20.1
285.04575	1.1
285.07724	33.4
286.08057	2.5
297.06149	12.1
298.06729	0.6
300.02921	2.2
301.03769	0.7
327.05145	1.2
327.08627	0.8
339.07288	14.2
340.07755	1.1
345.56213	0.6
387.11267	0.7
387.20331	2.0
392.13959	0.5
405.11710	0.7
405.21005	0.8
417.08386	8.5
418.08762	0.7
432.10736	2.9
447.13245	40.1
447.22012	3.4
448.13464	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	447.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50520	0.6
57.59469	0.6
58.46269	0.6
59.01265	6.3
65.44252	0.5
71.01272	6.3
71.22216	0.8
73.02825	1.7
82.05515	0.7
83.01312	0.9
85.02840	4.8
89.02340	2.1
95.01305	1.3
99.00802	3.1
101.02348	2.7
104.26279	0.6
108.02084	47.3
109.02277	0.9
109.02889	13.1
110.03245	0.8
113.02375	3.4
119.03370	0.8
123.00738	0.9
127.55083	0.7
135.04480	0.8
151.03949	2.3
152.01096	100.0
153.01680	5.1
161.04514	2.8
163.03957	2.8
177.01794	0.9
179.03456	0.7
315.07242	1.5
320.06625	0.6
355.83954	0.8
447.11551	74.4
448.11902	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0942
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.55930	0.3
59.01266	13.4
60.39606	0.3
63.02288	0.6
65.00211	2.3
71.01263	1.5
72.99178	0.7
73.02817	0.7
81.05942	0.3
83.01272	1.2
85.02840	0.6
88.98703	0.5
89.02320	1.4
91.01794	0.4
93.02866	0.4
93.03339	2.0
95.01254	1.0
98.19804	0.6
99.00772	0.5
101.02340	1.1
107.01302	2.9
108.02086	1.2
109.02852	2.3
109.99987	0.6
111.00777	1.2
113.02323	1.1
116.47882	0.4
117.03362	0.7
119.01311	0.4
121.02847	2.6
123.00783	1.2
123.04392	0.4
124.01580	0.8
125.02386	0.8
126.02758	0.3
135.00809	0.8
136.98715	0.7
137.02365	0.7
139.00301	0.9
143.04974	0.5
145.02881	0.4
148.01608	1.1
151.00316	13.1
152.01088	2.0
153.01837	1.0
155.04948	0.5
156.05855	0.5
159.04437	1.2
161.02411	0.4
161.04419	0.5
163.00340	3.5
165.01886	0.4
166.99750	0.4
169.01413	0.9
171.04468	1.7
173.02403	0.7
173.05992	0.5
174.03203	0.3
175.03952	0.7
177.01833	0.4
178.99831	6.2
181.01443	0.5
183.04437	1.6
184.05287	0.5
185.06091	1.3
187.03961	2.3
189.05655	0.4
193.98480	0.5
198.03168	0.5
199.03979	2.6
200.04678	0.4
201.02119	0.5
201.05582	1.3
202.02759	0.5
203.03500	0.5
211.03996	2.6
213.01912	0.4
213.05507	0.6
214.02800	0.5
215.03467	1.3
216.04205	0.6
217.05083	0.5
225.15106	0.6
226.02766	1.5
227.03499	8.3
228.04013	0.6
229.05101	2.4
239.03488	0.7
243.03027	12.3
244.03590	1.5
245.04567	2.3
254.02220	1.4
255.03026	29.3
256.03540	3.1
257.04608	8.0
258.04831	0.9
271.02533	37.3
272.03189	10.3
273.04053	3.8
283.02539	8.0
284.03180	1.5
285.04114	1.4
285.07816	0.4
285.13269	1.6
297.04108	0.4
299.01944	0.9
299.05185	0.4
300.02811	47.4
301.03586	79.5
302.03922	5.5
315.31110	0.4
327.07504	0.4
356.58997	0.4
387.20227	1.0
429.08084	0.5
447.09402	100.0
448.09729	12.4
448.16006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.3
63.02275	0.3
65.00224	0.3
74.33594	0.1
83.01265	0.2
85.14670	0.2
85.45707	0.2
89.02317	0.2
93.03350	0.4
101.02369	0.3
103.05052	0.2
107.01290	0.6
113.02373	0.2
125.02367	0.5
135.00760	0.3
149.02339	0.2
151.00298	2.2
152.01021	0.2
153.01906	0.3
157.06630	0.3
159.04443	0.3
163.00285	0.5
165.01909	0.2
169.01360	0.3
171.04523	0.2
173.05956	0.2
174.03200	0.4
178.99797	0.5
183.04448	0.8
185.02356	0.3
185.05984	0.5
187.03947	0.3
195.04471	0.2
200.04764	0.2
211.03972	1.3
212.04477	0.3
213.05518	0.5
227.03499	58.8
228.03851	4.0
229.05014	1.9
231.06499	0.2
239.03519	0.6
240.04311	0.2
241.05075	0.5
255.03023	79.2
256.03610	12.7
257.04419	1.6
269.04547	0.2
283.02615	0.4
284.03317	79.7
285.03992	23.5
286.04382	1.5
297.03876	0.2
299.05707	0.5
327.05051	1.5
332.90842	0.2
387.20325	0.3
447.09406	100.0
448.09753	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	447.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.3
69.34126	4.5
82.68990	0.4
103.11535	0.4
107.01307	0.8
110.29659	0.4
132.04433	0.5
135.00703	0.5
140.21082	0.5
151.00302	2.0
173.06134	0.5
181.90306	0.6
183.04463	1.1
211.03992	1.2
225.19041	0.6
227.03510	62.9
228.03867	4.2
229.05046	2.0
255.03023	79.1
256.03589	11.1
257.04388	1.7
261.61310	0.5
284.03323	71.3
285.04041	26.8
286.04495	1.5
327.05112	1.1
447.09409	100.0
448.09756	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	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.3
59.14009	0.7
60.13763	0.6
63.02267	1.5
65.00198	2.0
70.31622	1.4
70.32022	0.9
80.61901	0.6
83.01245	0.9
84.00887	0.6
98.20454	0.8
107.01289	4.4
108.02075	1.3
109.02873	2.9
111.22863	0.6
121.02885	3.5
130.59378	0.6
135.00815	1.0
143.44810	0.6
148.01584	2.0
150.27586	0.5
150.99155	1.2
151.00304	16.0
151.33795	0.6
152.00703	0.7
159.04381	0.9
163.00343	3.8
163.01472	0.6
164.01086	1.6
178.99835	7.8
183.04546	1.0
196.12389	0.6
196.28769	0.6
199.04073	0.7
201.05769	0.6
203.03557	0.6
203.44899	0.6
211.03984	2.2
215.03503	0.8
218.87025	0.6
226.02695	0.9
227.03494	4.1
229.05084	0.9
233.74409	0.6
243.02994	9.6
244.03302	0.8
245.04594	2.4
254.02190	1.1
255.03012	24.4
256.03439	1.8
257.04477	0.6
271.02518	47.1
272.03040	4.1
273.04099	1.5
283.02621	2.6
284.03275	1.1
285.04196	1.0
299.02005	1.4
300.02802	85.1
300.99930	0.9
301.03558	83.7
302.03949	7.9
447.09412	100.0
448.09763	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	447.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18246	0.5
52.95475	0.5
53.53802	0.5
57.84188	0.5
57.94019	0.5
59.01263	15.8
61.28437	0.5
61.98722	6.8
69.31316	4.4
69.31723	0.9
70.29993	0.6
71.01267	2.8
73.02826	0.8
77.03854	0.8
79.01778	1.0
83.01286	0.6
85.02835	1.1
87.00834	0.6
89.02359	2.4
97.02849	0.8
101.02357	1.5
107.01336	0.5
109.02860	3.0
113.02335	0.7
119.03429	0.6
119.04917	0.8
121.02893	2.7
124.31816	0.6
125.02381	1.2
133.02881	15.9
134.03444	0.6
135.04443	2.2
137.02379	0.8
146.60266	0.5
147.04472	1.3
149.02467	1.4
149.92723	0.5
151.00275	0.9
158.56895	0.5
161.02426	1.9
161.04503	0.8
163.00345	2.8
163.03951	2.7
165.01845	2.4
175.03943	3.5
177.01871	1.6
185.06007	0.7
190.10127	0.5
191.03568	0.7
193.01338	1.2
197.06056	0.6
198.03229	0.7
199.03992	2.4
201.01872	1.4
203.03438	1.0
211.03999	1.1
212.04668	0.9
213.05562	2.0
215.03380	1.0
217.05109	0.6
224.04890	0.6
225.05605	1.5
225.15019	0.5
226.06226	0.5
227.03493	1.1
227.07104	0.7
229.01520	0.7
229.04990	0.6
231.06757	0.7
239.03407	0.5
240.04344	1.4
241.05055	1.4
243.02959	0.6
253.05112	1.8
255.03143	1.6
255.06659	1.4
256.03766	0.8
267.12491	0.8
269.04578	1.8
270.05362	0.7
279.04059	0.5
281.04504	0.8
284.03360	7.0
285.04099	18.9
286.04541	1.1
297.04117	25.5
298.04831	18.3
299.05670	36.9
300.06009	3.1
309.04105	1.7
311.05737	7.2
312.05997	0.6
324.02780	1.9
325.03625	1.7
327.05176	100.0
328.05536	9.1
330.03906	1.9
339.05154	12.5
340.05600	1.6
341.06686	2.1
351.05374	0.6
357.06232	50.4
358.06552	4.0
365.06906	0.6
369.06174	3.2
385.18073	0.6
387.20325	1.3
399.07397	1.0
429.08365	5.3
430.08423	0.8
447.09415	62.1
448.09869	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	445.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49580	0.3
59.01266	9.9
64.75783	0.4
64.76197	0.3
65.06860	0.3
70.69840	0.4
70.77114	0.6
70.77512	0.6
71.01278	1.9
78.95792	17.6
83.04903	0.6
84.41923	0.3
89.02341	1.9
90.21127	0.3
91.55463	0.3
101.02301	1.0
104.97343	0.7
107.92423	0.3
110.98440	12.8
113.02320	0.8
119.03396	0.8
137.00034	0.5
152.08386	0.4
152.99498	0.8
153.09117	0.6
161.04413	0.5
167.01109	14.8
168.01431	0.3
179.05536	0.9
185.02171	3.9
205.12224	0.4
223.13393	0.4
259.20703	0.4
272.36969	0.4
277.21780	100.0
278.22131	9.6
385.18988	0.9
445.23767	25.6
446.24078	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.9
70.64870	0.2
70.65203	0.7
71.01240	0.5
75.81776	0.2
78.95792	5.4
89.02322	0.4
89.92585	0.2
95.01248	0.2
103.68025	0.2
110.98432	4.3
146.50674	0.2
152.99490	0.3
167.01093	2.3
168.11082	0.2
179.05539	0.3
185.00658	0.4
185.02167	4.0
233.22743	0.4
259.20831	0.4
262.37018	0.2
277.21765	100.0
278.22089	9.1
309.06876	0.2
359.83502	0.2
445.23755	9.9
445.29434	0.8
446.23965	1.1
463.14096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3333
Annotation	Nebrosteroid F
Peak:m/z	Relative Intensity
57.03341	4.1
59.01268	5.2
59.31812	0.1
61.98696	0.5
71.01267	1.0
73.91016	0.1
79.24937	0.1
83.04919	0.2
85.02817	0.2
86.44929	0.1
88.33498	0.1
89.02346	1.0
93.03410	0.1
101.02332	0.5
103.11024	0.1
105.52804	0.1
111.07990	0.2
113.02366	0.3
119.03395	0.5
153.09116	0.4
161.04472	0.3
179.05490	0.6
205.12325	0.3
205.15900	0.3
223.13463	0.2
285.24557	0.2
288.12833	0.1
293.11917	0.2
299.20151	0.1
333.27927	0.4
337.66953	0.1
338.37830	0.2
369.27997	0.1
373.27347	0.3
381.31735	0.5
383.29678	0.6
385.18726	0.5
385.31210	1.8
386.31592	0.4
401.34344	23.0
402.34689	3.6
411.29050	0.2
427.32303	7.4
428.32681	1.1
445.33347	100.0
446.33713	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	445.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.7
58.00476	1.3
59.01266	100.0
60.01599	1.2
69.50036	0.4
69.55828	3.1
71.01273	15.3
72.99207	1.7
73.02846	1.2
83.01305	1.8
85.02834	2.9
87.00787	1.3
89.02342	21.7
95.01295	0.8
101.02349	15.5
108.02060	0.8
109.06533	0.5
113.02356	5.1
119.03419	12.2
120.22654	0.4
123.04443	0.5
125.02369	0.4
131.03438	0.9
143.03485	1.5
149.04559	0.6
159.02919	0.6
161.04544	3.9
165.09158	1.2
179.05592	8.3
179.10742	3.2
187.11372	0.6
205.12331	4.0
206.12535	0.4
219.13828	0.4
223.13426	9.1
224.13881	0.4
229.12366	0.5
235.11542	0.4
235.13365	2.1
237.15062	1.4
247.13469	1.4
265.14481	3.9
266.14951	0.5
269.17169	0.4
307.15472	0.6
445.21024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82224	0.2
55.01765	0.3
57.03334	0.7
58.00473	0.4
59.01266	100.0
60.01600	0.8
69.72828	1.4
71.01271	8.7
71.04914	0.4
72.99205	0.8
73.02854	1.6
75.00768	0.4
79.05442	0.3
79.17256	0.2
83.01289	0.7
83.04903	0.2
85.02837	3.1
85.03309	0.3
87.00767	1.6
89.02339	11.2
95.01302	0.7
96.95930	0.3
97.06508	0.4
99.00795	0.7
101.02350	6.1
103.00344	0.2
104.04900	0.2
107.01286	0.3
108.08125	0.4
111.00835	0.3
113.02358	5.7
116.94729	0.2
117.97215	0.3
119.03414	4.9
125.02385	0.3
125.91366	0.2
129.01891	0.6
131.03465	0.6
137.09598	0.3
141.50702	0.2
143.03503	1.0
149.04538	0.6
149.06041	2.6
150.06381	1.4
151.06583	0.8
151.11139	0.2
152.07156	0.3
159.02995	0.3
161.04494	3.0
161.09604	0.4
165.09131	0.5
175.02400	0.2
175.07648	0.3
176.08406	0.4
177.12762	0.3
179.05576	3.6
187.11249	3.0
190.09988	0.4
192.98792	0.2
196.06258	0.3
204.11560	0.6
205.12325	2.7
209.11850	1.3
215.10698	0.4
223.09718	0.4
223.13391	0.3
225.18497	0.2
233.11856	1.3
236.63438	0.2
239.12953	2.6
240.13208	0.3
255.03030	0.5
259.13486	0.7
269.04633	4.6
270.05023	0.3
277.14490	1.4
283.02786	0.3
283.11957	5.6
283.15167	0.3
284.12442	0.4
325.13196	0.2
367.17548	0.3
385.18808	3.7
386.19174	0.5
395.86243	0.2
445.21280	0.9
446.08054	0.3
446.13419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00495	1.7
59.01266	100.0
60.01619	0.9
62.64936	0.5
64.22128	0.4
65.95081	0.5
71.01272	21.3
71.10443	0.9
72.99198	0.9
73.02837	0.8
83.01299	1.0
85.02827	3.1
87.00780	1.4
89.02341	36.2
95.01305	1.3
101.02349	10.9
108.89521	0.5
113.02352	9.1
119.03415	14.3
131.03456	2.0
138.06808	0.8
143.03442	4.4
144.49117	0.5
149.04518	1.7
151.07579	0.6
152.08391	1.6
153.09180	4.7
155.09691	0.5
161.04501	6.7
179.05573	24.0
191.98926	0.5
205.12364	1.6
223.13478	2.1
223.38240	0.5
301.49304	0.5
385.18726	5.5
445.21176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14853	0.4
59.01266	20.0
61.98716	0.6
69.11527	0.5
71.01257	1.5
71.31942	0.6
71.32272	0.4
84.42793	0.4
85.02839	0.7
89.02340	1.7
101.02335	0.9
109.02859	0.6
113.02369	0.8
119.03388	0.5
121.02849	1.3
133.06578	0.6
135.04466	1.0
145.02879	0.6
147.04465	1.5
148.04080	0.9
148.05244	13.8
149.00020	0.7
149.06029	31.8
150.06348	1.6
153.09108	0.8
155.05022	0.5
157.06564	0.5
159.04411	1.8
161.04472	0.7
167.04872	0.7
170.03705	0.5
171.04462	2.6
172.05296	2.0
173.05949	1.5
174.03212	0.8
175.04048	0.6
175.72179	0.5
179.05573	0.9
181.06541	0.5
183.04489	1.2
185.06067	3.1
186.06772	0.7
187.03961	1.5
189.05565	0.7
195.04562	0.6
196.05316	0.5
197.06062	1.5
198.03239	0.8
199.03992	10.3
199.07611	1.3
201.05624	0.7
203.03474	1.5
205.12350	0.6
205.15993	0.9
209.06049	1.5
210.06865	0.5
211.04056	2.2
211.07574	0.8
212.04761	1.7
212.08289	0.5
213.05545	5.6
214.02689	0.6
214.05974	0.5
215.03586	0.9
223.03986	0.9
223.07634	0.5
223.13379	0.5
224.04779	2.2
225.05519	3.7
226.02831	0.6
226.06206	1.0
227.03508	81.2
227.07188	2.4
228.03918	5.9
228.07806	0.7
229.05095	0.5
231.03004	3.0
232.03792	0.7
237.05591	4.7
237.09181	0.8
238.06355	1.8
239.03563	4.1
239.07161	2.9
240.04344	4.6
240.07924	2.0
241.05084	25.6
242.02209	2.8
242.05446	2.0
243.02960	1.7
243.06642	0.5
251.07147	0.6
251.10744	1.1
252.04213	0.6
253.05128	3.2
254.05893	23.0
255.03105	1.4
255.06644	13.9
255.10405	0.8
256.03922	3.1
256.07443	54.6
257.04559	1.4
257.07764	4.1
264.07809	0.7
266.05835	0.5
267.06659	0.8
268.07437	1.6
269.11823	2.0
270.05334	0.6
271.06253	3.2
277.08868	0.5
279.10321	1.1
280.11029	0.7
281.08347	0.6
295.09836	3.6
297.11386	74.8
298.11710	6.6
355.17001	2.9
375.08838	4.0
385.18289	1.9
397.26453	0.4
404.12750	5.5
405.13095	1.0
427.15240	0.5
445.16666	100.0
446.16980	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	445.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20474	0.3
59.01264	9.4
61.98704	1.1
65.79927	0.4
70.96333	0.4
71.01266	1.8
71.27876	0.9
71.52110	0.4
85.02827	0.7
89.02330	1.7
101.02350	0.7
107.04901	0.4
109.02837	0.7
113.02352	0.5
113.05119	0.4
119.03483	0.5
121.02865	1.1
122.03623	0.6
133.06465	0.5
135.04401	1.0
135.12950	0.4
143.04913	0.4
145.02870	0.4
147.04437	1.8
148.04088	0.9
148.05240	14.2
149.06024	30.1
150.06351	1.3
155.04945	0.6
159.04440	1.3
161.02345	0.6
169.06615	0.5
171.04472	2.5
172.05180	1.8
173.06030	0.9
174.03130	0.8
175.04021	0.7
179.05527	1.0
183.04437	1.3
185.06032	2.3
187.03955	1.2
189.05525	1.0
195.04469	0.7
196.05261	0.5
197.06044	1.6
198.03183	1.0
199.03993	8.8
199.07654	0.9
200.04367	0.9
200.08411	0.5
201.05612	0.5
203.03491	1.6
205.12439	0.5
209.06119	0.6
209.54639	0.4
211.03940	2.2
212.04778	1.8
212.08398	0.8
213.05571	7.1
214.02588	0.6
214.05946	0.7
215.03467	1.2
220.29971	0.4
223.03957	0.8
224.04771	2.1
225.05586	3.3
225.09105	0.6
226.02682	1.0
226.06238	1.1
227.03511	79.4
228.03867	4.8
228.07794	0.5
229.05046	0.5
231.02972	2.8
232.03642	0.6
237.05580	4.3
237.09186	0.7
238.06326	2.3
239.03505	3.9
239.07156	2.4
240.04256	3.9
240.07881	1.9
241.05074	24.0
241.12247	0.5
242.02283	2.0
242.05487	2.2
243.02991	1.5
249.09398	0.4
251.07187	0.7
251.10878	0.7
253.05028	2.9
254.05887	19.9
255.03142	1.3
255.06630	13.6
255.10474	0.8
256.03906	2.5
256.07446	51.8
257.04868	0.8
257.07806	4.0
264.08188	0.4
267.06689	1.3
267.10123	0.8
268.07501	1.0
269.11871	1.7
271.06137	3.3
279.10349	1.1
281.08130	0.7
295.09827	3.7
296.10358	0.4
297.11383	67.7
298.11694	6.2
303.10336	0.7
305.11499	0.5
312.10144	0.4
343.09659	0.5
347.09381	0.6
371.09195	0.6
375.08755	3.1
385.18912	0.8
404.12830	5.2
405.13177	0.7
445.16666	100.0
446.16983	15.0
446.23267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
58.11953	0.1
59.01267	4.5
69.03345	0.2
69.30070	0.1
69.30423	1.1
71.01268	3.3
73.02844	0.8
81.03361	0.1
81.03883	0.1
82.13792	0.1
83.01263	0.3
83.04889	0.1
85.02841	0.9
87.00725	0.1
89.02343	2.7
95.01283	0.2
97.00802	0.1
97.02821	0.2
99.00756	0.2
101.02347	1.2
113.02368	0.8
119.03370	0.2
125.02360	0.8
126.48137	0.1
131.02629	0.1
131.03442	0.7
137.02371	0.1
143.03375	0.2
149.04466	0.6
149.05750	0.1
159.02827	0.1
161.04527	1.1
168.09280	0.1
169.06479	0.2
179.05565	0.1
180.05737	0.2
181.04976	0.2
181.06537	1.9
182.06828	0.2
183.04506	0.5
191.05602	0.3
197.06076	1.4
198.06833	1.3
199.07710	0.1
203.21298	0.1
208.05273	0.1
209.06044	0.4
225.05576	40.0
226.06215	7.8
227.06671	0.4
233.06757	0.2
239.07159	0.2
240.07877	0.2
241.08725	100.0
242.09064	7.8
255.03014	0.2
265.18457	0.1
269.04636	0.2
283.02625	0.1
283.09906	0.1
293.08945	0.6
297.88541	0.1
298.04672	0.2
313.03604	0.1
327.21860	0.2
385.12967	1.3
386.13470	0.2
403.14114	0.9
404.14478	0.1
445.15878	0.7
446.15570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1303
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
59.01264	6.4
61.98716	0.7
62.29728	0.5
67.01772	1.3
68.99709	0.8
69.47484	5.5
71.01270	1.4
81.03346	1.3
83.91615	0.6
85.02843	1.1
89.02306	0.7
98.19793	0.7
99.66664	0.6
101.02354	0.7
107.01325	0.8
109.02866	15.6
147.04419	0.6
174.03128	1.2
175.03864	0.8
185.06110	1.1
186.03128	0.6
191.83527	0.6
199.03995	1.0
200.04816	1.6
201.05580	4.0
213.05524	0.8
214.02428	0.5
214.06128	0.8
215.07123	13.9
216.07446	0.8
225.05565	1.0
227.03609	0.6
227.07149	0.7
228.04352	1.4
229.05118	2.1
240.07973	1.0
241.08615	1.9
250.06470	0.8
251.07182	1.6
255.69247	0.6
262.06311	0.8
264.04446	0.7
266.05920	1.0
269.08240	18.5
270.08545	1.2
273.05423	0.7
275.07193	1.3
277.05191	1.1
279.06711	2.9
280.07394	0.7
281.04651	0.8
289.04938	1.8
289.08469	1.0
290.05893	0.7
291.07098	1.0
291.10361	3.3
292.10724	0.7
293.04614	0.9
297.07755	3.5
301.05161	1.7
301.08923	2.0
302.06113	0.8
302.09283	0.8
303.06870	2.9
304.03784	0.8
304.07291	1.4
305.04709	3.3
305.07867	0.9
306.05283	0.8
307.06186	1.6
307.09839	1.6
308.06879	1.8
309.07590	1.3
313.08688	1.2
314.05835	0.7
315.06683	2.2
316.04062	0.8
316.07404	0.8
317.04605	2.7
317.08276	2.7
318.05368	3.9
318.08810	1.1
319.02710	0.8
319.06149	3.4
319.09750	19.2
320.06937	1.1
320.10132	4.2
321.07672	4.0
327.06613	1.3
328.07501	0.9
329.04706	0.9
329.08200	2.9
330.05325	1.5
330.09082	2.7
331.06186	3.4
331.09634	1.2
332.06949	2.1
333.04132	1.3
333.07748	3.8
334.08334	1.0
335.05804	0.7
335.09280	16.3
336.10037	7.2
337.10901	41.9
338.11310	4.3
339.06735	1.7
340.07483	1.2
341.04587	1.7
341.08310	2.8
342.05276	0.8
342.09018	1.3
343.06116	3.2
343.09738	0.9
344.06656	0.7
345.04050	3.2
345.07779	1.9
346.04962	2.4
347.05679	3.4
347.09128	1.0
348.06143	0.7
349.07175	3.2
353.04626	1.4
353.12308	0.8
355.06134	1.0
355.09906	1.5
357.03979	0.6
357.07767	5.9
357.11520	0.8
358.04718	0.9
358.08475	5.0
359.05594	3.7
359.09314	1.8
360.06104	1.1
360.10245	0.8
361.07108	3.4
369.07761	2.8
370.08432	0.9
371.05634	2.6
371.13257	1.3
372.06305	1.3
373.06970	0.9
373.11014	1.4
374.07709	0.7
375.04803	3.5
375.08890	2.0
376.05457	0.7
376.09622	1.4
381.11322	2.0
383.09305	2.4
384.10190	0.8
385.07257	2.6
386.08054	15.9
387.08575	4.2
388.09564	1.7
389.06689	1.6
399.12732	6.1
401.10425	3.0
401.15063	0.7
402.11078	2.2
403.11942	1.6
404.09045	4.8
405.09219	0.8
409.10989	1.9
411.08850	2.0
416.08856	2.2
417.13638	9.0
418.13910	1.4
427.11966	34.6
428.12170	4.8
445.13031	100.0
446.13348	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	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93006	0.3
59.01265	5.4
63.02276	0.4
65.00237	0.4
71.01266	1.5
71.42424	0.7
73.02802	0.3
83.01291	0.5
85.02842	0.6
86.76781	0.3
89.02334	0.7
93.03353	0.4
96.95908	0.3
101.02345	0.7
107.01307	0.5
110.30498	0.3
113.02370	0.4
117.03394	0.5
119.03447	0.5
149.06079	0.4
151.00325	1.9
155.05028	0.4
159.04509	0.3
164.01106	0.3
165.05620	0.3
171.04361	0.4
183.04480	2.0
185.02411	0.4
187.03993	0.7
196.33067	0.3
211.03984	3.8
212.04202	0.4
213.02063	0.7
226.02684	1.0
226.06328	0.7
227.03487	3.1
241.05083	3.0
241.08768	0.8
254.02277	1.5
255.03023	75.1
256.00882	0.5
256.03378	5.5
269.04599	5.2
270.05283	1.3
283.02536	81.5
284.03149	13.4
285.03729	0.8
298.04892	44.2
299.05499	11.5
300.05704	0.4
341.06967	0.8
362.75104	0.3
445.11496	100.0
446.11850	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	445.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.4
63.02299	0.2
65.00247	0.5
71.01265	1.1
71.60772	0.2
71.61193	0.3
71.78376	0.2
72.99212	0.2
73.02831	0.4
75.00756	0.3
76.54491	0.1
79.01875	0.1
83.01285	0.4
85.02844	0.6
89.02327	0.9
93.03351	0.4
96.95915	0.7
101.02334	0.7
107.01301	0.7
113.02340	0.5
117.03379	0.5
119.03432	0.2
121.02847	0.2
125.02341	0.3
131.08702	0.1
132.02092	0.2
136.86488	0.1
143.03400	0.2
149.02376	0.2
149.06017	0.7
151.00290	2.1
159.04408	0.4
161.04526	0.4
164.01115	0.5
165.05424	0.2
167.05037	0.4
169.01352	0.2
173.06107	0.2
182.03662	0.3
183.04475	2.4
185.02386	0.3
187.03952	0.7
199.03986	0.3
210.03157	0.2
211.03992	4.6
212.04358	0.4
213.01874	0.9
213.44337	0.2
215.03499	0.2
226.02718	1.7
226.06425	0.5
227.03511	3.7
228.03865	0.4
237.01988	0.2
239.03612	0.2
241.05061	3.2
241.08839	0.5
242.05693	0.3
254.02182	1.4
255.03024	88.6
256.03384	6.8
269.04587	6.2
270.05249	1.4
271.05920	0.2
282.01620	0.2
283.02530	97.8
284.03119	15.2
285.03708	0.8
298.04886	50.6
299.05539	12.7
300.06015	0.7
341.06711	0.9
445.11481	100.0
446.11819	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	443.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47246	0.3
51.48838	0.4
55.01773	1.3
57.03336	1.0
58.00470	1.0
59.01265	23.4
61.98734	0.3
62.08662	0.3
71.01271	21.1
71.33683	0.5
72.99207	2.0
73.02832	2.8
75.00745	1.9
83.01276	1.9
85.02846	6.8
87.00765	1.3
89.02335	13.4
95.01295	1.6
96.95919	0.4
99.00783	1.6
101.02350	16.3
102.02652	0.4
111.04419	0.8
113.02360	8.2
114.67110	0.4
119.03418	5.9
123.08135	0.6
125.02329	0.8
131.03412	0.9
131.04977	0.7
143.03403	0.8
149.04507	1.2
149.06015	0.4
159.02898	0.6
161.04504	1.9
171.11717	0.4
189.12852	1.1
219.13824	0.5
219.22710	0.4
237.14906	1.0
281.14038	0.5
412.77960	0.5
443.19312	100.0
444.19675	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	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77120	0.5
55.75003	0.5
59.01265	100.0
60.01595	1.1
61.40593	0.6
61.98719	1.8
71.01265	1.1
71.59812	0.7
85.02837	0.6
89.02371	1.3
91.03900	8.9
96.95921	0.6
101.02335	1.1
105.25512	0.5
123.04409	0.6
147.58997	0.5
149.06009	1.3
191.87245	0.6
195.13898	1.1
221.15567	1.1
223.13565	0.8
251.16986	0.6
265.27731	0.5
291.19763	5.3
292.20181	0.5
309.20782	25.2
310.21048	2.6
341.10880	0.9
359.08005	1.2
385.48068	0.5
443.09027	0.6
443.28680	0.8
462.42389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03327	1.5
58.00473	2.3
59.01266	50.2
60.99203	1.2
61.23555	0.6
67.09433	0.5
71.01273	26.3
71.47100	1.2
72.01582	0.8
72.07404	0.5
72.99196	2.8
73.02829	3.2
75.00726	0.6
76.56430	0.5
83.01273	2.8
83.04911	0.8
84.17717	0.4
85.02842	10.4
87.00765	2.0
88.98709	8.1
89.02338	19.6
95.01298	3.1
95.66912	0.5
99.00761	2.0
101.02349	17.3
111.91787	0.5
113.02352	10.4
117.03372	1.2
119.03415	5.8
133.40352	0.5
134.03632	1.7
149.05992	1.9
171.11668	1.4
175.03867	0.8
183.04529	0.6
189.12759	1.1
193.05011	1.4
203.10852	0.5
249.06209	0.9
267.07263	1.9
281.13855	0.5
297.07849	3.0
312.46182	0.5
320.07660	0.6
323.05576	0.9
325.07294	1.1
353.06580	4.1
354.07166	0.7
356.05377	0.6
365.06671	0.9
383.07358	2.7
425.08502	0.6
443.10410	4.8
443.19293	100.0
444.10367	0.7
444.19623	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	443.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.0
57.03324	1.6
58.00481	1.2
59.01267	35.3
69.52453	0.5
70.39108	0.9
70.39529	1.2
71.01273	24.0
71.66473	0.5
72.99193	1.6
73.02833	4.4
75.00750	0.9
81.27002	0.4
83.01289	3.8
83.04934	0.6
85.02844	7.8
85.03348	0.5
87.00781	0.8
89.02339	17.6
95.01303	2.2
99.00781	1.6
101.02348	19.4
102.02670	0.5
111.04427	1.1
113.02354	9.3
119.03423	6.6
131.40178	0.5
161.04480	1.3
179.05493	0.5
189.12842	1.3
237.14946	0.7
409.42804	0.5
443.19308	100.0
444.19659	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	443.1567
Annotation	Manglieside B
Peak:m/z	Relative Intensity
59.01263	1.8
60.12861	0.1
69.03354	0.1
69.83275	0.3
69.83685	0.2
71.01268	1.8
72.99184	0.3
73.02834	0.3
75.00751	0.1
75.12618	0.1
83.01267	0.1
85.02846	0.3
87.00741	0.1
89.02341	2.0
93.03304	0.1
95.01294	0.1
95.67097	0.1
97.02836	0.1
99.00782	0.1
101.02354	0.6
108.02073	0.5
113.02388	0.5
119.03417	0.1
119.04867	0.1
121.06507	0.2
122.03639	0.6
125.02359	1.0
130.04120	0.2
131.03430	0.5
131.04890	0.1
133.06525	0.1
140.49991	0.1
143.03488	0.1
147.04454	1.0
148.05237	1.7
149.06017	100.0
150.06355	5.2
160.16255	0.1
175.06244	0.1
191.05582	0.4
233.06744	0.5
280.18027	0.1
293.08847	1.6
311.11343	0.1
312.34354	0.1
337.08121	0.1
443.15643	1.6
444.16125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03323	0.2
59.01266	6.2
69.03338	0.6
69.85706	1.2
70.12625	0.2
71.01272	6.3
72.99194	0.4
73.02827	0.6
81.03363	0.4
83.01270	0.2
85.02841	1.2
87.00754	0.4
89.02336	8.3
90.02655	0.2
97.02847	0.7
99.00772	0.3
101.02354	1.9
105.06992	1.5
107.04943	0.7
108.02086	1.1
113.02346	1.2
119.03433	0.3
121.02895	0.2
122.03666	0.7
125.02367	3.1
130.04150	0.4
131.03445	2.6
131.04971	0.6
133.06522	0.6
134.03680	0.7
139.03944	0.3
143.03447	0.4
147.04434	1.2
148.05225	1.3
149.06024	100.0
150.06367	4.8
168.88155	0.2
191.05643	1.2
191.07092	0.3
233.06694	0.8
263.46585	0.2
293.08850	3.7
294.09235	0.2
443.15555	5.9
444.16132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80132	1.6
53.21288	1.9
59.01273	9.2
61.98709	3.9
71.01243	2.7
71.14365	1.9
71.60432	2.3
71.60785	2.1
89.84648	1.8
104.57175	2.0
149.06020	7.7
154.68719	1.8
199.81514	2.0
249.09415	1.9
298.06372	3.7
299.07199	3.0
313.08649	3.1
314.09583	5.5
323.07013	2.4
326.05505	2.0
327.06665	10.3
341.08157	7.9
342.08795	2.4
343.09891	7.1
353.08405	4.3
354.05521	5.0
355.06229	5.9
369.07751	7.5
370.08383	5.7
371.09335	2.2
383.12766	2.2
387.08801	19.1
401.10281	3.0
402.11258	3.5
443.15082	100.0
443.27570	3.2
443.32300	3.8
444.15405	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	443.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.3
61.98707	0.6
71.04683	0.7
78.95798	0.6
89.02306	0.4
95.77830	0.3
108.02097	0.3
110.98452	0.6
121.02842	0.6
122.03644	0.8
133.06500	0.8
141.07037	1.1
147.04459	1.3
147.19893	0.4
148.05238	16.8
149.06021	55.5
150.06396	2.4
155.05075	0.6
161.89940	0.3
167.05013	1.8
168.05714	0.6
169.06546	5.9
170.06914	0.4
180.05901	0.4
181.06396	0.3
183.04509	1.1
185.02165	1.4
185.06006	2.2
186.55370	0.4
187.07645	4.0
189.01906	0.4
195.04437	1.7
195.08136	0.7
196.05301	2.7
197.04234	0.7
197.06056	15.2
198.06580	1.2
199.03938	0.6
201.05540	1.3
209.06215	0.5
209.09848	0.9
211.03885	0.4
213.05539	2.6
214.06181	0.7
215.07233	0.6
216.44325	0.3
219.08081	0.4
221.06061	0.5
222.06870	1.5
223.07637	6.6
224.04779	9.9
224.08185	0.8
225.05573	59.2
225.09216	3.0
226.06299	19.5
227.06764	1.4
235.07550	1.7
236.04822	0.4
236.08517	2.2
237.09187	3.5
238.06337	0.7
238.09924	2.5
239.07140	0.8
239.10764	2.1
241.05046	4.7
242.05669	0.6
249.05582	1.2
249.09216	0.8
250.06400	2.6
251.07120	4.0
251.10936	0.7
252.04330	1.6
253.05089	1.8
253.08775	0.5
254.05859	2.8
254.09438	0.6
263.07043	0.8
264.07925	1.3
265.08752	18.9
266.09445	5.5
267.10071	0.7
269.04605	0.6
275.20117	0.7
278.05942	0.5
290.73444	0.4
293.08224	4.1
294.08926	1.4
295.09787	2.4
301.12399	0.5
315.10269	0.7
329.11948	0.5
330.12628	4.1
331.13028	0.7
374.11649	3.0
375.12021	0.5
383.29816	0.5
387.15823	1.0
387.37317	0.4
399.33194	0.6
402.11185	3.6
403.11133	0.6
415.15732	2.0
416.16000	0.4
443.15097	100.0
444.15442	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	443.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95922	1.4
59.01260	7.7
61.98709	5.1
65.03841	2.0
68.02261	1.4
71.01257	2.1
85.02804	1.6
89.02359	1.6
93.03351	1.4
94.19121	1.3
108.02069	2.2
109.02840	3.5
117.03423	2.2
119.04930	4.4
129.03391	4.1
131.04895	1.8
133.06543	3.8
135.04430	7.2
143.04980	10.3
145.02898	4.6
146.03668	15.6
147.04454	80.1
148.05244	12.0
149.06024	100.0
150.06335	4.9
157.06471	1.6
158.03735	1.8
159.04466	33.1
160.04921	2.2
161.02390	7.1
161.06027	31.9
163.03844	1.9
171.04512	7.0
172.05269	2.9
173.06055	18.0
174.03188	15.6
174.06393	3.0
175.03654	2.0
181.12360	1.5
183.04465	3.1
185.06000	2.4
187.03998	6.2
188.04730	12.5
189.05545	47.2
190.05847	3.6
196.05225	3.6
197.06075	6.6
198.03105	2.2
199.03864	2.4
209.06073	2.9
209.09637	2.6
211.03925	3.0
213.05569	2.5
215.03433	1.9
215.07118	4.1
221.06023	1.6
222.06786	2.1
223.07578	4.0
224.04787	6.2
225.05589	14.0
225.09134	3.9
226.02573	1.7
226.06165	3.3
227.03563	2.8
229.04752	1.6
235.07655	3.2
237.05562	2.2
237.09175	4.7
238.06319	3.1
241.05060	3.1
247.07599	2.3
249.05606	3.3
249.09229	6.9
251.03424	2.4
251.07198	6.4
252.04323	4.1
252.07556	1.8
253.05154	14.9
253.08853	1.8
254.05783	10.5
265.08707	13.6
266.09314	2.8
275.07141	4.9
276.07932	3.4
277.08624	3.2
279.06638	3.2
281.08032	1.9
293.08286	25.8
294.09015	11.8
295.09814	56.7
296.10162	5.5
371.10870	2.0
402.11176	18.6
403.11688	2.3
443.15118	43.7
443.27631	5.9
443.32129	6.0
444.15366	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	442.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05853	0.2
51.18684	0.2
53.53349	0.2
54.65249	0.2
59.01263	3.6
60.01604	0.4
61.01689	0.6
61.98717	100.0
65.59731	0.3
67.98798	0.2
70.48560	0.9
71.01263	2.8
71.01559	0.2
72.01611	0.4
72.99210	0.7
73.01685	0.3
73.02836	0.6
75.00782	0.3
78.08749	0.2
85.02849	1.0
87.00771	0.5
89.02335	2.1
90.02671	0.7
91.02773	0.3
99.00828	0.3
101.02368	1.6
102.02692	0.5
102.59101	0.2
103.02806	0.3
103.54226	0.2
113.02382	0.8
119.03450	0.4
131.03412	0.3
149.04437	0.5
149.06079	0.2
151.04953	0.3
161.04581	0.3
179.05640	0.3
181.19368	0.2
221.04572	0.3
247.11975	0.4
248.12254	0.6
249.12506	0.7
250.12746	0.8
380.16666	0.6
381.16785	0.4
382.16956	2.3
442.18820	0.4
443.14594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.6
61.98713	2.6
68.47288	0.9
69.22838	0.9
70.80493	3.4
71.01288	1.6
78.58456	0.8
109.69891	1.0
113.02348	1.2
123.83281	0.9
142.92293	0.9
148.05298	1.0
149.05975	5.4
162.06805	1.5
175.07632	1.2
184.05261	1.6
189.05522	2.4
197.90184	0.9
211.03983	2.0
212.04771	7.3
213.05617	2.3
223.04114	1.6
225.05585	3.0
238.06284	1.1
239.07196	1.3
240.04243	2.0
248.04811	1.1
251.07294	1.2
253.04982	1.4
253.08720	2.5
289.08945	1.3
301.08749	3.9
315.07074	1.2
315.10318	2.3
317.08179	1.9
324.73169	1.0
329.11853	1.5
331.09827	1.4
333.07968	1.2
339.10391	2.3
341.08212	4.2
344.06845	1.6
345.07608	5.2
346.04974	3.6
346.11926	1.4
355.06094	1.0
355.09958	2.4
356.10526	3.0
357.11493	1.7
365.08215	2.3
367.09821	1.9
369.07651	6.9
370.08438	8.8
371.09140	1.3
373.07196	33.6
374.07501	2.9
374.11609	2.2
383.09183	7.7
383.13486	1.1
384.10016	9.0
385.10748	9.5
386.07480	1.4
387.08731	10.9
388.09308	1.5
395.09473	1.3
396.09354	0.9
399.28949	1.1
401.10565	4.5
402.11160	68.7
403.11441	8.0
410.11597	1.6
411.12781	1.3
413.10535	3.3
414.10919	1.9
415.15512	2.6
425.13983	3.3
428.12671	3.3
443.15118	100.0
443.28052	4.0
444.06247	1.1
444.15500	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	441.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73220	0.9
57.03336	10.1
59.01264	23.3
61.98714	1.2
69.03334	1.8
69.45145	7.6
71.01273	12.1
72.99197	1.7
73.02830	3.0
75.00729	1.2
79.33323	1.0
81.03371	2.5
83.01280	2.8
83.04889	1.7
85.02837	8.2
87.00735	2.2
89.02351	7.6
93.03371	1.1
93.30978	0.9
94.04088	1.3
95.01286	1.8
95.04919	3.5
97.02845	6.6
97.06474	2.0
99.00777	1.9
99.04413	1.6
101.02348	9.0
103.91448	1.0
107.04920	3.2
109.02866	7.5
109.05858	1.2
109.06487	7.0
111.04403	4.8
113.02354	8.2
119.03429	1.8
119.08577	2.9
121.06508	5.9
122.03661	14.1
123.04461	5.3
123.08088	1.0
124.05225	17.0
125.02401	1.5
125.06023	8.2
127.03970	1.2
131.03464	5.0
135.04427	3.7
137.06027	10.9
137.09607	1.3
138.03146	1.1
139.07578	100.0
140.07930	4.0
145.10153	1.1
147.08096	4.2
149.04407	1.3
149.06020	3.7
151.03938	3.9
153.05620	2.1
161.04498	2.7
163.07549	2.2
163.11278	1.7
168.07864	23.8
168.09230	1.7
169.08679	9.4
171.08109	3.1
175.11205	1.5
177.12852	1.4
179.05511	1.1
185.09656	1.1
187.11253	18.3
188.11589	1.1
189.09157	1.9
190.09952	4.6
205.12315	33.0
206.12666	2.0
213.14749	1.0
217.12373	1.5
229.12338	3.3
231.10219	3.5
235.13422	5.8
249.11301	7.8
249.13501	12.9
259.13239	1.0
261.11362	3.6
273.11490	4.8
279.12436	99.5
280.12726	6.2
291.12607	2.0
303.12460	8.3
321.13409	6.3
381.17783	18.3
382.18115	1.8
441.17978	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	441.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14649	0.6
54.93865	0.5
55.01765	3.5
57.03343	2.7
58.00471	1.0
59.01266	43.9
61.98690	0.8
67.83926	0.5
69.03328	0.8
69.48507	2.4
69.48938	2.1
71.01271	42.1
72.99181	2.4
73.02838	14.2
75.00754	1.0
75.12511	0.6
83.01285	8.1
85.02843	19.8
86.00003	1.1
87.00774	4.3
89.02342	10.9
95.01280	3.1
99.00778	8.2
101.02348	40.7
102.02621	0.9
109.02845	2.2
111.00784	1.0
113.02361	20.3
115.00306	0.6
119.03421	2.3
125.02376	2.1
129.01869	1.2
131.03432	2.5
135.04439	0.6
139.07573	2.9
143.03406	1.9
145.97234	0.7
149.05954	0.7
159.02946	3.8
161.04501	16.8
161.05855	0.9
163.07213	0.5
205.03470	0.9
205.12291	1.8
217.12352	0.9
249.13463	100.0
250.13820	5.4
261.11182	0.9
279.12430	1.6
281.13995	0.7
293.12555	0.8
381.17743	82.6
382.18124	6.3
397.18750	2.2
441.17838	6.7
442.17548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1776
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01748	1.8
56.80679	1.1
57.03328	2.6
58.00478	4.6
58.86181	1.1
59.01266	95.2
61.98709	1.8
69.54037	10.3
71.01270	57.5
72.99179	3.4
73.02831	4.4
75.00745	1.4
83.01268	4.6
85.02849	10.1
87.00757	4.3
89.02338	56.9
95.01263	2.2
95.71819	1.2
97.02856	1.5
99.00784	2.0
101.01711	2.4
101.02351	40.6
109.02870	10.2
113.02363	22.7
119.03423	23.3
121.06518	1.8
122.03642	1.5
123.05566	3.2
124.05248	2.6
125.02360	1.4
131.03415	2.2
133.06528	12.2
135.04427	1.3
135.08047	1.2
137.06017	2.0
138.49341	1.1
139.07587	14.0
143.03423	4.5
147.04472	22.1
149.04434	2.9
149.05994	2.3
161.04503	8.2
165.74895	1.1
167.69615	1.2
169.08630	3.3
179.05586	5.2
187.11133	1.4
199.72835	1.1
204.11478	1.4
205.12323	4.8
209.41064	1.2
217.12254	3.7
228.04379	1.4
235.13374	3.2
254.24333	1.3
280.13092	2.4
307.09555	1.3
308.83194	1.2
330.09348	1.5
330.13272	25.3
331.14041	16.2
397.18835	5.4
441.17719	100.0
442.18152	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	441.1777
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01775	2.8
57.03333	2.3
58.00487	5.7
59.01264	100.0
60.01593	1.1
61.98699	0.5
62.85629	0.5
67.01767	0.5
68.68344	0.5
68.99707	0.8
69.03342	14.1
69.40859	4.5
71.01270	83.8
72.01619	0.9
72.99194	6.7
73.02837	24.7
74.94128	0.5
75.00751	0.8
77.25060	0.5
81.03351	10.8
83.01280	9.8
83.04913	1.2
85.02842	29.6
86.03202	0.5
87.00766	4.5
87.04450	0.7
89.02336	35.6
90.02659	0.6
93.03362	0.6
95.01286	5.6
96.15448	0.5
97.02852	20.4
99.00767	4.5
99.04411	2.1
101.02345	43.6
102.02713	1.0
103.03914	34.1
104.04306	0.7
106.04143	1.3
107.01305	0.6
109.02862	1.6
109.81345	0.5
111.00806	0.7
113.02360	4.3
115.03969	0.6
119.02581	0.9
119.03413	16.8
123.04440	1.4
125.02367	71.9
126.01875	0.5
126.02708	2.2
127.03917	5.3
131.03445	4.0
131.04967	2.0
132.05730	4.7
133.06519	92.7
134.06851	4.1
137.02330	0.5
139.03938	5.6
143.03444	5.7
145.04999	8.7
161.04543	0.8
163.06073	19.8
164.06416	0.8
167.03416	2.2
167.06084	0.7
187.06017	1.4
205.07166	20.7
206.07579	0.6
209.07137	1.5
219.10356	0.5
229.07178	0.7
247.08258	9.7
248.08549	0.6
307.10394	20.5
308.10779	0.9
338.11578	0.9
382.10367	1.8
388.95004	0.7
438.07275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59005	0.2
54.44284	0.2
54.54259	0.2
55.01784	1.3
55.38720	0.2
57.03344	1.3
57.15726	0.2
58.00478	0.5
59.01265	13.9
61.98721	0.2
62.69941	0.2
64.24523	0.2
64.97198	0.2
69.03347	0.4
69.54163	1.5
71.01272	27.0
72.01597	0.3
72.99200	1.3
73.02838	8.0
75.00774	0.4
81.03357	0.3
83.01279	2.6
85.02845	13.0
85.99995	0.6
86.03165	0.3
87.00775	4.0
87.04424	1.2
89.02341	5.0
95.01276	1.5
96.95921	0.4
97.02859	0.9
99.00784	3.1
99.04396	0.4
101.02348	16.0
102.02696	0.3
103.03926	2.0
106.04150	0.4
113.02360	13.6
114.02705	0.4
115.03947	1.5
116.94157	0.2
119.03429	0.7
121.99840	0.2
123.04441	0.7
125.02371	0.6
127.03933	0.3
129.01970	0.2
131.03435	2.7
131.04974	0.8
132.05743	2.2
133.06522	100.0
134.06853	4.9
143.03432	5.6
144.03748	0.2
145.04996	0.5
159.02943	2.6
161.04506	28.3
162.04836	1.1
163.06058	1.5
205.03508	0.6
205.07161	4.7
206.07489	0.2
217.08769	0.3
295.11923	3.6
296.12457	0.3
307.10559	0.5
441.17786	16.8
442.18103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03388	0.9
57.03314	1.4
58.00477	1.1
59.01262	100.0
60.01596	1.7
61.98711	0.8
68.72340	0.9
69.24521	5.6
69.24945	2.8
71.01267	35.8
72.99180	2.6
73.02831	5.5
75.00743	0.8
77.52193	0.8
83.01273	2.3
85.02837	10.5
87.00776	2.5
87.11383	0.8
89.02332	36.7
92.65259	0.8
95.01276	2.2
99.00772	2.7
101.02345	24.8
109.02864	10.1
113.02350	13.2
118.73808	0.7
119.03425	10.4
119.76081	0.9
125.02322	1.4
131.03421	47.4
133.97047	0.8
143.03423	3.6
149.02568	1.0
149.04497	12.8
150.03139	3.1
161.04507	7.3
165.05507	3.1
179.05568	16.8
187.70134	0.9
191.05623	7.5
195.06601	6.7
221.06679	0.9
247.11890	37.4
248.12332	2.0
293.08685	1.8
379.16150	29.6
380.16434	2.9
403.12573	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	6.9
59.01263	100.0
61.98706	9.1
69.46923	7.9
69.47331	24.9
71.01273	17.7
73.02840	5.5
83.04936	6.0
85.02848	11.1
89.02362	10.9
96.95916	21.5
97.06494	6.1
101.02347	11.7
111.08066	9.7
113.02338	5.4
117.44832	4.8
165.12791	70.8
185.32460	4.0
197.02199	6.5
197.15462	55.6
209.11780	5.6
209.18843	3.9
223.31284	3.7
235.17021	20.1
241.14429	65.6
280.83948	4.7
379.21097	9.6
397.22421	21.0
439.17969	6.9
439.23376	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	439.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	7.1
59.01263	100.0
69.54198	7.3
69.54610	19.7
71.01263	24.0
73.02798	5.4
83.01273	5.8
85.02834	9.2
85.06795	3.0
89.02330	10.8
90.57365	3.7
93.63177	3.3
96.95881	7.3
98.19848	8.0
99.17937	3.2
101.02332	13.8
111.08051	5.2
113.02338	8.9
119.03376	5.5
125.02403	3.6
130.91638	2.9
161.04414	4.3
165.12791	47.8
197.00276	3.2
197.02200	6.3
209.11946	5.1
227.12912	9.6
247.11922	3.7
276.73022	3.7
305.19766	4.7
306.20111	6.6
307.20227	14.8
397.22342	6.4
439.23907	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	439.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69131	0.4
70.09541	0.4
71.57897	0.8
73.48888	0.3
78.95796	9.1
79.95629	1.3
83.61380	0.4
96.95915	100.0
96.96843	26.0
98.95506	0.5
109.85586	0.4
142.12329	0.4
155.28552	0.4
160.81862	0.4
189.45140	0.4
244.01834	0.5
262.71753	0.4
413.91763	0.5
439.08951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31944	0.6
55.01765	0.8
57.03326	0.6
59.01268	53.9
60.58292	0.7
61.98713	2.0
67.01797	0.8
69.32042	2.0
69.32457	5.3
71.00900	1.4
71.01270	19.4
72.99195	1.5
73.02840	3.6
75.00774	1.4
83.01282	1.6
85.02841	5.6
87.00780	1.7
89.02339	22.3
93.03344	1.5
95.01289	1.4
96.95879	1.1
98.20667	0.8
99.00780	1.2
101.02349	14.7
108.02068	0.8
109.02872	4.1
113.02348	6.7
119.03420	6.6
121.02882	2.7
122.03645	6.5
131.03426	20.7
132.03752	1.2
133.02853	0.9
137.02377	3.8
139.03931	0.8
143.03412	1.5
149.02388	22.0
149.04451	6.9
150.03171	53.4
151.03848	1.9
159.02995	0.8
161.04466	4.8
164.04744	5.5
165.01892	26.6
165.05530	64.4
166.05858	3.1
176.72581	0.7
179.03406	0.6
179.05592	6.3
180.04262	24.8
181.04764	2.4
191.05621	4.3
195.06612	100.0
196.06960	4.2
243.08667	3.3
247.11885	13.7
247.14330	1.0
259.68451	0.7
301.07278	2.0
316.09525	1.7
331.12012	8.2
371.43530	0.8
379.16199	16.3
380.16672	1.6
391.14127	15.3
392.14407	1.7
439.16455	5.2
440.17929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2047
Annotation	Gymnastatin E
Peak:m/z	Relative Intensity
53.86527	0.4
57.14818	0.4
59.01263	12.5
60.01590	0.6
61.98712	6.7
69.41205	1.6
69.41624	1.8
71.01254	1.8
72.01582	0.6
73.02824	1.7
78.63220	0.4
85.02815	0.8
89.02347	0.8
101.02352	1.6
102.02688	0.4
105.03426	0.5
113.02311	0.4
118.05772	0.7
118.06545	6.2
122.06024	0.8
123.06818	10.6
124.07594	0.7
132.04503	0.6
137.09613	1.6
138.10043	0.9
146.06049	26.9
147.06442	1.3
150.05547	0.7
163.11157	1.2
164.11528	0.9
168.06569	0.6
171.84953	0.5
179.05783	1.0
189.12839	0.4
190.07425	0.7
190.13197	1.0
212.10834	2.8
220.00194	0.4
225.05614	1.9
226.07416	1.7
226.12343	1.0
227.08264	16.1
227.11552	2.1
228.08600	1.2
233.15472	0.5
234.15819	0.7
240.08972	1.0
241.09689	16.9
242.10591	4.8
247.78087	0.4
254.10623	0.8
255.11409	14.7
256.11768	1.5
269.12982	6.4
270.13785	10.9
271.14310	1.2
280.19376	0.5
295.11026	0.8
302.12787	10.1
303.13226	0.9
314.12766	3.0
350.15182	0.8
378.18567	0.5
394.21408	13.7
395.21786	1.7
403.14102	2.0
420.19418	1.9
438.20413	100.0
439.20724	13.7
439.25708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.9
57.03331	2.7
58.00456	4.2
59.01261	97.0
61.98709	2.5
69.71971	10.0
69.72372	4.4
71.01266	68.0
72.99200	7.3
73.02837	16.8
75.00763	5.9
76.19533	2.0
83.01276	9.8
83.04409	4.6
83.04911	94.8
84.05215	2.4
85.02834	26.5
86.03157	2.3
87.00774	8.8
88.98659	2.6
89.02338	35.2
95.01274	3.9
95.04939	5.7
97.06458	3.8
99.00786	15.1
101.02338	56.0
107.04949	5.3
113.02364	15.8
115.10954	2.3
119.03419	21.7
121.06503	4.6
123.04446	12.7
125.02317	3.1
125.05997	6.6
131.03392	7.9
139.07486	2.3
143.72816	2.2
149.04512	7.5
149.05943	10.5
150.03156	2.2
159.71211	2.1
161.04480	7.4
165.05690	2.1
166.02629	2.3
167.07083	12.3
191.05553	7.3
195.06601	2.8
205.03532	2.4
245.10315	67.2
246.10580	4.6
303.09964	5.0
377.14545	100.0
378.14804	9.7
437.16092	16.9
460.98474	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	438.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86527	0.4
57.14818	0.4
59.01263	12.5
60.01590	0.6
61.98712	6.7
69.41205	1.6
69.41624	1.8
71.01254	1.8
72.01582	0.6
73.02824	1.7
78.63220	0.4
85.02815	0.8
89.02347	0.8
101.02352	1.6
102.02688	0.4
105.03426	0.5
113.02311	0.4
118.05772	0.7
118.06545	6.2
122.06024	0.8
123.06818	10.6
124.07594	0.7
132.04503	0.6
137.09613	1.6
138.10043	0.9
146.06049	26.9
147.06442	1.3
150.05547	0.7
163.11157	1.2
164.11528	0.9
168.06569	0.6
171.84953	0.5
179.05783	1.0
189.12839	0.4
190.07425	0.7
190.13197	1.0
212.10834	2.8
220.00194	0.4
225.05614	1.9
226.07416	1.7
226.12343	1.0
227.08264	16.1
227.11552	2.1
228.08600	1.2
233.15472	0.5
234.15819	0.7
240.08972	1.0
241.09689	16.9
242.10591	4.8
247.78087	0.4
254.10623	0.8
255.11409	14.7
256.11768	1.5
269.12982	6.4
270.13785	10.9
271.14310	1.2
280.19376	0.5
295.11026	0.8
302.12787	10.1
303.13226	0.9
314.12766	3.0
350.15182	0.8
378.18567	0.5
394.21408	13.7
395.21786	1.7
403.14102	2.0
420.19418	1.9
438.20413	100.0
439.20724	13.7
439.25708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36732	3.2
57.03333	3.4
59.00995	5.5
59.01270	52.7
71.01273	15.4
73.02822	4.0
75.00775	5.8
83.01283	5.2
85.02851	10.3
89.02319	6.8
93.03362	7.0
95.01307	4.5
97.02869	7.4
98.19820	11.2
99.00762	5.4
100.27802	3.8
101.02325	5.6
101.05993	5.9
103.03899	3.2
103.87270	3.7
108.02074	6.2
108.04462	5.5
109.02883	21.2
111.00784	4.6
113.02364	9.9
115.00291	5.4
115.90065	3.4
119.04961	5.0
121.02880	8.3
122.03678	7.6
123.00753	7.0
123.04465	13.7
124.01561	10.2
124.07607	19.2
125.02377	20.8
134.03648	23.6
135.04489	5.0
136.01547	9.4
136.07614	56.7
137.02368	37.5
138.03137	6.5
145.02885	8.6
146.03693	8.4
147.04459	32.6
149.02438	11.4
149.06004	11.6
150.03186	6.1
150.66602	3.5
151.03967	11.4
152.01129	6.2
153.01857	22.6
157.43095	3.3
158.03633	3.6
159.04471	15.5
161.02385	9.8
161.06053	7.5
162.03159	4.6
162.06825	5.0
163.04010	12.9
164.01077	5.0
164.04698	15.0
165.01912	26.6
167.03471	10.8
168.06635	32.3
173.06100	6.4
175.03839	8.3
175.07602	4.2
176.01277	3.2
178.02695	11.6
179.03456	7.4
180.06619	8.6
185.06114	4.7
187.03978	5.9
187.13371	21.4
189.05589	5.6
190.02679	17.4
192.04279	36.2
193.05048	64.8
201.05606	7.6
202.06389	3.5
203.07074	3.5
205.05009	6.0
206.02246	5.7
211.07594	5.5
214.06259	5.6
225.05675	4.8
227.07103	7.0
229.08702	4.3
231.06709	7.2
238.06194	6.3
239.07147	10.8
240.07909	11.5
243.06583	4.0
245.04741	4.1
245.08118	4.2
247.06313	8.7
249.05911	4.7
255.10544	3.9
266.05908	6.2
267.06662	9.3
268.07455	10.1
271.06107	4.1
273.04135	10.5
273.07629	4.9
281.08243	10.1
283.06335	5.3
283.09775	19.5
284.07025	8.2
284.10324	4.9
289.07291	8.9
297.11453	5.7
298.12189	5.8
299.09387	24.8
300.10068	9.3
305.15237	26.1
313.07224	4.4
313.11008	5.1
316.09436	6.7
317.10211	5.5
387.10934	41.1
393.13528	5.7
403.10498	8.2
437.12286	100.0
437.20026	31.6
438.12625	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	437.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	3.2
59.01269	7.0
61.98701	2.7
63.02289	6.5
64.33804	1.2
65.00212	3.6
69.30478	12.0
69.30891	2.8
70.02511	1.2
71.01281	1.7
83.01278	5.1
91.01769	1.3
93.49645	1.2
96.95917	2.4
107.01299	10.0
121.02829	2.1
125.02367	9.4
128.63992	1.4
151.00308	36.4
169.01392	10.7
176.01004	1.5
178.99829	100.0
180.00156	5.0
193.82886	1.3
201.05440	1.4
201.09222	1.5
213.05536	3.1
229.08818	6.8
231.06610	6.5
239.07152	8.3
257.08270	11.4
283.06100	4.4
311.05692	6.9
348.22867	1.7
401.06744	1.6
409.09393	1.8
437.08780	4.3
437.14462	1.5
437.28714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.7
61.98716	100.0
69.49083	2.8
74.91489	0.3
96.95914	0.7
110.72622	0.4
137.48964	0.5
159.02719	0.4
229.01389	0.4
310.58411	0.4
342.75848	0.4
460.10342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79336	0.5
59.01265	28.1
59.60376	0.6
60.01596	3.8
61.01681	5.0
61.98716	100.0
69.39699	1.1
69.40102	4.2
71.01285	2.2
72.67774	0.5
78.14754	0.5
85.02837	1.5
101.02391	1.0
105.97646	0.5
109.02921	0.6
113.02380	1.2
113.21152	0.6
118.04200	0.6
125.02404	0.9
134.03671	0.9
137.02394	1.2
147.04497	1.0
159.04422	0.6
161.04510	0.6
165.01849	1.0
177.56868	0.5
190.02669	0.7
192.04218	0.9
193.05040	1.6
249.06134	0.5
309.07809	0.6
359.01663	0.7
369.18350	0.6
376.23492	1.0
387.11505	0.6
437.12064	2.5
437.24167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01264	100.0
60.01606	1.1
60.01872	0.2
61.01686	0.3
61.98729	0.7
65.33855	0.2
70.97936	0.5
71.01267	2.9
72.99220	0.2
73.02828	1.1
75.00749	0.2
78.94502	0.2
83.01290	0.6
85.02844	1.4
89.02356	1.1
95.01299	0.2
99.00787	1.1
101.02347	2.6
101.75888	0.2
107.22584	0.2
111.01952	0.2
113.02377	1.2
119.03443	0.3
131.03368	0.2
134.03622	1.3
149.02429	0.8
149.04515	0.4
149.06100	0.5
150.40666	0.3
151.03958	2.2
159.02962	0.4
161.04501	1.8
164.04770	0.8
165.01624	0.3
166.02660	0.5
166.40399	0.2
178.54196	0.2
179.07132	1.0
181.05034	0.5
182.82349	0.2
191.05598	0.3
193.05107	0.9
196.81346	0.2
232.25450	0.2
273.07684	1.0
333.19159	0.2
375.23929	3.9
376.24490	0.3
419.23477	0.4
423.13535	0.2
434.38928	0.2
435.13034	0.4
435.22665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
57.03360	0.2
59.01264	100.0
60.01595	1.6
61.01681	0.2
61.98731	0.3
62.14554	0.2
64.99908	0.2
71.01264	4.4
71.89883	0.2
72.99186	0.3
73.02837	1.2
75.00773	0.3
83.01270	0.9
85.02840	2.1
87.00792	0.4
87.04375	0.2
89.02332	1.1
93.03363	0.2
95.01300	0.3
96.20552	0.2
96.95944	0.2
97.02898	0.2
98.20572	0.4
99.00797	0.5
101.02344	3.6
107.01282	0.2
113.02335	1.6
119.03441	0.4
119.04928	0.4
125.02419	0.4
129.09143	0.3
137.02324	0.2
143.03426	0.2
151.00354	0.7
151.04019	0.2
152.00755	0.2
159.02959	0.3
161.04482	2.0
175.57486	0.2
192.04263	0.2
255.16107	0.3
257.45184	0.2
271.06342	0.5
272.06610	0.6
273.06790	1.2
273.17038	0.2
375.19263	0.3
375.23947	6.5
376.24521	0.5
419.22916	1.1
435.21747	1.3
435.30130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2244
Annotation	HC Toxin
Peak:m/z	Relative Intensity
51.67065	0.5
55.01777	1.6
57.03334	1.5
58.00485	4.5
59.01266	100.0
60.01595	1.0
60.99188	0.7
61.98716	2.1
66.64036	0.4
69.76144	0.5
71.01272	49.1
71.03285	0.8
71.03633	0.9
71.04910	0.7
72.01627	0.7
72.99198	3.9
73.02847	1.8
81.03359	3.9
83.01294	5.0
84.02081	0.7
85.02848	9.6
87.00777	3.2
87.04416	1.3
89.02341	55.4
90.02694	1.0
95.01288	4.0
97.02878	1.2
99.00800	1.1
99.04433	5.2
101.02350	38.3
102.02703	0.7
113.02354	19.5
114.02709	0.7
115.03927	5.0
119.03426	33.0
120.03795	0.9
125.02426	0.8
131.03432	2.4
139.11209	0.7
143.03427	5.6
149.04506	2.3
149.06049	0.5
151.11180	0.6
159.04486	0.5
161.04523	4.7
163.11267	1.3
169.12321	1.0
175.14847	2.4
179.05573	9.9
180.79295	0.5
181.12325	1.4
193.15962	18.2
194.16319	1.2
209.15485	0.7
237.14984	6.0
238.15306	0.5
255.16093	5.9
271.02469	1.0
273.17163	1.1
303.18158	1.1
394.06958	1.6
417.21542	0.7
435.22443	66.6
436.22824	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	435.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56831	3.7
57.03341	4.6
59.01263	100.0
61.98715	11.6
71.01263	49.3
71.59866	6.4
72.99207	18.0
73.02845	8.6
75.00771	15.7
85.02847	14.7
87.00754	26.2
89.02344	40.4
89.72895	3.2
92.22432	4.1
93.03333	6.0
99.00785	5.3
101.02319	30.8
101.53127	3.7
109.02890	9.6
111.08072	4.1
113.02361	16.1
116.77502	3.7
119.03416	10.9
123.04423	10.5
124.64551	4.0
131.03424	7.5
137.02321	5.8
141.09067	4.8
149.02493	5.1
149.04518	7.5
151.03929	5.6
153.05476	8.0
161.04538	9.4
165.05547	4.9
166.02626	7.6
167.03456	4.4
179.05589	7.5
181.05040	5.2
190.02679	4.5
191.03484	9.9
195.02945	4.9
208.80869	4.5
209.04504	4.9
213.11337	4.6
243.06621	11.9
245.07349	6.2
253.40746	4.3
255.06650	10.7
255.09042	5.1
267.07254	4.6
273.07706	12.9
297.07361	4.1
303.14548	7.3
315.08817	24.3
345.10004	8.0
389.21887	14.7
435.13474	7.6
435.22424	17.6
436.18588	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2245
Annotation	HC Toxin
Peak:m/z	Relative Intensity
54.16866	0.5
55.01767	5.3
55.66555	0.5
57.03346	6.0
58.00489	2.9
59.01266	75.2
60.01609	1.2
60.77221	0.5
61.98706	0.5
68.99713	0.8
69.03352	2.0
69.33640	1.4
69.34053	4.4
71.01272	100.0
71.04913	1.1
72.01613	2.1
72.99197	5.8
73.02837	36.0
74.03175	0.8
75.00765	4.1
75.77525	0.6
81.03358	1.2
83.01277	12.1
84.02068	0.9
85.02844	50.1
86.00010	0.9
86.03201	0.8
87.00766	9.1
87.04430	1.3
89.02341	13.5
91.49041	0.5
95.01290	7.9
97.02860	3.5
99.00787	15.1
99.04413	1.2
100.04006	0.5
101.02348	63.7
102.02671	1.4
103.03921	6.2
109.02882	1.7
111.00811	2.0
112.01566	0.7
113.02361	37.7
114.02675	1.0
115.03919	1.5
119.03423	4.4
122.03656	1.6
123.04437	1.3
125.02367	4.7
125.09638	1.0
127.03901	0.9
127.11230	2.8
129.01855	2.3
131.03368	2.6
136.17397	0.5
137.67314	0.5
139.00278	0.6
141.09053	0.6
143.03441	5.7
145.04993	1.7
148.72127	0.5
151.03955	0.8
159.02943	8.2
159.04456	2.8
161.04503	43.6
162.04910	1.4
163.06079	3.1
185.06050	0.6
199.04044	1.0
199.13396	3.6
201.01918	1.4
205.03574	1.8
205.07066	2.5
213.14972	2.1
214.02718	0.6
214.15286	2.0
215.03510	2.2
229.01384	1.1
229.05051	1.2
237.06181	0.7
242.02205	1.1
243.02972	7.5
244.03726	1.6
253.05113	0.5
267.06824	0.6
270.01733	0.6
271.02539	13.1
271.15567	0.7
272.02728	0.8
273.07825	1.3
273.11288	0.6
289.16644	69.6
290.16995	5.7
303.18204	2.0
314.19623	0.9
315.20102	3.5
331.17685	0.8
333.15778	0.7
391.11975	0.9
394.07010	14.6
395.07306	1.9
415.88312	0.6
417.09961	0.9
435.10669	3.1
435.22473	75.0
436.22775	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	435.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.2
57.03334	0.5
59.01266	100.0
60.01598	1.1
60.01857	0.2
61.01703	0.3
61.98716	0.7
69.03342	0.2
70.95873	0.2
70.96201	0.3
71.01270	2.9
72.99200	0.4
73.02850	0.8
75.00759	1.4
81.03372	0.2
83.01289	0.5
85.02840	2.3
87.00795	0.8
87.04444	0.2
89.02332	1.0
89.04179	0.2
95.01301	0.5
99.00801	0.9
101.02353	1.4
113.02361	2.5
114.02664	0.2
115.00306	0.2
117.01864	0.4
120.04969	0.2
123.04460	0.4
124.05492	0.2
141.09218	0.2
161.04538	0.8
167.03476	0.4
175.02428	0.2
185.11789	1.1
213.11043	0.2
249.06189	5.5
250.06683	0.2
267.07333	0.7
271.02307	0.2
273.07779	0.3
273.12451	0.6
298.54163	0.2
309.08334	1.5
315.18167	0.2
333.19370	0.3
375.20099	0.3
375.24100	1.7
393.25180	0.2
417.17978	0.4
419.23206	0.2
435.18631	5.5
436.18811	0.9
444.87842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01266	100.0
59.13070	0.1
60.01600	1.5
61.01703	0.3
61.98719	1.7
69.29722	0.8
69.30153	0.7
71.01270	1.8
72.99194	0.2
73.02851	0.4
75.00800	0.2
83.01289	0.3
84.02049	0.1
85.02841	0.7
87.00778	0.2
89.02340	0.9
101.02347	1.0
109.02885	0.1
113.02354	0.9
114.79945	0.1
119.03434	0.3
125.02417	0.2
134.03648	0.2
139.19287	0.1
143.03525	0.2
150.54327	0.1
161.04555	0.3
179.05611	0.2
239.21848	0.1
240.98244	0.1
241.07312	0.3
243.03020	0.1
255.16032	0.2
271.02505	0.2
271.09988	0.1
273.12646	0.4
273.17377	0.2
315.18201	0.3
333.19452	0.6
375.20117	0.8
393.25363	0.2
394.06812	0.2
394.41870	0.1
435.12717	0.3
435.22287	0.7
446.88892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
56.01143	0.5
57.03332	1.0
59.01263	76.9
60.01603	1.2
61.98716	37.8
62.98418	1.0
63.99136	0.8
65.55139	0.6
65.55448	0.5
69.35820	0.5
69.66627	1.9
69.67056	2.0
71.01273	8.9
73.02844	2.9
75.00751	0.8
80.20306	0.6
83.01218	0.7
85.02848	4.4
86.30562	0.6
87.00777	1.5
87.04420	1.2
89.02345	2.6
101.02356	4.9
103.03920	3.3
104.29002	0.6
109.69823	0.6
113.02345	5.2
116.24342	0.8
119.03432	1.6
131.03360	0.5
143.03381	1.0
161.04526	3.8
163.05911	0.6
165.12695	0.6
183.13872	7.5
195.13885	7.3
213.14951	100.0
214.15286	6.5
237.15135	0.6
255.16039	1.1
269.07727	0.8
271.02701	0.5
284.10065	1.1
289.16571	0.9
303.18106	4.6
314.34094	0.7
314.96326	0.6
333.19189	1.2
415.78702	0.6
426.18213	0.5
435.22321	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	435.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	1.9
58.00491	2.1
59.01266	4.4
69.78107	4.6
69.78542	6.1
71.01265	4.3
73.02846	1.8
75.00771	1.7
85.02850	13.6
87.00782	3.3
96.95887	2.0
101.02361	1.5
117.24661	1.6
129.01813	1.5
137.02393	1.8
143.32539	1.4
145.02914	3.5
147.02881	2.1
149.02370	21.6
150.03185	34.6
156.29936	1.5
161.02371	2.9
161.04491	5.7
162.03154	2.8
164.04750	16.8
165.05534	100.0
166.05843	5.1
177.05568	2.2
180.04298	4.1
191.01952	4.0
195.06619	33.1
196.06911	3.4
209.03030	4.9
218.01212	1.5
327.10925	29.0
328.11435	2.7
396.34897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03335	3.1
58.00504	0.7
59.01264	30.9
60.01601	0.5
60.11671	0.4
67.01784	0.6
68.99720	0.9
69.03341	1.7
70.89910	1.2
71.01270	13.0
71.04901	0.7
72.99203	3.7
73.02841	1.8
75.00761	12.4
83.01293	0.7
85.02838	14.1
87.00777	5.0
88.86786	0.4
89.02323	3.4
91.03860	0.4
93.03360	0.8
95.01299	3.9
97.06484	0.7
99.00783	6.8
99.04428	0.7
101.02351	2.6
101.89304	0.5
103.00287	1.0
113.01556	0.7
113.02357	13.5
113.09639	3.6
115.00278	1.4
115.07562	1.5
116.91797	0.5
117.01839	1.9
123.04422	0.5
125.09638	1.4
129.01839	1.8
140.69801	0.5
147.02917	1.6
157.01433	0.5
157.08575	0.8
165.03983	1.3
167.10764	0.7
175.02429	1.8
185.11792	64.1
186.12138	3.1
189.04080	0.5
207.13863	0.9
209.11797	1.4
225.14946	1.1
227.12903	7.8
231.04968	1.0
249.06177	14.5
250.06647	0.8
267.07269	1.6
269.14035	1.4
287.15063	21.8
288.15338	1.3
375.16525	0.6
415.87094	0.5
417.17770	2.4
435.18704	100.0
436.19110	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1458
Annotation	Ugonin M
Peak:m/z	Relative Intensity
53.86199	0.4
59.01266	5.1
61.98709	1.7
66.31959	0.3
69.97411	2.1
71.01271	0.8
73.02805	0.4
87.00774	0.4
96.95909	0.5
96.99155	0.4
98.19865	0.4
101.02368	0.7
122.33979	0.4
135.04463	0.6
137.02464	0.5
142.15483	0.4
149.02377	0.8
149.06071	0.7
153.73204	0.4
164.66568	0.3
180.49878	0.4
188.04778	0.5
189.05359	0.4
201.05600	2.7
201.09132	0.7
211.07623	0.6
212.04811	0.6
213.05571	1.1
214.06325	1.6
215.06993	0.6
227.07082	2.4
228.08014	0.5
229.08711	33.7
230.09090	2.6
241.08710	0.6
246.05302	0.3
253.05208	0.5
255.02832	0.9
259.07059	0.7
259.09805	13.3
260.10196	1.4
279.06741	0.6
281.04776	0.7
281.83359	0.4
282.05408	0.7
289.05429	0.6
291.10449	1.8
293.08273	1.3
301.08643	0.9
302.09570	0.5
303.06665	1.2
303.10028	0.6
305.04819	0.5
305.08307	0.4
307.06122	0.8
307.09607	0.4
315.10510	0.6
317.04803	0.6
317.08261	1.6
318.08890	0.4
319.06180	0.5
319.09814	11.8
320.10526	7.8
321.07654	0.7
321.11099	1.2
323.10938	0.9
327.10568	0.8
329.08286	0.5
331.06158	0.9
331.09857	0.9
332.10626	1.6
333.04056	0.7
333.07611	0.4
334.08405	0.6
335.09540	0.5
336.09955	0.4
337.10880	17.3
338.11218	1.9
341.11963	0.7
343.09732	1.2
344.10495	2.5
345.07599	0.7
345.11258	0.9
346.08649	0.9
347.09393	1.1
348.06668	0.4
349.07126	2.0
351.10260	0.9
353.12000	0.7
355.13531	1.3
357.11499	1.0
358.12341	0.9
359.13336	0.5
361.07590	0.6
362.08133	0.5
367.09570	0.6
369.11423	1.6
371.09265	0.6
372.10059	1.0
373.10709	0.7
373.14575	2.2
375.08841	0.7
376.09570	0.6
377.13983	0.6
382.11911	0.5
387.12311	0.5
389.10306	3.3
390.11227	0.7
399.12564	3.5
405.13489	1.8
417.13596	2.6
435.14624	100.0
436.14954	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99344	0.5
53.54924	0.5
57.03313	1.1
57.18141	0.6
59.01265	36.1
60.01589	0.6
61.98690	0.7
69.03318	0.8
71.00966	0.6
71.01275	6.9
71.09832	1.3
72.99181	0.6
73.02827	1.9
75.00710	0.6
79.08501	0.5
83.01272	2.4
85.02850	4.2
87.00751	2.1
88.39652	0.6
89.02332	3.5
93.03342	1.1
95.01285	1.3
96.95923	0.7
97.02836	1.1
101.02349	4.1
108.02077	0.7
109.02871	4.4
111.00754	0.6
111.77285	0.5
113.02364	3.7
119.03414	0.6
121.02855	1.5
122.03667	11.9
123.00784	0.6
123.04472	5.5
124.01573	2.5
125.02372	3.0
131.03447	0.9
131.04884	0.8
133.02895	0.6
135.04475	1.2
136.01619	0.7
137.02385	5.2
139.03897	1.2
141.09163	1.6
143.04953	1.0
146.03665	0.9
147.04408	0.7
149.02365	2.5
150.03166	1.3
151.03976	4.1
153.01920	0.5
154.02625	2.8
157.02881	1.8
159.04465	15.3
161.02412	5.8
161.04497	2.2
161.06027	3.2
162.03099	1.2
163.03955	0.8
171.04480	1.5
173.02357	0.7
174.03160	2.2
175.03976	2.4
177.01889	0.6
183.04514	2.8
185.06035	4.0
186.03186	0.9
187.03998	4.5
188.04773	3.2
189.05478	0.7
190.02664	0.7
191.03458	0.6
197.05930	1.0
198.03264	1.3
199.04007	4.3
200.04588	1.2
201.01920	10.5
201.05553	1.9
202.02449	1.2
203.03502	0.9
203.07094	1.5
205.05040	2.5
205.08604	0.9
209.06035	1.0
211.04030	2.6
211.07680	0.6
212.04742	0.9
213.02025	2.5
213.05539	1.1
214.02693	5.7
215.03490	15.1
216.04146	1.7
223.07657	1.4
224.04738	0.6
225.05560	2.4
226.02763	1.1
227.03490	3.5
227.07025	1.1
229.01453	9.6
229.05000	6.2
230.02144	2.9
231.03021	2.8
239.07196	1.1
241.01439	1.6
241.05142	0.9
241.08759	0.7
242.02225	8.2
243.03017	47.9
244.03723	11.4
245.04462	1.4
246.01782	1.5
247.06233	1.8
249.05632	1.0
255.02979	0.9
255.06708	2.6
257.04636	1.1
265.05017	0.7
267.06790	2.9
269.04590	1.8
270.01779	5.4
270.05304	1.7
271.02542	89.8
272.02963	6.8
273.07745	7.2
275.05692	2.0
283.06238	6.5
284.06647	1.5
285.04099	2.3
285.07657	1.5
303.18210	2.9
307.06076	0.8
311.05713	0.8
312.06161	0.8
313.07281	1.7
325.07452	0.9
367.12125	0.8
391.12036	6.9
392.12448	1.0
393.24866	1.0
394.07016	100.0
395.07413	11.7
399.08554	1.4
417.09872	4.3
435.11011	18.0
435.17056	1.3
435.21838	3.4
436.11270	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	435.1459
Annotation	Gnetofuran A
Peak:m/z	Relative Intensity
54.41602	0.7
55.39761	0.7
57.03369	0.7
59.01265	10.5
61.98715	8.7
71.01260	1.0
71.59973	1.3
73.02834	1.1
85.02842	0.7
95.05994	0.7
99.00777	4.6
101.01089	0.7
101.02405	0.9
117.74684	0.7
135.04509	0.8
146.03708	1.4
149.05945	1.6
157.08496	0.7
159.04460	6.9
161.02361	0.8
175.03996	0.8
185.06082	2.4
187.07570	1.2
188.04762	1.5
189.05449	0.8
201.05527	4.5
211.04102	1.4
213.05551	5.4
214.06297	3.1
215.07161	4.1
227.07182	1.5
229.05127	1.5
229.08710	35.8
230.09142	3.0
231.06654	1.3
239.07149	0.8
241.08904	0.9
249.05586	0.9
251.07191	1.1
259.09790	14.2
259.12381	0.9
266.05902	0.9
273.09454	0.7
275.07269	2.2
276.07932	1.1
277.05185	1.9
279.06772	1.5
280.07324	1.0
287.07434	0.9
288.04269	1.1
289.05219	3.3
290.05844	1.2
291.07111	1.1
291.10175	4.0
293.05307	1.0
293.08182	4.9
301.05261	1.7
301.08810	1.2
302.05972	1.4
302.09274	1.1
303.06729	4.3
304.07556	2.8
305.04709	3.2
305.08350	2.5
306.09042	0.9
307.06168	2.0
307.09738	1.5
315.06790	1.9
316.03931	5.1
316.07266	1.1
317.04645	7.5
317.08362	3.1
318.04907	1.0
319.06235	3.6
319.09781	24.9
320.10416	10.1
321.07825	1.3
327.07016	0.9
327.10315	4.0
329.08344	3.3
330.05472	2.0
330.09003	2.5
331.06244	6.0
331.09964	2.1
332.06958	13.0
332.10574	1.8
333.04163	1.4
333.07672	3.6
334.08487	1.1
335.05768	1.3
335.09335	17.6
336.09848	3.2
337.10910	43.1
338.11298	5.3
339.06552	1.0
343.06296	1.0
343.09879	1.7
344.06915	1.8
344.10727	1.7
345.07721	1.6
345.11487	3.6
347.05670	1.4
347.09402	1.8
348.06506	1.1
349.07245	4.8
350.07928	3.6
351.10333	0.9
353.08017	1.1
353.12061	1.1
354.09204	2.5
355.09821	6.0
355.13702	1.4
356.10370	1.1
356.14819	0.8
357.07709	14.3
358.08435	4.8
363.12637	1.1
369.11191	1.7
371.09369	1.2
372.10150	1.4
373.10849	30.2
373.26144	1.1
374.11261	4.0
375.08868	1.6
376.09741	1.1
382.12234	1.1
389.10388	3.0
391.11975	68.8
392.12372	9.5
393.10013	1.4
399.12338	3.8
405.13751	1.6
417.09576	1.1
417.14221	0.9
435.14746	100.0
436.15085	14.7
445.69653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1096
Annotation	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Peak:m/z	Relative Intensity
55.01751	1.0
57.03323	0.9
57.75536	0.6
59.01266	29.3
61.46858	0.5
69.03354	1.4
70.64691	0.7
70.65038	1.7
71.01271	13.4
72.99216	0.7
73.02829	2.8
75.00781	1.0
80.08659	0.6
83.01279	2.6
85.02839	2.9
87.00757	1.5
89.02339	10.6
97.02884	1.5
99.00783	1.3
101.02357	7.6
109.02869	4.3
113.02348	4.2
119.03470	0.7
121.02874	1.7
122.03665	13.7
123.00860	1.0
123.04456	5.4
124.01565	1.9
124.04720	0.6
125.02374	5.1
131.03418	3.0
131.04938	0.9
135.04420	1.2
137.02374	3.8
137.09711	0.8
139.03967	1.2
141.09148	17.7
141.10255	1.0
142.09480	1.1
143.03447	0.8
144.91550	0.6
145.02892	0.8
146.03600	1.1
147.04457	0.8
149.02380	1.7
149.04491	3.0
150.03146	2.3
151.03979	4.3
154.02655	2.5
157.02869	1.6
158.03610	1.1
159.04463	12.5
160.05037	0.8
161.02393	5.1
161.04521	1.9
161.06039	2.8
162.03151	1.3
171.04439	1.6
172.05099	0.6
173.02394	1.1
174.03186	1.4
175.03935	1.7
177.05502	1.1
183.04491	2.4
185.06033	3.9
186.03244	0.9
187.03978	4.0
188.04788	3.8
189.05518	1.0
191.05579	1.7
197.05974	1.2
198.03368	0.7
199.04021	5.8
200.04567	1.1
201.01910	9.9
201.05545	1.6
202.02464	1.0
203.03403	0.8
203.07108	1.4
205.05147	1.8
205.08727	1.1
209.06052	1.6
211.03969	1.7
212.04678	1.0
213.01910	2.3
213.05600	1.0
214.02744	5.7
215.03476	13.6
216.04137	2.1
224.04918	0.7
225.05560	2.4
226.02773	1.0
227.03519	2.7
227.07162	1.0
229.01520	7.7
229.05017	6.7
230.02217	2.9
231.03015	1.6
233.06671	1.1
239.07295	1.6
241.01433	1.5
241.05116	1.1
241.08720	1.1
242.02225	10.6
243.03018	48.8
244.03654	9.9
245.04361	1.1
246.01723	2.2
247.06108	1.7
253.04984	0.9
255.06641	2.5
267.06693	2.5
269.01434	0.6
269.04642	1.6
270.01776	4.4
270.05222	1.0
271.02545	89.5
272.02866	7.8
273.07755	8.3
275.05667	2.4
283.06177	7.8
284.06744	1.6
285.04214	1.5
293.08881	2.0
295.05975	0.6
303.18100	4.5
311.05750	1.3
313.07272	1.7
325.07306	1.0
371.28271	0.7
375.23944	0.7
391.11963	8.2
392.12357	0.8
394.07022	100.0
395.07336	14.1
417.09741	3.3
435.10928	16.2
435.22202	8.6
436.11279	2.7
436.18768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28872	1.2
53.28920	1.3
55.01778	2.0
57.03332	10.5
59.01267	14.3
59.14927	1.4
60.09842	1.3
71.01271	9.1
71.25273	2.8
72.99197	6.8
75.00748	3.1
83.01289	1.7
84.02068	2.7
85.02843	100.0
86.03175	2.4
87.00729	2.0
89.02352	4.3
90.17242	1.4
93.03345	1.4
101.02357	2.1
103.00267	3.2
115.00333	1.7
121.02859	3.0
123.04459	1.4
128.03352	1.3
129.01865	9.6
133.01328	2.8
136.01611	1.6
137.02361	3.9
147.02921	10.1
148.01610	1.7
149.02399	2.0
153.05444	2.7
163.03931	2.2
166.02663	1.4
191.01956	37.3
208.03618	1.4
209.03000	33.1
385.07925	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	435.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76368	0.8
55.01782	1.3
56.48067	0.9
56.89025	0.7
59.01266	9.2
59.29306	0.8
61.98716	8.6
62.02296	0.7
66.04459	0.8
71.01272	1.7
71.62811	1.4
99.00779	7.8
99.01343	0.8
101.50274	0.8
116.76369	0.9
131.05034	0.9
146.03699	0.9
149.06064	2.1
158.81020	0.9
159.04485	9.3
174.03348	0.9
175.04041	3.0
180.47157	0.8
185.06133	3.3
187.07635	1.3
188.04813	1.9
201.05504	4.1
208.10518	0.9
211.03966	1.6
213.05550	8.0
214.06296	1.8
215.07091	6.8
224.59956	0.8
227.07347	0.9
229.08727	25.6
229.10901	1.5
230.09119	1.7
238.06552	1.1
249.05525	1.1
250.06598	1.0
251.07283	2.2
259.09814	10.7
261.05630	0.9
275.07227	1.8
277.05173	1.5
278.05914	1.3
279.06815	2.1
280.07672	1.0
286.06619	1.1
287.07486	1.3
288.04471	1.1
289.05173	3.5
289.08630	1.7
290.06195	0.7
290.09540	1.1
291.06934	2.2
291.10480	4.9
293.05350	1.3
293.08163	5.8
299.11020	1.6
300.07892	1.1
301.05258	2.4
301.08743	1.6
302.05963	0.9
303.06863	4.9
303.10080	1.3
304.07214	4.3
305.04684	3.1
305.08380	2.9
306.05243	1.3
306.09167	2.4
307.06442	1.9
307.09650	1.5
313.05136	1.2
313.08853	1.0
314.06058	1.5
315.06888	3.4
316.03964	5.4
316.07367	1.8
317.04733	8.2
317.08261	2.9
317.11609	0.9
318.05402	1.9
318.09113	1.4
319.02814	0.9
319.06226	5.5
319.10028	25.9
320.06989	1.2
320.10422	7.8
321.07761	2.0
327.06934	1.0
327.10617	3.4
328.11191	1.2
329.08371	3.3
330.05545	1.4
330.09125	3.5
331.06146	8.1
331.09409	1.4
332.06976	17.7
332.10492	1.5
333.04120	1.4
333.07751	3.4
335.05692	1.9
335.09296	27.6
336.09695	5.0
337.10907	50.4
338.11023	4.6
339.06949	1.0
341.08246	1.6
343.06332	1.9
343.10068	1.7
344.07260	1.7
344.10791	2.2
345.07770	2.0
345.11636	4.6
346.12076	0.9
347.09296	2.0
348.06439	1.1
349.07523	3.6
350.08035	6.0
354.09174	0.9
355.09872	7.4
355.13730	1.3
356.10587	1.8
357.07718	17.5
358.08206	4.7
361.07471	0.9
363.12662	1.1
369.11853	1.2
372.10278	1.8
373.10855	45.2
373.26300	1.1
374.11075	5.7
375.08868	1.0
376.09869	1.0
389.10696	3.0
391.11957	100.0
392.12320	11.3
399.12729	2.6
405.13724	1.4
417.09946	3.0
418.14160	1.0
435.14865	77.9
436.15054	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71017	0.3
59.01264	100.0
59.32039	0.3
60.01598	1.0
61.38697	0.3
61.98710	1.3
71.01273	5.5
73.02827	1.8
74.10987	0.3
83.01315	0.6
85.02838	1.8
87.00794	0.4
89.02325	2.7
89.02767	0.3
99.00802	0.5
101.02351	4.0
101.83910	0.4
113.02378	2.6
119.03426	1.4
125.02402	0.4
131.03452	0.4
134.03690	0.6
143.03442	0.6
151.77660	0.3
160.04027	0.4
161.04494	2.0
179.05618	0.6
181.97566	0.3
221.06744	0.7
261.03586	0.4
270.04596	0.7
271.19122	0.5
373.18573	0.4
373.22546	2.5
399.25534	0.4
433.11246	1.5
433.24973	2.9
434.25336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.1
58.10903	0.1
59.01265	10.5
60.01594	0.2
61.98718	100.0
69.44118	1.0
71.01273	1.5
72.99210	0.2
73.02835	0.4
75.00800	0.1
76.55569	0.1
78.87641	0.1
83.01298	0.3
85.02854	0.9
87.00770	0.1
87.04453	0.2
89.02361	0.5
99.00792	0.3
101.02357	1.1
103.03941	0.5
109.02866	0.7
113.02370	0.6
119.03412	0.2
136.01430	0.1
141.04614	0.1
143.03418	0.1
146.03682	0.6
147.04439	0.3
149.04373	0.2
158.03754	0.4
159.04488	0.4
161.04507	0.5
162.81166	0.1
175.04022	0.3
179.05646	0.1
183.13876	1.0
195.13812	0.7
213.14961	9.0
219.55997	0.1
227.16573	0.3
239.07292	0.2
255.16083	0.2
256.62250	0.1
267.06750	0.3
268.07471	2.1
269.07861	0.2
283.09839	3.2
284.10327	0.4
303.18314	0.4
311.22293	0.1
327.08844	0.4
359.39453	0.1
371.07745	0.9
433.24719	0.4
434.25116	0.4
435.22192	0.2
438.68082	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94735	0.1
53.09974	0.1
55.01777	0.3
57.03334	0.5
58.00476	0.2
59.01266	100.0
60.01598	1.4
61.98710	0.6
69.03364	0.2
71.01273	6.9
71.59660	0.1
72.99197	0.3
73.02840	2.1
75.00759	0.6
75.49365	0.1
79.91650	0.1
81.03355	0.2
83.01270	0.9
85.02844	2.7
86.03215	0.1
87.00786	0.5
87.04422	0.4
89.02341	2.2
95.01283	0.7
97.02858	0.2
99.00777	0.8
101.02349	4.4
101.06026	0.2
108.02078	0.2
109.02900	0.1
111.00832	0.3
113.02356	3.4
115.03957	0.2
117.05651	0.1
119.03425	1.0
119.24747	0.1
119.72076	0.1
121.40894	0.2
125.02416	0.2
133.06960	0.1
139.00337	0.1
143.03494	0.4
151.00374	0.2
159.02972	0.4
160.04036	0.2
161.04498	2.1
165.05600	0.5
179.05612	0.4
229.18108	0.7
244.82730	0.1
245.94756	0.1
249.06302	0.4
256.03906	0.3
267.07333	0.2
271.06290	0.6
271.09610	0.7
271.19272	0.2
285.06799	0.2
313.05981	0.3
317.44495	0.1
331.17764	0.2
343.07465	0.4
373.18750	0.2
373.22458	4.8
374.22916	0.5
383.12943	0.1
391.23456	4.4
392.23923	0.5
424.15225	0.2
431.98819	0.1
433.10855	0.4
433.15656	0.4
433.25198	0.6
433.65765	0.3
448.83835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58727	0.2
53.44822	0.2
53.97369	0.3
57.03344	0.8
59.01266	100.0
60.01603	1.3
61.01682	0.3
61.98722	2.9
71.01267	6.7
72.99216	0.6
73.02838	1.6
75.00773	1.5
78.85194	0.2
83.01305	1.0
85.02850	3.2
87.00785	0.8
89.02345	2.9
93.03384	0.4
95.01302	0.7
98.19783	0.7
99.00791	1.4
99.04456	0.2
101.02350	3.5
107.01331	0.7
109.02924	0.4
111.61309	0.3
113.02361	3.7
115.93121	0.2
116.79439	0.2
117.05522	0.5
118.42169	0.3
119.03423	1.0
119.04944	1.4
121.02869	0.5
125.02418	0.3
131.03453	0.3
139.00351	0.4
143.03438	0.5
149.04480	0.4
151.00310	2.5
159.03009	0.5
160.04012	0.4
161.04506	2.3
175.20824	0.3
177.01942	0.5
179.05699	0.4
179.44818	0.3
199.66743	0.3
207.10385	0.3
227.07182	0.3
229.50768	0.4
231.05193	0.4
249.06169	1.5
256.03903	0.6
258.09222	0.5
267.07382	0.3
271.06171	6.4
271.19186	0.5
272.06580	0.6
293.09061	0.3
308.11960	0.4
313.06625	0.3
343.07660	0.4
367.12711	0.4
373.18143	0.4
373.22409	2.8
374.22897	0.3
383.12888	0.3
391.23788	0.3
404.13385	0.3
433.10632	1.9
433.15750	1.2
433.24860	2.2
433.65704	0.8
434.11557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.43123	0.3
59.01266	17.0
66.64561	0.4
71.01249	0.6
71.74838	0.3
74.83266	0.4
78.95795	69.6
83.01287	0.7
89.93497	0.4
96.96865	5.2
150.97940	1.7
152.99529	100.0
153.99869	1.7
161.04390	0.4
171.00600	2.5
198.23247	0.3
212.39674	0.3
279.23291	1.6
302.40790	0.3
373.22113	0.7
419.13385	0.4
433.23712	14.7
434.24219	1.6
453.85654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.7
59.01265	100.0
60.01596	1.5
60.61737	0.4
61.98706	1.0
64.28903	0.5
71.01273	7.7
71.61095	1.0
73.02845	2.1
83.01305	0.7
83.04924	0.6
85.02855	2.9
89.02338	2.4
95.01292	0.8
99.00789	0.8
101.02342	5.2
113.02366	2.6
119.03412	1.2
135.04466	0.5
159.02930	0.9
161.04498	4.8
187.18791	0.5
227.16533	2.4
281.14719	0.5
335.12817	1.0
373.22394	8.0
373.26794	0.7
374.22913	1.1
375.18445	0.5
433.13324	0.8
433.23990	7.6
434.25290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
59.01266	100.0
60.01616	1.0
60.81942	0.1
64.04247	0.2
66.37548	0.2
69.55985	0.5
69.56408	0.6
71.01272	3.1
73.02833	1.0
83.01296	0.5
85.02846	1.1
89.02356	0.5
98.20538	0.4
99.00817	0.5
101.02343	2.4
113.02341	1.2
119.03434	0.3
157.54132	0.1
159.02927	0.2
161.04506	1.8
175.52650	0.2
205.42030	0.2
251.18700	0.2
251.58713	0.2
271.02615	0.2
300.03027	0.4
341.67474	0.2
373.22406	3.5
374.23016	0.3
433.07828	0.2
433.24747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.23296	0.2
59.01266	10.7
61.58769	0.2
61.98734	0.2
64.64549	0.2
71.01293	0.4
71.30123	0.2
77.15815	0.2
78.95795	51.6
83.01269	0.3
95.80315	0.2
96.96867	5.8
97.76393	0.2
98.19666	0.3
101.02348	0.4
105.02998	0.2
115.78876	0.2
125.87278	0.2
148.25322	0.2
150.97961	1.8
152.99529	100.0
153.99887	1.5
158.03633	0.2
171.00598	4.0
253.67824	0.2
279.23318	0.8
373.22360	0.3
433.23697	9.5
433.28674	0.3
433.33456	0.7
434.23987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	14.7
69.03331	0.5
71.01305	0.7
71.60300	0.5
85.02853	0.5
89.02360	0.7
95.65888	0.4
96.95939	0.6
101.02351	0.6
119.04904	0.5
125.44865	0.5
130.04216	0.6
135.04434	1.0
145.06543	2.3
146.03691	1.7
147.04456	24.9
148.05276	5.2
155.04997	1.7
158.03690	0.9
159.04465	30.2
160.05048	2.5
161.02426	0.9
161.06032	5.5
172.05273	5.5
173.06029	53.2
174.03227	2.9
174.04884	0.6
174.06500	5.0
175.03954	8.9
183.13869	1.7
184.05058	0.4
185.06004	1.6
186.06802	2.0
187.03979	4.9
187.07617	13.5
188.04492	0.7
188.08304	1.7
189.05537	11.7
198.06903	0.5
199.07622	0.6
200.08334	0.7
201.05542	11.9
201.09248	0.8
202.05844	0.9
211.13388	13.4
212.13739	0.8
215.07144	5.5
216.07915	63.1
217.08328	4.0
229.12297	0.7
229.94785	0.5
231.13965	0.5
241.12424	0.8
255.13576	0.7
257.15582	0.5
271.13284	0.8
271.17004	0.8
275.12997	0.7
281.08932	0.4
283.09869	1.1
283.13406	1.3
285.15012	5.5
289.14481	0.8
294.45941	0.4
297.15045	11.7
297.18466	0.9
298.15317	1.1
299.12982	0.8
300.13773	9.4
301.14182	1.4
313.18054	2.3
315.16068	4.5
316.16608	0.6
318.14728	4.7
323.16678	2.8
341.17633	100.0
342.17975	10.9
351.06250	0.6
359.18698	73.8
360.19070	8.4
373.22467	0.6
433.22348	79.2
434.22665	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	433.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	0.7
62.41491	0.2
69.79700	0.9
69.80115	0.4
71.01275	1.1
72.99197	0.2
73.02850	0.2
85.02869	0.9
89.02370	0.5
101.02330	1.0
113.02357	0.7
119.03442	0.4
135.00882	0.3
135.04448	0.5
153.01918	0.3
161.04521	0.4
174.35458	0.2
175.81543	0.2
187.66492	0.2
188.91258	0.2
211.13412	0.6
232.39091	0.2
238.33128	0.2
260.78317	0.2
271.06232	0.6
271.14777	0.2
285.07016	0.3
286.03967	0.3
287.04727	0.2
305.69638	0.2
311.05408	0.2
312.05988	0.2
313.06256	0.5
341.69586	0.2
373.22629	0.7
391.23441	0.4
433.10733	0.6
433.24649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67012	1.1
59.01266	79.8
61.98713	1.7
63.49881	1.2
68.00787	1.3
70.54062	1.2
70.62509	1.3
71.01264	3.5
78.92142	1.3
83.01287	1.1
83.98603	1.2
98.19778	2.8
101.02354	1.9
101.23100	1.1
110.72119	1.1
113.02335	2.3
128.19292	1.2
135.04431	5.0
145.06526	2.5
146.03775	2.2
147.04475	26.0
148.05267	6.4
155.04883	1.6
159.04460	30.9
160.04929	1.7
161.04619	2.1
161.06001	7.0
172.05223	5.5
173.06041	52.9
173.07536	3.0
174.03186	2.9
174.06520	4.9
175.03978	10.5
176.04559	1.6
185.06030	3.3
186.06732	1.9
187.03995	6.3
187.07610	14.3
188.08252	2.3
189.05487	12.9
193.65511	1.5
193.94165	1.2
201.05580	11.3
211.13373	15.6
215.07079	5.0
216.07915	57.8
217.08214	3.6
271.19119	4.3
283.13254	1.5
285.15002	5.0
297.15036	10.7
300.13745	9.1
301.14166	2.3
305.74683	1.3
313.18060	2.0
315.16028	6.0
318.14673	5.4
323.16562	3.4
337.10706	2.0
341.17648	100.0
342.17914	10.1
359.18710	78.4
360.19019	8.9
372.63620	1.6
373.22311	2.4
433.13770	10.8
433.22318	71.9
433.63092	2.7
434.13406	1.9
434.22830	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	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.4
58.00484	0.3
59.01265	100.0
60.01590	1.3
61.01669	0.3
61.98725	0.4
63.98663	0.2
65.03848	0.2
65.73565	0.2
69.03340	0.3
69.30235	0.5
69.30643	1.9
71.01268	4.8
72.94322	0.2
72.99200	0.7
73.02831	1.2
75.00764	0.7
77.90872	0.2
83.01278	0.4
83.04935	0.3
84.02075	0.2
85.02837	1.6
87.00793	0.7
89.02336	3.8
89.94051	0.2
91.01797	0.6
92.80178	0.2
94.07632	0.2
95.01279	0.3
96.95947	0.4
99.00822	0.3
99.04417	0.2
100.16928	0.2
101.02351	3.0
109.02853	1.6
113.02356	2.1
115.03925	5.2
115.04693	0.4
116.04255	0.2
117.41795	0.2
119.03416	1.4
121.06470	0.2
131.03421	0.3
134.03687	0.5
135.00803	1.6
135.04449	5.4
135.05441	0.4
135.08096	0.4
137.02402	0.4
137.09648	1.0
139.07603	0.6
145.02806	0.2
145.07399	0.2
149.02409	0.9
149.04543	0.3
153.01901	1.5
161.02402	0.5
161.04538	0.8
165.53502	0.2
167.03482	0.4
170.64468	0.2
179.05600	0.6
191.14441	0.8
208.95464	0.2
209.43732	0.2
229.04976	1.1
233.18910	0.3
235.13461	0.6
249.06375	0.7
253.14479	5.5
254.14954	0.4
267.07333	0.8
269.04706	0.3
269.14108	0.2
270.04855	0.3
271.06204	4.3
285.06857	0.2
287.15137	0.3
313.06583	0.3
313.10889	0.4
316.31320	0.2
330.11221	0.3
363.23941	0.2
373.18893	0.3
433.11884	3.6
433.16925	0.6
433.21149	4.8
434.11838	0.5
434.21384	0.7
453.87073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33361	0.3
57.03318	0.3
59.01263	100.0
60.01598	1.4
69.29612	0.3
69.44084	2.1
69.44491	0.6
71.01266	2.3
73.02843	0.5
85.02839	1.6
89.02345	2.0
98.30146	0.4
101.02348	1.5
107.04914	0.3
108.02106	0.8
109.02885	0.8
113.02370	1.4
119.03451	0.6
120.81179	0.3
124.01604	0.4
135.04460	0.8
138.01898	5.3
139.02277	2.9
139.03964	0.7
143.03453	0.4
144.26276	0.3
149.02425	0.4
161.02463	0.4
161.04504	1.2
174.63716	0.3
179.05678	1.3
181.05009	2.8
196.07364	2.6
197.07784	0.3
205.85001	0.4
211.04115	0.7
211.09741	6.9
212.04782	0.3
212.10210	0.4
239.03539	2.2
240.04230	3.1
241.04865	0.6
253.10815	0.5
253.41853	0.3
271.05997	0.8
301.13000	0.8
403.10654	1.1
433.11646	2.7
433.17380	1.0
434.12344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03340	4.6
58.00469	0.9
59.01266	34.8
67.01765	0.9
68.99702	1.1
69.03344	6.4
69.62619	0.8
69.63032	2.1
71.01273	17.2
71.04906	1.3
72.99200	4.8
73.02846	2.1
75.00764	14.4
79.95777	0.4
81.03349	0.5
83.01266	0.9
83.04916	0.7
85.02850	16.1
87.00768	5.6
89.02338	6.9
92.50896	0.3
93.03351	1.1
95.01293	4.0
98.24574	0.4
99.00785	7.0
100.01144	0.4
101.02355	3.6
102.52466	0.4
103.00262	1.4
107.54237	0.4
109.02859	2.6
111.00778	0.8
111.04389	0.7
111.08064	1.0
113.02360	18.7
113.05949	0.9
114.02662	0.5
115.00269	1.7
117.01833	1.7
117.03351	1.4
118.03720	0.6
119.03400	1.9
123.08075	0.6
129.01833	1.7
130.99721	0.4
131.03453	0.7
135.04478	0.6
139.11217	9.8
140.11516	0.4
143.03397	0.6
157.01401	0.6
159.04510	0.4
161.02357	1.1
161.04489	1.2
162.02769	0.5
175.02472	2.1
175.03760	0.4
179.05511	1.1
183.10228	14.2
184.10603	0.7
199.77431	0.4
205.07059	0.6
211.08224	0.4
231.05042	3.0
249.06190	21.2
250.06381	1.4
267.07266	8.1
268.07397	0.7
269.04614	0.6
270.04642	0.6
271.05441	0.5
282.04962	0.6
283.06113	3.8
284.06485	3.4
285.06732	6.6
286.07089	0.4
295.05795	0.4
311.05655	5.1
312.06079	4.1
313.06235	14.7
323.05460	0.5
325.06174	1.7
341.06564	0.9
342.06998	0.5
343.07294	3.8
355.07355	0.4
373.15167	0.6
415.16177	2.2
433.10663	15.4
433.17114	100.0
433.23697	3.6
434.10941	1.3
434.17450	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	433.1151
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01265	9.3
60.98013	0.3
61.98721	0.5
63.02280	2.0
65.00211	5.2
69.57913	2.4
71.01280	1.7
73.02833	0.4
75.00771	0.5
83.01275	3.5
85.02868	0.9
89.02327	0.7
93.03359	6.8
97.41947	0.3
101.02347	0.9
107.01293	10.6
108.02142	0.4
113.02367	0.9
119.04945	32.8
120.05260	1.4
121.02920	0.5
125.02399	1.5
131.01328	0.5
135.00771	0.3
135.04445	1.1
136.01546	0.4
137.02371	0.6
143.04912	0.3
144.83156	0.3
145.02893	0.8
149.02470	0.4
151.00311	40.7
152.00850	2.0
154.11771	0.3
161.04649	0.6
161.06020	0.6
164.01147	0.7
165.01897	2.2
169.01379	1.7
175.00365	1.5
177.01878	5.1
178.99844	0.5
185.06102	0.4
187.03979	0.5
193.01404	1.2
227.07207	0.8
269.04587	1.3
270.04785	0.9
271.06183	100.0
272.06522	8.0
295.05997	1.3
313.07230	1.7
378.28391	0.3
433.11563	2.2
434.11490	0.5
436.71820	0.3
443.54657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03337	0.9
58.00488	0.5
59.01265	100.0
60.01609	1.4
61.80000	0.4
61.98714	0.5
63.04769	0.4
64.09610	0.4
69.29121	4.4
71.01267	6.7
72.99225	0.5
73.02841	1.1
75.00772	1.3
81.03352	0.6
82.02489	0.4
82.03004	0.4
83.01271	1.0
83.04938	1.3
85.02832	2.7
87.00768	1.1
89.02328	3.8
93.03419	0.6
95.01321	0.5
97.02900	0.7
99.00800	0.7
101.02323	3.6
101.70757	0.5
107.08582	0.7
113.02362	2.9
115.03991	0.8
119.03445	2.0
119.04959	2.0
123.04411	0.5
125.02409	0.8
134.02530	0.4
137.02400	0.7
143.03476	0.5
149.02422	0.5
150.03149	0.7
151.00343	0.7
153.01892	2.8
161.04561	1.2
165.05557	0.8
167.03423	0.8
177.89243	0.4
179.05614	0.8
181.01390	21.4
182.01767	0.7
183.10333	0.9
193.01503	1.8
195.06703	0.6
196.03746	25.1
197.04184	1.2
211.06105	47.2
211.99144	0.5
212.06450	2.7
226.28635	0.5
249.06293	0.5
253.14606	1.8
267.07095	0.6
271.15793	0.6
308.25146	0.4
313.07254	3.4
314.08026	0.5
343.08484	1.0
415.20193	0.6
433.11569	1.7
433.20978	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	433.115
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
54.21029	0.8
57.03343	1.2
59.01267	51.7
60.01618	1.1
60.99211	1.3
69.05188	0.8
69.27855	0.9
69.56227	1.9
69.56644	5.1
71.01268	20.0
72.99208	2.1
73.02840	3.2
75.00768	2.7
80.85410	0.8
81.19991	0.8
81.20554	0.8
83.01275	1.7
83.04939	1.1
85.02839	7.5
87.00764	8.1
89.02338	11.7
93.03358	1.5
95.01294	1.6
95.75446	0.8
96.95945	1.2
98.19804	1.6
99.00788	3.0
99.04414	1.9
101.02348	11.0
106.04147	1.7
107.04933	4.1
108.02079	17.2
109.02887	9.6
109.06471	1.0
113.02354	8.0
115.03914	1.5
116.92766	4.6
117.01942	0.8
119.03410	5.7
119.04906	1.1
121.02873	1.6
121.06522	2.4
122.03651	2.3
123.04445	10.3
131.04936	1.5
133.06525	5.1
134.03642	4.0
135.04454	3.9
137.02406	2.3
139.07550	1.5
143.03421	1.2
147.04489	1.0
147.25235	0.8
149.02374	1.3
149.04945	0.9
149.05998	4.7
150.03171	1.4
153.01810	1.0
159.04443	1.1
159.08102	9.0
161.04503	2.8
161.05846	1.1
161.13257	0.9
165.04022	1.0
165.05505	1.5
175.07553	1.2
177.05518	7.6
179.05609	2.7
184.05174	1.0
193.05069	1.1
195.02846	1.0
195.06618	4.5
203.07091	4.3
224.08458	5.7
226.06342	5.3
227.07164	3.6
235.13432	1.7
235.71822	0.9
239.10835	6.9
240.07912	0.9
241.08672	6.9
242.09381	2.7
243.10248	1.1
249.06201	2.5
253.08652	1.5
253.14493	9.6
257.11890	21.0
258.12228	2.1
267.07336	6.8
267.10074	1.4
269.08185	2.8
271.05978	1.5
283.10062	0.9
283.13574	4.6
284.10614	3.9
285.11008	1.4
285.13669	1.9
299.12939	8.3
300.13208	1.1
301.10840	9.0
309.11261	2.6
313.05768	1.0
327.12466	4.3
328.12482	1.3
343.12003	3.1
371.11511	3.0
373.09390	10.6
374.09695	1.3
397.09506	3.6
415.09958	1.4
433.11490	100.0
433.20859	7.0
433.24738	6.6
434.11887	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	432.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78234	0.4
59.01263	12.0
61.98716	100.0
67.80164	0.5
70.06671	1.0
70.07064	1.0
71.01281	0.7
82.38461	0.4
82.58353	0.4
89.16267	0.4
93.03387	1.1
94.28227	0.5
101.02297	0.5
109.02868	1.8
126.76643	0.4
135.04482	0.6
137.02373	14.2
192.95885	0.5
369.13525	10.3
370.13931	1.4
394.17496	0.7
403.08444	2.3
418.10526	1.1
432.10034	0.7
433.13052	2.8
456.61340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0783
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01759	0.4
55.22245	0.3
59.01264	100.0
60.01607	0.5
62.98032	0.3
65.00205	0.5
71.01268	4.7
72.99216	0.5
73.02831	1.1
73.69529	0.3
83.01299	0.5
85.02835	2.1
88.26711	0.4
89.02332	1.8
95.01286	0.8
98.19801	1.1
99.00782	0.7
101.02351	2.9
107.01292	1.1
108.02092	0.8
109.02849	0.4
113.02363	1.9
119.03419	1.0
121.02850	0.7
125.02427	0.4
128.87675	0.4
134.03596	0.5
135.00812	0.6
143.03481	0.5
148.01521	0.8
149.04494	0.4
149.06013	0.4
151.00290	4.3
161.04517	1.8
163.00360	0.8
164.01036	0.5
165.01939	0.4
177.43681	0.3
178.99835	1.9
179.05583	0.7
183.04430	0.4
185.06001	1.0
210.16087	0.3
211.03961	0.4
214.63947	0.3
215.03415	0.4
225.41008	0.4
226.02684	1.0
227.03592	2.2
227.07133	3.1
229.04982	0.5
240.87779	0.4
243.03014	5.1
244.03593	0.7
245.04626	0.4
253.05022	1.6
254.02238	1.3
255.03021	13.4
256.03281	1.0
271.02545	31.8
271.05978	3.0
272.03058	3.2
291.78705	0.4
299.02097	1.0
300.02805	65.3
301.03470	16.2
302.04004	1.1
373.22360	0.9
433.07736	33.6
434.08127	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
55.80285	0.2
57.03340	0.3
58.00479	0.3
59.01267	100.0
59.96982	0.1
60.01603	1.0
67.31950	0.2
69.03330	0.2
70.65678	0.5
70.66033	0.2
71.01272	5.8
73.02837	1.7
76.27437	0.2
78.42880	0.1
83.01281	0.8
84.08544	0.2
85.02848	2.5
89.02341	1.6
91.54269	0.2
93.03378	0.4
95.01301	0.4
99.00795	0.7
101.02358	4.2
107.01307	0.2
108.02105	0.1
113.02369	2.2
117.03337	0.3
118.08886	0.2
119.03403	0.5
125.02354	0.2
135.04413	0.2
143.03439	0.4
159.02911	0.7
159.04314	0.3
159.36884	0.2
161.02446	0.3
161.04512	4.8
163.00394	0.3
163.26796	0.2
164.70082	0.2
165.12778	0.2
179.05638	0.2
183.04433	0.4
183.47934	0.2
185.06058	0.4
187.03966	0.5
190.02649	0.2
197.06012	0.2
207.13919	0.6
209.11853	0.3
211.03969	0.5
213.05649	0.2
215.49120	0.2
227.03513	6.4
228.03896	0.5
229.05090	1.2
239.03455	0.3
241.04984	0.2
251.12881	0.2
253.05075	0.5
255.03027	9.9
256.03485	1.2
257.04538	0.7
268.03949	0.4
268.07367	0.4
268.41382	0.1
269.04437	0.4
269.08289	0.2
269.14075	2.5
270.14093	0.2
281.04639	0.6
282.05124	0.2
283.06247	0.9
284.03326	6.4
284.06522	0.4
285.04102	12.0
286.04495	1.0
295.06104	0.2
311.05789	1.4
323.05673	0.5
341.06729	2.5
342.06897	0.2
371.20834	7.2
372.20996	0.8
431.09851	7.9
431.22797	1.2
432.10046	1.5
432.23224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	12.9
60.00765	0.4
61.98713	1.0
67.41776	0.5
69.71066	3.1
71.01252	0.6
78.95795	71.0
81.07375	0.4
85.02817	0.6
96.96870	5.8
101.39617	0.4
149.06009	1.8
150.97974	1.7
152.99525	100.0
153.99876	1.4
163.96846	0.5
171.00568	2.9
182.71690	0.5
189.40515	0.5
190.06383	1.0
200.63286	0.5
255.10239	1.1
277.21786	1.5
283.06204	1.1
311.05704	1.3
319.09854	1.1
329.08087	0.5
337.11005	1.7
371.20456	0.5
393.17145	3.0
431.09857	1.2
431.15274	5.4
431.22171	13.4
431.27350	1.2
431.32483	2.7
432.15903	0.6
432.22516	1.9
432.28052	0.6
434.92300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03333	1.1
58.00483	0.6
58.65807	0.3
59.01266	100.0
60.01603	1.3
60.52617	0.3
61.01699	0.6
61.98721	1.4
61.99016	0.4
69.03346	0.5
71.01272	17.6
72.01615	0.7
72.99217	0.8
73.01689	0.3
73.02836	7.8
74.03181	0.3
75.00757	0.4
83.01277	3.0
83.04964	0.3
85.02845	6.2
86.03179	0.4
87.00768	1.4
89.02338	9.0
90.02692	0.9
91.02759	0.4
91.85548	0.3
93.03355	0.6
95.01312	1.3
97.02849	0.5
98.19736	0.5
99.00790	1.1
99.04432	1.6
101.02348	12.3
102.02646	0.4
109.06419	0.3
113.02357	8.3
117.03366	1.9
119.03406	2.8
119.21642	0.3
121.02859	0.4
123.08077	0.3
125.02428	0.6
129.01849	0.4
131.03445	0.8
133.02950	0.4
133.06557	0.5
134.06873	0.4
137.02391	1.5
143.03444	1.2
149.02310	0.4
149.04512	0.9
153.09200	1.8
159.02887	0.5
161.02422	1.2
161.04514	7.0
161.05852	0.4
163.03908	0.7
165.12852	0.5
175.04024	0.3
179.05644	0.9
191.03491	0.5
203.03418	0.6
207.13936	2.6
209.11943	0.6
209.15456	2.1
225.14893	0.3
229.56380	0.4
229.95447	0.3
232.87206	0.3
234.02962	0.3
240.04335	0.3
241.04976	0.5
249.11319	0.4
249.15036	0.3
251.12946	7.4
252.13248	0.3
268.03806	5.0
269.04596	4.2
269.14011	5.3
270.14478	0.5
279.06863	0.4
281.04639	2.7
282.05243	0.5
283.06158	7.5
284.06528	0.4
286.18625	0.4
291.56229	0.3
293.04669	0.3
293.14081	0.8
295.06308	1.3
311.05670	10.1
311.15234	0.4
312.06119	0.8
314.04623	0.6
323.05661	4.4
324.06247	0.4
324.97580	0.3
341.06726	15.8
342.07059	1.7
353.06900	0.9
371.07776	0.6
371.20822	11.8
372.20996	1.6
389.21887	0.7
413.09360	0.5
431.09961	8.8
431.18329	0.6
431.23535	5.7
432.10382	0.9
432.23318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03336	2.3
59.01266	37.8
60.01619	0.5
61.35460	0.4
69.03346	1.9
70.75520	0.8
70.75899	0.7
71.01274	8.2
71.01669	0.5
73.02836	13.8
75.00793	0.5
78.16685	0.4
82.53458	0.4
83.01279	14.8
83.04951	0.4
85.02872	1.4
89.02370	1.5
95.01328	0.7
95.04960	0.5
97.06548	0.6
99.04421	14.3
101.02351	8.5
109.06532	0.6
111.04427	0.6
113.02368	4.9
116.70849	0.4
120.41470	0.3
121.06535	0.8
124.86747	0.4
125.02447	0.5
131.03421	0.7
139.93379	0.4
143.03477	0.4
161.04495	1.0
163.07562	0.4
165.12778	4.4
169.93990	0.4
189.12868	2.6
207.13896	11.1
208.14148	0.9
209.11823	36.7
210.12119	2.1
225.14999	6.7
231.13924	1.0
233.11940	0.6
251.12886	3.8
267.16071	0.7
269.13998	100.0
270.14319	7.5
275.12903	2.9
293.13889	0.5
311.05670	0.9
311.15054	6.3
328.00409	0.5
341.16138	3.9
371.17209	11.1
372.17465	1.0
431.19202	20.8
432.19617	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	431.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03336	1.8
58.00483	0.4
59.01265	37.3
60.01596	0.3
69.03349	1.4
70.29765	0.3
70.75417	0.9
71.01270	8.4
73.02834	12.6
75.00768	0.6
81.03324	0.3
83.01278	13.1
83.04935	0.5
85.02848	1.7
87.00777	0.4
89.02349	1.3
90.98037	0.3
95.01294	0.7
95.04911	0.6
97.06509	0.5
99.04419	14.4
99.11092	0.3
101.02341	8.6
107.08591	0.5
109.06506	1.1
111.04402	0.5
113.02357	5.3
119.03416	0.8
121.06527	0.6
125.02381	0.6
131.03444	1.1
143.03438	0.4
149.04460	0.3
157.62924	0.3
161.04477	1.7
163.07576	0.7
165.12828	3.9
171.11671	0.4
189.12827	3.8
191.10658	0.6
207.13890	11.3
208.14203	0.6
209.11818	36.9
210.12140	2.9
225.14969	6.4
226.15378	0.4
231.13950	1.3
233.11902	0.9
251.12901	5.6
252.13316	0.3
253.38689	0.3
265.14639	0.4
267.15997	0.8
268.04004	0.3
269.13992	100.0
270.14349	7.5
275.12988	3.8
276.13345	0.3
283.06223	0.5
285.04059	0.5
293.14063	0.9
305.13892	0.5
311.05792	0.5
311.15057	5.2
312.15271	0.7
341.16071	3.2
353.15668	0.3
371.12460	0.7
371.17142	12.2
371.21646	0.7
372.17609	1.2
431.09854	0.9
431.19281	26.4
432.19730	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.221
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01267	1.6
60.21218	0.2
62.96289	0.2
71.01257	0.2
78.95793	47.5
79.44493	0.2
96.96861	6.2
98.21252	0.2
110.47043	0.2
147.04449	0.2
150.97957	1.6
152.99522	100.0
153.99837	1.2
163.26056	0.2
165.46194	0.2
171.00587	4.1
190.06325	0.3
255.10289	0.2
277.21863	0.7
311.05609	0.4
316.07568	0.2
319.09647	0.2
337.10696	0.3
393.17233	0.8
431.09998	0.4
431.15298	1.3
431.22174	7.9
431.28003	1.3
432.15466	0.3
432.22458	0.8
432.27887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61293	0.7
57.03359	1.3
58.00505	2.0
59.01263	75.4
60.01609	1.0
67.55624	0.7
69.03349	1.0
69.34516	1.7
69.34932	5.9
71.01268	24.8
72.99212	1.8
73.02840	4.0
75.00811	0.9
77.03867	1.1
83.01273	4.4
85.02853	5.3
87.00791	0.9
89.02338	19.4
89.02843	1.2
93.03384	1.2
95.01311	2.0
99.04423	28.4
101.02341	13.0
105.03421	0.9
110.31285	0.7
111.04431	1.6
113.02357	7.9
117.03369	5.8
117.81894	0.9
118.03714	1.2
119.03395	4.6
119.04881	0.8
120.71203	0.7
121.02866	1.3
121.06496	1.2
131.03503	1.1
135.04507	1.1
143.03438	1.7
149.02361	1.2
159.04474	1.6
161.02393	2.6
161.04504	2.1
163.03969	2.0
165.12828	2.3
179.05589	1.4
189.12846	7.1
207.13889	32.1
208.14233	2.4
209.11804	10.5
225.14929	2.1
227.03535	3.3
229.05090	0.8
233.11887	1.5
249.30409	0.9
251.12912	100.0
252.13245	8.3
255.03014	3.4
268.03741	3.2
269.04474	1.8
269.13998	40.5
270.14316	2.3
281.04733	1.4
282.05411	1.7
283.06180	28.2
284.03281	4.0
284.06537	2.5
285.04028	6.2
311.05661	58.9
312.06024	5.6
323.05609	2.1
327.08267	0.9
341.06702	4.9
371.16806	1.5
371.20975	1.4
378.11478	0.7
413.18088	1.5
431.10159	15.4
431.19174	42.1
432.10233	1.8
432.19531	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	431.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.00484	3.2
59.01263	100.0
61.98710	2.6
61.99156	1.6
71.01270	53.3
72.99186	6.9
73.02829	4.7
75.00755	3.6
75.07709	1.6
79.09000	1.9
81.06219	1.8
85.02843	16.1
87.00760	6.9
89.02338	75.9
95.01274	2.2
99.00806	2.7
100.81509	1.9
101.02345	31.9
113.02354	25.2
114.19799	1.6
119.03412	27.0
125.02355	2.0
131.03401	4.5
133.02856	1.8
138.06761	3.7
143.03412	9.9
143.85153	1.8
148.05222	2.0
151.07603	3.3
152.08374	5.6
153.09169	14.5
157.91554	1.6
159.02959	2.0
161.04521	24.1
166.04977	3.8
178.10115	1.7
179.05565	68.8
180.06010	1.8
205.12358	6.7
223.13438	13.4
225.06107	6.5
226.08662	4.9
229.19328	2.0
251.05617	4.5
268.03787	3.5
269.04599	15.8
270.04971	2.7
270.07773	4.5
385.18726	29.6
386.18933	2.6
431.09909	6.1
431.19427	27.8
432.19681	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	431.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89427	0.5
55.01775	0.8
57.03342	1.8
59.01265	100.0
60.01601	1.2
61.98720	0.7
64.26714	0.6
65.99151	0.6
69.03342	1.9
70.91438	0.7
70.91776	1.2
71.01271	21.5
72.99190	0.6
73.02836	28.2
83.01278	22.0
83.01784	0.9
85.02846	4.3
87.00781	1.4
89.02327	6.0
95.01292	1.3
97.02871	0.8
99.00790	0.9
99.04416	14.1
99.05071	0.7
101.02352	22.5
113.02360	11.9
119.03426	1.8
121.02898	1.0
125.02361	1.9
131.03423	2.1
143.03438	1.8
149.04466	1.2
153.09152	3.7
155.10776	0.9
161.02359	1.4
161.04517	4.7
163.07629	0.9
165.12778	4.3
179.05557	1.0
189.12820	2.0
206.80641	0.6
207.13892	8.8
208.14160	0.8
209.11835	36.1
209.15077	4.2
210.12091	2.2
225.14984	9.3
227.03473	2.6
231.14024	1.0
241.04950	0.9
251.12909	4.8
255.02968	3.1
267.15988	2.0
268.03714	1.7
269.04495	1.9
269.14005	99.3
270.14349	7.8
275.12854	2.3
283.06094	2.1
284.03375	2.2
285.04028	3.6
311.05768	3.6
311.15103	6.3
315.61050	0.8
341.15921	2.7
371.17062	9.1
371.20944	1.4
372.17331	0.8
389.21725	2.2
426.60339	0.8
431.09943	7.3
431.18970	24.1
432.10046	0.9
432.19162	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	431.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71613	0.3
57.03336	0.5
59.01267	100.0
60.01605	1.0
61.98715	0.5
69.03352	0.5
69.09094	0.3
69.86592	2.0
71.01274	1.9
71.95771	0.4
73.02847	0.8
74.24075	0.3
82.68525	0.3
83.01282	0.5
85.02862	0.8
86.78703	0.3
89.02345	0.7
97.06540	0.4
101.02368	1.4
111.08073	0.6
112.55617	0.3
113.02368	0.9
135.04539	0.3
145.02751	0.3
146.42068	0.4
158.78433	0.3
165.12817	5.0
177.12791	0.4
183.13890	8.4
184.14223	0.5
207.13924	0.7
209.11749	0.7
216.08026	0.4
221.15570	0.9
223.05753	0.4
227.03632	0.4
227.12898	12.8
228.13211	0.8
233.11911	0.4
249.15094	0.8
251.12961	1.4
255.03012	0.6
263.13071	0.6
265.14584	1.0
268.03790	0.4
269.04700	0.6
269.13974	1.8
275.12930	1.0
281.14014	0.5
283.06207	2.3
284.03455	0.5
285.04160	1.0
290.61093	0.3
293.14005	5.9
294.14508	0.5
311.05710	3.3
311.15332	0.5
312.06323	0.4
321.24460	0.8
339.16113	1.2
339.25525	0.7
357.26819	0.8
371.17151	1.7
412.00058	0.4
431.10251	2.6
431.15417	0.7
431.23868	0.6
431.30267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64840	0.9
55.01770	1.1
57.03339	2.3
58.00487	2.3
59.01266	100.0
60.01603	1.1
69.45033	8.2
71.01270	32.1
72.99205	3.2
73.02841	6.3
75.00774	1.6
83.01289	3.6
85.02843	8.8
87.00753	8.9
89.02341	42.0
93.03368	11.9
95.01289	3.1
96.95907	1.4
97.02838	1.4
98.20538	1.8
99.00800	3.1
99.04411	1.3
101.02339	27.7
108.02103	4.2
109.02879	2.9
113.02362	15.4
114.05546	1.2
119.03417	17.9
121.02894	1.4
122.03680	1.3
123.04479	4.9
125.02414	1.3
131.03445	2.9
133.02901	2.5
134.11322	1.0
137.06044	1.2
141.54695	1.1
143.03430	5.2
147.04462	1.7
149.04529	2.7
153.01851	1.4
159.04460	2.0
159.87111	1.0
161.04501	10.7
163.11293	1.1
165.09158	2.7
172.94847	1.0
175.04027	3.0
179.05580	30.5
179.10745	3.4
190.55991	1.1
205.12392	3.1
209.04468	1.9
209.11720	1.3
223.13440	6.3
225.06258	3.2
241.05127	5.8
242.05681	1.4
251.12997	1.7
255.06789	2.9
256.07556	2.7
265.05197	1.3
265.14490	3.1
266.05881	8.9
267.06696	7.1
268.03922	1.9
268.06708	1.0
269.04623	12.4
269.14975	1.1
270.05087	1.8
271.09824	6.0
282.05432	3.5
283.06210	2.1
284.06946	2.4
297.11331	4.8
299.09116	18.0
300.09540	1.8
327.08731	1.4
332.61597	1.0
341.10501	1.7
341.52277	1.1
369.10004	3.2
371.07947	4.4
371.21100	1.9
431.10016	32.6
431.14243	1.2
431.19250	16.7
432.10324	5.2
432.19522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01263	100.0
60.01600	0.9
61.98726	3.3
66.41036	0.6
71.01269	3.8
71.08939	1.1
73.02865	0.7
75.00773	0.7
80.50938	0.7
83.01352	0.6
85.02837	3.1
87.00792	0.9
89.02364	2.3
89.30186	0.6
99.04440	1.8
101.02342	3.0
111.00781	0.7
113.02379	1.6
113.81548	0.6
118.52825	0.6
119.66031	0.6
125.02352	3.3
131.03470	1.1
136.25931	0.5
137.07191	0.9
138.01918	2.2
138.05521	7.6
161.02391	2.2
161.04547	1.8
176.04799	1.7
179.03474	4.1
191.07162	1.0
194.05812	6.1
209.08188	17.5
209.10112	1.0
210.08542	1.4
257.31079	0.6
269.04602	1.4
269.10483	1.1
299.11487	1.6
431.15808	1.8
432.15536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52164	0.4
66.75839	0.4
71.05462	1.1
107.81377	0.5
148.05235	1.7
176.04659	0.5
182.86588	0.4
199.03955	0.4
213.05537	0.9
214.06352	4.9
215.06972	0.4
217.05141	0.4
255.10306	13.8
256.10672	0.8
258.15540	0.4
289.05399	0.5
291.10248	2.0
299.10895	0.5
301.08557	0.6
303.06598	0.9
308.03247	0.9
317.04794	0.5
319.06088	0.9
319.09769	10.8
320.07065	0.6
320.10373	2.5
326.09378	0.6
327.10501	0.7
328.11166	2.1
329.08301	0.5
330.05682	0.5
331.06201	1.9
331.09796	1.4
333.03949	0.9
336.10013	0.6
337.10886	20.7
338.11237	2.0
343.09726	1.0
344.10522	1.1
347.05542	2.7
347.09378	1.2
348.06375	1.9
349.07315	10.8
349.12341	1.4
350.07758	0.7
351.13943	0.5
353.08459	0.6
354.09219	0.5
357.07880	1.3
369.15085	0.5
371.09363	2.2
372.10217	3.4
373.10809	2.1
375.08826	0.9
377.11978	1.5
378.12772	1.9
380.10669	1.3
389.10388	18.5
390.11026	3.9
395.12970	6.1
396.13318	0.5
403.15659	0.8
413.13965	1.6
431.15082	100.0
432.15399	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	431.1508
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
51.48498	0.3
54.83176	0.3
58.21208	0.3
60.11407	0.3
70.63461	1.2
71.19273	0.3
73.21621	0.3
98.19946	0.3
145.81728	0.4
148.05287	1.9
148.06236	0.3
166.27472	0.3
212.04636	0.4
213.05580	0.8
214.06340	5.5
215.06917	0.7
250.06305	0.5
255.10286	10.7
256.10706	0.9
275.07184	0.4
289.05246	0.4
291.10345	2.3
293.05051	0.4
293.08307	0.9
296.07224	0.5
299.10858	0.3
299.26996	0.3
301.08594	0.6
303.06763	0.8
308.03305	0.8
313.08820	0.5
315.10281	0.4
316.03781	0.5
317.07849	0.5
319.06061	0.8
319.09796	13.3
320.10342	3.3
321.07486	0.5
325.08868	0.5
327.10214	1.4
328.11145	2.2
329.08102	0.8
329.11618	0.4
330.05237	0.5
331.06134	1.4
331.09860	1.3
333.04092	1.4
333.07809	0.7
334.04825	0.4
336.10205	0.5
337.10873	19.9
337.50153	0.4
338.11456	1.7
343.09805	1.0
344.10519	1.0
347.05637	1.9
347.09311	0.7
348.06448	2.0
349.07236	9.3
349.12354	1.9
350.07471	0.8
351.10095	0.5
353.08124	0.5
354.08978	0.8
355.09818	0.7
357.07730	1.2
361.07172	0.5
361.11038	0.8
366.12674	0.4
367.13699	0.5
369.15030	0.7
371.09375	1.9
372.09976	3.3
373.11026	1.9
374.08087	0.4
375.09009	0.9
377.11826	1.0
378.12653	2.1
380.10632	1.4
381.11285	0.5
389.10376	16.8
390.10980	4.1
394.12073	0.4
395.12921	7.2
396.13284	1.1
403.15329	0.5
413.13937	1.3
420.40024	0.4
431.15057	100.0
432.15408	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	431.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81762	0.4
59.01265	9.1
59.05167	0.4
61.98715	1.0
71.01275	0.6
71.26559	0.4
71.26881	0.8
74.72887	0.4
76.69035	0.4
78.95823	0.4
93.14764	0.4
96.95917	0.6
101.02250	0.5
113.02287	0.5
117.03274	0.5
121.67169	0.4
145.02971	0.5
147.04443	0.4
149.06015	1.9
186.06595	0.5
191.07088	1.7
213.05473	0.7
213.23390	0.5
214.06340	3.9
215.07130	0.9
225.05550	0.7
227.10712	0.5
237.09218	0.8
238.06317	0.5
239.07088	1.0
240.07884	0.5
241.08765	2.2
249.05595	0.5
251.07076	0.7
253.08788	0.6
255.10295	7.0
256.10535	0.4
264.04413	1.0
265.05286	0.6
267.06888	0.5
267.10410	1.8
268.03815	0.9
269.04556	1.2
277.05237	0.7
279.06821	0.4
280.03769	1.2
281.04675	2.9
281.07422	0.6
282.05298	0.5
283.06067	2.0
292.03860	1.0
293.04608	5.1
293.08005	1.0
294.05078	0.6
295.06155	3.8
296.06952	7.1
301.05054	0.9
302.05835	0.6
303.06714	1.0
304.07504	1.0
305.04803	1.0
305.08038	0.6
306.05344	0.6
307.06381	0.9
307.09845	3.2
307.12894	0.5
308.03232	2.6
311.05539	3.1
315.06735	1.0
317.04547	1.5
317.08060	0.6
318.05194	0.6
319.06122	1.4
319.09833	1.4
320.10373	0.5
321.07706	1.4
329.04651	0.5
329.08270	1.2
331.06357	2.1
332.06888	1.0
333.07709	2.4
336.09943	0.5
337.10922	1.9
343.06088	1.0
343.09842	0.9
344.10480	0.8
346.04684	1.0
347.05554	0.8
347.09244	1.7
349.07166	3.7
355.09943	0.7
357.07776	3.1
360.06342	0.9
361.07269	3.6
361.11163	1.1
362.07465	0.7
362.11401	1.2
369.07532	1.0
371.09180	1.4
371.21063	0.5
372.09933	1.8
373.11142	2.3
375.09015	2.0
383.09219	0.5
385.10693	0.5
389.10318	4.7
390.11038	2.8
395.13113	0.7
413.14127	0.8
431.15073	100.0
432.15445	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	431.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65022	0.4
56.98374	0.6
59.01006	0.8
59.01267	10.5
61.98719	1.1
65.44365	0.5
71.01263	0.8
71.04882	0.7
71.56284	0.7
83.01264	0.6
85.75859	0.5
91.37040	0.5
93.94993	0.4
96.95891	0.5
102.97538	0.4
104.11059	0.5
145.02901	0.8
148.05205	0.7
149.06000	2.5
152.99405	0.7
163.03969	0.7
168.54567	0.5
186.06799	0.5
196.17316	0.5
199.04025	0.8
202.06343	1.2
213.05591	0.7
214.06320	5.2
215.07115	1.0
241.08730	1.0
255.03081	0.6
255.10303	5.7
263.20267	1.6
269.08328	0.8
277.05273	0.6
280.07620	0.8
283.06110	1.1
291.10333	1.3
293.08096	0.7
301.08688	0.8
303.06827	1.0
304.07373	0.8
305.04749	0.5
305.08215	0.8
307.06238	0.5
308.03271	0.8
309.07690	0.5
311.05722	1.7
313.08588	0.7
315.10260	0.9
316.04120	0.6
317.04480	0.7
317.08029	0.5
319.06070	0.8
319.09769	7.0
320.06888	1.2
320.10370	1.3
321.07666	1.1
322.08597	0.9
328.07614	0.6
328.11279	0.8
329.08252	1.9
331.06213	1.4
331.09772	0.7
332.03333	0.6
333.04059	2.2
333.07712	1.7
334.04703	0.8
337.10886	16.4
338.11172	2.1
341.06757	0.6
343.09781	1.0
344.10611	1.6
345.11169	0.7
346.08423	0.9
347.05643	0.7
347.09451	1.6
348.06531	2.7
348.10144	0.6
349.07193	8.9
350.07361	0.8
354.08838	0.8
356.06769	0.8
357.07773	4.6
359.05487	0.6
359.29810	1.1
361.07254	2.7
361.11093	1.2
362.08054	1.7
367.13260	0.7
371.09399	2.5
371.21323	0.6
372.10107	8.4
373.07166	1.5
373.10727	2.1
374.07968	1.6
375.08728	2.7
388.09778	1.1
389.10410	32.0
390.11069	11.3
391.11331	0.9
395.12988	2.8
396.13306	0.6
403.15738	1.0
413.14142	2.3
430.03937	0.6
431.15088	100.0
431.27661	1.9
431.31998	12.3
432.15424	13.0
457.27213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1509
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
53.16101	0.8
55.67172	0.8
57.07868	0.9
58.93673	0.8
59.01264	21.5
69.31333	1.1
70.59780	3.1
71.01240	1.1
79.70393	0.9
89.02298	0.9
135.04448	1.2
148.01620	4.5
149.06000	4.1
152.99518	1.4
159.04526	1.3
161.85040	0.8
170.84358	1.1
173.06041	0.9
195.04448	1.1
213.09250	2.0
214.06361	2.1
217.04999	2.8
225.09229	2.1
241.08725	1.5
255.10301	8.5
256.10837	1.0
265.08841	1.4
273.09210	1.1
277.08755	1.6
278.09601	1.9
283.06235	1.9
291.10367	3.4
292.11188	1.2
299.36328	1.0
301.08633	2.0
303.06674	1.5
303.10080	1.1
304.11218	1.2
305.08331	2.1
305.11859	2.2
308.07056	1.7
309.07657	1.7
311.05688	3.5
311.65979	1.1
316.07410	1.0
317.08240	2.3
319.06409	1.5
319.09811	10.2
320.10342	1.8
321.07599	1.6
327.10428	1.7
328.11026	1.6
329.08337	6.1
330.08890	1.7
331.06244	1.9
331.09741	2.5
332.06772	2.0
333.07700	4.1
333.11499	1.9
334.12195	3.4
337.10901	13.4
338.11050	1.1
343.09756	1.6
344.10495	4.2
345.07516	1.3
345.11328	1.7
346.08667	2.5
347.05640	1.6
347.09314	8.5
348.09879	1.6
349.07333	7.5
356.10483	1.3
361.10837	5.4
362.11688	11.0
371.08890	1.8
371.12973	4.1
371.20764	1.4
372.10056	2.6
373.10590	3.3
385.14725	1.6
387.32852	1.9
389.10318	11.8
390.11047	11.4
391.11633	1.2
395.13004	4.0
403.15564	16.3
404.15970	1.9
410.06329	1.2
413.14075	7.1
413.30466	1.2
414.14587	1.2
431.15103	100.0
431.31888	51.9
432.15344	13.5
432.32053	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	431.0995
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.22916	0.3
57.03330	0.7
59.01266	19.7
69.24482	0.3
71.01273	4.5
71.04896	0.5
71.50978	0.7
73.02837	3.3
78.58129	0.3
79.33140	0.3
83.01268	1.2
85.02844	0.9
87.04408	2.7
89.02341	1.5
93.03349	0.5
95.01313	0.3
101.02335	4.2
107.01310	0.7
113.02368	2.1
117.03411	0.5
119.03408	0.9
122.97289	0.3
125.02323	0.7
131.03473	0.4
143.04871	0.4
151.00313	0.9
153.09108	1.3
159.04445	0.4
161.04503	1.0
163.00224	0.4
178.99805	0.5
183.04388	0.9
185.06026	0.6
187.03998	0.9
199.03897	0.4
209.15550	0.8
211.03983	1.4
213.05582	0.8
214.41570	0.4
227.03505	64.7
227.16714	0.5
228.03853	4.8
229.05083	2.3
239.03531	0.6
241.05058	0.6
255.03033	74.7
256.03595	12.7
257.04590	1.3
269.14816	0.6
269.17578	3.9
283.06299	0.5
284.03329	63.1
285.04065	39.4
286.04459	2.6
301.07541	0.4
311.05789	0.7
371.20892	1.1
372.20956	0.4
389.21771	0.4
395.20374	0.4
403.55573	0.4
431.09921	100.0
432.10266	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	431.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62595	0.2
59.01265	3.5
61.98718	1.1
63.02287	0.6
63.76946	0.1
64.27798	0.1
64.99928	0.2
65.00228	0.5
70.14372	0.8
70.50941	0.2
71.01261	0.6
83.01273	0.8
89.02348	0.5
93.03337	0.1
101.02343	0.4
105.04677	0.2
107.01289	1.4
108.16537	0.2
113.02480	0.2
117.03336	1.6
123.00823	0.2
131.07408	0.1
137.02289	0.1
148.01587	0.4
148.61938	0.1
149.02388	1.1
149.99567	0.5
150.99156	0.2
151.00322	3.0
152.00624	0.2
169.01456	0.3
171.04478	0.5
172.05254	0.5
183.04434	0.5
184.05211	0.4
195.04451	0.3
196.05263	0.7
199.03870	0.2
200.04726	0.6
201.05521	0.4
211.03975	1.3
212.04794	0.8
224.04878	0.2
225.05508	0.4
227.03636	0.2
239.03488	3.0
240.04280	3.4
241.04671	0.4
267.03067	1.6
268.03821	100.0
269.04514	33.6
269.14014	0.5
270.04907	2.4
281.04617	0.4
283.06198	0.7
311.05652	1.8
341.06833	0.3
431.09912	65.0
432.10266	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	431.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	20.8
60.01599	0.2
63.02282	0.3
63.63107	0.2
63.96683	0.1
69.44588	1.6
73.02824	0.4
75.12345	0.2
83.01292	0.4
85.02838	0.5
87.00756	0.2
89.02332	0.6
91.01785	0.3
93.03358	1.3
101.02341	1.0
107.01299	1.3
109.02853	0.6
113.02353	0.6
117.03391	0.3
119.01275	0.2
125.02301	0.4
125.41146	0.2
132.02086	0.8
135.00809	1.2
143.04959	0.7
145.06468	0.2
150.14014	0.2
151.00337	1.0
153.01933	0.4
154.04187	0.2
157.06548	0.6
158.03728	0.2
159.03168	0.2
159.04466	1.1
161.02414	0.3
161.04491	0.9
163.00317	1.9
164.01093	0.4
165.01869	0.5
167.04984	0.3
169.06532	0.5
171.04472	0.6
173.06024	0.2
175.04070	0.2
178.99864	0.3
183.04526	1.2
184.05397	0.2
185.06105	1.5
187.03972	2.4
189.05542	0.6
190.99806	0.3
195.04436	0.7
196.05295	0.2
197.06009	0.7
199.04001	0.9
200.04680	0.3
201.05544	0.4
207.13966	0.4
209.11798	0.3
211.03981	2.4
212.04472	0.2
213.05531	1.3
214.02728	0.3
215.03523	0.5
223.04111	0.3
226.02690	0.3
227.03500	38.5
228.03886	2.7
229.05064	8.9
230.05450	0.5
239.03508	1.6
240.04285	0.6
241.05083	1.3
243.03099	0.3
253.05070	0.2
255.03026	54.9
256.03604	7.1
257.04581	5.6
267.03030	0.6
268.07446	0.2
269.14020	3.3
270.14505	0.2
281.04553	0.5
283.02438	0.4
284.03323	57.6
285.04086	100.0
286.04446	8.4
308.35968	0.2
311.05768	0.2
327.05161	0.4
341.06729	0.5
371.20752	1.4
431.09894	62.7
432.10233	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	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23896	0.7
59.01263	100.0
59.09109	0.8
61.98719	1.3
63.09676	0.8
71.01270	2.2
71.56303	1.3
75.02888	0.7
80.96040	0.7
82.08350	0.8
89.02320	1.5
91.03883	2.1
108.21027	0.9
113.02338	1.1
114.27079	0.7
119.49499	0.7
149.06010	1.5
183.93994	0.7
186.03696	0.7
195.13876	0.9
243.10321	1.0
277.21884	1.0
295.22876	10.8
429.21353	1.2
429.25555	1.3
429.30994	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3384
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
58.12757	0.1
59.01266	1.4
60.81310	0.1
69.93125	0.6
71.01281	0.2
89.02335	0.2
96.07167	0.1
110.08029	0.1
128.13803	0.1
141.90425	0.1
150.55191	0.1
154.04323	0.1
164.18204	0.1
195.89020	0.1
429.33829	100.0
430.34177	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	431.0992
Annotation	Vitexin
Peak:m/z	Relative Intensity
51.45438	0.8
54.93557	0.8
56.66949	0.8
59.01252	2.1
64.87589	0.8
70.75018	2.8
75.39678	0.9
75.62846	0.9
77.03848	4.3
79.01787	2.3
93.03349	2.6
105.03393	1.1
117.03379	15.2
119.04967	1.9
121.02850	3.4
135.04465	2.2
137.02426	0.9
142.24010	0.9
149.02333	2.5
159.04454	3.3
161.02365	6.2
163.03954	5.4
165.01881	1.0
173.02458	1.3
191.91115	1.0
211.07683	1.2
225.05649	1.1
239.07138	3.0
268.03842	4.1
269.04572	3.6
281.04639	3.7
282.05347	2.2
283.06189	61.5
284.06467	7.9
293.04541	2.5
295.06189	2.9
309.03821	1.2
311.05676	100.0
312.05997	8.4
314.04221	1.3
323.05658	4.3
341.06873	8.3
342.06750	1.1
413.08365	1.2
431.09918	59.6
432.10379	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	429.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
57.03334	0.3
58.00490	0.4
59.01264	100.0
60.01598	1.1
60.87436	0.2
61.98713	0.2
64.58485	0.1
66.57746	0.2
70.93408	0.4
71.01270	10.1
72.99200	0.7
73.02843	0.8
75.00745	0.2
79.58563	0.2
80.30516	0.2
83.01294	0.5
85.02839	1.8
87.00784	0.5
89.02338	14.9
90.02647	0.2
92.84312	0.1
95.01310	0.6
97.02867	0.1
99.00776	0.3
101.02346	5.1
102.02700	0.2
113.02348	4.4
115.79133	0.1
119.03425	5.8
119.04258	0.3
120.03835	0.2
121.06535	0.2
131.03412	0.8
131.40100	0.2
137.09662	2.1
143.03419	1.5
149.04550	0.7
161.04500	1.7
172.30092	0.2
179.05582	4.3
186.44360	0.2
189.12889	0.2
205.12372	0.4
223.13564	0.2
249.11377	0.2
267.12561	0.4
283.06241	0.2
339.05573	0.2
369.06238	0.2
429.08575	0.4
429.21744	0.4
432.48990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00518	0.4
59.01265	100.0
60.01587	0.8
61.98720	1.0
66.03486	0.4
66.67343	0.4
69.32147	2.5
69.32583	2.9
71.01284	1.5
88.40621	0.6
89.02355	2.1
91.03912	2.3
101.02377	0.6
113.02286	0.6
113.84122	0.6
119.03448	0.6
149.05986	0.9
179.05711	0.5
215.94681	0.6
239.48987	0.7
277.21835	1.1
295.22839	10.1
296.23358	0.9
429.25977	1.1
429.30408	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	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.3
58.00474	0.4
58.69043	0.2
59.01265	100.0
60.01604	0.9
60.25261	0.2
69.61022	1.0
69.61444	0.9
71.01273	5.7
72.99209	0.3
73.02844	0.8
83.01256	0.5
85.02837	1.5
87.00774	0.5
89.02337	5.7
89.02843	0.4
92.84107	0.3
95.01289	0.3
98.20567	0.3
99.00828	0.3
101.02349	2.9
113.02347	2.4
119.03423	2.1
125.02380	0.4
131.03491	0.3
137.09666	0.3
143.03462	0.7
149.04530	0.3
161.04501	1.7
179.05577	2.8
207.13861	0.4
249.11324	0.3
267.12668	0.4
369.19388	1.1
387.20370	1.5
429.21552	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	429.2139
Annotation	Dendroside F
Peak:m/z	Relative Intensity
50.00852	0.3
55.84413	0.3
57.03347	0.5
58.00484	0.9
59.01266	100.0
59.32527	0.3
60.01594	0.7
61.98714	0.5
71.01271	8.8
71.05915	0.9
72.99204	1.6
73.02834	0.9
83.01304	1.4
85.02406	0.3
85.02866	1.5
85.91796	0.3
87.00770	0.6
89.02341	13.7
95.01322	0.4
97.02879	0.4
101.02351	14.2
101.05254	0.3
102.02681	0.3
108.02071	0.8
113.02364	2.8
119.03421	9.1
131.03430	0.6
143.03497	0.9
161.04483	2.1
165.12854	1.2
177.40962	0.3
179.05565	3.7
207.13893	5.5
208.14119	0.3
219.14014	1.0
221.15511	1.0
223.15242	0.4
223.17130	1.8
231.13954	1.2
249.15012	1.7
255.03152	0.7
267.16266	2.1
284.03531	0.5
291.16095	0.4
298.18533	0.4
345.86285	0.4
429.08371	1.1
429.21143	2.0
446.30917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.4
58.00484	2.7
59.01266	100.0
59.98403	1.0
60.01620	1.5
60.90614	0.8
63.70315	0.7
70.17788	3.2
71.01272	31.8
72.01622	1.1
72.99215	2.3
73.02847	3.3
78.20201	0.7
81.07012	1.1
83.01282	2.3
83.04925	1.2
85.02847	7.7
87.00790	3.1
89.02341	32.4
90.02647	1.2
95.01308	3.1
95.04924	1.0
96.11266	0.6
97.02891	1.1
99.04424	6.3
101.02355	16.2
107.04922	0.9
111.04445	1.4
113.02354	13.3
113.03088	1.4
119.03419	12.1
131.03377	1.0
133.06538	1.2
135.04424	1.0
138.21649	0.8
143.03429	2.3
149.04501	1.5
158.60794	0.7
161.04469	2.3
161.09663	1.4
161.13313	17.8
162.13591	1.2
163.11182	0.9
179.05574	4.8
185.13254	0.7
187.11273	3.0
189.09198	0.9
193.93388	0.7
196.08284	0.7
203.10745	1.1
205.12331	32.9
206.12642	2.9
207.10286	2.3
223.13391	22.7
224.13719	1.4
229.12325	1.3
237.09061	0.8
249.11365	69.7
250.11688	5.4
263.25171	0.7
267.12430	14.6
268.12747	0.8
309.13651	0.8
429.17676	42.9
430.18182	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03342	1.8
58.00486	3.0
59.01265	100.0
59.98381	1.2
60.01607	0.9
67.93639	0.9
69.66753	5.5
71.01270	47.1
72.99194	3.5
73.02839	3.9
81.06990	1.2
83.01263	2.5
85.02841	9.9
85.55605	0.9
87.00769	2.7
89.02337	44.8
95.01297	3.3
96.49674	0.8
97.06504	0.8
99.04405	5.8
99.80307	0.8
101.01706	1.7
101.02346	24.4
107.04913	1.8
110.76791	0.9
111.04442	3.3
112.96504	0.8
113.02356	19.2
119.03416	25.1
119.04257	1.3
120.07080	0.8
127.60987	0.9
131.03423	2.8
137.09497	0.9
143.03468	4.5
143.96577	0.8
145.06628	0.9
149.04407	2.4
161.04552	4.6
161.09677	1.3
161.13313	15.5
162.13622	0.9
179.05591	10.2
187.11208	4.2
190.91658	0.9
205.12321	56.4
206.12567	4.2
207.13922	3.3
217.16481	1.0
223.13382	12.6
231.10501	0.9
242.16467	1.0
249.11353	65.3
250.11661	6.0
267.12424	9.7
268.13028	0.9
369.19336	1.2
387.20004	1.2
429.08817	1.4
429.17596	26.1
430.18134	2.5
433.94653	0.9
437.48914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44292	0.4
59.01262	2.5
61.45105	0.4
68.74217	0.4
70.80318	0.8
70.80647	0.7
71.01261	0.6
93.42802	0.3
99.00780	0.7
99.92482	4.6
100.14526	0.4
100.93237	2.0
115.91990	100.0
116.91996	5.3
116.92779	6.0
132.92278	1.2
155.95125	0.5
172.95433	5.7
255.23218	0.5
270.58755	0.4
292.56204	0.4
355.15854	0.5
371.15588	0.5
381.17438	0.8
413.31241	0.4
429.19565	6.2
430.19644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63210	0.2
57.03338	3.0
58.00486	0.6
59.01263	100.0
60.01601	0.9
64.96192	0.3
68.19833	0.3
69.03352	0.4
70.97872	0.7
71.01268	12.7
71.04909	0.9
72.99201	0.8
73.02837	4.0
79.05441	0.3
81.03412	0.2
83.01277	2.4
83.04907	0.8
85.02839	4.0
87.00770	3.8
89.02334	10.1
90.02811	0.2
91.73844	0.2
92.73722	0.2
95.01321	1.2
95.04929	0.5
97.02847	0.5
97.06493	3.6
98.06833	0.2
99.00822	0.4
101.02346	7.1
105.07008	0.4
107.04929	8.8
107.05643	0.5
108.05325	0.4
109.06472	0.5
113.02354	6.4
118.24641	0.2
119.03413	2.7
120.05729	1.5
125.02339	0.4
131.03458	0.8
135.04459	2.0
138.06792	2.1
141.05498	0.8
143.03342	0.5
146.07329	0.3
147.08012	0.2
149.04440	0.4
152.04684	0.5
153.08008	0.5
153.09152	5.4
154.09471	0.3
157.06598	0.3
159.08121	0.6
159.11697	0.8
161.04488	2.0
161.09660	6.7
161.13297	2.9
162.09988	0.6
163.06113	0.4
163.11176	1.2
169.10158	0.3
179.05540	1.2
185.13318	0.5
187.11255	9.5
188.11655	0.6
189.09180	2.8
203.10689	1.8
205.12341	3.4
206.12666	0.3
207.10236	1.8
207.13768	0.6
223.13396	36.5
224.13742	2.2
225.14938	7.7
226.15266	0.6
229.12332	0.8
231.10323	0.4
249.11351	3.9
266.02173	0.6
267.12421	37.3
268.12784	3.0
291.12393	0.7
297.13486	0.8
309.13400	1.0
369.15366	0.6
369.19345	1.0
387.20267	0.9
429.17450	5.2
450.75806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
56.67956	0.5
57.03332	1.8
58.00480	1.5
59.01265	100.0
60.01618	1.0
69.40309	4.1
71.01270	20.2
72.99201	1.6
73.02835	3.5
81.07004	0.8
81.65144	0.4
83.01303	1.5
85.02842	3.8
87.00801	1.5
89.02339	21.8
93.46488	0.4
95.01311	1.7
95.80856	0.5
97.06520	1.0
99.04436	2.2
101.02350	10.2
107.04957	1.6
108.62637	0.4
113.02354	7.8
114.28606	0.4
119.03424	7.9
125.06052	0.6
131.03464	1.0
135.04512	0.7
143.03462	1.9
149.04431	0.8
161.04492	2.4
161.09743	1.4
161.13316	7.0
162.13702	0.5
163.11151	0.7
168.53360	0.5
179.05580	3.4
185.13564	0.5
187.11292	2.4
205.12320	9.3
206.12569	0.9
207.10365	1.0
223.13419	10.6
224.13773	0.7
239.35959	0.5
249.11346	24.7
250.11852	1.4
254.98654	0.5
267.12427	15.8
268.12888	1.1
309.13571	0.6
369.19473	0.6
429.17590	11.7
430.18411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23185	0.5
55.01765	0.6
57.03337	1.8
59.01262	100.0
60.01607	1.2
61.98716	2.4
71.01266	9.2
71.04930	0.7
71.31699	0.7
71.32026	0.9
72.99200	0.6
73.02841	1.9
77.39401	0.5
83.01289	1.8
85.02859	2.3
87.00780	2.2
89.02327	8.5
89.02848	0.7
95.01262	0.7
97.06499	1.5
101.02337	5.6
107.04938	2.7
113.02352	3.9
116.04594	0.5
117.03427	1.1
118.84779	0.5
119.03417	3.6
120.05740	0.9
135.04500	1.2
143.03503	0.8
149.04456	0.7
150.01964	0.5
161.04538	1.2
161.09656	3.6
161.13297	2.4
163.11301	1.1
179.05653	2.1
187.11270	4.0
189.09209	1.7
205.12320	12.1
206.12617	1.0
207.10326	1.3
223.13391	28.5
224.13834	1.9
225.15102	0.7
229.12375	0.6
249.11299	5.3
267.12424	43.7
268.03928	0.7
268.12711	2.9
282.05551	1.0
283.06256	2.1
283.17068	0.5
297.13498	0.8
309.04260	0.6
309.13535	1.2
323.05945	0.7
339.05072	3.3
369.06107	4.3
387.20261	1.0
429.08438	9.5
429.17578	5.1
430.08673	1.7
430.18289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42820	0.8
59.01264	39.0
61.98707	2.6
69.35498	3.1
69.35921	5.6
71.01271	6.6
72.80363	0.8
72.99185	1.1
73.02850	1.1
82.18435	0.7
83.01294	1.3
85.02852	4.0
87.00783	0.9
89.02331	7.1
93.91988	0.8
97.06416	0.7
98.11085	0.8
98.19841	1.9
101.02335	4.8
107.04947	2.1
107.82435	0.8
109.06431	0.9
113.02351	3.1
119.03408	3.4
121.02849	1.1
140.18130	0.9
141.94611	0.8
157.03262	0.8
159.04401	1.3
161.04417	1.4
163.11243	1.4
177.12863	5.5
179.05486	0.9
179.14363	35.2
180.14656	2.5
190.42975	1.0
203.14401	4.7
205.12291	2.9
223.13393	65.7
223.17023	4.7
224.13739	4.5
229.12286	0.9
239.90836	0.9
239.93402	0.8
247.13420	3.3
249.11444	2.4
267.12424	100.0
268.12781	6.0
309.13510	6.6
317.08075	1.0
343.09854	1.2
359.09052	1.2
359.76733	1.1
360.10233	2.7
388.09573	2.4
401.14011	6.3
414.11191	1.0
429.13306	2.8
430.13715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98071	0.8
59.01262	22.7
61.98722	1.5
62.71135	0.8
70.00244	4.9
71.01272	3.3
74.58337	0.8
75.00754	2.0
85.02831	1.1
85.79275	0.8
89.02340	1.7
89.20575	0.8
96.95905	3.2
101.02308	1.5
109.02858	2.6
119.03413	0.9
135.04466	3.0
146.03653	3.1
147.04478	5.2
148.05244	1.4
149.06015	10.3
150.03140	1.0
159.04425	6.8
161.02374	3.2
161.04820	1.1
161.05986	6.1
162.03227	0.9
163.07578	2.4
172.05238	2.7
173.06032	15.9
174.06844	4.9
175.03928	1.9
175.07587	12.0
186.06769	0.9
187.07602	8.0
188.08322	2.7
189.05544	5.5
189.09180	2.2
190.06407	3.9
191.07080	3.0
199.07625	0.9
201.05524	1.4
201.09225	4.1
203.07507	1.0
203.10771	11.1
215.10719	1.0
226.97049	0.9
229.11935	0.8
254.90874	0.8
270.27979	0.9
278.05722	0.9
293.08429	0.8
295.09735	1.6
306.09204	2.0
323.09396	1.2
323.12909	2.6
335.12985	3.1
355.22772	3.3
365.17755	3.9
391.29126	1.0
393.17151	100.0
394.17477	13.4
411.18201	14.4
412.18433	2.1
429.26511	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54333	0.8
56.19112	0.6
59.01268	17.1
60.05310	0.7
61.98711	1.5
67.97703	0.7
69.91275	2.6
69.91690	1.4
71.01264	9.2
72.99199	1.2
89.02351	2.7
96.95920	1.4
109.02873	1.7
113.02325	0.8
115.00282	19.3
126.02254	0.7
133.01355	42.9
134.01711	1.2
135.04448	3.5
145.02869	1.2
146.03673	10.2
147.04466	5.9
148.05209	1.1
149.02357	1.1
149.06020	41.0
150.03177	2.6
150.06393	2.1
159.04468	5.5
160.05220	1.4
161.02400	1.5
161.06046	3.9
162.03186	2.1
163.03937	1.8
163.07649	2.8
165.05528	0.7
171.04346	0.8
172.05222	2.4
173.02409	2.3
173.06026	9.2
174.03215	4.7
174.04507	0.7
174.06769	3.1
175.03929	4.3
175.07556	3.2
176.04750	1.6
185.06049	2.3
185.30580	0.8
186.06831	1.0
187.03996	6.5
187.07559	0.8
187.38216	0.7
188.04759	19.8
189.05463	4.1
189.09117	1.4
190.06360	3.7
191.07129	5.8
199.07599	0.9
200.08289	1.5
201.05540	7.0
201.09189	9.5
202.06319	6.3
203.07086	4.1
203.10803	3.0
204.07895	1.0
205.75047	0.8
213.05582	0.8
213.09256	1.5
214.06226	0.8
215.10832	3.8
229.08743	1.4
243.10300	12.1
291.06900	0.9
291.60324	0.8
294.08847	1.8
321.40594	0.8
323.09363	2.5
323.12872	0.9
335.12909	2.0
352.13284	1.0
364.13171	2.5
393.17157	100.0
394.17514	14.7
407.80096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1352
Annotation	Stypandrol
Peak:m/z	Relative Intensity
52.22607	0.4
59.01263	9.3
59.17743	0.3
61.98717	0.7
70.49453	0.4
71.01270	1.1
89.02347	1.1
96.95925	0.6
98.19819	0.8
101.02349	0.7
119.03412	0.5
149.06003	0.9
160.92279	0.4
161.04517	0.4
184.96574	0.4
199.04004	0.5
220.83054	0.3
267.06525	0.4
287.52252	0.4
299.07037	0.4
299.11130	0.4
301.05252	0.6
304.04083	1.8
315.06659	0.8
315.10327	0.4
316.07404	0.5
317.04626	0.8
317.08295	2.1
317.56192	0.4
318.05243	0.6
327.06717	1.1
328.04092	0.4
328.07489	0.7
329.04919	0.5
329.08273	0.8
330.05328	1.1
331.06122	1.0
332.03351	2.8
332.06839	0.5
333.03909	1.1
339.06757	0.5
341.04657	0.5
342.05280	0.7
343.06183	1.6
343.09860	1.3
344.06885	1.4
345.04074	0.8
345.07748	3.6
354.05136	0.5
355.05960	0.5
355.09747	0.4
356.06952	1.5
357.04062	3.6
357.07870	1.6
358.04749	2.3
358.08734	0.5
359.05554	1.7
360.06033	0.5
360.10089	1.9
369.07687	0.8
370.04584	1.7
370.08838	0.6
371.05566	4.4
371.09473	1.4
372.05939	0.6
372.10016	1.1
373.07230	19.8
373.14481	0.7
374.07556	2.7
383.05380	2.0
384.06406	1.7
385.07257	15.9
386.07874	3.6
387.08768	2.8
388.09659	2.0
397.07022	0.5
399.08835	9.4
400.09247	1.4
401.14325	2.0
402.14215	0.5
413.10312	0.7
429.13507	100.0
430.08002	0.8
430.13879	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01596	0.9
61.98732	0.9
70.35541	2.1
71.01269	6.6
73.02846	0.8
78.40365	0.5
78.95802	3.9
80.31252	0.6
81.03347	0.6
82.05621	0.5
85.02878	1.1
89.02348	6.6
91.03913	0.9
97.02872	0.6
100.07264	0.6
101.02351	1.9
113.02389	1.2
125.02351	1.3
131.03455	1.5
133.06531	4.4
149.04544	1.2
152.99556	0.5
156.96129	0.5
173.06094	0.6
173.19508	0.5
222.08315	0.5
235.16994	3.4
248.96381	0.8
258.09119	0.5
275.20203	6.7
290.97345	0.9
293.09030	1.6
293.21326	4.3
344.94659	1.3
357.55032	0.6
427.18918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.63300	0.6
60.01596	1.7
61.98723	0.8
69.94400	2.7
71.01260	4.8
80.03329	0.6
84.82933	0.6
85.02908	0.9
89.02335	5.7
93.08480	0.5
97.02855	0.6
101.02367	1.3
110.91107	0.6
113.02431	0.7
117.18632	0.6
125.02380	1.6
131.03447	0.9
133.06519	3.5
142.56717	0.6
149.04494	1.2
181.03235	0.8
213.99802	0.7
240.50230	0.5
290.97238	0.9
293.08929	1.7
324.77243	0.6
423.77936	0.6
427.28510	1.4
451.05597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83096	0.3
59.01264	100.0
60.01595	0.8
61.98719	0.8
69.03347	0.7
71.01273	5.4
71.62331	0.5
72.19604	0.3
81.03390	0.4
83.01340	0.4
85.02859	0.8
89.02342	5.1
91.03902	3.1
97.02880	0.7
97.71129	0.3
101.02377	1.7
113.02380	1.0
125.02345	1.8
131.03423	1.0
133.06534	3.5
141.96814	0.3
149.04532	0.9
151.48352	0.3
154.16301	0.4
161.04474	0.4
171.10182	0.5
191.05710	0.7
195.13922	0.7
223.13387	0.4
275.20248	1.8
288.22385	0.4
290.97354	0.7
293.08847	0.8
293.21292	12.5
293.24432	0.6
294.21790	1.0
344.94836	0.7
402.73413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
56.83657	0.3
57.03065	0.3
57.03329	2.3
58.00489	0.9
59.01265	100.0
60.01608	1.1
61.98721	0.6
69.03339	1.7
69.48498	1.4
69.48910	0.8
71.01270	22.1
72.01646	0.5
72.99190	1.4
73.02836	8.6
75.00756	0.7
79.06560	0.3
81.03347	0.4
83.01279	4.0
83.04916	0.5
85.02842	6.7
87.00784	1.9
89.02338	9.3
95.01310	1.0
96.95921	0.3
97.02860	0.9
99.00783	1.8
99.04405	0.4
101.02346	10.6
102.02692	0.5
102.08447	0.3
103.00230	0.3
107.04956	0.9
111.08062	0.7
113.02363	6.0
114.02740	0.4
119.03422	1.8
122.84127	0.3
125.02365	3.1
129.01906	0.4
131.03441	2.1
133.06522	6.8
133.07471	0.5
135.08101	0.4
137.09653	0.7
139.07594	0.5
143.03448	0.8
149.04520	1.7
149.05659	0.3
151.11284	0.6
153.09120	0.3
153.12846	0.7
159.02939	0.5
161.04504	2.3
161.09740	0.5
163.11227	8.7
164.11670	0.5
165.09184	1.5
165.90897	0.3
171.08159	0.5
174.52159	0.3
177.09102	0.5
179.10835	0.9
181.12302	20.6
182.12672	1.2
187.11247	3.2
189.12784	3.5
190.09970	4.3
191.05640	0.7
191.10368	0.6
203.10818	0.4
204.11523	0.9
205.12321	7.4
206.12610	0.6
223.13373	2.5
229.12363	0.5
233.06786	0.7
247.13564	0.9
265.11020	0.3
293.08865	1.6
349.17010	0.4
367.17740	1.7
385.19006	1.2
407.47150	0.3
427.19647	3.0
428.19965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03347	2.7
58.00488	1.2
59.01266	100.0
60.01620	0.6
61.98717	0.4
69.03345	1.8
69.47337	2.6
71.01271	27.2
72.99207	1.3
73.02835	8.5
75.00771	0.7
81.03365	0.8
83.01270	3.8
83.04942	0.4
85.02847	6.7
85.99998	0.4
87.00768	2.5
89.02341	14.2
93.87424	0.3
95.01305	1.4
95.04922	0.3
96.95949	0.5
97.02869	1.9
99.00784	1.8
101.02346	11.0
107.04906	0.9
111.08065	0.6
113.02363	6.5
113.03089	0.5
119.03414	1.8
121.06502	0.4
125.02377	4.9
127.91659	0.3
129.01840	0.5
130.99773	0.4
131.03421	3.0
132.05740	0.4
133.06528	10.6
134.06850	0.4
135.04459	0.3
137.09709	0.8
139.04037	0.4
143.03461	1.0
149.04521	3.0
149.05592	0.4
151.11258	0.6
155.03537	0.6
159.02931	0.4
161.04494	2.0
161.09685	0.5
163.11234	8.3
164.11516	0.6
165.09204	1.0
165.12825	0.7
171.08116	0.5
177.09175	0.7
179.10736	2.0
181.12306	19.4
182.12572	1.7
187.11214	2.8
189.12825	3.9
190.09990	4.6
191.05568	1.7
191.10484	0.4
204.11572	0.7
205.03577	0.3
205.12321	7.9
205.14091	0.6
206.12631	0.5
223.13454	2.5
229.12372	1.0
233.06789	0.9
247.13376	0.6
293.08780	3.0
349.16693	0.7
367.17709	1.9
385.19025	1.1
427.20038	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
57.03331	1.0
58.00513	0.7
59.01264	100.0
60.01603	1.8
61.98721	1.3
67.28371	0.4
69.03357	0.8
71.01270	19.9
72.99203	0.9
73.02837	14.6
74.03168	0.5
83.01263	4.1
83.04942	0.7
85.02844	5.7
87.00782	1.3
87.39628	0.3
89.02331	5.1
90.19501	0.4
95.01303	1.3
95.04949	0.7
97.02861	3.0
99.00761	0.9
101.02343	14.4
101.03014	0.7
105.07034	0.6
108.05722	1.0
109.02897	0.5
109.06509	1.0
111.04442	0.5
113.01572	0.4
113.02351	10.2
113.05999	1.6
119.03453	1.2
122.03659	1.0
123.08080	2.3
125.02372	1.0
125.06004	1.8
131.03418	0.8
135.08080	0.5
136.05231	2.6
137.05983	0.7
138.06792	10.8
139.07617	4.9
142.25542	0.5
143.03444	1.3
149.04538	0.8
149.06021	0.7
151.07591	9.8
152.04761	1.4
152.08374	26.3
153.09154	65.5
154.09482	3.2
161.04524	5.3
161.09631	0.9
163.11258	1.8
165.09094	2.1
167.07097	1.2
179.05624	0.5
189.09201	0.5
190.09978	0.9
200.45921	0.4
201.43591	0.4
203.05681	0.8
205.12331	21.2
206.12712	1.1
223.13388	9.1
224.13724	0.9
230.58701	0.5
230.60727	0.5
265.10904	1.0
367.17630	8.9
368.18073	1.0
373.97992	0.4
385.18909	3.3
390.07288	0.4
410.55600	0.4
427.07114	0.8
427.20297	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69394	0.4
51.91455	0.4
54.21601	0.6
55.31354	0.4
57.03336	0.7
57.34700	0.4
59.01268	100.0
60.01601	1.3
60.92155	0.4
61.98718	1.7
69.03360	0.8
71.01274	11.5
71.63244	0.5
71.63628	0.6
72.99197	0.9
73.02856	1.8
75.00787	0.8
81.03312	0.5
83.01286	1.2
85.02859	2.8
87.00793	1.1
89.02342	10.3
89.02894	0.5
97.02866	0.7
99.00774	0.8
101.02361	3.4
113.02363	3.0
119.03371	0.7
121.02895	1.5
125.02383	3.1
131.03412	2.5
133.06511	7.3
146.08195	0.5
148.05257	5.1
149.04533	1.9
153.09201	1.6
157.80060	0.4
161.04497	0.8
163.07582	5.9
166.71106	0.5
167.06010	1.0
183.02809	0.9
191.05653	1.4
205.12337	3.5
209.07233	1.1
223.13481	1.3
233.06650	1.2
265.14670	0.7
269.04703	1.3
275.04779	0.5
279.03116	1.2
293.08902	1.7
296.14304	0.6
306.12662	1.1
357.15567	1.2
368.12543	2.3
427.18628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03340	1.2
57.23967	0.7
59.01266	31.1
67.67727	0.9
68.31234	0.7
70.26138	0.7
70.30831	2.5
70.63134	0.9
71.01270	28.6
72.99202	1.0
73.02840	11.3
83.01276	6.6
85.02840	14.1
87.00783	2.2
89.02341	4.6
95.01282	1.7
97.02831	1.9
99.00768	5.6
101.02350	35.0
102.02699	0.9
111.00806	1.8
113.02354	14.2
125.02338	0.9
127.03656	0.8
128.40367	0.8
128.64198	0.9
129.01843	1.2
131.03479	1.0
143.03423	1.8
148.05237	1.2
159.02911	2.3
161.04506	13.9
163.07587	1.3
175.03891	1.4
188.04791	1.4
206.05847	0.8
220.03732	4.3
221.08197	2.9
235.06432	3.8
235.11891	100.0
236.12248	5.4
247.06128	1.3
250.04776	1.0
265.07251	10.7
331.82809	0.8
367.16159	75.3
368.16492	6.7
383.13504	1.2
427.12695	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	427.1618
Annotation	Rosarin
Peak:m/z	Relative Intensity
50.82453	0.2
51.54240	0.2
55.01769	1.6
57.03327	1.5
58.00478	3.6
59.01266	83.4
60.01601	1.1
61.59360	0.3
67.01767	0.3
68.99715	0.3
69.03346	9.2
69.54843	1.4
69.55264	0.8
71.01271	100.0
72.01604	1.5
72.99198	3.7
73.02840	9.8
73.06024	0.3
75.00776	0.5
79.01801	0.4
81.03349	5.8
83.01279	6.5
85.02843	15.3
87.00785	3.1
89.02339	89.6
90.02675	1.3
90.96902	0.2
95.01276	2.9
97.02855	11.5
98.03207	0.3
99.00790	3.2
99.04416	0.4
101.02350	18.9
102.02709	0.3
103.03941	0.3
106.04174	0.9
107.01309	0.7
109.02832	0.4
111.00802	0.9
113.02361	12.8
114.02722	0.4
115.03951	0.7
119.03426	2.6
123.00838	0.5
123.04424	0.8
125.02369	32.0
126.02733	0.9
127.03938	0.3
128.01048	0.3
131.03432	17.3
131.04872	1.6
132.03664	0.3
132.05727	3.5
133.06522	81.4
134.06845	3.8
139.03952	1.3
143.03442	3.0
149.04498	16.9
149.66396	0.3
150.04826	0.5
161.04497	3.5
167.03505	0.3
169.22665	0.3
173.04510	0.6
191.05586	8.1
233.06679	6.0
244.95512	0.3
273.15417	0.3
287.09598	0.3
293.08853	13.9
294.09155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10472	1.1
55.01767	1.7
57.03318	1.6
58.00464	2.0
59.01266	32.6
61.98717	11.3
66.82612	1.1
71.01273	33.7
71.60921	2.3
72.99196	3.9
73.02827	3.0
75.00394	1.1
75.00766	29.2
83.01279	25.0
83.01727	2.3
85.02849	10.0
87.00775	18.4
88.00319	3.9
89.02342	17.2
89.89576	1.2
95.01304	2.9
97.02853	2.9
101.02358	13.1
108.02076	5.6
111.00800	4.1
113.02379	6.7
119.03423	6.1
122.03645	1.8
123.00785	2.1
123.04427	5.6
124.01568	1.5
125.02309	1.8
129.01881	17.0
132.02113	1.3
134.03644	6.2
135.04503	3.7
137.02362	2.0
138.29311	1.2
141.01877	1.9
147.04440	3.9
148.05234	40.4
149.02396	3.1
149.06035	9.0
150.25844	1.2
159.02982	1.8
159.04489	5.8
160.01619	16.5
160.05234	3.4
160.53284	1.3
161.02351	3.5
161.04474	1.8
162.03152	2.7
163.03981	11.3
163.07594	54.6
164.04796	3.2
164.07925	2.6
165.05453	1.8
173.02362	2.8
174.03133	3.0
175.03954	30.6
176.04643	4.0
177.05530	4.8
178.06294	13.3
179.06992	2.5
187.03943	2.9
188.04771	40.6
189.05359	4.0
190.02728	1.8
191.03416	2.5
191.07097	4.9
193.05040	3.7
193.08646	3.6
203.03488	2.4
203.07101	12.8
204.04256	4.5
205.05014	4.4
206.05872	12.3
219.04875	6.5
221.08199	56.6
222.08543	4.3
223.06131	3.6
223.09668	2.5
232.03860	6.6
247.06160	30.8
248.06326	2.3
261.07755	1.3
264.06409	3.7
265.07227	12.2
267.08813	2.5
303.07306	36.3
304.07608	2.9
337.09369	4.3
383.13553	36.6
384.13757	2.0
427.12518	100.0
428.12991	10.8
447.96463	1.3
451.29889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03203	0.2
55.01761	1.5
57.03336	0.9
57.88120	0.2
58.00479	3.7
59.01265	81.1
60.01593	0.7
69.03339	5.8
69.61967	1.8
71.01271	89.0
72.01592	1.5
72.99195	6.9
72.99587	0.5
73.02835	6.6
75.00762	3.5
76.76625	0.3
79.01778	0.4
79.54959	0.3
80.04209	0.3
81.03337	3.1
83.01279	4.4
85.02842	11.0
87.00773	3.6
89.02338	100.0
90.02666	1.3
95.01289	1.7
97.02851	6.8
98.20512	0.6
99.00770	2.4
101.02348	17.0
102.02682	0.4
103.00278	1.5
106.04149	0.8
107.01287	0.5
111.00798	3.2
113.02359	13.4
114.02731	0.3
115.03908	0.5
119.03426	3.2
123.04446	1.0
125.02370	26.5
126.02676	1.1
127.03920	0.4
130.99785	4.2
131.03430	19.5
131.04994	1.1
132.03752	0.3
132.05731	2.7
133.06520	62.6
134.06834	2.2
139.03934	0.8
143.03436	2.9
149.04494	24.6
150.04842	0.5
159.02965	0.3
161.04514	2.8
167.03395	0.5
173.04524	0.8
180.15775	0.3
191.05580	7.9
192.05948	0.4
233.06676	3.9
234.07028	0.5
286.06741	0.3
293.08829	17.4
294.09024	0.8
427.12427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.7
58.00472	1.7
59.01265	78.6
59.93992	0.8
60.01614	1.1
61.98715	2.8
70.50613	1.8
70.51003	1.7
71.01268	35.5
72.00775	2.4
72.99196	3.1
73.02837	8.0
75.00759	5.4
80.41615	1.0
81.03341	1.1
83.01257	4.5
85.02832	11.9
86.00060	0.9
87.00773	1.9
87.03523	0.7
87.04413	1.5
89.02334	23.1
95.01280	2.6
97.02842	1.2
97.06484	1.1
99.00793	3.0
100.00269	5.3
101.02345	27.6
113.02339	14.2
119.03400	10.0
131.03421	2.5
131.07141	1.0
143.03392	1.8
144.02965	8.9
149.04541	2.2
159.02928	2.0
161.04504	13.1
179.05591	5.9
203.12894	7.1
293.16025	3.5
337.58176	0.9
359.41678	0.9
365.18228	100.0
366.18582	12.7
379.16196	8.7
425.15738	1.0
425.20819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.2
61.98699	0.5
68.99801	0.2
69.03317	0.3
70.73852	0.3
71.01263	0.6
71.60902	0.4
85.02815	0.4
89.23078	0.3
96.95902	1.1
101.02324	0.6
106.44759	0.3
113.02348	0.3
121.36633	0.3
123.03429	0.3
127.07585	0.3
148.05231	2.1
150.15056	0.3
151.07555	0.4
167.06131	1.3
169.53160	0.3
174.13278	0.3
178.10030	0.5
181.56853	0.3
205.12321	15.6
206.09456	5.4
206.12672	1.1
207.09776	0.6
207.13914	0.6
209.07201	2.6
213.30411	0.3
220.14676	100.0
221.15201	11.4
235.13412	0.6
263.16592	0.6
322.15585	1.8
347.15378	0.4
366.14792	3.0
368.14877	3.0
369.15369	0.4
383.20605	0.3
425.21915	25.3
426.22302	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	425.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50507	0.6
59.01270	4.2
61.98704	0.9
63.98853	0.6
71.01234	0.8
71.60761	0.8
76.27095	0.7
78.90536	0.7
105.03864	0.7
105.57115	0.6
119.92583	0.6
134.88191	0.7
138.86397	0.7
149.90523	0.7
177.12813	0.8
183.13887	8.9
193.12363	1.1
195.13881	21.5
196.14221	1.2
211.13377	31.5
212.13710	2.8
213.14966	8.4
251.07309	0.8
315.27014	3.2
341.24863	0.8
359.25949	2.8
377.27094	4.0
407.28229	1.2
425.29181	100.0
426.29504	13.5
441.79553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1959
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
59.01266	100.0
61.98710	65.5
71.01290	32.1
71.04020	31.4
89.02311	18.4
101.02369	24.1
248.07625	13.5
306.64978	14.5
362.14740	18.4
365.21545	16.1
369.68420	15.7
387.16733	41.3
425.08917	44.6
425.19742	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.3
59.01271	1.9
65.03854	0.3
65.48116	0.2
73.02830	0.4
80.78122	0.2
85.02830	0.4
86.05320	0.3
93.03355	57.7
94.03673	1.8
101.02328	0.5
109.76556	0.2
113.02337	0.5
122.01931	0.3
125.02392	0.3
137.02371	100.0
138.02702	3.7
181.67288	0.2
241.27841	0.3
248.48375	0.2
337.06464	0.2
395.39957	0.3
425.14850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1828
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
55.01761	0.7
57.03333	2.4
59.01268	9.0
61.98719	1.0
64.42421	0.5
69.03336	0.8
69.53909	4.1
71.01266	9.7
72.99189	0.6
73.02843	0.7
78.88974	0.6
79.05405	1.1
83.01276	1.7
83.04906	1.3
85.02840	5.1
87.00821	0.6
89.02337	2.0
93.03365	1.4
93.07023	0.9
95.01281	2.4
95.04928	2.3
97.02852	8.0
97.06482	2.4
101.02341	3.1
102.40285	0.5
102.94848	0.6
105.06990	2.2
107.04932	4.9
108.05743	5.7
109.02869	7.5
109.06485	1.8
111.00802	0.8
111.03756	0.7
111.04438	8.8
111.08031	1.7
113.02379	5.6
113.05992	8.0
115.00285	0.6
119.03442	1.5
119.04922	4.3
119.08572	2.7
119.62291	0.6
121.06500	3.5
122.03666	6.4
123.04417	2.7
123.08081	6.9
124.01546	0.8
124.05189	1.4
125.06011	13.9
125.09587	0.8
134.03642	1.2
135.04413	1.3
135.08047	1.7
136.05240	8.6
137.06032	4.4
137.09647	0.8
138.03226	0.6
138.06793	10.1
139.07585	28.7
139.30226	0.6
139.84474	0.5
140.07870	0.6
141.78554	0.6
145.06528	2.2
147.04453	4.3
147.08073	0.7
148.05231	3.6
149.06030	3.5
151.07590	58.4
152.04759	7.1
152.08379	26.3
153.05423	0.7
153.09163	12.4
159.04439	1.8
159.11726	3.4
160.05219	1.3
161.04605	0.8
161.06032	0.6
161.09636	5.4
163.03957	2.7
163.07588	7.5
164.04692	1.4
164.08360	0.7
164.20796	0.6
165.05368	0.7
167.07156	3.4
170.05774	1.6
175.07570	1.8
175.11253	1.0
185.09702	2.0
186.10515	1.4
187.07671	0.9
188.08362	1.2
189.05566	3.1
189.09198	3.4
191.14388	0.8
192.04211	2.2
193.05029	2.1
201.12839	23.1
202.13200	1.5
203.10739	10.9
204.11551	33.5
205.11909	2.5
213.09186	0.7
217.12114	0.6
219.06651	2.6
219.13904	56.1
220.14253	4.3
227.10808	1.2
228.11508	1.7
243.13914	6.5
244.11105	0.6
245.11815	12.0
246.12160	1.3
248.10658	0.9
263.12930	100.0
264.13242	8.6
267.06860	0.7
268.07440	1.5
272.10767	0.9
277.14459	0.8
283.09805	1.9
287.12958	10.9
288.13095	0.7
305.13995	6.7
327.68204	0.6
369.54080	0.6
426.12033	6.8
444.83633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.253
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.62759	0.4
53.22064	0.4
55.01758	0.4
59.01257	1.0
59.22931	0.4
68.89964	0.4
71.54205	0.7
71.54543	0.6
71.84712	0.4
72.24196	0.4
78.95798	12.3
110.98442	9.4
110.99160	0.7
139.53163	0.4
145.35246	0.5
152.99535	0.9
163.11105	0.6
167.01112	11.7
185.02205	2.6
207.28041	0.4
255.23341	100.0
256.23657	8.0
263.24075	0.4
423.25272	23.2
424.25629	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.4
57.03335	3.9
58.00484	1.2
59.01263	25.8
60.01603	0.2
60.99216	0.2
61.98696	0.4
68.99706	0.3
69.03335	1.0
69.32973	1.5
69.33387	0.4
71.01267	46.7
72.01602	0.8
72.99203	2.0
73.02834	19.8
74.03187	0.2
75.00764	0.9
77.90771	0.2
77.91226	0.2
81.03329	0.5
83.01274	11.4
84.01598	0.2
84.02079	0.3
85.02839	25.8
85.99971	1.9
86.03152	0.5
86.45970	0.2
87.00764	2.2
89.02336	5.7
90.73032	0.2
95.01289	3.2
97.02850	1.5
99.00779	8.5
101.02344	46.7
102.02663	1.0
111.00778	1.5
113.02352	17.6
114.02665	0.5
115.03918	0.4
119.03412	0.3
125.02367	1.7
127.11234	0.6
129.01848	1.5
129.12782	0.6
131.03423	1.2
139.00310	0.2
141.01843	0.3
141.87706	0.2
143.03424	2.4
149.04509	0.7
154.99785	0.5
159.02934	4.3
161.04494	20.9
162.04848	0.6
173.11818	0.3
191.05475	0.2
199.13358	0.4
205.03496	0.8
233.06778	0.4
291.18188	100.0
292.18527	8.3
335.17297	1.1
423.22440	16.2
424.22806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01521	0.4
55.01772	4.1
57.03336	2.8
58.00479	1.4
59.01262	27.2
60.01593	0.3
61.98690	0.2
68.99707	0.3
69.03327	0.9
69.28927	0.2
69.29274	2.1
71.01267	45.3
72.01603	0.9
72.99197	1.9
73.02834	19.7
74.03153	0.3
75.00776	1.3
78.97110	0.2
81.03362	0.4
83.01275	10.1
84.02089	0.4
85.02841	24.3
85.99974	1.1
86.03188	0.5
87.00768	2.3
89.01916	0.1
89.02335	7.4
95.01280	3.0
97.02850	1.6
99.00777	7.6
100.01100	0.2
101.02342	41.4
102.02691	0.9
111.00759	1.3
113.02354	18.7
114.02682	0.6
115.03938	0.3
119.03408	0.5
125.02350	1.9
127.00304	0.3
127.11227	0.4
129.01852	1.4
129.12776	0.3
129.80116	0.2
131.03410	1.7
141.01875	0.3
143.03415	2.3
149.04459	1.1
159.02937	4.1
161.04497	22.3
162.04895	0.9
199.13362	0.3
201.11253	0.5
205.03569	1.0
219.13831	0.3
225.11328	0.2
233.06735	0.7
234.06911	0.2
261.13538	0.7
291.18188	100.0
292.18546	7.8
292.21906	0.3
335.17242	0.7
423.22461	18.0
424.22839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.2
56.32393	0.9
57.03345	3.9
58.00491	4.3
59.01263	88.9
60.01616	1.0
68.99722	1.0
69.03362	1.7
69.87248	1.7
69.87649	4.6
71.01270	93.4
72.01643	1.2
72.99200	10.6
73.02834	24.7
75.00762	8.3
83.01270	15.2
85.02840	32.0
87.00768	8.5
89.02337	70.0
95.01292	6.1
97.02849	4.8
97.06522	1.9
99.00782	8.0
99.04470	1.0
101.02345	100.0
101.06024	2.3
102.02721	2.3
105.01848	1.4
111.00786	1.6
113.02358	41.2
115.00283	9.0
115.03970	1.1
117.01848	5.3
119.03415	27.7
125.02393	3.5
129.01898	2.1
131.03429	5.6
140.13651	0.8
141.05545	3.4
143.03442	13.3
149.04472	4.3
159.01828	1.0
159.02893	4.4
161.00870	4.8
161.04495	35.1
162.04916	1.8
173.11839	2.4
179.05565	36.9
179.84546	0.8
180.05951	1.2
181.12320	2.4
207.05153	1.3
221.06813	3.7
237.06552	1.0
249.06242	1.9
261.13516	12.8
261.16095	1.0
263.07880	3.4
264.18631	0.9
267.07278	1.3
279.07108	1.0
284.52588	0.9
321.80569	0.9
337.55844	0.9
354.65884	1.0
367.94385	1.0
405.14340	1.4
423.19116	39.5
424.19315	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	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98708	3.0
63.53384	0.9
64.81853	0.8
69.83206	4.7
71.01271	17.6
72.99191	1.5
73.02835	4.4
74.02364	1.2
75.00771	3.1
78.12276	0.8
83.01298	2.0
83.04913	1.0
85.02841	9.9
87.00792	1.3
87.04427	1.1
89.02335	8.8
95.01288	1.3
96.95904	4.7
97.06582	1.3
98.02377	1.8
99.00777	1.3
101.02348	9.9
102.17245	0.8
111.08040	1.0
113.02362	4.9
119.03426	3.7
125.02319	1.4
129.38805	1.0
132.04474	2.8
138.05559	1.1
139.07504	1.6
143.03401	1.4
159.06532	2.0
161.04482	4.4
164.40182	0.9
165.05551	1.3
179.05521	1.2
195.06587	1.2
201.11290	2.5
243.12381	4.1
247.07304	1.3
261.08902	1.2
261.13522	1.7
291.14627	3.8
303.14587	4.2
305.11523	1.0
313.12988	3.9
321.15707	8.2
331.13910	2.2
363.16687	11.2
364.17020	1.6
423.10278	1.9
423.18726	9.9
424.19269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
50.66873	2.1
52.71374	2.2
57.03325	10.2
58.00464	2.4
59.01265	100.0
69.00827	2.3
69.51744	18.2
71.01271	73.0
72.99197	7.3
73.02823	17.3
75.00719	4.5
83.01292	11.6
85.02837	24.5
87.00765	8.4
87.04410	2.6
89.02339	57.9
91.87427	2.3
95.01289	6.0
97.02867	3.2
97.72336	2.5
99.00793	8.6
99.04414	14.4
101.02342	53.4
104.12383	2.3
111.00751	3.4
113.02364	34.9
115.07624	2.3
119.03412	24.5
125.02344	9.5
128.03468	3.4
131.03395	4.8
133.01387	2.6
141.09047	2.0
143.03391	8.9
144.93057	2.4
145.07652	33.5
149.04497	3.7
161.04506	24.8
179.05573	36.0
219.11055	2.2
221.06725	11.2
279.13504	8.0
321.15326	3.4
423.18326	52.9
424.17389	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	423.1799
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03341	23.5
59.01263	80.7
69.52094	47.3
69.52533	10.9
71.01274	22.8
72.99192	8.2
73.02843	17.2
73.51118	7.9
80.06426	6.8
83.01272	8.0
85.02860	13.7
87.00774	7.8
99.00797	8.7
101.02324	11.5
113.02316	14.8
121.39001	6.3
125.02384	11.6
132.16264	6.7
136.01508	7.2
139.67705	6.8
145.07654	39.4
161.04430	10.2
173.11772	31.1
175.63832	7.1
222.61076	8.1
245.22762	7.4
249.06198	9.1
279.13467	15.1
293.45987	8.0
299.95807	8.4
308.69333	7.4
359.06708	8.3
423.18326	100.0
424.18576	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44070	0.2
52.58434	0.2
55.01780	0.4
55.10863	0.2
57.03352	0.2
59.01266	4.2
61.01724	0.2
61.98730	0.7
68.99674	0.2
71.01273	15.1
71.63409	0.2
72.01618	0.4
72.09285	0.2
72.99211	0.3
73.02838	0.5
75.00761	0.4
79.05429	0.2
82.02901	0.8
83.01290	0.9
85.02850	0.9
85.03970	4.1
87.00807	0.2
88.03935	2.1
89.02345	0.6
91.05450	0.6
95.04960	0.3
96.00301	0.2
96.04448	0.6
96.95895	0.2
98.02431	0.2
98.06007	0.4
99.00782	0.5
100.03986	0.2
101.02345	0.9
103.05441	0.4
105.03339	1.1
108.04465	10.5
109.02885	0.4
109.04810	0.3
110.02412	0.8
111.00794	0.3
113.02371	0.7
113.03486	0.5
113.07124	0.5
114.01903	0.2
119.04942	1.2
121.06516	0.3
123.05558	1.9
124.03962	1.6
126.05538	1.8
127.00294	5.1
129.01889	0.3
133.06502	0.6
138.98552	0.3
139.99321	36.6
140.99693	1.1
141.06644	1.1
147.04468	8.1
148.04865	0.4
149.06013	0.2
151.05080	21.1
152.03488	0.8
152.05412	0.8
153.00101	0.8
153.03844	0.2
154.99828	1.6
157.06142	2.0
158.34113	0.2
161.04491	0.4
166.00914	0.6
169.06149	34.1
170.06502	1.2
174.12857	1.6
181.03259	100.0
182.03595	5.4
197.09355	0.3
217.13501	0.4
223.13379	0.3
241.08330	34.1
242.08603	1.8
261.12482	2.8
262.12885	0.3
275.07153	0.6
290.17227	0.2
291.16980	0.2
303.13538	0.2
366.86768	0.2
416.81772	0.2
423.12088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75175	1.3
53.40191	1.3
57.03336	8.6
59.01268	14.7
61.21629	1.2
63.84610	1.2
68.99672	1.3
69.03351	2.1
70.33672	5.5
71.01275	2.7
77.03870	1.3
81.03345	1.7
83.01273	5.2
89.02333	1.7
93.03377	2.4
95.01319	1.3
95.04911	3.0
97.02841	6.9
97.33852	1.3
101.02351	2.2
109.02859	4.1
113.06120	1.5
121.02853	5.9
125.02366	54.6
126.02663	2.9
127.00239	3.1
137.02388	36.4
137.03433	1.8
137.06046	1.6
138.03203	1.7
139.03943	3.4
147.04495	1.4
149.06035	1.5
151.03931	1.7
155.04984	1.9
164.01103	5.0
165.01892	60.9
166.02286	2.3
167.03456	4.9
171.04596	1.6
173.06038	6.3
175.03928	1.5
181.06532	2.3
183.04453	2.0
183.08116	3.4
185.05991	4.5
186.06825	2.0
187.03926	2.6
187.07506	1.8
188.04721	6.2
197.06093	2.4
199.03976	3.5
199.07613	5.1
201.05589	11.8
201.09213	5.8
203.03545	1.7
205.01015	1.5
209.06044	6.2
210.06804	2.4
211.04028	4.2
211.07620	17.2
212.04823	4.3
212.08022	1.4
213.05582	15.9
213.09267	3.5
214.06242	7.7
215.03435	3.2
215.07047	4.0
216.04329	6.7
217.05132	3.4
224.04845	2.2
225.05455	3.2
226.06334	2.1
227.03476	5.6
227.07150	35.4
228.04320	2.8
228.07765	4.9
229.04997	2.8
229.08717	72.0
230.06033	1.5
230.09024	6.4
231.06644	35.9
232.07031	3.4
237.05615	8.2
238.06306	3.3
239.07162	46.5
240.07564	4.9
241.05063	5.6
241.08760	3.6
242.05890	3.4
243.06602	2.6
245.08203	1.8
246.05252	2.1
251.07182	9.1
252.07877	2.1
253.05466	1.4
255.06654	27.1
256.07153	4.6
257.08234	100.0
258.08676	7.4
264.07977	1.5
265.08655	3.1
266.05826	1.6
267.06656	1.8
267.10333	2.2
268.07416	3.7
269.08249	8.0
276.07513	1.8
277.08646	2.1
279.06827	7.7
279.09320	1.6
283.06116	2.0
284.06927	2.1
285.07755	6.9
291.10287	3.8
292.07602	2.1
293.08096	2.4
294.08972	1.9
295.09821	6.8
297.07745	16.5
303.06479	2.1
309.11310	3.0
318.08969	2.6
319.09784	12.8
327.12219	1.7
333.11365	3.2
337.10846	13.8
338.11194	1.5
351.12415	4.7
361.10889	15.4
363.08801	2.7
377.10397	3.6
379.12030	4.6
387.08716	6.2
405.09955	22.2
406.10187	2.8
423.10980	40.5
424.11203	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	422.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.6
61.98718	100.0
70.78539	0.7
70.78867	1.4
71.01279	0.7
92.48922	0.6
96.95901	1.3
123.15296	0.5
127.00290	3.0
133.06569	0.8
147.04478	1.7
148.05214	1.0
159.04503	1.6
161.06030	0.8
173.06020	3.1
187.04042	1.0
187.07620	0.8
189.05527	2.2
201.05617	0.8
211.13380	2.8
216.07925	3.2
230.99350	1.2
261.43085	0.6
297.15018	1.9
300.13736	1.3
318.14832	1.0
337.11191	0.6
341.17563	3.9
359.18723	29.8
360.19022	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	423.1095
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
57.03339	7.4
59.01259	1.9
69.03339	1.8
69.38365	5.6
71.01273	1.9
73.02824	0.8
73.46019	0.5
77.03844	1.0
81.03350	2.0
83.01271	5.4
85.02839	1.0
90.58524	0.5
93.03364	2.4
95.01272	1.6
95.04929	2.7
97.02853	6.9
99.04415	0.8
101.02349	1.5
109.02867	2.8
113.02369	0.7
120.02171	0.5
121.02869	4.3
122.03627	0.6
123.00795	1.3
123.04414	0.6
125.02364	57.7
126.02726	1.5
135.04445	0.6
137.02373	35.3
137.05989	1.0
138.03026	1.0
139.03929	2.0
143.04977	1.1
144.05765	0.6
147.34944	0.6
151.03966	2.5
155.04916	1.0
157.06512	1.1
158.03677	0.8
159.04420	2.5
160.05266	0.7
161.06049	1.6
163.00359	1.1
163.03894	0.9
164.01100	4.1
165.01880	59.3
166.02271	2.5
167.03485	5.2
167.04825	1.1
169.06604	0.7
171.04546	0.8
172.05267	1.7
173.06044	6.7
174.03168	1.0
177.01787	1.0
179.03459	1.4
181.05009	2.2
181.06511	1.1
183.04468	2.3
183.08154	3.7
185.06042	4.0
186.06801	1.8
187.03960	2.3
187.07535	1.4
188.04750	7.7
189.05405	1.0
193.06577	1.7
195.04417	1.1
196.05261	2.1
197.06056	2.5
198.03195	1.1
199.03899	1.9
199.07675	4.0
200.04688	1.3
201.05562	7.9
201.09192	5.6
202.06169	0.8
202.09572	0.7
203.03415	1.6
205.05048	1.3
209.06029	5.7
210.06798	2.2
211.04140	4.4
211.07626	14.4
211.09625	1.0
212.04837	3.5
212.08113	1.7
213.02161	0.9
213.05542	13.3
213.09007	3.1
214.02765	1.8
214.06328	8.0
215.03519	4.1
215.07034	4.2
216.04277	5.5
217.04996	2.7
221.06168	0.9
223.07619	1.6
224.04799	1.3
225.05617	3.2
226.06305	2.3
227.03767	4.6
227.07126	31.3
228.04193	1.9
228.07684	4.9
229.08707	71.4
230.05722	0.9
230.09018	5.4
231.06636	38.1
232.06976	2.6
237.05634	7.6
238.06335	2.7
239.07143	46.0
240.04553	0.7
240.07518	3.5
241.05084	6.1
241.08734	2.0
242.05783	2.1
243.02954	1.7
243.06621	2.6
244.03778	0.7
245.08208	2.2
246.05266	1.1
249.05595	1.0
249.09270	1.0
250.06380	1.0
251.07176	8.1
252.07808	2.3
253.05275	0.9
253.08554	0.9
254.05873	1.3
255.06654	26.7
256.07211	4.1
257.08224	100.0
258.08548	7.4
263.10672	0.9
264.04239	0.7
265.05246	1.5
265.08780	2.0
266.05737	0.7
267.06906	2.7
267.10275	2.3
268.07507	3.3
269.08246	9.5
270.08517	0.7
273.09149	1.0
275.07172	1.1
276.07806	0.8
277.05399	0.9
277.08655	1.1
278.05917	1.0
279.06735	8.9
280.07346	2.5
280.10583	0.6
281.08090	1.1
283.06207	1.0
284.06973	1.6
285.07715	6.6
285.11151	0.8
286.08069	0.9
289.08572	1.8
290.09586	0.9
291.07031	1.0
291.10330	2.5
291.18179	3.1
292.07422	0.9
292.18787	0.7
293.08231	2.2
293.11844	0.7
294.09048	1.8
295.09833	4.4
296.06970	1.0
297.07715	18.1
298.08084	2.0
301.08783	1.3
303.06738	0.8
304.07419	0.7
305.08484	0.7
307.09756	1.0
309.11426	3.9
311.09247	0.7
315.10428	0.9
317.08258	1.9
318.09042	3.2
319.06241	0.7
319.09760	10.7
320.10193	1.6
321.07669	2.5
327.12332	1.1
331.10150	0.8
333.11377	3.2
335.09155	0.9
337.10858	14.2
338.11255	1.8
343.09772	2.5
346.08624	0.7
351.12485	4.1
354.07385	0.8
359.09286	2.1
361.10876	13.4
362.11401	0.9
363.08801	1.6
364.05942	1.0
377.10507	2.4
379.11874	4.2
380.12292	0.9
387.08978	4.9
395.11356	1.6
405.09854	21.6
406.10199	3.3
423.10931	45.0
424.11237	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	421.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03336	2.4
58.00475	3.8
59.01266	100.0
60.01602	1.0
61.30797	0.3
69.03357	0.7
69.41472	2.3
69.41886	0.8
71.01271	73.1
71.06466	0.3
72.01608	1.1
72.99197	4.7
73.02837	7.3
74.89516	0.3
75.00756	0.8
83.01272	4.4
85.02843	14.5
86.03206	0.4
87.00777	4.3
89.02339	98.2
90.02668	1.7
95.01295	3.4
97.02851	1.3
99.00774	2.7
101.02351	44.3
102.02708	0.8
113.02360	28.4
114.02713	0.8
115.03938	0.4
119.03422	34.5
119.53878	0.3
120.03748	1.0
125.02396	2.4
128.73268	0.3
131.03435	13.0
131.04424	0.7
143.03445	8.2
149.04512	20.0
150.04851	0.9
161.04529	9.3
162.04790	0.4
179.05585	21.7
180.06004	0.6
191.05586	5.2
194.65059	0.3
233.06731	0.4
267.06784	0.6
272.19925	0.3
278.95361	0.4
289.16647	9.3
290.16864	0.5
401.70053	0.3
421.20850	11.9
422.21097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57017	0.3
50.94163	0.3
59.01257	0.7
67.37768	0.3
71.32526	0.7
78.95793	24.5
110.98442	43.7
111.98778	0.4
120.69290	0.3
152.99527	3.6
167.01115	1.3
185.02171	100.0
186.02499	2.3
248.56148	0.3
253.21758	28.3
254.22150	2.8
339.19925	0.4
421.23718	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2089
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01769	5.2
56.99712	0.4
57.03335	6.1
58.00480	3.4
59.01265	69.6
60.01605	0.9
60.99192	0.2
68.99706	0.7
69.03346	2.9
69.39056	0.2
69.47958	1.9
69.60860	0.2
70.21985	0.2
71.01270	100.0
71.04934	0.4
72.01605	1.7
72.99199	4.9
73.02837	26.1
74.03159	0.4
75.00769	1.7
81.03345	1.4
83.01278	13.7
83.88564	0.2
84.01610	0.3
84.02071	0.4
85.02845	37.1
86.00012	0.6
86.03204	0.6
87.00774	4.7
89.02338	53.1
90.02683	0.8
90.19893	0.2
95.01283	4.9
97.02853	4.9
98.20510	0.5
99.00783	11.5
99.04419	0.4
99.98032	0.2
101.02347	64.0
102.02673	1.1
103.00264	0.3
109.02838	0.3
111.00790	8.4
111.04435	0.3
113.02357	29.4
114.02701	0.7
115.03937	2.3
119.03426	2.5
125.02367	9.1
126.02750	0.2
127.03922	0.4
127.11215	2.1
128.01105	0.3
129.01892	1.7
130.99783	0.4
131.03427	29.6
132.03772	0.7
137.02408	0.5
139.03908	0.6
139.11292	0.3
143.03439	4.5
143.04550	0.2
149.04500	15.3
150.04811	0.3
151.11195	0.2
159.02945	4.5
160.03316	0.3
161.04503	26.6
162.04820	0.8
167.10675	0.4
173.04498	0.5
185.11888	0.3
187.06131	0.4
191.05574	3.9
193.12370	0.3
203.05606	0.5
205.03558	0.7
211.13458	0.5
215.05585	1.6
233.06683	7.2
234.06984	0.5
271.15521	0.7
289.16632	43.5
290.16989	3.3
293.08817	3.1
294.09003	0.2
333.15686	0.3
377.19220	0.6
379.23523	0.3
421.20874	65.3
422.21207	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1642
Annotation	Antiarone B
Peak:m/z	Relative Intensity
51.53853	2.6
56.23980	3.5
59.01266	88.4
64.37586	2.6
69.19558	2.7
70.73299	3.0
71.01283	21.9
71.60143	3.2
73.02129	2.7
73.02834	4.2
73.07177	2.9
75.00759	40.7
76.76122	2.5
85.02826	5.3
87.10233	3.1
89.02328	9.5
95.01289	4.4
96.52924	2.9
99.00783	4.5
101.02345	10.4
108.02033	7.2
108.80124	2.9
109.02891	3.2
113.02335	7.9
121.02847	9.5
122.03644	3.4
123.04433	10.5
125.02364	3.4
149.02357	13.1
150.03169	45.0
151.03922	5.8
151.73721	3.8
152.01126	19.5
155.10704	3.5
161.04498	3.7
164.04668	4.4
165.01846	6.0
165.05540	62.3
167.03438	53.9
171.10191	4.0
180.04202	7.1
181.04915	5.5
195.06627	31.7
215.97838	2.8
225.04044	16.9
249.06166	5.1
256.07422	12.0
271.09882	4.4
306.47375	3.1
315.08774	22.1
316.09152	4.4
363.10947	29.7
421.11667	6.6
421.16394	100.0
421.20743	5.4
421.24744	11.4
422.16937	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	421.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	6.3
56.02116	0.2
56.66116	0.2
57.03338	6.4
58.00486	1.9
59.01264	36.5
60.01599	0.4
61.52644	0.2
65.61999	0.1
65.88596	0.1
67.01784	0.3
68.99700	0.5
69.03350	1.8
69.47927	1.2
71.01271	100.0
71.04899	0.7
71.18797	0.2
72.01616	1.8
72.99200	2.6
73.02837	33.1
74.03171	0.6
75.00764	2.1
76.79601	0.1
81.03362	1.1
83.01279	15.2
84.01621	0.3
84.02061	0.6
85.02845	48.3
85.99976	0.5
86.03185	0.9
87.00772	3.8
89.02339	15.1
90.02677	0.3
95.01286	8.2
96.01614	0.2
97.02858	3.6
99.00783	15.6
99.04418	0.2
100.01115	0.3
101.02348	64.2
102.02677	1.4
111.00780	1.2
113.02358	38.8
114.02710	0.9
115.03919	0.5
119.03428	1.3
125.02371	4.9
125.09709	0.2
127.11214	2.3
129.01852	2.2
130.99786	0.2
131.03427	2.8
139.00298	0.3
139.11243	0.4
141.01962	0.2
143.03439	4.6
149.04498	1.7
159.02942	8.8
161.04506	54.4
162.04857	1.8
165.05586	0.2
167.10741	0.4
169.12207	0.1
178.04721	0.2
179.05515	0.2
191.05652	0.8
193.12276	0.4
205.03546	1.4
211.13394	0.6
215.05618	0.2
233.06694	1.1
289.16632	95.7
290.16968	7.7
293.08862	0.7
333.15433	0.9
351.57361	0.2
421.20883	14.8
422.21204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1644
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
57.03307	2.3
59.01268	19.4
66.41400	2.0
67.10312	1.6
71.01268	10.6
71.09216	4.1
73.02824	2.7
75.00785	2.3
79.95667	1.8
80.96354	1.9
85.02834	4.3
85.03944	7.3
86.04259	1.8
87.00727	2.9
87.05524	2.0
88.03896	2.0
89.02303	6.0
91.28772	1.7
97.24944	1.7
101.02337	5.0
113.02299	4.6
119.03346	3.7
121.25413	2.0
128.03473	16.5
129.03792	4.6
134.07106	2.3
157.06114	11.1
158.06432	2.2
165.05383	3.2
196.95724	2.2
286.10446	3.4
287.10788	4.7
299.09937	1.9
328.81424	2.0
421.16434	100.0
422.17020	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	420.2763
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01266	1.5
61.98722	1.1
71.01258	0.5
71.59666	0.4
72.99172	0.3
75.00723	0.2
89.02348	0.4
93.03343	0.3
96.95934	0.3
99.87122	0.3
109.02827	0.5
111.08151	0.2
121.02872	100.0
122.03189	3.4
125.02348	0.4
134.77829	0.2
146.57919	0.2
150.08243	0.2
165.12794	0.5
420.27637	61.6
421.09528	0.7
421.27994	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	419.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50385	0.7
55.80093	0.6
57.03338	1.7
59.01264	96.4
60.01598	1.0
61.98722	0.8
71.01260	5.2
71.59277	1.5
72.62260	0.6
72.99201	0.8
73.02838	2.4
75.00770	1.5
79.05430	0.6
83.04903	0.9
85.02840	2.5
87.00774	2.2
89.02325	3.8
93.03354	3.0
95.04916	1.0
96.50799	0.7
97.06514	1.2
99.04416	2.3
101.02357	3.8
101.20393	0.8
105.03356	1.6
109.02866	1.5
109.06464	0.8
113.02362	1.7
114.42606	0.6
117.05492	2.0
119.03377	0.8
121.06497	2.4
122.03681	1.0
123.04436	6.1
134.03636	1.2
135.04491	0.8
137.02324	1.0
147.04414	1.2
149.02460	3.4
149.04457	2.1
149.05977	1.1
150.03169	1.3
151.03944	5.7
161.04524	0.8
163.03925	3.8
165.01868	1.6
165.05533	21.2
165.12741	1.4
166.05940	0.8
167.03352	0.7
167.10725	0.9
175.03889	1.0
177.05513	5.8
180.04248	1.1
181.05061	0.9
189.05447	1.0
190.02446	0.6
191.03497	1.0
193.05034	31.4
194.05360	1.4
195.06532	1.5
195.10107	0.9
197.11853	1.4
205.05072	6.8
207.13849	3.1
209.11845	6.5
223.06107	6.8
225.14914	5.0
227.12889	40.7
228.13161	2.1
235.06032	1.2
251.12880	0.9
257.08005	1.0
257.36584	0.8
269.14020	9.4
287.15067	100.0
288.15396	7.4
299.09296	40.7
299.14386	1.1
300.09619	4.6
311.09268	1.4
329.10333	11.6
359.21014	0.9
401.12628	0.9
401.21631	0.8
419.13879	5.6
419.18945	29.5
419.86661	0.8
420.14560	0.9
420.19461	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	420.1823
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
57.03322	0.7
58.02852	0.9
59.01268	13.1
60.01614	0.9
61.98713	0.8
66.03371	0.9
71.00910	0.9
71.01274	11.3
71.09486	1.1
72.99190	1.2
73.02842	1.4
75.00760	2.8
82.02874	5.1
83.04949	0.7
85.02882	2.9
85.03967	37.2
86.02366	2.3
87.00761	0.7
87.02594	0.7
87.05527	11.0
88.03932	7.1
89.02342	3.2
97.02896	0.8
97.03946	1.0
101.02361	3.1
105.01866	0.9
109.04005	2.1
111.01911	2.0
112.02683	0.7
112.47498	0.6
113.02337	1.8
113.03481	2.9
119.03451	1.2
120.95017	0.5
121.03994	0.8
127.05038	4.0
128.03462	68.1
129.01875	1.3
129.03804	1.9
131.03421	0.7
133.06857	14.3
135.05574	5.3
146.98372	0.6
151.05084	0.8
152.08223	5.8
153.06667	3.3
157.06134	44.5
158.06445	0.7
159.07704	2.4
161.04556	0.8
178.06184	6.3
179.04581	7.5
180.05067	0.7
184.04866	3.4
185.05673	1.0
196.07259	15.1
197.05666	1.1
197.07623	0.9
199.13448	0.7
200.49445	0.8
214.08310	2.0
222.06956	0.7
224.10405	1.6
240.09596	1.1
241.10847	1.4
242.11398	1.4
268.09418	11.3
271.91718	0.7
286.10519	27.6
287.10806	1.9
291.13934	2.7
312.13889	1.2
322.09183	0.8
348.16174	1.4
366.00546	0.6
377.18301	0.9
402.17160	7.0
403.17221	0.7
408.21603	0.7
420.18222	100.0
421.18033	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	419.1361
Annotation	Davidioside
Peak:m/z	Relative Intensity
51.63047	0.3
55.59552	0.2
57.03331	0.6
58.64064	0.3
59.01266	15.5
61.98708	0.5
62.05704	0.3
65.03852	3.1
71.01280	2.4
71.12186	0.6
71.12521	0.4
72.99186	0.3
73.02844	0.9
75.00764	0.3
75.21397	0.3
77.45065	0.3
85.02840	1.0
87.00777	0.7
89.02353	0.9
91.01791	0.6
93.03365	2.9
96.95914	0.3
101.02356	1.8
107.04940	7.0
108.02126	0.4
108.05238	0.4
109.02871	4.7
113.02383	1.0
119.03418	0.7
122.03661	0.9
133.02815	0.3
135.00829	1.1
136.75261	0.3
149.02434	0.5
149.05997	0.4
150.03195	2.7
151.03957	100.0
152.04297	4.1
153.01892	0.4
161.04509	0.7
163.03966	2.0
193.05093	0.5
218.40994	0.3
221.02660	0.3
223.61052	0.4
229.18156	1.0
256.06967	0.4
257.08237	49.6
258.08578	4.2
267.10574	0.3
292.97476	0.3
329.13983	0.7
359.28156	1.1
360.72162	0.3
373.18799	0.5
382.20059	0.3
419.13586	21.2
419.22681	0.9
420.13977	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1361
Annotation	Davidioside
Peak:m/z	Relative Intensity
54.05055	0.2
56.37246	0.2
57.03351	0.4
59.01265	15.0
61.98714	0.3
65.03850	3.2
68.93125	0.2
71.01267	2.5
71.18655	0.4
72.99204	0.2
73.02840	0.7
74.22259	0.2
83.01290	0.3
85.02849	0.9
87.00776	0.9
89.02335	1.0
91.01792	0.4
93.03362	2.2
99.00787	0.3
101.02325	1.1
107.04937	7.3
108.02100	0.4
108.05277	0.3
109.02859	4.6
110.03217	0.4
113.02338	0.6
119.03398	0.6
122.03669	1.6
124.01598	0.3
124.13342	0.2
134.03648	0.4
135.00777	1.0
136.01526	0.2
149.02374	0.3
150.03152	2.2
151.03952	100.0
152.04311	4.2
153.01871	0.6
160.05215	0.2
161.04599	0.5
161.05952	0.2
163.03958	2.5
169.11681	0.2
175.84160	0.3
193.05023	0.7
223.18713	0.2
229.18080	1.0
255.06670	0.5
256.07013	0.2
257.08234	48.8
258.08585	3.9
299.09564	0.3
329.14056	0.8
331.17349	0.3
359.28125	1.0
373.18777	0.3
377.21973	0.3
419.13580	20.5
419.22702	0.6
420.13913	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	419.1145
Annotation	Artonol B
Peak:m/z	Relative Intensity
59.01267	10.6
61.98722	4.5
65.17305	1.7
71.01278	1.6
71.61074	2.1
85.02850	1.7
96.95894	1.8
100.88005	1.7
109.46548	1.5
110.13171	1.4
121.85310	1.4
138.03993	1.4
143.69577	1.5
149.06110	2.2
162.09125	1.6
174.03204	3.6
201.05534	2.7
202.02788	1.8
213.05583	2.4
214.06346	2.2
215.07175	7.6
224.44568	1.6
243.06673	17.5
251.07362	1.6
288.07715	1.7
289.05319	1.8
291.10339	2.4
301.09109	1.6
303.06592	3.0
304.07510	2.3
305.04559	6.2
305.50687	1.7
305.98557	1.5
307.05954	2.6
308.06815	1.8
314.05997	2.2
317.04623	10.3
317.08044	3.4
318.05310	2.9
319.06250	2.5
319.09711	3.2
328.07468	3.3
329.08145	1.7
329.12106	1.8
329.28488	1.7
330.05380	2.9
331.06085	8.4
331.09598	2.3
332.06940	7.4
333.07660	8.1
334.08392	5.3
337.10910	7.2
341.08060	1.8
343.06046	2.2
344.06851	2.5
345.07916	7.4
346.08478	7.1
347.09073	2.0
348.06561	2.3
349.07211	8.2
350.07898	3.2
355.09659	3.6
357.07617	17.8
357.11334	3.0
358.08221	6.0
359.05466	2.0
359.09360	2.9
366.82150	1.8
372.09973	2.8
373.10870	21.5
375.12524	21.4
376.12872	3.8
389.10669	2.9
391.11996	6.9
401.10324	6.2
419.11472	100.0
419.28418	4.2
420.11725	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	417.2505
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.73130	0.3
54.15919	0.3
54.94055	0.3
55.01771	4.7
57.03339	4.8
58.00483	2.8
59.01265	74.7
60.01609	0.8
61.98733	0.6
61.99271	0.4
66.19438	0.3
68.99723	0.6
69.03363	0.7
69.31796	4.0
71.01270	100.0
72.01613	1.0
72.99207	3.6
73.02838	22.5
74.03185	0.3
75.00757	2.0
76.92458	0.3
79.94887	0.4
81.03384	0.8
83.01273	10.7
83.04906	0.4
85.02843	38.3
86.03173	0.7
87.00769	4.4
87.04417	1.6
89.02338	42.3
95.01273	7.2
97.02856	2.3
99.00780	9.4
101.02347	68.8
102.02679	1.5
111.00783	0.7
112.01564	0.6
113.02357	40.9
114.02703	1.0
119.03420	16.9
124.33188	0.4
125.02352	2.4
127.00365	0.4
129.01866	1.1
131.03421	1.7
143.03438	6.5
149.04497	1.4
159.02939	8.5
161.04501	47.4
162.04869	1.4
179.05585	6.5
195.08150	1.1
196.84990	0.4
199.27946	0.3
205.03506	2.1
213.09163	0.6
255.19707	2.9
269.10446	0.6
269.17786	0.4
278.55875	0.4
352.59967	0.4
410.80875	0.4
417.25082	62.5
418.20328	0.7
418.25400	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57554	0.2
53.30470	0.2
55.01768	0.3
57.03340	0.6
59.01265	100.0
60.01604	1.1
60.75204	0.2
63.04486	0.2
68.26083	0.2
69.71497	1.3
70.82388	0.2
70.99353	0.2
71.01272	5.7
72.99207	0.3
73.02831	2.4
74.98561	0.2
75.00742	0.4
83.01302	0.9
85.02850	2.7
87.00813	0.6
89.02355	1.5
95.01275	0.7
96.95947	0.3
97.02850	0.3
99.00802	0.9
101.02345	5.2
103.14614	0.2
113.02350	2.2
119.03455	0.3
129.01959	0.3
143.03433	0.4
159.02972	0.3
161.04501	2.4
179.05588	0.4
200.42865	0.2
225.14960	0.4
227.12962	0.6
237.15071	0.4
255.16110	0.4
263.14642	0.2
269.14044	0.9
287.15112	2.0
375.24066	1.0
417.12216	0.5
417.17114	0.5
417.21783	0.8
417.25616	4.8
418.25696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
59.01266	26.5
71.01242	4.9
73.02824	3.0
75.00723	1.0
85.02847	2.5
87.00771	1.3
89.02364	1.2
93.03366	1.8
95.01288	4.9
101.02337	3.8
101.73321	0.9
105.03347	1.2
107.04926	1.1
108.02068	7.7
109.02865	12.8
115.00279	2.2
119.01299	1.1
119.04952	9.1
121.02892	5.9
123.00792	1.7
123.04438	4.8
124.01580	2.1
125.02383	2.2
129.03394	1.9
132.02103	9.6
133.02917	4.8
134.03656	12.1
135.04391	3.0
136.01599	18.1
137.02391	9.5
138.03128	3.3
139.03857	1.1
145.02879	3.2
146.03658	6.3
147.04457	66.9
148.05052	2.3
149.02371	2.5
149.06033	6.3
151.03935	11.6
153.01855	4.3
153.05513	10.7
155.03462	2.4
158.03659	5.0
159.04454	14.9
160.05115	2.5
161.05984	2.2
162.03180	1.4
163.03961	3.1
164.04745	30.8
165.05125	1.7
167.03419	2.4
167.10736	1.2
173.06052	3.1
174.03159	1.2
175.03949	2.6
175.07649	1.3
176.01082	4.3
177.05540	5.2
178.02673	10.2
179.03462	1.0
185.06039	1.8
187.03964	1.0
187.09686	1.8
187.64240	1.0
189.05540	1.2
190.06297	2.9
191.07127	1.6
192.04260	100.0
193.05025	57.2
193.06596	0.7
194.05397	3.7
197.06152	1.3
198.06789	1.7
208.03708	3.7
209.06055	1.3
211.07571	2.1
212.08351	1.1
213.05592	3.4
225.05446	1.4
227.03543	1.2
227.07164	1.9
227.12872	3.5
228.07808	1.1
229.08672	1.7
231.12341	3.8
237.05612	2.3
238.06306	3.2
239.07098	5.2
240.07942	6.6
247.32559	1.0
251.07130	2.6
252.07927	4.7
253.08672	2.5
255.06555	2.0
255.10347	6.3
256.07547	1.6
266.05853	3.6
267.06650	10.2
268.07465	27.8
269.07941	4.5
269.13879	1.6
271.09808	3.4
281.08356	2.4
282.09018	3.6
283.09848	42.0
284.07086	1.8
284.10153	6.2
285.11377	1.4
287.15085	12.4
288.06473	1.2
297.11362	12.4
298.08652	2.3
298.12048	15.8
299.09338	8.1
313.11008	5.2
316.09360	2.2
329.15067	3.5
331.12003	6.4
343.08401	1.8
359.20767	1.5
375.10760	1.4
386.10254	8.7
387.10764	3.1
389.16196	6.0
419.09995	10.4
419.18881	3.5
419.22955	6.0
420.09897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03332	3.4
58.00471	2.9
59.01266	70.6
60.01595	1.2
66.37509	0.6
69.03337	2.0
69.47686	5.8
71.01273	41.9
71.04900	1.1
72.99193	3.4
73.02853	3.6
81.03340	1.0
83.01260	2.6
83.04915	20.2
85.02848	9.7
85.06466	1.6
87.00747	2.6
87.04366	0.8
89.02339	46.8
95.01266	2.7
97.02834	0.8
98.19812	1.3
99.00750	2.6
99.04419	0.8
101.02350	30.5
101.05990	1.0
105.38520	0.6
107.08562	0.8
113.02358	16.9
115.03893	0.6
115.76582	0.7
119.03416	21.2
127.03901	1.7
131.03380	1.0
137.09645	12.2
138.09966	0.8
143.03413	3.6
145.05006	1.1
149.04491	1.3
161.04517	7.1
175.14928	1.2
179.05589	5.1
193.15892	1.1
214.04858	0.7
225.25560	0.6
237.14992	26.0
238.15280	1.6
255.06664	1.2
255.16025	5.7
255.19656	1.6
256.16321	0.8
327.30069	0.7
417.21277	100.0
418.21515	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	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57554	0.2
53.30470	0.2
55.01768	0.3
57.03340	0.6
59.01265	100.0
60.01604	1.1
60.75204	0.2
63.04486	0.2
68.26083	0.2
69.71497	1.3
70.82388	0.2
70.99353	0.2
71.01272	5.7
72.99207	0.3
73.02831	2.4
74.98561	0.2
75.00742	0.4
83.01302	0.9
85.02850	2.7
87.00813	0.6
89.02355	1.5
95.01275	0.7
96.95947	0.3
97.02850	0.3
99.00802	0.9
101.02345	5.2
103.14614	0.2
113.02350	2.2
119.03455	0.3
129.01959	0.3
143.03433	0.4
159.02972	0.3
161.04501	2.4
179.05588	0.4
200.42865	0.2
225.14960	0.4
227.12962	0.6
237.15071	0.4
255.16110	0.4
263.14642	0.2
269.14044	0.9
287.15112	2.0
375.24066	1.0
417.12216	0.5
417.17114	0.5
417.21783	0.8
417.25616	4.8
418.25696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01586	0.8
61.98714	0.5
66.71085	0.3
70.68784	1.1
71.01272	1.9
73.02851	0.7
83.01284	0.4
83.04941	0.7
84.99216	0.4
86.03259	0.4
88.46867	0.3
89.02354	1.1
89.49465	0.3
97.06485	0.3
101.02351	1.1
111.08064	2.1
113.02372	1.5
114.19891	0.3
121.02901	0.7
125.09660	1.6
149.74651	0.3
161.04549	0.4
173.08188	1.5
187.09834	1.2
193.15950	3.5
211.17046	9.5
212.17451	0.7
231.63408	0.4
237.14868	0.6
255.16063	14.1
256.16611	1.0
277.90869	0.3
417.21667	2.0
417.26401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	0.8
69.38099	0.6
69.38527	0.6
71.01289	0.4
74.99619	0.1
85.02872	0.2
97.40150	0.1
98.19811	0.3
101.02356	0.2
105.03015	0.1
113.02388	0.2
190.85461	0.1
282.48926	0.1
315.18286	0.2
388.37598	0.1
417.21225	0.2
432.04587	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44704	0.5
55.17159	0.5
57.03351	0.6
59.01263	100.0
60.01604	1.1
61.98716	1.0
71.01274	4.1
71.60766	0.8
73.02814	0.6
75.00751	1.0
78.31243	0.5
85.02847	1.8
87.00790	0.8
89.02354	2.1
96.95930	0.6
101.02360	2.3
101.72710	0.6
113.02378	1.7
119.03413	0.8
121.02876	0.8
161.04541	1.1
172.05574	0.5
179.05533	0.5
211.13469	0.6
254.03958	0.6
272.70651	0.5
357.26434	5.6
375.24075	0.8
417.09604	1.4
417.17834	1.2
417.23404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97599	0.2
53.92542	0.3
59.01266	100.0
60.01604	0.9
61.98721	0.4
71.01283	1.3
83.01283	0.3
85.02874	0.3
87.00776	0.3
89.02354	0.8
98.19763	0.5
101.02338	0.8
113.02362	0.7
121.46828	0.3
139.43587	0.2
146.38762	0.3
179.05583	0.3
193.15976	1.0
208.32376	0.2
237.14886	0.3
240.04343	0.6
255.06763	0.6
255.16144	0.6
417.12097	1.2
417.21588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.5
57.03334	1.5
58.00469	0.5
59.01266	100.0
59.63860	0.3
60.01612	1.2
60.27304	0.3
61.01703	0.5
61.98718	9.8
69.03331	0.4
71.01272	29.8
71.61334	0.4
71.61743	0.5
72.01611	1.2
72.99199	1.7
73.02835	9.6
75.00778	2.5
78.30730	0.4
83.01277	4.4
85.02840	12.7
87.00776	16.8
89.02335	9.7
90.02695	1.3
91.02780	0.8
93.03387	0.6
95.01276	1.9
96.95915	2.4
97.02879	0.9
99.00778	4.0
101.02350	20.3
101.91511	0.3
102.02697	0.8
109.02893	0.5
109.72128	0.4
110.12312	0.3
111.08092	0.6
113.02354	12.0
117.03435	0.6
119.03445	2.6
121.02868	1.4
123.04443	10.2
123.05305	0.7
125.02375	1.2
129.01897	1.3
130.99803	0.7
131.03452	1.4
134.03656	6.1
136.01549	0.4
137.02382	0.8
139.07576	4.9
143.03415	2.3
147.04482	0.9
149.02390	5.1
149.04506	3.3
149.06122	0.6
150.04829	0.9
151.04988	1.1
159.02928	3.6
159.04158	0.5
161.04503	37.3
162.03348	0.6
162.04803	0.9
163.03992	1.4
164.04752	3.3
165.09169	2.9
175.02524	0.4
177.09180	0.9
179.05605	0.9
179.07111	0.5
179.58360	0.4
193.04987	3.5
195.05019	0.3
195.10335	1.3
205.03485	2.2
208.03833	0.5
211.04106	0.5
223.06163	3.3
223.13426	0.5
225.11362	0.4
229.08643	0.5
254.05910	0.7
255.06718	0.4
257.08307	0.4
269.14194	0.8
271.09659	0.4
281.03998	0.4
281.06763	1.4
285.07822	0.8
285.13483	2.9
299.09418	0.6
331.17715	0.7
355.08313	0.7
357.15607	23.8
358.15866	2.2
363.07303	0.6
373.13055	2.8
381.08371	1.4
394.94763	0.4
399.16702	1.8
417.12189	7.1
417.17853	9.9
418.12646	0.9
418.18265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32550	2.2
59.01266	100.0
71.01273	16.3
73.02830	4.2
75.00746	2.5
75.74451	1.9
78.95792	5.6
85.02837	5.8
89.02327	8.4
90.87691	2.5
99.00777	3.0
101.02352	12.1
111.71070	2.3
113.02348	6.4
119.03405	6.4
133.02881	6.1
149.04523	2.3
161.04482	3.6
165.05502	2.7
181.12447	2.0
198.36447	1.9
213.11577	2.0
241.14418	4.2
255.06656	5.8
284.03354	2.8
285.13651	10.9
297.04184	5.2
298.04852	2.8
299.05786	5.1
327.05197	27.9
357.06216	6.4
417.08301	8.5
417.21524	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31646	0.5
55.01779	0.8
57.03336	2.2
58.00483	1.4
59.01266	100.0
60.01610	1.6
61.98720	61.6
62.98432	1.0
63.99143	1.0
69.67863	4.6
70.05524	0.5
71.01270	33.1
72.99206	2.4
73.02845	5.8
75.00773	4.0
83.01304	2.0
85.02841	8.9
85.36942	0.6
87.00775	5.1
89.02341	30.5
90.02680	1.1
95.01310	2.4
97.02879	1.1
99.00782	3.0
101.02348	18.9
102.02669	0.7
105.01857	1.3
113.02354	13.3
119.03423	12.4
123.04439	1.2
125.02335	0.6
128.03450	0.8
131.03415	2.6
143.03452	4.2
147.02972	0.8
149.04527	2.0
157.06123	0.6
159.02991	2.0
161.04510	24.7
162.04883	1.0
177.09192	3.5
179.05589	7.9
181.08670	0.6
195.10243	2.8
205.03651	1.0
237.11342	0.9
278.33350	0.6
320.09296	1.8
346.52121	0.7
357.15625	36.0
358.15948	3.5
399.16135	0.7
417.08676	0.7
417.17722	8.6
418.18176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.1
59.01268	23.1
61.98722	12.3
64.95132	60.2
68.01305	4.4
70.02914	2.2
70.88592	2.1
71.01271	29.1
71.99020	5.4
72.99790	4.5
73.96941	3.3
74.00582	5.1
83.99042	4.8
86.02367	12.5
88.95152	7.6
89.02364	2.6
94.02879	17.4
95.02390	11.8
98.19845	5.3
99.98513	11.4
101.02320	2.8
102.98499	10.6
105.97826	9.3
109.03973	15.0
112.00319	52.5
114.01876	8.4
122.02411	25.9
127.98098	2.8
137.03490	48.0
138.01869	8.6
138.03831	2.4
141.01204	5.9
145.99113	29.1
146.99556	2.0
155.04570	3.5
161.04474	3.3
165.02989	6.2
169.00693	3.7
183.14014	2.5
202.99641	5.8
216.07860	2.8
223.29987	2.5
247.13771	3.1
270.15491	3.1
279.11023	19.4
288.16544	4.8
310.20102	2.2
328.39664	2.2
340.15900	10.7
351.19336	100.0
352.19696	10.4
355.17194	11.2
357.18713	7.8
374.14725	7.0
381.16827	11.0
383.16571	19.0
417.15198	22.1
418.10678	3.1
418.15714	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16277	1.5
59.01276	15.2
61.98709	5.6
64.94788	3.5
64.95132	66.8
68.01306	4.2
70.10505	8.3
71.01272	27.0
71.99014	6.3
72.99802	3.0
73.96921	3.6
74.00586	4.9
75.00781	1.8
83.99026	5.2
86.02372	14.3
87.98499	3.0
88.95149	6.0
89.97104	1.4
94.02872	18.2
95.02411	11.2
97.96440	1.4
98.02374	1.7
99.98531	11.4
102.00108	2.5
102.98483	11.3
105.97833	8.3
109.03983	14.8
112.00320	59.3
114.01878	8.3
116.98769	2.9
122.02395	34.0
126.00161	3.4
127.98086	2.3
137.03496	50.8
138.01909	10.9
138.03818	1.9
141.01215	7.6
145.99109	34.5
165.02998	7.4
169.00681	6.2
173.06070	1.9
192.95857	2.0
202.99547	5.8
224.20430	2.1
228.16110	2.6
247.13794	2.1
253.96182	1.8
270.15475	2.8
279.10995	13.5
280.49155	1.5
282.17148	1.9
284.18707	2.1
288.16461	3.3
307.20331	2.3
310.20285	2.1
340.15948	9.5
341.16241	1.8
349.18137	1.8
351.19312	100.0
352.19678	11.0
355.17142	13.4
357.18585	7.2
362.20343	1.6
365.15826	1.8
374.14636	7.2
381.17059	8.5
382.16852	2.6
383.16531	22.1
384.16809	2.4
417.10028	2.5
417.15213	26.0
418.15765	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.12
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
56.50973	0.2
59.01263	3.9
65.00217	0.5
69.34729	1.0
69.35152	1.8
71.01265	1.2
73.02822	0.5
75.00775	0.3
83.55640	0.2
85.02830	0.6
87.14133	0.3
89.00218	1.0
89.02335	0.4
89.03836	0.3
91.01791	2.0
91.05443	0.3
93.03421	0.3
96.99212	5.6
101.02317	0.3
103.14401	0.2
106.00497	0.9
108.02055	1.0
109.02843	1.5
117.03376	1.4
121.02871	8.6
122.03215	0.4
123.00797	0.9
123.04434	3.9
124.01560	1.1
125.02354	0.3
132.02158	0.5
133.02873	0.7
134.03659	13.1
135.04306	0.5
137.02373	0.7
138.03154	0.8
139.03915	1.4
145.02882	2.4
146.03680	5.0
147.04456	2.5
148.01619	0.7
148.05235	0.5
149.02376	10.5
149.04799	0.3
149.05981	1.5
150.02974	0.6
151.03906	0.6
152.01186	0.3
153.05493	3.9
158.03685	4.8
159.04462	7.0
160.01596	1.6
160.04951	0.4
161.02400	4.2
161.04662	0.6
161.06030	2.2
162.03185	3.9
163.00365	0.4
163.03955	4.6
164.04724	5.9
173.02344	1.6
173.06035	3.0
174.03204	4.2
175.03894	1.3
175.07536	0.3
176.04768	2.8
177.05466	0.5
178.02686	1.7
178.06406	0.4
179.07144	0.6
187.03993	0.6
188.04794	2.0
189.01865	0.4
189.05539	5.7
190.02728	0.6
191.03493	0.4
191.07100	1.1
193.01350	0.9
193.05025	4.8
194.05327	0.4
203.07103	1.7
205.05045	0.6
208.03802	1.4
211.13388	0.9
223.06097	3.0
225.05492	0.5
226.06407	0.4
237.05518	0.4
240.07863	0.4
253.05052	0.5
254.05792	0.9
255.06561	0.4
255.12474	0.8
256.03787	0.4
264.04343	0.7
265.05109	1.4
266.05844	0.8
271.06345	1.2
279.06815	0.4
281.04584	2.9
281.07642	0.4
281.88684	0.3
282.05423	3.7
283.06189	1.4
284.06998	1.0
286.08542	1.0
292.03949	0.5
293.04684	0.9
294.05310	0.5
295.06201	0.4
295.09796	0.6
296.07007	4.6
297.04117	0.8
297.07632	4.8
298.04904	0.7
298.08514	1.4
299.09256	2.7
301.10947	1.1
307.06525	0.4
309.04156	0.8
309.07751	0.4
310.04916	3.6
310.08414	0.7
311.05795	0.3
311.09302	7.9
312.10065	2.9
313.10870	1.8
314.11557	1.6
324.06384	0.3
325.07251	8.8
326.07724	1.0
327.05289	1.2
327.12201	0.3
339.08936	0.8
340.09521	5.1
341.10010	0.3
355.11945	5.7
356.12341	0.5
357.06232	0.7
369.06284	1.3
373.13016	0.8
384.08548	1.1
399.11020	4.1
400.11441	0.4
417.12030	100.0
418.12344	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	417.1201
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
56.86017	0.5
57.03344	0.5
59.00963	0.8
59.01262	12.2
61.98724	2.6
65.00215	1.0
71.01260	4.4
71.09512	0.6
71.09837	0.8
72.68005	0.4
72.99185	0.4
73.02824	0.8
75.00775	0.7
85.02845	1.3
87.00770	1.2
87.04411	0.6
89.00195	0.7
89.02336	2.1
91.01803	2.4
95.01301	0.6
96.99214	7.3
99.00808	0.6
101.02354	1.4
106.00502	0.8
108.02085	1.3
109.02872	2.7
111.00830	0.6
113.02383	1.2
117.03367	1.6
119.03398	0.7
119.04993	0.9
121.02875	12.2
122.03233	0.6
123.00823	0.7
123.04444	5.3
124.01586	1.1
125.02338	0.5
129.05487	1.0
133.02881	2.1
134.03662	15.9
137.02374	1.8
139.00313	0.5
139.03937	1.1
145.02904	2.7
146.03670	5.9
147.04492	2.8
148.01601	1.2
148.05299	0.5
149.02383	10.0
149.04317	0.5
149.06009	1.8
150.03102	0.5
151.03938	1.4
153.01892	0.9
153.05522	5.4
158.03680	4.9
159.04454	7.9
160.01617	1.6
160.04988	0.5
161.02396	4.2
161.04640	1.0
161.06047	2.7
162.03143	3.6
163.00389	0.8
163.03963	4.7
164.04707	6.5
167.03415	0.6
173.02403	1.5
173.06029	3.7
174.03174	4.4
175.03944	2.3
176.04723	3.5
177.05438	0.7
178.02713	1.8
178.06332	0.5
179.07155	0.8
181.05095	1.2
187.03957	0.8
188.04764	2.5
189.01933	0.7
189.05545	7.8
191.07077	0.8
193.01450	0.6
193.05060	5.1
194.05418	0.6
195.10252	0.7
203.07225	1.5
205.05046	1.1
208.03828	1.8
211.04016	0.6
211.13399	1.1
217.04962	0.5
223.06073	4.0
223.09631	0.6
225.05511	0.8
227.07259	0.6
237.05542	0.5
238.06215	0.6
248.29544	0.7
253.05031	0.9
254.05859	1.2
255.06596	1.2
255.12454	1.3
265.05139	1.4
269.08292	0.8
271.06204	1.5
280.07425	0.9
281.04675	3.0
281.07938	0.8
282.05334	3.2
283.06104	1.5
284.03485	1.3
284.06982	1.6
285.04132	1.5
285.13519	0.9
285.16858	0.5
286.08734	1.3
292.04050	0.6
293.04749	1.2
294.05414	0.6
296.07013	3.9
297.04141	2.5
297.07782	5.7
298.04926	2.7
298.08441	1.4
299.05627	1.7
299.09369	3.6
301.10983	1.6
309.04245	0.9
310.05002	4.0
310.08344	0.9
311.05646	1.3
311.09262	11.2
312.10013	3.8
313.10931	1.9
314.11517	2.8
325.07236	12.8
325.10873	0.8
326.07648	1.0
327.05173	7.5
328.05624	1.0
339.05069	1.2
339.08917	1.1
340.09543	6.9
355.11929	6.8
356.12268	0.8
357.06204	5.5
363.54611	0.5
369.06241	1.7
384.08786	1.3
399.06638	0.7
399.11142	5.1
400.11469	0.6
417.12119	100.0
418.07465	0.9
418.12500	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31831	0.2
57.03352	0.3
59.01268	1.8
62.09693	0.3
69.03349	0.3
71.01268	3.1
71.14487	0.6
73.02838	1.2
85.02838	3.8
87.00822	0.3
89.02338	1.0
90.86655	0.2
92.76485	0.3
95.01301	2.0
99.00762	0.5
99.31996	0.3
101.02354	0.5
108.02079	66.6
109.02890	20.4
110.03213	1.0
121.02912	0.5
123.00788	2.1
123.04385	0.5
129.01852	0.3
131.03413	0.4
133.02899	0.7
135.04485	0.5
151.03957	2.6
152.01094	100.0
153.01547	4.3
155.06018	0.3
163.03986	2.4
175.03822	0.3
177.01961	0.3
179.03448	0.5
191.02058	0.4
209.03043	0.3
223.06232	0.5
241.07175	3.0
242.07643	0.3
285.06274	0.8
417.10464	94.9
418.10806	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96871	2.6
57.03336	7.4
59.01041	2.7
59.01270	30.3
59.63940	2.5
61.98686	4.0
67.01769	3.4
69.03361	4.4
71.01271	36.4
71.62308	4.9
72.99186	12.4
73.02847	3.4
75.00767	23.3
83.87958	2.7
85.02839	43.6
87.00764	15.4
89.02342	14.1
91.01788	12.1
95.01298	14.7
97.65367	2.6
99.00777	18.4
101.02333	9.4
108.02068	7.9
109.02843	11.8
113.02349	36.2
115.00277	4.9
117.01861	4.5
119.03419	3.1
121.02859	3.3
123.00814	3.7
123.04446	58.8
129.01845	4.4
131.69464	2.9
151.00298	3.6
151.90985	2.5
152.01068	5.0
153.01843	10.7
167.03441	94.7
168.03853	5.4
175.02461	6.4
191.01909	6.2
195.06551	2.9
226.04875	3.6
227.05525	7.1
241.07249	6.4
249.03850	4.0
249.06210	48.3
267.07321	24.7
294.68872	3.1
399.09543	12.4
417.10388	100.0
417.17569	18.9
418.10474	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	416.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.2
59.00959	0.3
59.01264	7.7
61.98717	100.0
62.98410	0.2
66.84735	0.1
70.98563	0.2
70.98885	0.4
71.01273	3.0
72.99223	0.2
73.02840	0.5
75.00766	0.2
83.01301	0.2
85.02842	1.1
87.00784	0.9
89.02341	2.6
99.00798	0.2
101.02345	1.7
105.01903	0.1
113.02342	1.6
119.03433	1.3
123.04401	0.2
125.02464	0.1
143.03453	0.4
161.04504	2.3
177.09166	0.3
179.05556	0.8
193.12148	0.1
195.10278	0.2
211.10382	0.1
235.37843	0.1
255.09225	0.2
276.76425	0.1
283.13742	0.1
357.15646	3.2
417.17599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30201	0.4
53.50348	0.4
59.01264	5.6
69.58115	1.2
69.58537	2.0
73.02822	0.5
75.28400	0.3
83.01254	0.6
85.02847	0.4
89.02362	0.6
101.02338	0.6
107.01279	0.5
123.00793	0.5
125.02392	0.4
151.00301	1.5
154.74867	0.5
158.72545	0.4
163.00250	0.5
173.42615	0.4
183.04463	1.0
187.03992	0.6
193.63107	0.4
211.03984	1.3
211.13330	0.9
227.03502	65.0
228.03894	4.4
229.04991	1.5
234.69548	0.4
239.03529	0.8
255.03026	80.4
255.12300	3.7
256.03589	11.6
257.04361	0.9
284.03323	75.5
285.04001	18.9
286.04437	1.0
327.05148	1.1
342.30627	0.4
417.08353	100.0
418.08670	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	415.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31488	0.2
57.03333	0.9
59.01266	100.0
59.96920	0.2
60.01603	1.1
71.01274	5.3
71.63426	0.3
72.99219	0.5
73.02825	1.5
78.84777	0.2
83.01289	0.7
84.24225	0.2
85.02851	3.3
87.00780	0.5
89.02335	2.7
95.01322	0.3
98.20248	0.3
99.00781	0.4
101.02345	4.0
113.02350	2.7
114.44904	0.2
119.03426	1.0
121.02872	8.4
122.03217	0.3
143.03496	0.4
159.02892	0.4
161.04512	2.2
163.63229	0.2
165.12964	0.3
179.05632	0.7
181.06631	0.7
183.13928	1.0
190.87753	0.4
193.07141	0.4
201.37071	0.3
212.06282	0.2
225.05637	0.6
227.12869	0.3
235.13222	0.2
250.19359	0.2
253.18198	0.3
272.23279	0.3
355.12466	0.5
357.06244	6.0
358.06699	0.8
370.25702	0.3
373.22433	2.6
374.23026	0.4
392.94901	0.3
415.23642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.3
57.03329	0.5
59.01266	100.0
60.01607	1.3
61.98729	0.4
67.95282	0.2
71.01271	6.8
72.99181	0.4
73.02842	1.9
79.95607	0.3
80.76361	0.2
83.01275	1.2
85.02846	3.7
86.09601	0.2
87.00785	0.6
89.02341	2.3
92.39380	0.3
95.01333	0.7
97.02875	0.3
99.00788	0.8
101.02344	4.7
110.59903	0.2
113.02366	2.7
119.03427	1.3
125.02451	0.4
129.01900	0.3
149.06064	0.8
159.02911	0.3
161.04507	1.6
175.71248	0.2
179.05612	0.8
193.05077	0.5
195.13924	1.1
205.03769	0.2
239.13019	0.4
253.18280	0.3
283.06149	0.4
311.05704	0.4
355.12692	0.5
355.21393	0.4
373.22394	3.4
374.22699	0.6
415.09961	0.3
415.15079	0.3
415.23642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03328	0.8
58.11653	0.3
59.01264	100.0
60.01598	1.1
61.98715	0.5
69.03371	0.4
69.48350	2.3
71.01267	5.6
72.99211	0.5
73.02847	1.2
75.00775	0.8
83.01274	0.6
85.02850	2.2
87.00787	0.6
89.02332	2.0
95.01302	0.5
99.00787	0.6
101.02347	3.7
101.02938	0.4
103.50397	0.3
109.79204	0.3
113.02354	2.4
119.03449	0.6
143.03397	0.4
147.03049	0.3
161.04509	2.0
164.70595	0.3
165.04018	0.7
179.05600	0.3
188.07191	0.4
202.99789	0.4
223.13376	1.3
250.38609	0.3
252.04384	0.5
267.12506	1.0
268.12677	0.3
281.04712	0.4
339.09915	0.9
368.71234	0.3
373.22369	1.5
415.15567	0.6
415.24078	0.6
419.11566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15545	0.9
59.01266	100.0
60.01603	1.6
67.43508	0.9
69.56414	2.7
69.56835	5.1
78.92574	0.9
88.39278	1.1
89.02338	1.4
91.41017	0.9
98.20526	2.2
99.61891	0.9
100.15271	0.9
130.13620	1.0
288.75546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1982
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
56.16666	0.4
58.32185	0.3
58.57831	0.3
59.01263	100.0
60.01592	0.9
71.01289	1.0
71.35828	0.7
73.02870	0.4
83.01290	0.4
85.02878	0.6
88.83611	0.3
89.02338	0.8
101.02379	1.0
113.02285	0.3
119.03431	0.3
140.46370	0.3
148.46664	0.3
189.44753	0.3
191.47392	0.3
202.47072	0.3
240.81595	0.4
339.20029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23571	0.3
55.01764	0.3
57.03338	0.3
59.01264	100.0
60.01608	1.0
61.83875	0.3
61.98719	0.5
69.79301	1.6
71.01273	3.3
72.99181	0.4
73.02836	0.8
75.00776	0.3
83.01283	0.6
85.02840	1.7
87.00841	0.3
89.02327	1.9
92.13508	0.3
95.01340	0.3
101.02344	2.0
113.02378	1.1
119.03439	0.8
125.65275	0.3
154.99715	0.4
161.04532	1.2
179.05673	0.3
183.13910	0.3
209.15540	0.3
227.12833	0.4
234.32129	0.3
253.10768	0.7
268.07559	0.3
327.12280	0.4
353.10580	0.3
373.22485	0.4
415.23514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01765	0.5
53.38745	0.5
57.03333	0.7
58.00500	0.7
59.01267	100.0
60.01620	0.9
61.98716	0.7
64.42972	0.5
65.45296	0.5
69.36825	1.6
69.37246	4.1
71.01273	14.6
72.99208	1.7
73.02860	1.2
75.00771	1.2
80.72547	0.5
83.01321	0.6
83.59516	0.6
85.02836	3.8
87.00805	1.1
89.02341	26.5
90.02703	0.8
93.03352	0.7
98.20556	1.0
99.00829	0.8
101.02344	4.1
113.02379	3.6
115.00291	0.7
117.03407	1.9
119.03452	2.1
121.02879	0.9
129.06638	0.6
131.03424	6.8
135.00784	1.0
137.02399	1.0
149.04504	16.1
153.01929	0.7
157.18419	0.6
161.04619	0.9
163.11237	0.9
179.05667	0.5
209.06673	1.8
217.12459	0.5
223.04056	1.3
241.47357	0.5
252.04320	8.5
253.05060	9.1
253.07275	0.6
254.05499	0.8
283.12231	1.3
384.36469	0.6
415.10635	5.9
415.15881	0.8
415.20316	0.8
416.11124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30417	0.6
54.47484	0.6
54.62949	0.5
59.01262	7.0
70.07684	0.6
71.01273	1.4
71.62696	0.7
73.41040	0.6
74.98984	6.7
77.00553	76.1
78.00923	0.8
85.02830	1.1
89.02340	1.8
91.16799	0.6
97.06510	0.8
99.04409	1.4
101.02377	0.8
113.02371	0.8
119.03371	1.2
145.26157	0.6
147.08098	2.4
149.09663	1.4
163.11217	1.9
171.43494	0.7
179.05586	0.8
187.11200	2.9
191.65598	0.7
273.22281	5.1
279.13989	0.8
280.14658	1.0
289.21799	1.0
307.17078	0.7
309.22461	1.8
325.25223	0.7
329.24789	0.7
337.21802	100.0
338.22116	13.8
355.12488	2.5
371.26013	2.0
415.23242	17.8
415.28690	10.4
416.23608	2.1
416.28665	1.3
428.41940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57818	4.8
59.01271	49.8
65.70387	5.2
71.01262	32.0
71.59779	8.2
72.99193	16.7
73.02836	7.6
75.00753	8.4
77.09943	6.2
85.02864	29.6
87.00768	12.5
89.02345	17.0
91.00272	18.8
101.02354	17.5
108.02089	6.6
109.02855	17.4
113.02352	11.7
119.03382	9.3
121.02869	100.0
129.01874	8.7
147.04427	7.9
149.04523	8.2
152.01071	12.2
153.01826	13.1
167.03418	14.9
179.05598	6.3
187.07617	6.5
191.01929	11.3
191.03500	13.1
206.05804	13.1
221.08180	17.3
263.05612	10.9
267.06628	30.9
283.12003	7.9
295.06201	13.1
355.10349	22.6
415.13739	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1619
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.88357	0.2
55.01773	0.7
57.03334	1.2
58.00484	2.8
59.01265	100.0
60.01602	1.1
61.86756	0.3
69.03365	0.6
69.33189	2.4
71.01270	61.7
72.01613	0.7
72.99198	3.0
73.02837	9.5
75.00786	0.3
81.03350	0.3
81.61774	0.2
83.01279	2.6
85.02848	10.1
87.00784	2.6
89.02337	79.3
90.02687	1.6
95.01295	1.4
97.02848	0.7
98.19852	0.5
99.00796	2.4
101.02347	29.9
102.02689	0.5
108.64658	0.2
108.65449	0.3
109.02795	0.3
110.54040	0.2
113.02357	13.1
116.66103	0.2
118.93678	0.2
119.03426	8.7
125.02390	1.3
131.03429	19.0
132.03752	0.5
143.03424	1.7
149.04500	33.7
150.04823	1.0
161.04510	1.6
179.05580	4.6
179.06944	0.2
181.01047	0.2
191.03761	0.5
191.05573	7.4
209.06624	0.4
221.06705	0.3
234.05392	0.4
251.07585	0.5
283.11908	0.9
298.34143	0.3
351.13971	0.3
397.21082	0.3
413.21832	0.3
415.15662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.7
57.03339	14.2
58.00479	0.5
59.01267	17.5
68.99709	0.5
69.86253	2.7
71.01276	9.1
72.99187	2.6
73.02835	2.1
75.00766	2.8
80.11110	0.4
83.01297	2.2
84.02060	2.1
85.02845	100.0
86.03172	2.2
87.00784	2.4
89.01827	0.7
89.02340	9.2
90.13869	0.4
95.01308	0.5
98.20449	0.6
99.00806	0.7
101.02338	5.5
103.00284	3.6
111.00753	0.7
113.02338	2.9
115.00269	0.6
117.01833	2.0
119.03431	2.8
129.01868	10.0
133.01396	0.6
143.03423	0.8
147.02942	10.4
149.02371	3.0
149.04495	0.8
161.04482	2.2
164.04729	1.8
173.00824	1.7
179.05576	4.2
191.01956	33.3
192.02290	1.0
193.07104	3.1
209.03017	11.7
223.06175	1.8
355.12518	10.7
372.23816	0.5
415.14166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.4
57.03339	12.0
58.77069	1.0
58.77376	1.0
59.01268	11.4
61.98733	1.1
69.76556	7.1
71.01266	5.8
72.99214	2.8
83.01289	1.8
84.02071	2.2
85.02843	100.0
86.12289	1.1
87.00779	2.3
88.98717	2.1
89.02347	2.2
101.02363	2.2
103.00272	1.6
111.00782	2.0
129.01880	7.5
130.51552	0.9
147.02936	14.7
149.02400	2.2
149.06149	1.3
163.03888	1.2
164.04675	1.7
191.01949	41.3
205.03479	1.8
209.02998	6.9
223.04472	1.5
223.06293	1.4
277.34985	1.2
348.81735	1.3
415.12015	1.3
415.16818	1.5
438.63519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.6
57.03338	14.2
58.00454	0.4
59.01262	7.3
61.98694	0.3
68.99707	0.5
70.40359	1.4
71.01265	3.9
72.99203	1.6
75.00767	2.0
79.64938	0.4
83.01301	1.9
84.02061	2.5
85.02844	100.0
86.03177	1.8
87.00771	1.3
89.02346	1.3
94.31548	0.3
99.00764	0.7
100.02119	0.3
101.02351	0.6
103.00301	1.6
111.00774	0.7
115.00270	0.9
117.14100	0.3
121.02873	1.0
129.01868	10.2
130.02226	0.5
133.01312	0.7
134.03665	0.6
147.01791	0.6
147.02934	10.2
149.02365	3.7
163.02498	0.4
164.04762	1.9
173.00903	1.8
190.02423	0.3
191.01947	30.9
192.02299	1.1
193.05034	0.6
196.77513	0.3
209.03021	8.8
223.06195	1.8
289.47443	0.4
415.08676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	1.2
70.86201	0.6
71.96442	0.2
111.77671	0.2
148.35973	0.2
154.65961	0.3
165.58910	0.2
202.84293	0.2
255.03674	0.2
294.74908	0.2
324.86063	0.2
329.66693	0.2
413.31058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01610	0.7
65.05298	0.4
71.62683	0.6
219.36562	0.4
231.35042	0.4
386.20337	0.5
404.51727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
57.03336	13.4
59.01264	11.2
66.85760	1.1
68.99715	1.8
71.01274	10.4
71.59172	1.1
72.96297	0.9
72.99207	2.6
75.00766	2.7
82.59244	1.0
83.01294	1.9
84.02079	2.3
85.02843	100.0
86.03171	1.5
87.00789	2.9
89.02345	5.0
101.02352	1.7
102.87934	0.9
103.00291	1.2
113.02339	1.7
115.00336	1.0
119.03418	1.0
121.02885	1.6
129.01860	9.4
133.01352	3.5
139.88293	1.0
147.02945	9.4
149.02405	4.8
151.03871	1.0
164.04782	2.8
173.00862	2.5
178.06306	1.5
191.01949	38.2
191.03650	2.4
192.02251	2.6
209.03015	71.6
210.03355	2.5
223.06229	2.0
289.91211	1.0
333.02182	1.1
339.17593	1.0
369.12186	1.6
415.12592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2203
Annotation	Tentoxin
Peak:m/z	Relative Intensity
59.01037	0.7
59.01264	7.5
61.98711	1.4
63.77954	0.6
70.21310	2.7
71.01264	1.3
82.02883	1.5
83.02369	0.8
84.00791	0.7
84.04434	1.7
85.02843	1.2
85.03935	3.9
89.42609	0.7
91.05421	1.0
98.20488	0.8
101.07110	2.4
102.05508	5.3
102.45425	0.7
110.02391	1.3
110.30533	0.7
111.05545	1.1
112.02703	1.4
113.03486	7.0
113.07108	0.8
116.04979	2.3
117.03374	0.9
123.05563	3.4
127.05054	2.2
128.04971	1.3
130.08678	4.6
132.08096	2.0
141.06628	100.0
142.06940	3.0
153.10263	4.6
153.12830	1.1
154.06197	2.8
158.55122	0.6
160.07520	0.9
166.51230	0.6
167.04614	5.6
169.07695	0.9
169.09714	1.1
171.09216	0.8
180.11386	3.0
185.07230	0.9
186.07954	1.5
187.08891	0.9
189.10358	1.1
201.06685	1.0
203.08188	2.2
213.06642	1.1
214.05426	1.3
214.07472	22.4
215.08231	17.3
216.08615	0.8
217.09828	1.4
219.50166	0.7
228.09099	1.0
243.15015	5.4
246.12506	8.0
250.42311	0.6
253.08594	0.9
254.15131	2.9
256.12225	1.7
259.10889	2.3
271.14575	32.7
272.14935	2.2
295.13327	1.1
296.14035	2.5
296.17291	0.8
299.15225	0.9
310.15726	2.5
338.18478	1.2
339.18317	4.3
354.20837	1.2
356.19806	1.2
369.23038	8.2
370.23337	1.2
395.21136	0.8
413.22021	41.4
414.21793	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03334	1.1
59.01265	100.0
60.01606	1.1
63.73071	0.3
65.26275	0.2
66.00943	0.2
66.41197	0.2
70.90793	0.6
71.01270	10.1
72.99207	0.4
73.02835	3.8
76.62159	0.2
83.01272	1.8
85.02840	4.6
87.00792	0.4
89.02348	1.7
90.04838	0.3
95.01299	0.8
97.02875	0.3
99.00802	1.1
101.02349	6.9
113.02355	3.8
119.03419	0.4
125.02390	0.5
129.01878	0.3
138.55013	0.2
143.03406	0.4
143.62173	0.3
146.53470	0.3
159.02933	0.7
161.04506	2.9
177.06711	0.2
209.15463	1.7
353.19748	2.2
354.20203	0.4
371.20804	11.7
372.21182	1.1
413.21768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.9
57.03291	2.4
59.01261	62.3
61.37115	2.3
69.66121	9.9
69.66531	4.0
71.01262	42.6
72.99210	3.3
73.02826	17.6
83.01271	8.6
85.02843	21.1
87.00755	2.4
88.73042	2.3
89.02319	7.2
95.01262	5.5
96.95904	6.7
99.00783	5.4
101.02342	48.2
109.04687	2.5
113.02351	16.6
159.02991	2.6
161.04489	15.3
161.05780	3.6
189.05400	2.9
207.06696	2.4
221.10303	100.0
222.10591	5.3
341.70670	2.3
343.63791	2.2
353.14578	58.0
354.14673	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	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90641	0.2
55.01776	0.5
57.03327	0.8
59.01265	100.0
60.01615	1.0
63.00690	0.2
66.57145	0.2
68.87487	0.2
69.39296	1.4
69.39709	0.5
71.01271	7.7
72.99212	0.6
73.02834	1.7
75.00782	0.4
82.75621	0.2
83.01293	0.9
85.02843	3.6
87.00797	0.8
89.02340	2.6
95.01299	0.4
99.00802	0.8
101.02350	5.5
106.04144	0.2
109.02925	0.3
111.00816	0.3
113.02356	3.5
114.67722	0.2
117.03384	0.2
119.03448	0.9
121.06497	0.2
133.06537	0.3
137.09702	0.3
143.03438	0.5
159.02992	0.3
161.04504	2.1
189.12863	0.4
195.10284	0.4
207.13966	0.4
209.15462	1.0
212.53290	0.2
219.46361	0.2
251.12901	1.9
251.16591	0.7
281.04663	0.3
281.14145	0.3
295.06342	0.8
323.05533	1.0
353.19769	2.2
371.20825	4.6
372.21188	0.5
409.20850	0.2
413.09067	1.0
413.22159	2.2
425.30020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77882	0.2
54.75768	0.2
59.01266	100.0
59.37342	0.2
60.01606	0.7
63.70058	0.2
91.43200	0.3
98.19791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39332	0.4
59.01266	100.0
60.01603	1.3
62.66553	0.5
66.95242	0.5
67.42416	0.4
70.93608	1.3
97.42278	0.4
117.31668	0.4
132.30965	0.4
152.24942	0.4
155.88544	0.4
157.34450	0.4
157.42012	0.5
249.90176	0.4
310.95282	0.4
371.16562	0.5
379.92923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
55.06113	0.4
57.03334	0.5
58.00467	0.9
59.01264	100.0
60.01596	1.1
60.44332	0.4
64.06062	0.4
65.00542	0.4
67.11135	0.4
69.03337	1.0
69.51834	0.9
69.52235	2.7
71.01268	24.9
72.99195	1.1
73.02836	27.2
74.03186	0.4
78.19554	0.4
83.01278	7.5
85.02849	4.7
87.00783	1.0
89.02344	8.2
95.01289	1.5
98.20534	0.8
99.00771	0.8
101.02345	25.9
102.37934	0.4
113.02357	10.7
116.21548	0.4
119.03412	3.6
121.06552	0.5
125.02393	1.3
131.03467	2.4
137.09656	7.5
138.10036	0.5
143.03467	1.6
149.04515	1.2
155.03452	0.5
159.82520	0.4
161.04501	4.9
179.05620	0.9
183.85428	0.4
189.12820	1.3
207.14064	0.5
235.07307	0.4
252.12617	0.5
411.20160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03340	0.7
58.00479	0.5
59.01268	100.0
60.01618	0.9
61.98723	0.5
63.63437	0.3
69.03349	0.6
69.97248	1.6
71.01274	17.2
72.01601	0.3
72.99208	0.7
73.02837	13.3
74.03122	0.3
75.00799	0.5
81.03356	0.9
81.19991	0.3
81.45315	0.2
83.01280	3.7
83.04919	2.0
83.28469	0.3
85.02848	3.7
87.00787	0.9
89.02340	5.8
89.02843	0.5
95.01311	1.2
98.20530	0.6
99.00773	0.7
100.07589	0.3
101.02349	15.1
103.34100	0.3
111.00859	0.4
113.02361	8.1
119.03432	3.1
121.06522	0.6
122.03650	0.6
125.02397	1.2
131.03450	1.5
133.06496	0.3
137.09666	6.3
143.03429	1.7
149.04552	0.9
149.05983	0.3
161.04514	4.0
161.13330	0.5
163.40828	0.3
172.07660	0.6
179.05608	0.5
189.12872	1.0
190.08777	1.1
193.40768	0.3
199.18109	0.4
203.05600	0.4
205.12399	0.3
249.15082	0.7
374.22253	0.3
411.20630	0.6
411.27570	3.1
411.77814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70194	1.3
53.14323	1.3
57.03327	2.2
58.00492	2.8
59.01264	55.8
61.98734	1.3
69.57384	1.2
71.00907	2.5
71.01271	36.8
71.55519	2.1
72.99177	3.6
73.02843	2.3
75.00749	3.0
79.05424	2.8
81.03337	1.6
81.06995	1.8
83.01271	3.0
83.04914	3.8
85.02830	9.2
87.00778	3.7
89.02335	28.4
93.06926	1.4
95.01295	4.0
95.04910	3.8
96.95905	1.5
99.00813	1.9
99.04423	1.7
99.08107	1.5
101.02343	18.2
109.06501	1.6
111.04417	2.6
113.02357	22.7
115.07558	3.0
119.03413	11.0
119.04894	1.9
120.05704	1.5
128.03505	1.4
132.04478	1.7
133.06532	10.7
135.04437	2.7
143.00150	1.8
143.03467	2.3
143.08606	1.8
147.11752	2.5
149.04553	1.6
157.06497	3.2
157.10165	1.4
159.08072	4.4
159.11722	4.8
161.04483	4.2
161.13300	91.6
162.13629	4.3
164.04747	1.8
165.01942	2.1
171.08157	2.3
172.08893	2.4
179.05557	4.1
185.09665	2.9
185.13344	5.5
187.11250	47.4
188.11609	3.3
203.14467	2.2
205.12314	100.0
206.12674	8.1
215.14336	1.8
223.06099	2.3
229.12332	21.1
230.12721	2.3
247.13400	5.3
249.11349	58.5
250.11650	5.5
259.13666	1.5
261.08807	2.5
262.09122	3.2
263.09354	2.9
291.12521	2.5
349.23688	2.4
411.16159	2.5
411.23975	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	411.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
58.00481	0.6
59.01267	100.0
60.01612	0.9
61.98736	0.4
69.03333	0.8
70.76162	0.4
70.76527	1.1
71.01273	17.2
72.14055	0.3
72.99210	1.0
73.02840	16.2
73.57639	0.4
75.00770	0.5
79.81346	0.3
83.01279	5.5
85.02849	4.5
87.00773	0.5
89.02341	6.7
95.01307	1.5
97.02863	0.6
98.20380	0.3
99.00811	0.6
101.02351	16.9
113.02364	8.6
114.02753	0.3
119.03435	2.7
121.06522	0.6
125.02366	0.8
128.24954	0.4
131.03441	1.9
133.06505	0.3
137.09650	7.4
143.03455	0.8
149.04498	1.0
155.03529	0.5
161.04518	2.8
175.61024	0.3
179.05600	0.5
183.75533	0.4
189.12897	0.9
288.18341	0.3
369.75174	0.3
399.36703	0.3
411.20831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05925	0.5
58.02874	0.6
59.01263	100.0
60.01592	1.4
61.98713	9.9
71.01266	5.9
73.02834	1.8
74.02372	1.0
74.47218	0.5
83.01282	0.6
84.04480	0.7
85.02856	1.1
89.02358	0.9
90.53120	0.4
92.04982	0.6
93.64743	0.4
98.20573	1.1
101.02362	1.7
113.02372	1.5
116.03463	0.5
119.03471	0.6
128.03456	1.8
131.03682	1.4
132.04494	2.6
144.04486	0.8
157.07751	0.8
158.06047	1.1
161.04529	1.7
167.72359	0.4
175.08743	0.8
219.07809	0.7
261.08847	7.3
262.09091	0.9
279.22208	0.5
289.16745	1.2
307.17834	2.7
349.18774	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.9
56.07228	0.7
57.03338	2.8
58.00478	1.6
59.01265	100.0
60.01582	1.5
61.98702	2.7
62.00928	0.7
64.69429	0.8
69.03336	0.9
69.44932	1.9
69.45350	5.5
71.01270	50.3
72.99200	2.4
73.02834	7.7
75.00768	1.4
83.01270	3.9
84.88470	0.8
85.02837	13.7
87.00777	2.3
89.02337	37.4
90.02692	1.1
95.01284	2.5
96.95931	1.7
97.02898	0.8
98.19793	1.0
99.00781	3.4
101.02347	31.3
113.02356	18.1
119.03418	13.1
122.06103	0.8
125.02362	2.5
131.03421	3.4
143.03450	4.3
149.04482	3.3
159.02934	2.2
161.04486	14.4
179.05571	10.0
187.13475	1.1
233.06662	0.8
277.12976	25.2
278.13242	1.8
349.18732	17.4
350.18860	1.3
382.37094	0.9
409.17139	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	409.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.1
57.03341	3.6
58.00470	2.1
59.01267	98.8
60.01618	2.7
61.98716	4.5
68.73422	1.6
69.35966	1.7
69.53271	4.3
69.53680	9.2
71.01271	55.0
72.99223	6.5
73.02844	9.6
75.00763	6.3
83.01291	6.6
83.80988	1.5
85.02840	21.7
87.00798	6.1
89.02345	39.6
93.50388	1.9
95.01303	4.3
96.95918	1.8
99.00793	3.8
101.02355	38.6
113.02357	25.9
117.01882	3.3
119.03425	15.5
119.34390	1.7
121.02092	1.7
127.03929	3.4
129.01898	2.1
131.03453	2.3
143.03467	3.6
149.04460	1.8
150.03120	2.1
161.04495	21.1
165.05508	1.6
179.05568	8.6
187.13362	4.0
247.11981	2.0
247.15643	2.3
277.12823	8.2
349.18735	100.0
350.19110	8.3
383.83490	1.5
395.68457	1.7
409.12918	6.1
409.17798	2.3
409.21442	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	0.6
70.14188	0.5
70.14581	0.6
71.01283	0.3
78.95795	9.7
79.95626	1.8
86.36171	0.3
91.99715	0.3
96.95917	100.0
96.96836	18.3
97.95857	0.4
101.02354	0.3
105.75841	0.3
106.96623	0.3
110.98451	0.4
113.37265	0.3
155.49677	0.3
205.02226	0.3
229.08313	0.4
315.85678	0.3
321.12711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70549	0.1
54.07802	0.1
54.08981	0.1
55.90618	0.1
59.01270	0.8
61.34299	0.1
68.99693	0.2
71.01263	0.8
71.61972	0.2
72.99186	0.3
73.02827	0.3
75.00768	1.6
76.59024	0.1
78.95796	6.3
79.95624	1.9
82.58234	0.1
83.01285	0.1
85.00938	0.1
85.02849	0.4
85.40311	0.1
87.00754	0.3
87.97108	0.1
88.03914	0.2
89.02335	0.4
90.75059	0.1
96.95918	100.0
96.96826	12.0
97.95847	0.3
99.00780	0.3
101.02340	0.4
110.98444	1.3
111.00793	0.3
112.00932	0.1
112.98727	0.2
113.02346	0.1
113.49831	0.1
115.03958	0.1
145.01331	0.4
157.01337	0.2
185.09364	0.2
189.05789	0.3
229.08340	0.6
231.06831	0.2
232.05095	0.1
261.04364	0.2
262.06155	0.3
263.05899	0.3
347.73209	0.1
373.13586	0.3
409.07767	0.8
409.11789	2.7
409.17389	0.7
410.09653	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2006
Annotation	andiconin
Peak:m/z	Relative Intensity
52.00972	6.5
59.01263	100.0
61.98707	26.6
71.01264	13.7
85.02817	9.3
89.02319	14.1
94.12960	6.8
98.19828	14.0
100.24908	6.4
101.02341	14.9
113.02338	12.0
119.03487	8.8
149.71854	7.0
187.13333	15.8
222.48189	7.4
229.30215	8.2
236.74298	7.9
349.18451	9.6
409.20203	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	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
57.03326	2.0
58.00478	4.7
59.01264	100.0
60.01599	1.4
61.98722	0.8
69.03355	0.9
70.62865	0.9
70.63261	0.9
71.01270	52.6
72.01614	0.7
72.99206	6.2
73.02838	9.0
75.00769	1.5
76.76268	0.4
81.03333	0.6
83.01272	3.1
83.04935	0.8
85.02840	16.8
85.99979	0.9
86.03179	0.6
87.00774	8.9
87.04435	2.2
89.02338	60.0
90.02673	1.0
95.01300	3.5
96.95909	0.4
97.02862	0.6
99.00788	1.2
99.04385	0.5
101.02345	34.5
101.06023	0.4
102.02674	0.8
103.03920	6.8
109.02820	0.6
113.02357	21.6
114.02694	0.8
115.03912	4.6
119.03416	29.5
120.03738	0.5
124.01566	0.4
125.02366	1.3
127.03920	0.5
130.59013	0.4
131.03426	7.7
134.03676	0.6
137.02347	0.9
143.03438	13.5
145.04974	2.8
147.04436	0.4
149.04488	1.5
153.01839	0.5
161.04500	6.3
163.03946	0.8
163.06064	16.8
179.05574	12.8
180.05899	0.5
205.07161	18.0
227.12997	0.8
229.05058	0.8
243.12395	0.9
244.07553	0.5
244.12776	0.6
245.13141	1.7
247.08253	4.7
261.11115	0.4
261.13483	2.5
266.41943	0.4
298.97592	0.4
347.17218	0.8
357.09869	0.6
362.04544	0.4
385.93454	0.4
397.90756	0.4
407.19272	31.5
407.25806	1.1
408.19452	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	407.2213
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01256	1.4
62.96285	0.4
71.32525	0.6
71.32864	0.4
78.95792	100.0
96.95916	0.4
96.96859	9.5
107.55511	0.3
150.97949	1.7
152.99519	90.2
153.99908	1.7
161.04485	0.4
171.00589	74.9
172.00957	1.1
173.11742	0.3
192.16397	0.3
230.15346	0.3
266.00815	0.3
306.05057	0.3
325.18484	0.8
341.98984	0.3
407.22107	3.6
408.22644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89381	1.0
55.97933	0.9
57.03332	1.8
59.01265	55.3
64.88431	0.9
65.99731	1.7
71.01273	11.0
71.09345	2.1
72.99199	2.1
73.02839	3.4
75.00799	1.4
80.42155	0.9
82.02879	10.1
83.01303	2.7
83.04930	1.3
85.02844	4.8
87.00780	1.3
89.02342	5.1
96.95927	1.2
99.00723	1.3
101.02349	8.7
101.05949	1.2
104.99332	0.9
113.02370	6.1
113.39210	0.9
115.03931	1.8
119.03417	2.4
121.02789	1.1
136.03970	1.3
137.02313	1.4
146.06003	1.1
151.03961	1.2
152.01071	1.2
157.08664	1.1
160.03984	1.3
160.07635	2.2
161.04523	2.6
162.04320	1.6
162.05534	1.5
164.01234	1.0
164.03477	6.6
164.04697	1.3
165.01877	3.0
166.02689	4.3
167.03450	3.1
174.05560	2.4
179.03447	9.0
179.07066	1.8
180.04132	2.2
181.05051	2.9
186.05641	2.0
188.07144	3.0
189.06735	1.3
191.04582	1.5
202.08664	3.1
204.05280	1.8
215.04578	1.6
215.08180	1.4
216.05080	2.2
216.06696	4.3
216.10303	3.7
217.02556	5.3
217.06058	7.1
217.09889	1.1
218.06931	1.7
227.12886	1.7
228.06633	3.4
229.06087	8.8
230.06912	3.4
231.07800	13.2
232.08562	3.8
241.06244	3.9
242.03375	3.5
243.04135	23.7
243.07790	3.1
244.04781	9.0
244.09839	13.5
245.09383	6.3
245.13863	1.5
248.09273	4.0
249.05518	1.3
254.07175	1.2
256.04904	5.0
257.05707	18.1
257.08578	1.7
257.09424	1.6
258.06403	7.5
259.07288	40.8
259.10873	5.7
260.07318	1.8
269.09344	1.9
270.07593	1.9
271.07294	22.4
272.07806	2.7
276.12549	1.4
285.05710	1.3
285.08740	5.4
287.10431	71.4
288.08255	6.5
291.09955	11.9
302.05310	1.4
303.06500	1.3
313.08365	100.0
314.08652	6.9
316.57562	1.0
317.07782	2.4
319.12836	2.1
331.09427	60.3
332.09750	4.9
335.08936	2.3
336.40829	0.9
345.11090	7.1
347.17017	5.2
357.07327	3.3
359.11435	1.8
365.18246	1.6
375.03580	1.2
375.08389	23.8
376.08594	2.7
385.18634	1.0
389.10211	6.0
407.11029	82.9
407.19128	22.8
407.26825	7.1
408.11441	7.4
408.19574	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31554	1.1
55.01768	1.7
57.03322	2.2
58.24775	1.2
59.01265	83.5
60.01595	1.2
65.99738	1.9
71.01272	19.7
72.99189	2.6
73.02850	3.8
74.97395	1.1
75.00758	4.3
82.02876	11.1
83.01265	3.4
83.04934	2.2
85.02836	9.4
87.00768	3.7
89.02333	15.4
95.01311	1.8
98.19862	3.0
99.00792	2.2
101.02330	14.8
105.01843	1.8
105.68840	1.1
111.04451	1.4
113.02363	9.3
119.03391	6.9
120.02715	1.2
122.06038	1.4
125.02399	2.6
132.04402	1.4
141.09128	1.4
141.51999	1.3
143.03401	1.8
157.08702	1.5
160.07603	2.6
161.04532	4.1
162.04300	1.9
164.03526	5.5
166.02713	1.6
167.03500	1.6
174.05618	1.9
179.03505	2.5
179.05518	3.2
185.08185	1.7
186.05612	2.9
188.07176	4.9
189.03038	1.4
191.04643	2.0
194.04593	1.7
199.05093	1.4
200.07224	2.5
202.05013	1.8
202.08717	3.9
213.26901	1.1
215.04576	1.6
215.08226	1.1
216.05371	5.2
216.06946	2.1
216.10274	3.2
217.02591	5.6
217.06184	7.0
218.06943	2.1
226.08775	1.2
227.12926	2.8
228.06760	2.3
229.06030	7.8
230.03380	2.8
230.06931	2.6
231.07780	13.7
232.08553	4.4
235.03670	1.3
241.06180	3.7
242.03378	3.3
243.04146	24.3
243.06650	1.7
243.07825	2.8
244.04807	12.9
244.09863	16.2
245.04689	3.8
245.09253	6.6
248.09259	3.6
249.05750	1.3
256.04929	6.1
257.05685	19.2
257.08582	1.3
257.09497	1.4
258.06461	7.0
259.07294	47.9
259.10910	9.1
260.07437	2.3
269.09366	3.7
270.07657	1.5
271.07300	26.2
272.07770	2.0
276.12537	1.8
285.05771	1.4
285.08707	6.1
287.10434	79.1
288.08594	4.2
288.11075	3.5
289.08582	1.4
291.09943	11.3
295.07318	1.4
303.10077	1.6
313.08368	100.0
314.08841	9.3
314.12354	1.8
317.07770	2.1
331.09418	51.0
332.09790	6.2
335.08722	2.1
345.10831	8.4
347.17142	7.0
357.07257	1.9
375.08420	22.1
376.08566	2.6
389.09955	7.1
407.11041	73.0
407.19022	18.3
407.27051	2.8
408.11182	7.9
408.19806	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	405.2138
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01778	1.9
56.84391	0.6
57.03334	10.0
58.00491	3.4
59.01263	100.0
60.01591	0.8
61.57760	0.6
71.01267	72.4
71.04911	2.2
71.53640	1.2
72.01613	0.9
72.99204	6.1
73.02833	5.7
75.00777	1.7
77.35020	0.7
81.03366	1.0
83.01279	3.9
83.04904	0.8
84.02071	1.7
85.02840	16.1
87.00782	4.7
89.02334	76.8
90.02686	1.6
95.01292	5.3
96.25432	0.7
97.02857	1.0
99.00800	2.3
99.04446	0.9
101.02343	51.2
101.05999	6.4
107.03440	0.6
109.02878	1.0
109.06566	0.6
111.00791	0.8
113.02354	32.0
114.02698	1.0
119.03413	41.9
120.03799	1.1
122.03657	0.8
123.08068	7.1
125.02392	2.0
125.05981	4.0
131.03429	4.0
137.02356	0.8
138.05638	0.8
138.06795	0.8
139.07594	1.9
141.09146	17.7
142.09503	0.6
143.03438	5.3
149.04521	2.5
151.11281	0.7
153.09119	1.2
159.02989	1.6
161.04504	14.2
167.10707	3.1
179.05563	11.3
181.12325	3.4
183.10313	2.1
195.13924	1.2
225.14932	3.7
225.67970	0.7
225.77560	0.6
242.02168	5.1
243.16031	33.5
244.16441	2.7
304.57974	0.6
345.15588	1.1
363.16766	0.9
405.08722	2.8
405.21509	73.7
406.17313	1.3
406.21854	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	405.214
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01772	0.8
57.03333	1.0
58.00467	1.4
59.01266	47.1
60.01585	0.6
61.98721	0.5
63.71042	0.4
69.02125	0.4
69.56253	1.0
69.56661	3.0
71.01271	46.6
72.01587	0.7
72.99206	2.4
73.02834	1.3
75.00764	0.6
83.01276	2.0
83.04888	0.4
85.02849	6.4
87.00780	1.8
89.02338	23.9
93.03335	0.5
95.01287	2.4
96.38824	0.4
99.00761	0.7
101.02345	15.9
103.88316	0.4
113.02356	10.2
119.03413	10.0
121.02901	0.6
127.11214	1.2
131.03419	0.6
139.11206	0.7
143.03419	1.5
149.02382	5.9
149.04462	0.7
150.03178	5.3
153.12823	3.0
161.04512	2.0
164.04733	1.0
165.05515	6.2
179.05620	2.2
181.12251	0.8
183.13905	0.7
195.06674	2.6
199.13364	5.2
207.13919	1.0
225.14954	1.9
243.16016	1.1
342.11334	0.7
357.13608	3.6
375.14899	0.5
387.20233	1.4
405.21387	100.0
406.21695	10.9
406.27121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2138
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01770	4.2
56.99699	0.9
57.03340	8.3
58.00483	4.4
59.01266	97.6
60.01592	1.0
71.01272	100.0
71.04906	7.3
71.62081	1.0
72.01585	2.0
72.99203	7.8
73.02838	11.3
75.00755	1.9
81.03355	2.6
83.01280	6.4
83.04865	0.8
84.02054	6.0
85.02843	29.3
87.00758	4.6
89.02338	73.8
90.02688	1.3
95.01285	7.6
95.04909	1.5
97.02827	2.8
97.06467	1.2
99.00784	4.8
99.04427	4.1
101.02347	57.8
101.05989	24.1
101.06664	1.1
102.02711	1.0
107.99094	0.8
109.06531	1.8
110.03655	0.9
113.02354	37.1
113.09634	0.9
114.02695	1.4
119.03416	35.1
121.06532	1.3
123.08076	22.6
124.08405	1.0
124.46755	0.9
125.02399	1.3
125.06005	9.4
131.03421	2.7
137.09657	1.4
138.06819	6.9
139.07600	7.6
141.09146	74.1
142.09497	3.5
143.03447	6.3
149.04489	2.4
149.09619	1.4
151.11209	4.2
153.09155	6.6
153.12756	2.2
155.10658	1.1
159.02972	2.6
161.04504	20.8
163.11211	1.6
165.09154	7.8
167.10693	1.9
177.12859	1.0
179.05569	11.6
179.10707	1.1
181.12308	14.3
182.12610	1.0
183.10185	4.1
184.34926	0.8
185.08157	1.7
191.47920	1.0
195.13914	5.4
197.11688	0.9
205.03552	0.8
205.12337	3.3
207.13884	2.7
223.13457	2.5
225.14941	11.4
226.15083	1.2
241.14496	1.8
243.16035	91.9
244.16443	6.1
305.24054	0.8
361.36603	0.9
380.99118	0.9
405.21436	55.4
406.21732	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	405.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03332	0.6
58.00492	0.4
59.01266	10.5
71.01272	7.4
71.61703	0.3
72.01612	0.2
72.99208	0.5
73.02834	1.4
83.01266	1.0
85.02844	2.9
85.06489	0.7
87.00769	0.7
89.02341	4.1
95.01297	0.6
96.00999	0.1
97.02829	0.2
97.06499	0.2
99.00793	1.3
101.02348	4.7
101.03016	0.3
105.24436	0.1
113.02364	2.6
113.09663	0.2
119.03419	1.5
147.04437	0.2
149.05977	0.2
152.33911	0.1
155.14362	2.5
156.14693	0.2
159.04514	0.1
161.04544	0.3
161.05988	0.2
181.12346	0.1
181.15923	1.1
185.06094	0.3
189.05499	0.2
197.05942	0.2
199.07719	0.2
199.13390	6.1
200.13754	0.3
211.50420	0.1
225.05486	0.2
225.14929	1.3
227.07146	0.2
229.08745	0.4
233.06145	0.2
249.05595	0.3
251.07175	0.2
259.07965	0.2
261.05487	0.2
261.09439	0.2
262.06354	0.2
263.07141	0.3
273.05698	0.2
273.09201	0.3
274.10019	0.2
275.07141	0.9
275.09909	0.1
276.07779	0.2
277.05161	0.9
277.08606	0.3
278.05920	0.2
279.06760	0.6
280.07465	0.8
281.08118	0.2
285.05704	0.3
285.09415	0.2
286.06354	0.3
287.07266	0.4
288.04297	0.5
288.07565	0.2
289.05151	1.3
289.08780	1.0
290.05820	0.5
290.09512	0.5
291.06732	0.7
291.10345	0.8
292.07297	0.4
293.08289	2.1
294.08670	0.3
299.07126	0.1
300.04581	0.2
300.07968	0.4
301.05191	1.1
301.08804	0.8
302.05783	0.7
302.09564	0.9
303.03165	0.2
303.06662	1.7
303.10275	0.7
304.04022	0.2
304.07440	1.4
304.11084	0.4
305.04626	0.4
305.08234	0.5
313.08856	0.3
313.12271	0.3
314.05905	0.3
314.13284	0.2
315.03131	0.1
315.06665	0.5
315.10333	0.4
316.03873	2.9
316.07352	0.3
316.10983	0.3
317.04550	2.9
317.08292	2.2
317.11713	0.2
318.05148	0.4
318.08926	2.3
319.06149	0.7
319.09735	5.7
320.10574	9.1
321.11301	5.1
322.11859	0.4
326.09491	0.2
327.06680	0.3
327.10376	0.4
328.07474	0.3
328.11142	0.2
329.08243	1.0
329.11667	0.2
330.05353	0.6
330.08893	0.3
331.06201	2.4
331.09796	0.3
331.13507	0.3
332.06717	0.4
333.07745	0.5
336.10132	0.3
337.10883	6.7
338.11234	0.8
339.06772	0.3
339.10272	0.2
341.08212	0.2
341.11926	1.1
342.12479	0.2
343.06332	0.2
343.09747	0.5
343.13467	1.6
344.06900	0.2
344.10519	0.5
344.14139	0.3
345.07706	2.0
345.11420	0.6
346.08444	3.5
347.09167	0.9
348.10028	0.4
353.08475	0.2
354.08978	0.2
355.09769	0.2
357.07748	0.5
357.11710	0.2
358.12265	0.2
359.13013	1.7
360.13397	0.2
369.11414	0.9
370.12231	0.4
371.09305	0.6
372.09927	0.7
377.13922	0.2
386.11459	0.2
387.12534	1.4
387.20316	0.4
388.12900	0.2
405.13522	100.0
405.21396	36.2
406.13861	14.5
406.21753	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03320	0.8
58.00485	0.9
59.01265	34.0
60.01603	0.4
65.59627	0.4
69.47852	3.5
71.01270	16.1
72.99200	2.0
73.02840	4.0
75.00760	0.8
83.01286	1.0
83.04906	0.5
85.02842	3.9
87.00780	1.4
89.02336	17.6
95.01304	0.9
95.04908	1.0
99.04420	1.6
101.02348	8.4
113.02363	6.2
119.03429	5.6
131.03456	0.8
143.03439	0.6
149.04495	0.4
158.19180	0.3
161.04512	1.1
163.11243	4.7
179.05551	1.0
180.16786	0.4
181.12308	24.8
182.12598	2.0
187.09641	2.3
207.10271	0.7
223.09734	0.4
225.11324	100.0
226.11687	6.8
227.12830	0.5
243.12396	2.5
287.15033	0.9
405.17691	37.8
405.25296	1.9
406.18051	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.4
58.00471	0.9
59.01263	63.1
59.49125	0.4
60.01598	0.8
61.01661	0.5
65.54902	0.4
69.03338	0.4
71.01273	11.4
71.04911	2.2
71.59373	0.7
72.99199	1.7
73.02832	5.2
75.00766	0.5
83.01286	1.4
83.04929	1.1
85.02843	3.5
87.00756	1.3
87.04405	3.7
88.45373	0.4
89.02339	11.1
90.02692	0.4
95.01283	0.9
95.04958	0.6
97.06511	1.1
99.00772	0.6
99.04419	1.7
99.08016	0.5
101.02338	8.2
109.06493	1.2
113.02363	4.6
119.03405	4.9
120.71707	0.4
123.08091	0.6
127.11218	1.1
131.03426	0.9
134.03651	7.2
135.04420	0.6
136.01581	0.5
137.09712	0.7
138.06808	1.4
139.07600	1.4
139.11221	16.7
140.11551	0.5
141.10327	0.4
143.03435	1.2
149.04779	0.7
149.06012	3.8
149.09674	0.7
150.03094	0.5
151.03918	1.0
151.11240	1.7
155.10770	0.6
157.08662	0.5
157.12273	1.1
161.04543	2.5
161.07123	0.8
163.11240	0.9
165.09178	0.5
165.12785	0.5
167.10724	4.8
169.12276	0.9
175.08760	0.5
179.05550	3.0
179.10794	0.8
181.12302	11.5
182.12712	0.7
183.10226	26.5
184.10551	0.9
187.09729	25.7
187.13353	10.8
188.10036	0.7
188.13663	0.5
189.06590	0.6
193.05022	2.4
199.13374	10.6
200.13792	0.5
207.10263	0.8
211.06116	0.5
217.14455	3.7
223.09775	0.6
224.10104	0.9
225.11362	8.3
229.09753	0.8
243.12399	100.0
244.12717	6.0
253.50218	0.4
273.13406	0.6
273.17130	0.6
283.00375	0.6
285.13498	2.8
305.11539	1.7
329.11606	1.2
361.18704	0.7
387.24121	1.0
405.12418	0.6
405.16940	6.6
405.25275	26.2
406.25696	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.9
58.00500	0.4
59.01266	100.0
60.01595	1.0
69.03345	3.6
69.36991	4.5
71.01276	4.4
71.04917	1.3
72.99191	0.7
73.02857	1.9
75.62780	0.4
79.86900	0.4
85.02851	2.0
87.00789	0.9
87.04401	0.6
89.02338	3.5
95.01262	0.5
99.00755	0.6
101.02330	3.4
109.02876	0.5
111.08090	1.0
113.02371	3.2
113.06010	0.6
119.03435	1.8
123.08154	0.7
126.67123	0.4
127.07619	0.5
134.03688	1.8
137.02565	0.4
139.11206	5.0
149.06061	1.1
151.03952	0.6
161.04538	1.3
171.14333	0.5
172.87668	0.5
178.02722	0.4
179.05525	0.5
181.12213	0.5
183.10234	50.0
184.10614	3.0
187.09814	0.6
193.05080	1.2
197.11855	0.9
211.06126	0.5
225.11273	2.0
243.12488	1.0
275.18845	0.5
311.10507	0.7
329.11523	0.8
345.15735	1.3
405.12131	1.9
405.17273	1.0
405.20572	0.5
405.25162	6.4
406.25708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1692
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
57.03345	4.4
59.01265	100.0
61.98702	3.8
70.76479	11.1
71.01262	24.3
72.99181	3.3
73.02837	9.0
75.00775	9.9
83.01268	3.9
85.02874	10.1
87.00791	11.9
89.02344	18.0
89.60498	3.2
101.02352	12.6
113.02365	6.1
119.03410	6.6
121.78320	3.7
134.03687	6.9
161.04465	5.6
165.05531	3.3
180.45062	3.5
208.77792	3.2
225.11128	3.7
257.82779	3.5
369.88718	3.5
375.24142	4.8
378.01614	3.6
389.47928	3.9
405.16733	46.9
405.25226	33.9
406.17429	5.3
406.25223	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.4
59.01262	29.3
71.01268	7.0
71.54498	0.7
72.99195	1.5
73.02831	3.9
75.00760	1.0
83.04907	0.9
85.02846	2.1
87.00768	2.0
87.04411	2.9
89.02341	4.3
91.68771	0.4
93.10683	0.5
95.01288	0.7
99.00785	0.7
99.04437	1.0
101.02335	2.8
105.01814	0.5
108.02094	0.9
111.08039	0.5
113.02324	2.2
114.01882	0.7
115.07505	0.5
119.03410	1.2
121.02855	0.6
123.04453	0.5
123.08052	1.0
134.03659	100.0
135.04382	4.5
136.01591	9.0
137.02362	0.9
137.09633	1.2
139.07509	0.7
139.11247	0.6
143.10719	0.6
147.04424	0.6
149.06013	73.2
150.06361	3.6
151.03947	19.1
153.09160	0.8
157.08640	0.6
161.04514	1.0
167.10847	0.5
173.11781	0.7
178.02690	2.4
179.03447	3.0
179.05589	0.7
181.12387	1.1
183.10297	0.5
187.09715	10.5
187.13358	1.0
193.05026	42.4
194.05424	2.3
211.06110	6.3
214.96278	0.5
217.14418	4.9
225.11424	0.5
232.06122	0.7
243.06621	2.8
243.12437	2.2
259.15573	0.6
279.15970	0.5
279.19565	0.7
283.09769	0.5
315.21634	0.7
327.21967	1.0
329.11462	1.0
339.12103	0.5
343.12015	0.7
343.25140	0.9
345.09824	4.2
345.22876	8.7
346.23056	0.7
361.13065	1.1
387.10721	0.9
405.12100	13.1
405.25070	39.4
406.12173	1.3
406.25409	2.1
420.86075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.12
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.01773	1.3
57.03339	1.1
59.01264	22.9
61.07761	0.7
61.08570	0.6
61.98714	1.0
66.13657	0.6
66.94905	0.5
68.12906	0.5
69.03342	65.4
70.03685	1.3
71.01271	8.5
71.61017	0.9
72.99207	0.8
73.02843	2.8
75.00750	1.4
79.01768	9.4
81.03346	4.3
83.01318	0.8
85.02844	5.0
87.00758	1.3
89.02340	3.8
93.03345	1.0
95.01283	6.4
96.95886	0.9
97.02856	38.5
99.00797	1.0
101.02338	4.5
107.01295	38.1
107.04936	1.5
108.02104	11.4
109.01083	1.6
109.02882	6.5
113.02367	4.5
113.05991	2.7
119.03442	1.4
119.04984	0.6
121.02860	6.8
123.00794	13.9
123.04435	1.6
125.02367	93.7
126.02700	2.4
133.02892	2.5
134.03664	1.7
135.00822	2.5
135.04446	7.5
136.01575	6.3
137.02396	5.4
145.02882	1.0
149.02382	4.2
149.06023	5.0
150.03186	1.1
151.00308	88.6
152.00902	4.3
153.00053	2.4
153.01875	17.2
154.02109	0.8
161.02423	1.2
161.04494	1.8
163.03944	7.2
165.05521	1.4
165.09203	0.8
167.10747	0.9
167.61044	0.7
175.03937	0.8
177.01897	10.9
178.02142	1.3
179.03424	1.1
189.01927	0.9
191.03406	1.3
197.06073	6.0
198.06783	0.9
207.02998	1.3
213.05698	1.3
215.05342	2.1
219.03113	0.9
225.07553	1.0
242.05873	100.0
243.06610	55.8
244.07115	3.5
245.13124	0.8
255.06654	1.2
259.04349	1.8
285.07767	5.3
286.07941	0.7
297.06177	21.6
298.06625	0.9
343.24664	0.8
345.22519	0.8
404.23871	0.8
405.12003	18.8
405.21335	3.7
405.25653	1.5
406.11984	1.1
427.76233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.5
59.01264	100.0
59.47253	0.4
60.01594	1.0
61.98706	3.1
70.76886	1.5
71.01261	0.9
71.39429	0.4
74.47495	0.4
85.02882	0.4
88.70922	0.4
116.53259	0.4
128.78975	0.4
132.38457	0.4
132.64265	0.4
139.03938	0.4
142.19325	0.4
157.61311	0.4
157.71471	0.4
166.77008	0.4
225.89503	0.4
245.01378	0.6
257.01447	1.0
271.02747	0.6
277.00470	0.6
303.01917	0.5
343.08655	4.0
343.28540	4.0
346.03900	0.8
386.19070	0.5
403.25146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.0
59.01266	100.0
60.01604	1.3
61.98726	2.1
69.38200	4.8
71.01273	9.1
72.99207	1.6
73.02832	1.4
75.00774	1.8
81.03381	0.5
83.01299	0.9
85.02827	3.0
87.00787	1.5
89.02338	4.3
99.00800	0.6
101.02344	4.3
105.01855	2.8
107.29655	0.5
108.02112	0.7
113.02368	2.9
113.05992	0.7
119.03463	2.3
123.08102	0.6
125.02399	0.5
132.42091	0.5
135.02916	0.8
137.02361	0.7
140.07109	40.5
141.07465	1.5
141.09174	0.5
161.04535	2.5
179.05614	0.9
209.04440	0.5
227.16628	0.5
243.16132	1.8
248.41612	0.5
249.09811	1.2
272.11435	1.0
287.09482	0.7
317.10547	1.3
358.10901	1.0
359.11703	1.0
373.13138	1.4
389.12585	1.0
389.66962	0.5
398.26968	0.6
404.15610	2.1
404.20377	5.8
405.17105	1.1
405.21478	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	403.1985
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01757	1.4
55.69344	0.9
57.03315	2.5
59.01265	41.7
60.01579	1.0
61.98721	3.9
63.00463	0.8
69.03333	1.5
69.79630	3.3
69.80039	1.9
70.33453	0.7
71.01275	24.3
71.04872	0.8
72.99195	0.9
73.02829	5.9
75.00753	1.2
79.06297	0.7
83.01244	3.1
83.04898	1.1
85.02851	6.7
87.00773	4.8
87.04395	0.8
89.02309	3.6
90.58955	0.8
95.01247	1.5
96.95880	0.8
97.02778	1.0
97.06464	1.9
97.12600	0.7
98.19831	1.0
99.00752	1.8
101.02347	9.7
106.65109	0.7
113.02383	5.3
119.03394	1.5
121.02798	1.1
123.04404	1.9
123.08028	1.1
124.01533	1.5
125.02315	2.2
127.11140	1.0
132.40773	0.7
132.93582	0.9
137.09621	1.4
139.11174	1.0
141.08998	0.8
143.03436	1.6
144.85464	0.8
147.04303	0.8
149.02310	2.6
149.05991	6.0
150.03053	1.3
153.12769	1.6
164.04596	1.4
181.12363	0.9
182.02075	1.2
193.04958	2.7
196.03709	1.3
198.06857	0.9
199.13390	20.2
241.14403	1.7
261.18481	0.9
271.09756	1.0
271.19232	0.9
325.20337	0.9
327.09949	1.0
329.10318	4.0
341.23242	1.9
343.17456	16.3
343.21237	5.0
344.17841	2.1
361.18759	43.4
362.19040	4.4
385.13205	1.2
403.10297	3.3
403.19519	100.0
404.19867	11.5
404.24298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2343
Annotation	Celerioside E
Peak:m/z	Relative Intensity
55.01780	0.9
57.03331	1.2
58.00488	2.1
59.01265	37.4
60.01602	0.6
61.98714	2.8
71.01266	20.5
71.55509	0.7
72.99208	2.3
73.02835	1.1
83.01267	1.4
85.02844	5.6
85.10696	0.4
87.00767	6.0
88.98688	0.7
89.02336	18.3
95.01246	2.0
99.00778	0.5
101.02344	13.5
111.08084	1.6
113.02344	7.6
119.03417	6.7
121.02826	0.8
123.04429	1.2
130.99742	2.2
143.03410	0.5
173.08144	0.8
173.27652	0.4
179.14403	4.0
190.59517	0.4
197.15485	3.9
222.73204	0.4
223.13644	3.2
223.17015	17.8
224.17398	1.5
241.14462	20.0
241.18114	1.1
242.14888	1.2
253.40636	0.4
254.04346	1.6
283.15607	0.5
314.12967	0.6
367.13846	0.5
403.23456	100.0
404.23746	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	403.1985
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01773	2.3
57.03339	10.1
58.00488	3.9
59.01267	99.0
60.01586	1.0
65.26882	0.6
69.29365	5.2
69.85825	0.5
70.97960	0.5
71.01273	67.2
71.04900	1.5
72.01591	1.0
72.99203	6.0
73.02841	4.2
75.00772	1.2
81.03343	2.4
83.01281	3.0
83.04913	0.9
85.02843	14.4
87.00769	4.5
89.02339	79.3
90.02684	0.9
95.01292	4.5
95.04923	1.5
97.02853	2.6
97.06522	1.1
99.00787	2.0
99.04408	1.5
99.08084	0.9
101.02352	42.8
102.02720	0.8
107.04939	0.6
108.02061	0.7
109.02868	0.5
109.06509	2.6
111.00786	0.6
111.04430	1.0
113.02361	31.7
114.02636	0.6
119.03419	42.6
120.03774	1.4
121.06526	1.0
123.04454	1.0
123.08080	7.9
124.05226	10.2
125.02376	1.2
125.05992	0.6
129.01886	0.6
131.03430	4.0
135.08032	0.6
136.05226	4.1
137.06030	0.9
137.09647	1.0
139.07579	52.5
140.07921	1.4
141.09148	1.0
143.03432	7.1
143.10649	0.9
149.02522	0.8
149.04501	4.1
149.09666	2.0
151.07593	20.9
151.11224	2.5
152.07971	1.0
153.09154	3.0
161.04514	8.5
161.09706	2.8
163.07637	2.2
163.11229	4.3
164.08368	0.6
165.09122	2.6
169.08650	2.1
174.05617	0.6
175.07607	1.3
175.11218	0.6
177.09172	1.3
179.05577	17.5
179.09126	1.0
179.10736	19.1
180.05940	0.5
180.10992	1.0
181.05008	0.6
190.09962	0.6
193.12314	13.4
193.13954	1.0
194.12616	0.9
203.10735	3.8
205.12305	9.1
206.12575	0.7
211.13385	3.8
221.11871	4.5
223.13391	15.8
224.13766	1.2
233.10237	0.5
241.14479	100.0
242.14816	6.7
315.12454	1.1
403.19833	90.4
404.20187	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	403.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.2
57.03335	8.4
58.00484	2.8
59.01263	57.6
60.01599	0.6
61.98709	0.6
62.84217	0.3
68.99696	0.3
69.03326	0.4
69.79909	0.9
69.80325	0.8
69.82505	0.3
71.01267	41.5
71.04919	1.3
72.01621	0.5
72.58623	0.3
72.99201	3.4
73.02832	2.9
78.64002	0.3
81.03361	1.2
83.01272	2.7
83.04910	0.6
84.01575	0.3
84.02071	0.3
85.02838	10.7
86.03184	0.5
87.00767	2.3
89.02335	48.4
90.02671	0.7
95.01297	2.8
95.04935	1.3
97.02843	2.2
97.06503	1.0
99.00784	1.1
99.04421	1.2
99.08051	0.8
101.02345	25.9
102.02710	0.6
109.02812	0.5
109.06486	1.5
110.93211	0.3
111.04447	0.5
113.02357	17.9
113.06003	0.5
114.02722	0.6
119.03414	22.9
121.06509	0.6
123.04453	0.6
123.08077	6.2
124.05215	9.1
125.02399	0.4
125.06016	1.1
131.03413	1.8
135.04483	0.5
135.08081	0.7
136.05226	3.5
137.05997	0.4
137.09616	0.8
138.06793	0.3
139.07576	46.5
140.07927	1.9
141.09155	1.2
143.03423	3.6
143.10710	1.0
149.04489	1.8
149.09656	1.3
151.07587	18.9
151.11194	2.1
152.07985	1.0
153.09180	2.1
160.05234	0.4
161.04514	5.3
161.09641	3.1
162.04889	0.4
163.07590	1.9
163.11234	3.3
164.08334	0.6
165.09171	1.3
167.03444	0.7
169.08646	2.7
171.17004	0.3
175.07652	1.1
175.11230	0.8
177.09172	0.7
179.03966	0.4
179.04222	0.2
179.05571	9.3
179.10738	17.9
180.06010	0.4
180.11095	0.9
181.08701	0.8
187.11230	0.8
189.09027	0.4
193.12320	11.2
194.12608	0.6
195.13811	0.4
203.10747	3.9
204.11105	0.3
205.12329	8.6
206.12595	0.6
211.13373	5.1
221.11893	4.1
223.13403	14.4
224.13736	1.0
240.04343	0.9
241.14473	100.0
242.14803	6.0
251.38438	0.4
403.19809	46.3
404.20218	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78982	0.1
59.01265	100.0
60.01602	1.1
61.98721	1.5
69.30431	0.9
69.30857	0.4
71.01266	0.6
73.02856	0.2
77.06100	0.1
85.02859	0.4
87.00802	0.2
89.02355	0.3
96.95889	0.2
98.19762	0.2
98.50178	0.1
101.02362	0.3
101.06007	0.4
109.11990	0.1
113.02331	0.2
123.04443	0.2
130.56483	0.1
130.90233	0.1
149.06013	0.7
161.04597	0.2
165.12827	0.3
183.13918	0.5
195.93427	0.1
201.05626	0.1
227.13037	0.2
231.81816	0.1
258.41299	0.1
301.16693	0.2
343.40216	0.1
385.16437	0.1
403.19647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
56.99730	0.3
57.03339	7.5
58.00484	2.7
59.01265	56.1
60.01597	0.7
61.98730	0.4
69.03339	0.5
69.47858	0.4
69.48170	3.3
71.01269	38.5
71.04913	0.9
72.01637	0.5
72.99205	2.1
73.02839	2.7
75.00803	0.4
81.03372	1.1
83.01263	2.3
83.04909	0.7
85.02840	8.2
87.00771	2.2
89.02339	44.4
90.02669	0.6
95.01279	3.0
95.04948	1.0
97.02874	1.9
97.06488	0.7
99.00794	1.4
99.04439	1.0
99.08067	0.6
99.45167	0.4
101.02345	25.3
102.02682	0.4
109.06532	1.4
113.02355	16.6
114.02681	0.4
119.03413	22.8
120.03716	0.5
121.06479	0.8
123.04494	0.6
123.08084	6.0
124.05226	8.0
125.02433	0.5
125.06105	0.5
131.03423	2.2
136.05243	2.7
137.05994	0.5
137.09721	0.6
139.07576	42.4
140.07950	1.9
141.09171	1.3
143.03435	4.0
143.10735	1.0
147.08218	0.4
149.04532	1.8
149.09654	1.2
151.06348	0.8
151.07588	15.8
151.11189	2.4
152.07991	1.1
153.09120	2.6
159.02989	0.4
161.04504	5.5
161.09642	2.4
163.07596	1.8
163.11223	3.4
164.08357	0.5
165.09113	2.0
169.08691	2.1
171.00735	0.4
173.09738	0.4
175.07701	0.8
175.11264	0.6
177.09068	0.6
179.05576	9.0
179.07149	0.6
179.10735	19.0
180.11076	1.1
181.08633	0.7
187.11324	0.7
193.12305	9.8
194.12692	0.7
199.01688	0.4
203.10771	3.2
205.12337	9.0
206.12715	0.8
211.13382	4.1
221.11827	4.9
223.13390	16.6
224.13811	1.1
241.14476	100.0
242.14803	7.8
274.75519	0.4
403.19824	54.1
404.20145	6.2
411.09109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27602	0.9
53.68019	0.8
55.01758	1.1
56.27127	1.0
57.03339	1.0
58.00474	3.1
59.01265	80.8
61.59817	0.8
69.48531	7.1
71.01270	43.5
72.99202	3.7
73.02847	2.4
83.01292	2.0
85.02834	7.6
87.00800	2.1
89.02341	52.1
95.01299	3.0
98.19823	1.4
99.00814	0.9
99.04417	6.3
101.02351	21.7
106.82279	0.8
109.02888	0.8
111.04417	2.0
113.02358	15.9
113.03084	1.4
119.03415	19.4
124.05231	2.3
125.02401	1.4
128.35268	0.8
131.03482	2.5
133.01282	1.0
135.11740	4.7
137.02388	2.7
138.03078	0.7
143.03447	3.3
147.04482	0.9
148.05257	2.1
149.04512	1.4
149.25188	0.8
150.03165	1.3
151.03934	1.4
161.04506	2.6
161.09662	4.5
176.96913	0.9
179.05588	8.8
179.10738	37.3
180.11070	1.1
181.08740	1.7
196.49202	0.8
197.11731	2.0
223.09764	100.0
224.10130	5.7
241.10794	6.0
271.15518	1.2
359.16812	0.9
403.10336	4.6
403.16113	9.4
403.23969	4.5
404.16272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03341	2.0
58.00485	3.4
59.01264	84.3
64.99625	1.0
69.03347	1.3
69.57267	0.8
69.99345	2.8
69.99754	1.3
70.73100	0.8
71.01271	46.8
72.71588	0.8
72.99201	4.5
73.02836	1.9
83.01278	1.4
85.02834	9.7
87.00789	2.5
87.04461	0.8
89.02338	53.1
90.02664	1.0
95.01292	3.0
99.04430	6.6
101.02348	24.4
102.02671	1.0
111.04441	2.3
113.01624	1.6
113.02361	19.2
119.03423	20.7
120.03801	1.0
124.05199	1.3
129.01799	0.9
131.03430	2.8
135.11766	4.2
136.01633	1.3
136.12044	0.8
137.02406	1.3
137.09633	0.9
143.03447	4.4
146.03737	0.9
147.04492	1.0
148.05266	2.9
149.04478	2.6
149.77446	0.9
151.03938	1.3
161.04517	3.8
161.09671	2.9
179.05571	8.0
179.10742	39.1
180.11040	2.6
181.23021	0.8
197.11761	1.6
223.09766	100.0
224.10114	7.8
241.10750	4.3
283.06531	0.9
294.73212	0.8
315.12238	0.9
403.10345	3.4
403.16049	8.3
403.24069	6.3
404.16556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1256
Annotation	Seguinoside B
Peak:m/z	Relative Intensity
56.75369	0.2
57.03341	0.4
58.00463	0.3
59.00997	0.4
59.01268	6.7
59.25512	0.3
59.58021	0.3
61.98722	0.4
68.45761	0.3
69.03363	0.4
69.82072	1.1
69.82479	0.6
71.01272	5.0
72.99198	0.5
73.02838	0.4
75.00755	0.4
81.03353	0.5
85.02836	1.2
87.00777	0.7
89.02333	4.9
91.01750	0.4
95.01260	0.3
97.02877	0.4
99.04412	0.4
101.02348	1.6
108.02099	1.4
109.02863	100.0
110.03201	3.7
113.02356	1.3
119.03433	0.7
123.00793	0.3
123.04437	0.4
125.02406	1.5
131.03424	1.3
139.03929	0.6
143.03365	0.4
149.04509	2.0
153.01869	0.7
157.25642	0.3
167.03438	0.7
181.08646	0.7
191.05606	0.7
233.06850	0.4
241.14430	1.2
267.60184	0.3
293.08841	2.6
331.69315	0.3
389.39868	0.3
393.78647	0.3
403.12415	2.9
403.20480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1407
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03320	0.2
59.01263	20.4
60.01567	0.2
61.98689	0.6
68.99671	0.2
70.89575	0.4
71.01260	1.4
72.99187	0.2
73.02816	0.5
75.00758	0.3
83.01251	0.2
85.02851	1.0
87.00748	0.6
89.02292	0.3
95.01297	0.3
97.02791	0.2
99.00763	0.5
101.02342	0.7
101.06018	0.2
111.08070	0.5
111.42072	0.2
113.02330	0.7
113.09030	0.2
125.02312	0.2
150.03130	0.6
153.09120	0.6
161.04514	0.7
165.05498	0.7
165.11398	0.2
165.12811	5.1
181.06544	1.3
183.04475	0.6
183.13875	8.5
184.14215	0.5
187.09706	1.9
192.04333	0.5
193.07184	0.9
194.99918	0.2
195.06606	0.3
197.06050	1.0
198.06900	1.1
199.07147	0.3
207.06610	0.4
209.06178	0.3
209.11790	0.6
215.12839	1.2
225.05573	36.3
226.06216	7.4
227.06764	0.6
227.12914	4.1
227.15170	0.2
228.13252	0.3
239.07372	0.2
241.08722	100.0
242.09058	7.6
249.06189	0.5
267.07272	0.4
403.15094	0.8
403.19836	3.7
403.23795	0.7
404.15115	0.2
404.20071	0.2
419.08929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	54.3
61.98724	4.8
66.50711	2.1
71.01265	5.0
71.52750	4.4
72.99210	4.7
82.10636	2.5
85.02840	3.9
95.01276	6.5
101.02348	3.8
101.70989	1.8
109.02884	2.6
111.00739	2.7
121.02867	3.7
123.00797	100.0
124.01613	22.7
125.01823	2.1
137.02341	2.8
138.03159	60.5
139.00345	3.3
139.03947	90.1
140.04236	2.9
149.02376	3.7
161.04533	3.3
172.02452	2.2
181.04997	7.1
203.05638	5.0
238.22557	2.2
241.07167	2.5
283.08078	3.3
305.84866	2.1
343.10434	22.4
403.12140	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1041
Annotation	Conyzatin
Peak:m/z	Relative Intensity
57.03310	1.2
59.00991	2.2
59.01268	25.5
68.87851	1.0
69.44791	8.9
71.01276	11.7
72.99202	1.3
73.02832	1.5
83.01272	1.8
85.02829	2.7
87.00779	2.6
88.60016	1.4
89.02346	3.1
93.03333	1.6
95.01304	1.3
98.20547	2.4
99.00791	1.6
101.02332	2.3
105.03395	1.7
108.02078	7.4
109.02880	19.1
111.00791	2.8
111.08039	1.9
115.00291	10.3
118.94888	1.2
119.04934	1.3
121.02858	3.3
123.00780	4.1
123.04414	3.2
124.01588	11.9
125.02367	2.3
133.02876	11.2
134.03699	7.6
135.04446	2.5
136.01596	10.3
137.02380	78.5
137.78192	1.1
138.03180	28.9
139.03838	1.9
140.01137	1.6
145.02898	7.8
146.03670	12.7
147.04465	37.1
148.05270	12.8
149.02371	4.2
149.05951	3.5
150.03165	17.0
151.03947	13.7
152.04730	3.0
158.03683	1.6
159.04445	11.6
160.05234	3.4
161.02399	3.3
161.04550	1.5
161.05991	2.2
162.03160	1.8
162.06819	14.0
163.03954	11.8
164.04724	7.1
170.02126	6.4
173.02383	2.4
173.06055	2.1
175.03983	1.5
175.07587	3.9
177.05527	2.1
179.03423	1.4
183.04463	1.6
185.06058	2.1
185.26897	1.2
187.09685	2.6
189.01828	2.1
190.02652	7.0
191.03508	6.4
193.05011	3.5
194.02211	4.4
197.06055	1.4
198.06906	1.7
209.04491	1.4
211.03975	4.9
211.07564	2.6
212.08424	1.6
213.05542	2.3
219.06627	5.5
221.06131	1.3
223.07739	2.3
225.05534	4.4
226.06181	1.8
227.12907	1.8
229.05127	2.1
233.04465	1.4
238.06462	2.7
239.03497	4.7
239.07144	12.2
240.04184	1.8
240.07880	4.3
241.05107	2.1
241.08717	1.5
241.10910	2.2
242.05743	1.6
249.05568	1.4
250.06364	3.9
251.07141	4.8
252.04100	1.7
252.07988	4.0
253.05153	5.3
255.10464	1.6
256.03940	2.9
257.04602	16.3
266.05853	6.2
267.06662	22.6
268.07388	18.1
270.05164	1.5
271.06259	2.9
271.15494	8.7
272.06952	21.3
281.08206	7.7
282.08990	2.1
283.09787	39.0
284.10254	4.3
285.07602	3.7
285.11176	2.7
287.09341	10.2
287.15002	7.3
288.09738	1.6
297.11407	4.5
299.09351	2.6
300.10101	40.8
300.13562	2.3
301.10400	3.5
309.08685	1.7
315.12439	34.9
316.12845	4.3
327.08847	9.1
359.11569	9.0
359.15506	1.4
371.08163	2.2
385.22266	1.5
388.08035	4.0
403.10507	100.0
403.23804	9.8
404.10864	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1826
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01766	1.5
57.03339	3.7
58.00485	1.1
59.01265	28.0
61.38377	0.7
62.81823	0.7
69.67278	5.6
71.01270	26.3
72.99200	4.6
73.02827	4.4
75.00767	11.5
75.36294	0.7
82.31734	0.7
83.01276	3.2
83.04887	1.1
85.02341	1.6
85.02836	14.1
87.00769	7.6
89.02335	10.1
95.01279	0.9
95.04926	1.1
97.02856	1.1
97.17577	0.7
99.00786	2.3
99.04378	0.9
101.02348	11.7
103.00300	1.2
105.01837	11.3
110.24195	0.9
113.02368	9.0
113.05996	4.5
115.00266	0.9
119.03397	3.9
121.02872	20.4
123.04427	1.3
123.08111	1.4
125.05997	1.3
129.01860	1.1
135.02933	2.3
136.20190	0.7
137.09641	2.3
138.06758	1.4
151.07634	0.9
153.09119	4.0
159.02908	1.1
161.04497	2.6
165.09203	0.9
175.02464	1.7
177.12787	5.5
179.05602	1.0
179.10732	5.3
181.08664	2.8
195.13814	1.4
197.04501	1.8
220.11005	0.8
221.11830	10.1
225.14909	1.7
231.86121	0.9
283.06262	0.9
283.15582	1.6
298.08438	1.9
313.10910	1.7
341.10977	1.8
383.17148	2.5
386.20789	0.8
401.18253	100.0
402.18646	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	401.1828
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.90822	0.3
57.03339	1.1
58.00465	0.3
59.01263	24.4
60.01600	1.0
61.01670	0.4
62.49873	0.3
62.99780	0.4
71.01270	6.1
72.99212	0.8
73.02834	1.9
75.00774	0.5
79.62963	0.4
83.04922	0.8
85.02840	3.2
85.80848	0.3
87.00787	0.7
88.98711	0.5
89.02348	4.2
95.01305	1.0
96.95928	0.4
97.02897	0.4
97.06499	0.8
101.02357	2.6
104.80999	0.3
106.04174	0.6
107.04945	0.6
110.56035	0.3
113.02346	5.1
113.09223	0.4
119.03410	1.3
139.07658	0.3
159.11772	0.7
161.04485	1.2
164.51357	0.3
175.11195	0.5
175.14882	0.5
177.12819	6.7
179.05612	0.4
187.23659	0.3
195.13885	81.3
196.14224	5.6
203.10699	1.1
207.13908	0.5
219.13835	1.9
221.11896	2.5
239.12907	100.0
240.13239	8.1
253.14546	0.4
263.12961	4.9
264.13385	0.6
269.14047	0.8
281.13983	2.6
283.01187	0.3
294.58694	0.4
311.15051	0.4
341.10947	2.5
341.15051	0.5
342.11029	0.4
359.20770	0.8
401.12827	0.7
401.17630	5.0
401.21994	1.2
402.18405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90822	0.3
57.03339	1.1
58.00465	0.3
59.01263	24.4
60.01600	1.0
61.01670	0.4
62.49873	0.3
62.99780	0.4
71.01270	6.1
72.99212	0.8
73.02834	1.9
75.00774	0.5
79.62963	0.4
83.04922	0.8
85.02840	3.2
85.80848	0.3
87.00787	0.7
88.98711	0.5
89.02348	4.2
95.01305	1.0
96.95928	0.4
97.02897	0.4
97.06499	0.8
101.02357	2.6
104.80999	0.3
106.04174	0.6
107.04945	0.6
110.56035	0.3
113.02346	5.1
113.09223	0.4
119.03410	1.3
139.07658	0.3
159.11772	0.7
161.04485	1.2
164.51357	0.3
175.11195	0.5
175.14882	0.5
177.12819	6.7
179.05612	0.4
187.23659	0.3
195.13885	81.3
196.14224	5.6
203.10699	1.1
207.13908	0.5
219.13835	1.9
221.11896	2.5
239.12907	100.0
240.13239	8.1
253.14546	0.4
263.12961	4.9
264.13385	0.6
269.14047	0.8
281.13983	2.6
283.01187	0.3
294.58694	0.4
311.15051	0.4
341.10947	2.5
341.15051	0.5
342.11029	0.4
359.20770	0.8
401.12827	0.7
401.17630	5.0
401.21994	1.2
402.18405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.1
57.03344	10.5
58.25310	1.9
59.01262	12.6
69.90557	9.4
69.90967	3.9
71.01268	3.1
72.99182	4.0
75.00780	2.0
84.02084	2.3
84.91415	2.0
85.02840	100.0
87.00765	2.5
89.02332	2.5
123.00795	4.6
129.01866	9.1
136.01511	2.2
138.03206	2.7
139.03998	3.6
147.02911	17.4
151.03932	5.5
191.01955	35.5
209.03008	9.8
211.87044	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	401.1825
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.04906	0.2
55.01743	0.2
57.03329	0.4
58.00483	0.2
59.01267	8.7
61.25122	0.2
61.98716	0.4
62.31027	0.2
65.87405	0.2
69.03355	0.3
71.01274	4.9
71.04916	0.2
71.60859	0.3
72.99202	0.3
73.02837	1.0
73.22721	0.2
83.01299	0.4
83.04923	0.6
85.02847	2.4
87.00776	0.3
89.02343	3.2
90.31767	0.2
91.03908	0.3
95.01300	0.6
95.04929	0.2
97.02882	0.2
97.06500	0.6
99.00800	0.2
101.02357	2.0
106.04151	0.7
107.04935	0.6
113.02366	3.9
118.06274	0.2
119.03417	0.8
121.02913	0.2
129.01834	0.4
137.02480	0.2
159.11725	0.3
161.04485	0.6
177.12813	6.2
178.13220	0.3
179.05521	0.5
185.09683	0.2
191.01968	0.3
191.14526	0.3
195.13887	100.0
196.05293	2.5
196.14232	6.9
203.10745	1.6
219.13922	1.7
221.11890	2.0
224.04796	3.7
225.05223	0.3
237.14972	0.4
239.07298	12.2
239.12912	88.3
240.07594	1.2
240.13271	6.7
248.98627	0.2
253.14465	0.3
263.12924	3.0
264.13126	0.4
281.14035	2.6
282.14474	0.3
327.21832	0.5
336.43652	0.2
341.10913	0.7
341.16162	0.3
401.18243	1.8
402.18811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.0
57.03342	3.5
58.00476	1.0
59.01267	28.6
59.40265	0.2
64.71676	0.3
69.03369	0.4
71.01270	19.8
71.08757	0.7
72.25478	0.2
72.99193	1.8
73.02834	5.1
75.00753	0.5
83.01272	4.1
85.02843	9.6
85.98840	0.2
86.00028	0.3
87.00770	1.5
89.02336	8.4
95.01282	1.5
97.02838	0.6
99.00769	1.9
101.02347	14.5
102.02698	0.3
107.04893	0.3
109.06534	0.5
111.00773	0.4
113.02355	7.7
119.03419	2.8
123.08074	2.2
125.02416	0.3
129.01848	0.4
131.03409	0.5
135.08113	0.3
137.09656	1.4
138.05576	1.3
139.03920	0.3
159.02942	0.4
161.04477	1.4
161.09712	0.5
161.50061	0.3
165.11668	0.3
177.12807	5.1
179.05588	0.3
179.10834	0.5
195.13881	2.3
209.11650	0.4
221.11855	3.8
223.85486	0.3
239.12920	2.8
245.13512	0.3
248.62517	0.3
269.13940	0.4
341.11130	0.8
342.12064	0.9
401.18250	100.0
402.18561	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	401.1462
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.22874	0.4
55.01769	3.4
55.50645	0.4
56.28426	0.4
57.03337	3.4
58.00475	0.9
59.01264	25.3
65.97958	0.5
68.99705	0.4
69.03337	0.9
69.35002	0.4
71.01270	50.1
71.49554	0.9
72.01604	1.2
72.99178	1.4
73.02835	17.1
75.00758	1.4
80.83209	0.5
81.03345	0.8
83.01278	8.1
85.02843	23.5
85.99996	0.8
86.03133	0.6
87.00777	2.3
89.02330	8.1
89.02834	0.6
95.01288	3.2
97.02850	2.0
99.00776	7.7
101.02345	38.8
102.02660	0.9
103.75552	0.4
111.00787	0.8
113.02357	21.8
115.85535	0.4
125.02387	2.6
129.01871	1.2
131.03424	1.5
140.72653	0.5
143.03416	3.2
149.04466	1.0
151.03978	0.8
159.02931	5.8
161.04504	42.1
162.04863	1.0
166.26236	0.4
179.10822	0.6
191.05580	0.6
205.03532	1.0
211.40372	0.6
233.06752	0.6
239.57698	0.5
249.06262	2.4
269.10361	100.0
270.10742	8.3
313.09488	0.5
352.55368	0.4
377.50140	0.5
401.14728	12.4
401.19385	0.8
402.14902	1.5
417.95630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86565	0.3
55.94518	0.2
56.01178	0.2
57.03342	0.4
58.00483	0.3
59.01263	7.7
69.00840	0.3
71.01269	3.5
71.10233	0.5
72.99233	0.3
73.02844	0.9
74.94385	0.2
79.28425	0.3
81.56967	0.3
83.01295	0.3
83.04900	0.5
85.02847	1.7
89.02344	2.3
95.01318	0.8
95.04942	0.3
97.06490	0.4
101.02349	2.0
105.36660	0.3
106.04149	0.5
107.04936	0.4
107.71193	0.3
113.02355	4.2
119.03451	0.5
119.04941	0.3
121.02865	1.1
121.10188	0.3
143.03416	0.4
159.11716	0.5
161.04527	0.8
177.12823	6.6
178.13123	0.4
179.05542	0.4
195.13887	90.0
196.14235	6.1
203.10753	1.5
219.13884	1.4
221.11832	2.3
239.12915	100.0
240.13264	7.3
253.14452	0.6
263.12918	5.3
264.13278	0.4
281.14038	3.2
282.14301	0.3
283.19312	0.4
325.89963	0.3
327.21890	0.4
341.11383	0.6
357.06271	0.3
359.20538	0.3
401.09070	0.6
401.18204	4.0
402.18393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.8
58.00464	2.3
59.01262	70.5
71.01268	52.2
71.22927	1.8
71.23254	2.6
72.99188	3.3
73.02838	5.6
75.00755	1.9
85.02840	17.5
87.00766	27.9
88.98700	1.6
89.02338	73.7
95.01308	2.1
101.02337	24.9
113.02348	18.4
119.03409	21.7
131.03415	3.5
143.03410	3.7
149.04501	3.4
161.04477	5.3
163.03926	3.2
164.04686	3.4
166.02631	4.0
176.04739	3.2
177.01802	1.8
178.06325	3.4
179.03412	3.4
179.05556	22.0
179.07129	11.2
181.04979	1.8
191.01868	2.8
191.03450	4.1
192.04213	2.1
194.05879	2.7
203.03566	2.5
209.02971	8.3
209.06464	1.8
209.08266	4.1
221.08220	2.0
222.05304	2.7
240.94168	1.7
265.07190	17.8
277.07318	6.2
295.08307	7.8
325.09464	2.8
341.10934	100.0
342.11282	7.4
366.69016	1.8
371.86066	2.0
401.10953	33.5
402.11026	4.9
403.03076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01003	1.5
59.01268	19.3
61.98704	1.7
65.00198	6.0
68.99696	1.3
69.03319	1.1
70.65269	1.1
71.01268	6.1
71.62344	1.5
72.99202	1.2
73.02833	1.7
77.03829	3.2
79.01775	2.3
83.01270	1.6
85.02856	3.0
87.00732	1.3
87.47205	1.0
88.98714	1.6
89.02301	4.0
91.01793	21.1
93.03330	4.4
95.01276	1.9
95.23978	1.3
96.99218	21.8
99.00733	1.3
99.04438	1.1
101.02319	3.6
102.93360	1.2
105.03338	2.0
107.01277	1.6
108.02081	6.3
109.02863	14.3
111.00759	3.1
113.02364	3.0
117.03376	20.9
118.03667	1.5
119.03455	1.3
119.04926	2.2
121.02873	7.1
123.00741	3.1
123.03567	2.1
123.04437	39.0
124.01563	2.1
124.04670	1.9
125.02320	1.4
129.01804	1.6
132.02029	2.2
133.02823	3.9
134.03603	3.5
135.04419	4.7
137.02342	1.6
145.02887	26.1
146.03683	51.9
147.04259	1.9
148.01584	10.1
149.02368	6.3
151.03978	1.5
153.05475	2.8
158.03683	45.4
159.04462	82.2
160.01520	4.8
160.04773	4.7
161.02385	11.4
161.04652	1.5
161.06039	13.3
162.02948	1.3
163.00311	1.3
163.03947	15.6
165.01909	2.1
167.68365	1.2
173.02362	3.3
173.06035	38.4
174.03059	4.1
174.06340	3.1
175.03955	6.7
177.01830	2.8
178.99847	1.6
179.03375	2.2
179.31813	1.2
186.03116	1.7
187.03955	6.8
189.05527	2.5
191.03482	3.8
197.06026	2.6
203.03500	2.4
209.05873	1.3
211.07574	2.9
213.05443	2.8
215.07120	1.5
221.06055	1.7
222.06863	1.5
224.04822	2.6
225.05489	1.9
233.04301	1.8
238.06207	3.3
239.07143	11.4
241.05110	8.8
249.05606	7.1
250.06374	7.5
251.06984	2.1
253.04961	3.4
256.07394	7.9
265.05066	3.5
265.08664	3.5
266.05881	38.7
267.06647	32.0
268.03680	4.5
268.07056	4.0
269.04636	7.9
269.13846	3.1
271.09833	10.0
277.05069	9.3
278.05609	4.7
279.06387	2.3
280.04160	2.2
280.07410	12.3
281.04562	8.3
281.08203	57.2
282.05344	5.9
282.08829	23.2
283.06198	66.8
283.09222	3.0
284.06558	7.1
293.04477	6.4
293.08124	3.5
294.05450	6.3
295.06186	69.1
296.06561	7.4
297.11261	4.1
308.07001	1.4
309.07733	12.0
310.08521	54.8
311.05682	100.0
311.08936	5.9
312.06055	11.2
323.05704	10.8
324.06253	2.9
325.10861	89.2
326.11255	9.4
337.07181	4.5
339.04950	3.7
341.06573	19.1
341.10715	8.0
342.07083	1.4
347.05557	1.6
353.06830	1.4
354.07492	9.7
369.09845	67.7
370.10156	8.7
387.10965	15.1
388.11115	1.4
401.08624	76.7
402.09000	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	401.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54837	1.6
57.03345	3.1
59.01269	13.2
61.98706	3.7
62.62734	1.7
69.38273	1.7
69.85322	5.6
69.85733	5.9
71.01273	9.9
71.32046	1.8
73.02833	4.3
75.00758	2.9
75.82011	1.6
85.02847	24.1
87.00777	52.2
89.02333	6.5
97.02864	2.6
98.20524	2.3
101.02374	5.2
113.02334	6.0
119.03375	3.2
129.01813	2.4
131.03372	3.4
147.02914	3.8
149.02347	4.0
151.00281	2.2
151.03932	3.7
155.94438	1.7
161.02347	3.7
161.04509	2.2
164.04768	17.4
165.05530	5.2
166.02658	7.0
176.04745	2.4
177.01889	2.9
177.05312	2.0
178.02673	2.4
179.03526	15.6
179.05635	2.3
179.07091	33.3
181.05087	9.0
191.01924	9.4
191.03477	2.3
192.04210	1.9
193.04980	6.1
194.05821	10.8
204.04179	1.9
209.02968	11.4
209.08199	15.4
219.03107	2.5
231.03078	2.4
232.05782	1.9
234.05461	2.1
237.07715	4.6
249.07668	2.1
250.04774	2.5
261.07825	2.9
265.04376	4.1
265.07211	76.2
266.07660	4.3
295.08472	2.1
306.22281	1.8
325.09375	23.7
341.10965	10.7
344.04398	2.0
383.09683	2.5
401.10971	100.0
401.27536	2.4
402.11374	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	401.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59654	0.8
57.03323	0.9
58.28765	1.0
59.01273	3.8
64.66759	0.8
68.99685	1.0
71.01270	4.9
71.58607	1.3
72.99212	1.7
73.02822	2.2
76.46089	0.7
80.97069	0.8
81.18899	0.8
85.02851	10.6
87.00777	32.8
89.02353	1.3
101.02338	2.4
113.02331	3.1
119.03448	1.1
121.02861	1.3
123.00822	3.3
129.01868	1.7
131.03445	1.1
137.02393	1.1
147.02956	1.8
149.02396	2.7
150.82263	0.8
151.00272	2.3
151.03922	0.9
161.02405	3.3
163.03957	9.8
164.04758	9.8
165.05476	2.4
166.02658	5.1
173.02351	1.0
173.33783	0.7
175.03967	2.4
176.01192	0.8
176.04736	7.8
177.01875	1.9
177.05472	1.8
178.06311	9.0
179.03497	5.5
179.05594	0.7
179.07088	17.2
180.07318	0.9
181.05006	7.1
187.03882	1.5
188.04863	2.0
188.39845	0.8
191.01910	3.4
191.03477	11.4
191.07071	4.8
192.04269	2.6
193.05099	5.0
193.08687	1.8
194.05809	4.4
195.06160	0.9
203.03453	3.7
204.04178	1.3
205.05122	4.2
206.05838	5.2
207.03009	0.9
207.06624	2.1
208.07388	1.0
209.03009	4.3
209.08212	6.8
218.05838	2.7
219.02982	3.1
219.06564	1.3
220.03809	0.9
221.04544	2.5
221.08144	4.0
222.05347	1.3
231.03059	1.9
233.08253	1.1
234.05338	1.6
235.02328	0.9
235.06104	1.1
236.06841	1.0
237.07704	2.4
238.04784	1.8
247.02481	3.2
247.06143	2.0
249.07664	3.7
250.04985	1.6
251.09241	2.5
255.64354	0.8
261.07693	2.2
262.04904	6.0
265.07242	42.3
266.07513	3.5
267.08612	0.9
277.07230	17.5
278.07681	1.2
295.08292	60.4
296.08688	5.7
325.09363	3.2
337.09326	1.7
341.11035	3.5
355.10431	22.0
356.10980	1.5
383.09888	6.7
386.97501	1.0
401.10977	100.0
402.11234	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	401.1096
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03347	1.8
58.00467	1.2
59.01266	38.4
67.90718	1.0
68.99690	1.2
69.61207	8.1
71.01271	32.8
72.25879	0.9
72.99196	2.8
73.02857	5.3
75.00744	1.2
81.38472	1.0
83.01277	1.3
84.67211	0.9
85.02847	16.1
87.00774	58.7
89.02338	37.6
95.01287	1.6
98.19840	2.2
99.00782	1.9
99.04329	1.1
101.02338	13.9
109.02873	1.8
113.02361	13.8
119.03416	11.3
123.00771	2.1
129.01872	2.4
131.03444	2.7
135.04407	1.2
135.34976	1.2
137.97510	1.0
138.03171	1.8
143.03493	2.4
147.02972	1.4
149.02396	1.6
149.04527	2.5
151.00327	3.9
151.03934	1.5
153.05554	2.1
161.02385	4.1
161.04538	4.0
163.03940	10.5
164.04764	10.6
165.05489	4.3
166.02664	8.7
173.02373	1.4
175.04031	2.1
176.04736	4.6
177.01869	4.3
177.05547	2.8
178.06314	9.1
179.03470	7.5
179.05551	13.1
179.07104	26.3
181.05035	10.7
187.04004	2.1
188.04807	1.4
189.05492	1.3
191.01930	2.9
191.03471	7.2
191.04913	1.0
191.07089	4.5
192.04199	3.4
192.09067	1.1
193.05023	6.5
193.08691	3.8
194.05827	7.5
197.04590	1.4
202.06358	1.5
203.03474	3.6
204.04312	1.3
205.01314	1.3
205.05037	4.1
206.05815	4.7
207.02945	2.1
207.06618	3.5
208.07382	1.5
209.02988	7.2
209.08209	13.5
218.05846	2.3
219.02879	3.0
219.06485	1.7
220.07367	1.6
221.04590	2.5
221.08191	3.1
222.05588	1.5
224.03291	1.8
231.03012	1.8
234.05386	3.0
235.09727	2.2
237.07706	5.0
247.02484	2.6
247.06131	1.9
249.07669	7.4
250.04807	2.2
251.09303	1.8
261.07690	3.3
262.04935	4.2
265.07217	45.9
266.07584	3.9
277.07245	12.0
279.08646	1.4
281.06808	3.8
295.08331	23.7
296.08591	1.9
325.09393	8.1
333.79556	1.1
341.10959	47.4
342.11276	2.3
355.10364	7.1
383.09869	4.1
401.10983	100.0
402.11237	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	401.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	14.5
59.01263	15.2
59.28770	1.8
61.98721	4.0
70.46300	4.7
70.46712	3.7
71.01283	10.8
72.99203	4.6
73.02833	2.1
75.00757	3.9
76.96251	2.0
83.01284	2.8
84.02033	2.6
85.02846	100.0
86.03175	2.5
87.00789	3.1
89.02322	5.4
98.20515	2.4
101.02351	2.8
129.01891	9.7
147.02950	15.5
150.03128	2.4
163.28047	2.8
191.01950	40.7
209.02992	45.3
209.04619	2.5
341.10828	2.4
401.27509	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20478	0.4
57.41217	0.4
59.01273	3.8
64.48668	0.5
65.00203	0.6
65.69025	0.5
68.39655	0.4
69.34239	1.0
69.34646	4.3
71.01270	1.1
71.01684	0.4
77.03870	3.0
78.84476	0.5
79.01788	1.4
82.15889	0.5
83.09294	0.5
89.02299	0.6
93.03364	2.3
98.20599	1.1
105.03369	1.5
109.02895	0.6
117.03375	15.2
118.03733	0.6
119.04932	1.8
121.02878	2.9
125.02422	0.6
133.02855	0.9
135.04437	4.3
135.37146	0.5
145.02930	0.8
147.04462	0.8
149.02348	3.9
151.00291	0.7
159.04485	2.9
161.02403	7.9
163.00308	1.9
163.03960	5.0
165.01933	1.3
173.02415	1.2
175.04005	1.2
177.01971	0.7
179.03383	1.0
183.04514	0.7
185.02374	1.4
185.05928	0.6
189.01804	0.6
191.03458	2.6
193.01411	1.3
196.05237	1.0
197.06020	1.2
203.03548	2.6
211.07680	1.2
215.07143	1.6
224.04668	0.7
225.05453	0.9
229.01437	0.5
235.57298	0.5
237.05534	1.1
239.07167	2.1
243.06500	0.6
244.95993	0.5
253.05090	1.2
255.06615	0.8
267.06497	0.6
268.03909	4.3
269.04565	8.4
270.05023	0.8
270.86078	0.6
281.04605	10.7
282.05328	6.5
283.06177	72.3
284.06543	5.7
293.04599	3.6
295.06250	4.5
308.03247	0.8
309.04071	1.4
311.05673	100.0
312.05963	9.3
314.04321	2.1
323.05649	11.4
324.05969	1.3
341.06720	25.3
342.07132	2.2
347.05652	1.1
353.06610	0.9
365.06784	0.8
383.07932	1.7
401.08844	84.0
402.09268	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	399.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42599	0.6
57.03334	1.4
59.01265	100.0
60.01595	2.1
61.01684	0.7
62.76004	0.6
69.03329	1.2
69.71581	1.9
69.72015	2.7
71.01263	4.9
71.04931	1.4
73.02831	3.5
75.00742	0.7
79.12687	0.6
83.04916	1.5
85.02848	1.7
87.00773	3.7
89.02335	13.5
99.04424	0.7
101.02345	1.3
103.03902	1.3
113.02390	1.3
117.99656	0.6
131.03432	4.5
149.04497	68.4
150.04872	1.8
161.04520	0.7
161.13307	2.2
163.11313	1.0
169.93832	0.6
223.13400	72.9
224.13716	5.2
267.12427	19.0
268.12793	1.5
381.62210	0.8
399.11279	2.1
399.16660	27.2
400.17062	2.4
420.22742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.9
57.03051	1.2
57.03334	20.8
59.01265	4.6
64.28186	0.8
67.01778	1.8
69.42213	1.5
69.42616	5.1
71.01263	7.4
72.99201	2.3
73.02845	2.8
75.00757	3.0
83.01281	9.7
84.02060	2.7
85.02842	100.0
85.77555	0.6
86.03172	1.8
87.00780	2.0
89.02335	1.5
98.19838	1.5
99.00764	1.7
101.02341	4.6
105.78517	1.0
110.99996	1.3
111.00783	25.4
117.74696	0.8
129.01860	44.1
130.02174	1.7
131.03430	2.7
134.03662	11.8
137.34126	0.8
143.03461	0.8
147.02975	1.6
149.06023	1.5
151.04016	0.7
152.99359	0.7
161.04506	3.1
162.03357	0.9
169.88594	0.8
178.02634	1.3
187.02420	2.1
193.03482	1.1
193.05026	8.5
195.06544	1.0
205.03514	27.2
205.05426	1.7
206.03877	1.2
222.05327	1.9
223.04582	15.5
237.07745	2.7
353.60703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03330	1.6
58.00473	1.6
59.01267	38.1
59.96809	0.4
60.96730	0.4
61.84531	0.4
67.12926	0.5
69.03348	0.8
69.20401	0.4
69.63106	1.3
69.63528	2.1
70.92730	0.4
71.01273	22.2
72.99190	2.6
73.02837	1.3
83.01270	1.6
83.04926	3.3
85.02851	6.0
87.00764	1.3
88.35698	0.5
89.02338	21.2
91.05420	0.9
93.03334	0.5
93.06995	3.3
95.01301	1.8
96.95934	0.6
99.00796	3.0
101.02345	10.9
109.05631	0.6
111.00840	0.4
113.02355	7.1
113.03075	0.5
115.57793	0.4
119.03413	7.2
119.04942	2.0
123.08074	0.4
125.02383	3.3
129.01877	0.5
131.03427	0.7
133.10156	4.5
137.02434	0.4
143.03447	1.0
144.05811	0.8
145.06526	6.3
149.04541	0.8
154.02667	0.8
157.10187	1.8
158.07315	0.9
159.02917	1.1
159.04466	0.5
159.08112	5.0
160.08890	47.8
161.04529	1.0
161.09190	3.0
169.21193	0.5
173.09677	8.6
174.10046	0.8
175.11243	76.4
176.11603	5.2
179.05637	1.2
185.04500	2.7
191.01978	0.8
205.01424	0.5
205.03546	0.4
219.10268	100.0
220.03831	0.5
220.10600	7.3
223.04524	0.6
237.04160	0.4
251.11296	0.8
279.05246	1.0
297.06064	0.5
367.67023	0.4
399.08765	1.4
399.16687	46.5
400.17032	5.2
412.51324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.0
57.03334	15.5
58.00480	1.7
59.01265	39.2
65.49873	0.8
68.68324	0.7
68.99706	1.7
71.01274	30.8
71.53854	1.4
72.99200	19.6
73.02833	5.1
75.00772	15.5
83.01283	9.7
84.02066	2.4
85.02844	97.6
86.03160	1.8
87.00780	29.7
87.04411	1.5
87.25735	0.8
89.02341	12.3
93.03373	1.0
93.07010	0.8
95.01289	2.3
99.00778	5.0
99.04443	1.0
101.02351	16.8
102.99642	1.5
103.00283	21.4
103.03943	1.0
105.01842	40.9
111.00789	29.8
111.04423	1.2
112.01222	1.2
113.02362	15.1
113.05952	1.2
115.00320	1.7
115.03928	1.0
117.01855	1.8
117.03394	1.3
119.03445	3.4
121.06527	1.7
125.02322	1.0
126.63224	0.8
127.00320	1.7
129.01869	36.5
130.02074	0.8
131.03401	5.0
133.01352	5.7
134.03661	11.3
135.02927	19.4
136.05202	1.6
137.02396	1.2
137.09679	2.9
143.03400	1.7
147.02907	4.5
149.02374	0.9
149.04434	0.8
149.06017	2.0
151.07635	1.2
151.09865	0.8
152.08327	1.1
159.02901	1.1
160.08929	1.3
161.04538	5.3
161.09683	1.1
163.02577	1.1
163.07614	1.0
164.03481	1.4
165.09157	1.5
168.44049	0.8
173.00900	1.8
174.68271	0.8
175.02444	12.8
175.03871	1.4
175.11328	4.4
177.01813	0.8
177.04079	1.6
177.05452	1.5
187.02426	2.2
191.01997	2.9
193.03523	23.3
193.05098	8.4
193.08569	1.4
194.03853	1.2
201.09294	1.2
203.07248	1.1
205.03523	30.6
205.12312	1.1
206.03882	1.4
219.06750	1.6
219.10284	7.5
221.11919	0.8
223.04604	100.0
223.13431	3.1
224.04877	4.4
237.11316	1.3
237.15042	1.7
239.12984	1.9
249.07713	1.1
263.12894	4.9
265.10730	1.1
279.12552	3.1
281.14081	2.1
291.12619	2.6
293.06851	1.5
309.13455	9.7
353.08713	1.7
371.17188	1.3
381.15649	1.8
399.16769	37.0
400.17151	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	397.1815
Annotation	Macranthol
Peak:m/z	Relative Intensity
59.01264	3.4
61.98722	0.7
64.14762	0.3
66.44594	0.3
69.28517	2.8
69.28942	1.0
71.01270	1.1
101.02345	0.6
113.02334	0.4
125.37269	0.3
128.55360	0.4
129.43752	0.3
131.04951	0.5
132.05742	0.6
133.05498	0.8
133.06519	16.0
134.06870	0.6
135.40106	0.4
144.13411	0.4
148.05186	0.4
149.06026	8.1
161.04491	0.4
211.07596	0.8
217.00377	0.8
219.11870	0.4
223.07713	0.5
239.07178	0.8
245.09889	0.6
247.11259	1.3
261.09360	1.1
263.10815	18.9
264.11328	3.6
265.01706	0.8
280.11124	1.8
281.11777	0.7
315.10306	1.9
316.60959	0.4
337.12387	4.5
338.13208	0.6
339.13968	10.5
340.14236	1.1
355.13443	1.3
356.14258	23.8
357.14584	3.4
377.15561	1.8
379.17105	47.1
380.17468	7.1
397.18152	100.0
398.18472	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	399.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88687	0.8
55.01779	4.0
57.03337	17.2
59.01268	8.5
61.98717	8.1
67.01758	1.3
68.99683	0.7
71.01270	11.8
71.59584	1.0
72.99198	4.4
73.02832	2.4
75.00758	3.2
83.01276	9.0
84.02073	2.7
85.02845	94.5
86.03149	1.9
87.00779	2.9
89.02342	2.0
96.95905	0.8
99.00776	1.8
101.02354	9.3
103.00323	0.9
103.03909	1.0
110.19340	0.7
111.00793	35.0
115.05429	0.7
117.03389	1.0
119.03400	0.9
129.01868	30.3
130.02145	0.8
131.03438	2.2
131.14981	0.7
131.44737	0.8
134.03662	12.2
137.66568	0.7
143.03465	0.7
147.02916	3.0
149.06017	1.2
152.58533	0.7
160.01611	1.0
161.04564	3.7
175.02440	1.1
175.03825	0.9
178.04309	0.8
179.05580	1.3
187.02426	2.1
191.01935	1.2
193.03513	1.1
193.05034	5.2
201.09128	1.2
205.03523	32.2
206.03807	0.8
219.10291	1.4
220.11024	0.7
223.04597	100.0
224.04906	3.6
237.07794	0.8
380.71423	0.8
399.16971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.0
57.03341	18.0
57.06837	1.0
59.01243	3.1
67.01780	1.7
69.86707	7.1
71.01276	7.2
72.99216	3.9
73.02863	2.1
75.00773	3.9
83.01276	10.0
84.02052	2.5
85.02847	100.0
86.03137	1.3
99.00825	2.0
101.02333	6.6
111.00791	27.2
125.02338	2.6
125.05325	1.2
129.01863	38.1
130.02193	2.4
131.03395	2.2
134.03683	11.6
149.06038	1.0
161.04500	3.0
187.02483	2.7
193.05006	6.2
203.00978	1.1
205.03523	29.9
223.04590	23.4
263.89212	1.3
274.59033	1.0
370.29642	1.2
398.03766	1.1
399.09436	1.3
410.17398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	3.5
61.98729	0.7
71.01272	1.8
71.62531	0.7
71.62892	0.7
73.67705	0.6
117.01844	0.7
135.02928	0.9
152.01967	0.7
277.21780	100.0
278.22131	10.5
339.66306	0.6
353.99661	0.5
395.24274	2.7
395.28824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69891	1.6
58.87075	1.3
59.01267	37.2
60.60939	1.3
71.01283	7.2
71.47004	2.3
72.58966	1.5
73.02818	1.8
81.03349	29.7
83.01273	2.0
85.02850	3.3
87.00765	2.9
89.02332	3.7
97.02846	3.8
101.02333	6.1
113.02368	4.6
117.05471	2.0
119.03371	2.2
125.02368	100.0
126.02678	2.2
131.03398	3.8
149.89728	1.3
161.04526	10.4
192.86060	1.4
221.06670	25.4
286.75842	1.6
287.07794	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	395.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.0
57.03330	2.3
58.00477	4.2
59.01265	71.0
60.01608	1.4
61.98716	0.8
67.35030	0.5
69.03336	5.9
69.36720	3.0
69.37149	2.4
71.01270	94.1
72.01611	1.3
72.99193	5.0
73.02834	10.6
75.00760	1.7
81.03355	3.9
83.01274	6.2
83.04931	1.2
85.02845	16.3
87.00776	3.2
89.02338	89.2
90.02689	1.1
95.01284	2.9
97.02853	8.7
97.67533	0.5
99.00789	4.0
100.06960	0.5
101.02352	27.1
101.05984	100.0
102.02682	0.6
102.06305	3.4
106.04150	3.2
111.00780	1.0
113.02354	13.1
114.02751	0.8
119.03422	4.0
125.02368	30.6
126.02674	0.9
129.01839	0.6
130.99728	0.7
131.03427	21.3
138.03127	1.3
139.03912	1.2
143.03430	3.3
148.45306	0.6
149.04503	27.9
150.04713	0.6
161.04539	3.8
161.08411	0.9
161.09666	12.7
173.04497	1.1
173.08209	0.8
179.05528	0.8
191.03978	0.9
191.05597	11.0
202.58275	0.5
205.08742	1.0
223.74335	0.6
233.06477	6.9
233.08717	0.7
263.11469	10.3
293.08853	32.2
294.09125	1.8
395.10812	1.1
395.15454	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	393.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45382	0.4
59.01266	100.0
60.01618	1.5
71.01276	1.1
71.10987	1.3
85.02868	0.7
89.02346	0.8
96.95927	0.9
120.53378	0.4
137.09593	0.4
156.63220	0.4
164.04727	0.4
179.55971	0.3
188.06728	0.4
208.04536	1.0
208.54732	0.6
249.11328	0.4
255.10440	0.6
269.04703	1.2
311.09442	1.2
393.09918	0.7
393.23010	0.8
394.31085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59030	31.9
58.19355	31.0
70.72536	100.0
88.26142	36.6
99.81531	28.8
104.75683	30.8
121.64944	35.0
128.83377	32.9
170.72858	32.9
294.91858	37.1
321.10138	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03337	1.3
57.88686	0.2
59.00993	0.2
59.01270	2.1
61.00903	2.7
68.99694	1.5
69.03342	0.4
69.61018	0.2
71.01267	2.1
71.35312	0.4
72.99196	2.5
73.02826	0.8
75.00768	1.8
75.02474	1.9
78.95783	0.7
79.26466	0.1
79.91728	0.2
79.95621	0.3
80.96410	0.2
83.01278	1.5
84.99195	0.2
85.00916	2.6
85.02862	1.0
87.00775	0.9
87.04414	1.1
89.02342	1.0
93.58841	0.2
96.95917	11.9
96.96834	1.6
96.99202	0.6
98.00002	0.5
99.00785	2.2
99.02509	0.9
101.00468	0.2
101.02345	3.1
103.00262	0.9
103.01984	0.5
109.02832	0.4
111.00794	0.5
111.02493	0.2
112.98717	4.2
113.00426	0.3
113.02367	0.3
113.04069	0.6
114.98367	1.1
115.00264	0.4
115.01995	3.2
117.01864	0.4
124.98732	1.1
125.99556	0.3
127.00294	0.6
127.01997	0.9
129.01865	0.6
129.03569	0.8
131.01454	0.2
131.03464	1.2
132.99463	0.3
138.96997	0.5
142.99783	1.2
143.01477	1.2
145.01361	2.5
149.04501	1.1
153.01878	0.7
154.99747	0.8
156.03491	0.4
157.01378	2.3
157.03079	12.5
158.03444	0.4
159.02942	0.6
160.37386	0.2
161.18709	0.2
168.99380	0.3
171.01030	3.5
173.00854	0.6
175.04143	6.0
182.16920	0.2
187.00714	0.3
187.02458	1.7
188.02878	0.2
189.05734	3.9
199.00554	0.6
201.02017	0.3
217.01678	0.3
217.05257	2.9
218.05380	0.3
231.03139	0.8
241.00273	3.1
243.03358	0.2
247.02710	2.8
247.06406	0.2
248.03111	0.3
259.06387	1.1
262.06369	0.2
263.05838	10.7
264.06213	0.6
275.05820	0.2
303.05392	1.9
320.47238	0.2
335.07852	0.2
363.07532	1.6
395.10104	100.0
396.03174	0.4
396.10489	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	393.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
57.03338	2.1
58.00480	3.4
59.01265	87.3
60.01597	1.2
60.86931	0.3
67.62876	0.4
69.03346	0.9
69.26626	2.9
69.27039	0.8
71.01270	70.0
72.01613	1.1
72.84406	0.3
72.99202	3.7
73.02834	8.6
75.00762	0.4
83.01278	3.3
85.02846	10.8
86.00003	1.1
86.03182	0.4
87.00774	8.4
89.02339	100.0
90.02679	1.6
95.01289	0.8
97.02875	1.0
99.00786	0.9
99.42313	0.3
101.02349	46.1
102.02702	1.0
111.00793	1.1
113.02358	14.2
114.27764	0.3
115.03979	0.4
117.41156	0.3
119.03420	9.8
125.02390	2.3
129.01843	0.4
131.03427	47.6
132.03769	1.3
139.03938	0.5
143.03439	1.5
149.04498	78.4
150.04829	2.0
161.04530	1.7
171.10187	0.4
179.05594	3.2
191.05588	22.1
192.05942	0.6
233.06630	0.5
251.07806	0.7
261.13428	1.5
281.08713	0.4
293.08807	0.5
334.68384	0.3
393.17786	10.8
394.18121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.3
57.03342	1.2
58.00488	3.6
59.01266	91.2
60.01607	1.3
69.03347	0.5
69.72256	2.9
71.01271	68.9
72.01615	1.4
72.32580	0.4
72.99204	3.3
73.02834	8.6
75.00765	0.6
83.01273	2.8
85.02846	12.2
87.00774	2.6
89.02339	100.0
89.50698	0.5
90.02687	2.6
95.01275	2.7
97.02840	0.8
99.00786	2.5
101.02346	38.8
102.02668	0.9
113.02362	22.8
114.02718	0.6
119.03420	25.2
120.03773	0.7
125.02367	2.8
131.03433	19.0
132.03758	0.4
143.03410	5.9
147.80525	0.5
149.04500	39.4
150.04836	1.1
161.04494	6.3
179.05577	20.0
183.58002	0.5
191.04034	0.6
191.05592	7.6
234.61304	0.5
246.67393	0.4
261.13443	5.2
393.13062	0.7
393.17706	8.6
394.17795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.7
59.47689	0.5
61.98717	10.7
64.03812	0.5
71.01260	1.3
75.76495	0.6
89.02349	1.4
96.95905	1.2
98.13035	0.5
101.02374	0.6
109.02878	1.9
119.04914	0.6
134.03630	0.6
135.04445	3.3
145.02893	1.7
146.03687	6.8
147.04449	6.7
148.05206	1.9
149.06020	37.2
150.06351	1.4
157.06642	0.5
159.04457	21.6
160.04916	1.0
161.02420	2.3
161.04723	0.9
161.06027	8.7
161.07251	1.0
162.03177	1.1
172.05298	1.1
173.02423	0.8
173.06050	5.4
174.03178	33.4
174.06586	1.0
175.03917	3.4
175.07608	35.7
176.07893	2.6
182.07367	0.8
185.06052	6.8
186.06735	2.0
187.03981	5.4
187.07578	3.6
188.04770	12.0
188.08337	3.4
189.05544	32.0
189.09126	4.3
190.06265	5.3
199.11250	0.8
201.03906	0.7
201.05486	2.7
201.09187	2.9
202.06326	3.3
203.07121	100.0
203.10777	6.7
204.07887	76.6
205.08257	4.3
213.09116	0.6
214.06372	0.9
215.07278	0.6
215.10814	4.2
216.07930	5.4
217.12337	3.2
225.09203	4.9
227.10794	0.6
243.10289	12.4
244.10968	1.9
245.11853	84.8
246.12198	7.9
295.09808	0.8
319.74442	0.6
338.37622	0.6
365.17618	2.1
375.16132	3.6
376.16547	1.0
393.05704	0.8
393.17145	26.5
394.17520	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1717
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
50.59811	0.8
52.26862	0.7
55.59216	0.8
59.01272	1.4
65.94630	0.8
69.03326	0.8
70.38779	3.0
83.50939	0.8
108.02008	0.9
109.02858	12.0
121.02862	1.2
122.03669	1.8
133.02893	4.2
135.04445	6.6
137.02443	0.9
143.04933	1.1
145.02873	1.5
146.03676	12.5
147.04459	12.2
148.05197	3.3
149.02417	1.8
149.06021	67.6
150.03130	2.6
150.06386	2.9
151.07558	2.2
155.04964	0.9
157.06454	0.8
158.03709	0.9
159.04454	15.8
160.05205	2.6
161.02429	4.1
161.06027	10.7
162.03139	1.6
162.06754	1.3
163.03947	3.1
163.07552	1.1
172.05263	7.3
173.02437	5.7
173.06038	17.9
174.03201	9.6
174.06804	7.2
175.03981	9.0
175.07594	9.9
176.04739	2.8
177.05537	10.3
179.07091	2.1
180.50659	0.8
185.06085	4.0
186.06848	3.7
187.03996	11.5
187.07628	7.8
188.04753	16.4
188.08296	1.1
189.05556	21.7
189.09195	6.6
190.06326	21.3
191.06937	3.2
197.06174	1.1
199.07613	2.5
200.04825	1.1
200.08415	2.5
201.05557	12.6
201.09221	10.4
202.06342	38.3
203.07098	20.3
203.10715	5.4
204.07886	14.7
205.08362	1.8
210.06822	1.2
213.05551	1.9
213.09305	1.6
214.06383	3.5
215.07127	3.9
215.10728	3.9
216.07823	3.7
225.09219	8.4
229.08705	2.4
231.10350	1.3
243.10286	20.1
244.10840	3.9
245.11858	28.6
246.12187	1.5
254.06093	0.9
266.05936	1.5
277.05032	1.2
277.08664	1.0
278.06134	1.5
279.06601	2.8
280.07462	1.3
282.05151	0.9
282.09119	1.0
289.08804	0.9
290.05893	2.0
292.07263	0.9
293.04645	0.8
293.08234	1.3
294.05414	2.6
294.09039	7.7
295.06442	0.9
295.09650	3.8
304.07590	1.5
305.08240	7.4
306.08990	1.6
307.06265	1.0
307.09763	1.8
309.07712	1.4
309.11111	1.4
311.09619	1.1
317.08176	1.4
317.11856	0.9
319.09979	1.4
321.11423	1.4
323.09256	6.8
323.13000	5.0
331.09900	1.3
333.11343	3.4
334.12128	7.5
335.09283	2.7
335.13004	5.1
337.10876	5.1
338.11282	1.0
345.11499	1.1
346.12018	1.0
352.13138	9.4
364.13297	5.1
365.17639	1.5
375.16040	6.3
393.17163	100.0
394.17465	14.7
411.18060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1715
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
55.63077	0.9
59.01243	2.1
66.56148	0.8
71.34175	1.2
89.09913	1.0
90.43412	0.8
109.02843	4.6
115.15621	1.0
122.03629	1.4
131.04941	1.2
133.02895	1.3
135.04454	7.1
140.98372	0.8
143.05016	1.8
143.40710	0.9
145.02896	2.9
145.06519	2.1
146.03671	26.0
147.04463	14.3
148.05196	3.8
149.06021	100.0
150.03178	6.3
150.06345	4.6
151.07518	1.8
155.04990	1.7
158.03583	1.0
159.04456	15.4
160.05211	4.1
161.02345	3.5
161.06023	11.5
162.03194	4.5
163.03918	1.9
163.07608	8.1
171.04449	1.2
172.05295	8.8
173.02428	6.3
173.06035	23.9
174.03183	10.5
174.06769	7.3
175.03995	9.7
175.07649	5.5
176.04730	4.7
185.06047	4.1
186.06845	2.6
187.03976	19.1
187.07590	4.0
188.04761	56.0
189.05505	11.7
189.09149	4.0
190.06310	14.8
191.07106	18.3
192.07425	1.3
199.03931	1.2
199.07599	1.9
199.11298	1.3
200.04796	2.5
200.08464	2.2
201.05551	18.1
201.09172	26.9
202.06332	21.6
202.09399	2.1
203.07137	13.0
203.10728	8.5
204.07555	1.6
213.05560	1.2
213.09230	1.7
214.06270	2.1
215.07094	2.8
215.10750	9.5
225.09262	1.0
229.08665	1.6
231.10216	1.4
241.08772	1.4
243.10284	36.5
244.10867	5.0
245.11752	3.2
254.64703	0.9
263.69452	0.9
266.05621	1.0
270.58228	0.9
274.71667	1.0
277.05161	1.2
278.05878	1.5
279.07016	1.3
290.05740	1.0
291.06665	1.2
293.08365	1.0
294.08990	4.1
295.09756	2.2
305.08258	2.2
306.08710	1.3
307.09741	2.2
321.11432	1.3
323.09421	6.3
323.12833	1.8
335.09317	1.9
335.12958	4.3
336.13409	1.2
337.10806	1.4
346.12024	1.2
349.10815	2.0
351.16074	1.9
352.13187	3.7
363.12460	2.1
364.13159	7.4
365.17636	2.8
375.16245	1.9
393.17154	97.8
394.17538	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	393.1714
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
51.37364	1.3
59.00480	1.2
59.01264	14.5
61.98706	3.3
68.94372	1.0
69.61787	9.0
71.01266	3.5
78.95746	1.3
87.30766	1.2
89.02359	2.4
96.95931	1.6
98.20576	1.5
101.02341	1.9
115.06258	1.3
122.03681	1.5
131.04836	1.4
135.04422	4.7
146.03696	10.0
147.04459	22.5
148.05173	4.3
149.02415	1.4
149.06009	54.4
150.03174	6.5
150.06445	2.2
157.06546	2.1
159.04466	42.4
160.05185	3.8
161.02344	1.9
161.06018	17.7
162.03128	3.6
162.06810	4.9
163.07579	4.3
172.05318	2.6
173.06003	14.9
174.03116	9.3
175.03998	12.5
175.07591	23.9
176.04671	2.9
176.07915	1.9
185.06053	18.0
186.06679	2.4
187.03951	8.9
187.07637	3.8
188.04733	7.3
188.08363	2.3
189.05563	7.7
189.09120	4.7
190.04720	2.1
190.06319	25.5
191.07098	9.4
197.09676	1.2
201.05507	2.5
201.09143	3.9
202.06348	11.3
203.07123	67.4
203.10675	9.0
204.07504	4.4
214.06352	2.8
215.10774	5.1
217.00381	2.0
221.18842	1.3
225.09181	2.8
231.10190	1.6
243.10262	14.0
244.10764	1.6
245.11818	5.5
277.08466	1.3
293.21365	1.4
295.09589	2.0
300.80325	1.2
305.08401	1.8
311.22058	2.2
317.11444	1.7
324.14047	1.3
347.16464	2.8
349.14508	1.8
357.15128	1.2
365.17538	6.3
375.16107	7.5
392.27521	1.3
393.17142	100.0
394.17529	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	393.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.5
60.92844	0.8
61.98714	7.2
66.81738	0.9
71.01263	1.6
71.55996	1.3
96.95926	2.0
101.02359	0.8
113.11412	0.9
122.03584	1.3
135.04448	4.0
143.05034	1.3
145.02837	1.0
146.03654	8.1
147.04453	32.6
148.04892	1.6
149.02393	1.8
149.06010	19.2
150.03142	4.7
150.06334	1.5
151.07591	0.8
157.06534	1.0
159.04446	15.9
160.05186	2.6
161.02390	5.4
161.06017	23.5
162.03104	1.5
162.06810	2.3
163.07596	3.1
172.05215	4.3
173.06039	20.4
173.07524	1.1
174.03140	4.8
174.06633	1.5
175.03966	19.9
175.07581	14.9
176.04320	1.3
176.07957	1.1
185.06062	12.8
186.06645	1.4
187.03972	4.2
187.07637	6.7
188.04755	4.7
188.08112	1.3
189.05544	7.0
189.09074	1.2
190.06322	40.7
191.07062	5.6
200.04668	1.2
201.05534	4.0
201.09161	5.0
202.06308	1.6
203.07121	35.5
203.10764	3.9
204.07494	1.6
215.10716	1.0
217.00317	0.8
217.12325	1.9
225.09178	1.8
243.10304	2.7
244.10710	0.9
245.11879	5.9
305.08279	1.2
331.22830	0.9
334.11627	0.8
346.12210	1.0
375.16168	5.3
376.16550	1.0
393.17139	100.0
394.17496	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	393.1715
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
53.49044	1.5
54.74224	1.6
55.35642	1.5
59.01267	26.3
61.98717	4.5
62.82994	1.7
64.89671	1.7
69.97340	9.8
71.01273	3.5
73.02811	1.9
77.39879	1.8
86.10178	1.6
89.02351	5.0
96.95932	2.3
101.02332	3.0
112.11701	1.6
113.02382	2.4
122.03726	2.8
129.07091	1.9
130.62610	1.9
135.04437	4.5
145.02798	1.9
146.03670	16.6
147.04478	37.7
149.02373	2.8
149.06032	20.2
150.03178	4.8
159.04462	24.0
160.05196	6.9
161.02396	7.6
161.06026	26.5
162.03224	2.2
162.06590	2.1
163.07642	4.3
163.99319	3.5
172.05243	7.0
173.06001	18.7
174.03192	13.7
175.03993	26.5
175.07617	22.2
177.05511	2.8
179.01648	8.7
180.02402	2.2
185.06058	48.3
186.06490	3.0
187.04016	6.8
187.07657	18.9
188.04826	11.7
189.05547	7.2
189.09169	7.3
190.06328	42.0
191.06920	4.3
201.05580	2.6
201.09291	4.9
203.07127	97.6
203.10768	7.6
204.07632	5.2
213.00511	3.8
216.07921	2.7
217.12421	9.8
225.09219	4.4
245.11850	28.8
319.09674	1.9
375.16141	12.5
376.16489	2.4
393.17163	100.0
394.17426	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	393.1717
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
51.59502	0.5
59.01264	5.8
61.98682	0.6
70.19037	2.2
71.01269	0.8
75.00774	0.5
89.02335	0.8
96.95895	0.6
119.04938	0.6
121.02874	0.8
122.03638	1.1
129.03406	1.0
131.31335	0.5
143.04967	1.2
146.03687	4.3
147.04456	33.5
148.05243	9.7
149.02359	1.4
149.06018	46.2
150.06354	2.6
159.04457	1.7
159.43164	0.5
159.51491	0.5
160.05225	1.0
161.02368	2.4
161.06030	22.4
162.06517	0.8
163.07561	1.6
172.05215	3.3
173.02357	1.3
173.06029	2.3
174.03149	0.8
175.03967	21.7
176.04320	0.9
185.06004	0.8
186.06847	0.8
187.03998	1.2
187.07605	0.7
189.05524	7.1
190.06323	56.4
191.06732	3.6
199.07582	0.6
200.16057	0.5
202.06316	6.8
203.10783	0.9
214.06250	1.4
215.10725	1.9
219.10246	1.1
223.03403	0.6
227.10782	1.3
228.07938	0.7
243.10371	3.2
245.11852	3.4
295.22803	1.6
311.16885	1.3
363.27130	0.5
393.17136	100.0
394.17468	14.2
394.21747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.5
61.98718	100.0
62.98409	0.3
69.80568	1.9
71.01279	0.4
75.74142	0.3
81.03354	0.5
83.04919	1.4
96.95917	0.4
98.19804	0.5
104.74082	0.3
120.75953	0.3
147.04538	0.9
149.06038	1.1
151.02179	1.3
159.04533	0.7
161.06081	0.6
165.81810	0.3
173.06088	1.0
179.01729	2.2
180.02501	3.9
181.03236	2.9
187.07669	0.6
189.05565	3.1
199.07133	0.4
201.05547	0.6
201.09264	1.0
202.06487	0.4
203.07198	0.7
204.07898	5.7
215.07358	0.4
216.07973	1.1
243.10367	0.9
244.11296	0.4
245.11858	11.6
257.13278	0.4
329.08929	0.4
331.37979	0.3
342.18073	0.4
391.29678	1.3
392.21420	0.5
392.30075	0.9
393.17148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0297
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
54.43395	0.4
59.01264	19.2
60.01608	1.3
61.01677	0.5
61.98697	0.4
71.01268	3.7
71.04942	0.4
71.55107	0.9
71.55468	0.4
73.02850	1.2
75.00765	0.6
83.01266	1.0
85.02853	1.8
85.81097	0.4
87.00784	1.0
89.02333	2.4
95.01302	0.7
97.02843	0.7
98.75494	0.4
101.02323	2.7
108.01991	0.4
108.04465	1.9
109.02877	1.0
111.00815	0.4
113.02341	1.5
113.99500	1.2
115.00263	0.8
119.03446	0.8
121.02861	1.0
123.00806	0.5
124.01612	0.6
133.02904	0.6
133.06535	1.5
134.03636	0.9
137.02425	2.3
137.03323	0.5
143.03491	0.7
148.01631	0.6
149.04541	0.4
149.06050	0.4
150.05547	1.5
161.02356	1.5
161.04529	0.7
163.00273	0.6
164.01089	0.7
165.01839	0.9
176.01154	0.8
183.04425	2.5
189.01895	0.8
199.03970	3.4
209.11821	1.5
211.03993	1.3
226.02866	0.5
227.03491	22.2
228.03885	1.1
239.03488	1.0
252.04286	1.2
253.04895	0.6
255.03030	8.4
256.03287	0.7
269.04578	1.7
270.05313	2.1
279.02972	1.1
280.03903	2.9
281.04465	0.6
283.02533	45.3
284.02890	3.8
297.04123	3.2
298.04880	51.0
299.05188	4.0
313.07239	100.0
314.07578	10.6
392.27673	0.6
393.02939	19.0
393.10526	0.9
393.24191	0.7
393.28641	1.2
394.03192	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.2
59.01266	100.0
60.01594	1.5
61.69644	0.2
61.98715	1.0
70.18505	0.6
70.18916	0.5
71.01280	1.0
73.02824	0.3
75.00774	0.4
84.54223	0.2
85.02852	0.4
87.00754	0.2
89.02340	0.4
96.53517	0.3
97.31386	0.2
98.20422	0.3
101.02386	0.3
113.02391	0.2
135.04463	0.3
161.04570	0.3
165.12874	0.2
198.15340	0.2
226.45038	0.2
227.58879	0.3
273.28922	0.2
282.40338	0.2
356.94495	0.2
385.35968	0.2
391.08215	0.4
392.20856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01594	1.2
69.42601	1.9
71.01261	1.4
73.02865	0.3
85.02850	0.7
87.00798	0.4
89.02348	0.4
98.19832	0.6
101.02375	0.7
113.02361	0.4
150.03122	0.3
156.13356	0.2
183.13892	0.4
211.13603	0.3
229.14462	0.6
265.48523	0.2
391.20050	1.0
391.26343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03331	0.9
58.00463	0.4
59.01263	100.0
60.01597	1.1
60.09919	0.3
61.98709	0.5
69.03329	0.4
69.30971	3.4
71.01270	13.3
71.04907	0.4
72.99203	0.5
73.02834	5.2
73.91308	0.3
75.00769	1.0
83.01286	1.8
85.02845	3.9
87.00805	0.9
87.04352	0.4
89.02334	6.8
89.02847	0.5
95.01298	0.6
96.95914	0.5
97.06493	0.4
99.00787	1.0
101.02341	8.6
113.02358	4.7
119.03429	2.8
125.02318	0.8
131.03375	0.6
137.09610	0.3
143.03462	1.0
143.10634	0.4
148.94325	0.3
150.03162	0.3
151.11208	0.5
153.09149	0.6
155.10707	0.8
159.02876	0.4
161.04498	4.7
167.10677	0.5
179.05528	1.3
187.13351	3.0
191.05565	0.4
229.14349	0.5
253.14597	0.5
331.17725	2.7
331.24939	1.1
349.18741	6.5
350.19397	0.6
391.15686	0.4
391.20038	0.6
391.27069	12.6
392.27380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75182	0.4
55.01769	0.5
55.05224	0.4
57.03333	1.7
58.00479	0.6
58.02340	0.4
59.01263	100.0
60.01596	1.2
69.03325	0.4
69.44496	1.9
69.44926	2.0
71.01273	11.6
72.99223	0.5
73.02821	3.6
75.00780	0.5
77.46568	0.4
81.44123	0.4
83.01284	1.4
85.02843	7.1
89.02338	9.3
95.01277	1.0
97.02859	0.5
99.00827	1.1
101.02357	9.0
113.02353	6.0
119.03419	3.8
121.02907	0.7
122.03658	0.9
129.01863	0.7
139.11244	1.0
143.03488	1.6
149.02403	0.5
150.03183	4.3
150.05516	0.6
151.03896	0.9
159.02966	0.9
161.04520	4.8
165.05539	3.7
169.58601	0.4
179.05579	2.2
181.04918	0.7
183.10291	1.7
195.06567	2.6
211.09872	0.5
229.14577	0.5
229.18175	0.6
243.12398	4.2
296.41006	0.5
331.17642	3.1
331.25089	0.5
348.29446	0.4
349.18762	1.2
391.15811	1.1
391.19809	3.9
391.23529	2.6
391.27658	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03326	0.7
58.00484	0.8
59.01266	100.0
60.01602	1.3
68.89038	0.2
69.03361	0.6
71.01270	17.3
71.07990	0.4
71.08317	0.3
72.99201	0.8
73.02834	7.0
75.00764	0.5
79.46767	0.2
83.01285	2.4
85.02848	4.0
87.00782	1.2
87.04413	0.5
88.51151	0.2
89.02340	12.1
90.02682	0.3
93.30886	0.2
95.01278	1.2
97.02865	0.3
99.00785	1.9
101.02348	13.7
101.06004	0.3
102.36384	0.2
113.02361	7.2
119.03423	5.5
119.04257	0.3
124.01640	0.4
125.02391	0.6
131.03447	1.0
135.04485	0.9
137.02469	0.3
143.03435	1.8
146.03700	0.3
147.04454	0.3
148.05234	0.4
149.02518	0.3
149.04478	1.2
150.03171	0.7
159.02940	0.5
160.05316	0.7
161.02400	0.4
161.04517	4.7
161.05911	0.5
162.03185	1.1
162.04803	0.4
163.03986	0.4
164.04840	0.3
165.05556	0.3
173.06035	0.6
175.04073	0.3
176.04723	0.4
177.05519	1.7
178.06268	0.4
179.05611	2.9
184.05280	0.3
185.11810	0.4
187.13362	3.8
188.04710	1.5
189.05421	0.4
190.02737	0.3
190.06346	0.3
191.07141	0.3
195.06662	0.4
202.06406	0.5
203.07228	0.4
204.04282	0.8
205.05058	0.8
207.06575	0.4
212.72980	0.2
216.04294	0.3
217.08772	1.7
219.06609	2.3
221.08266	0.9
231.06689	0.9
233.04466	0.4
235.06126	1.1
243.12386	0.3
249.07651	1.3
250.08186	0.3
251.05797	1.1
251.08043	0.3
252.06036	0.3
261.07993	0.3
265.07080	0.6
281.76132	0.2
291.08832	0.4
293.06723	2.6
295.07175	0.3
309.09921	0.3
331.17679	7.2
332.18188	0.7
343.12094	0.6
349.18744	15.9
350.19135	2.0
353.08853	6.9
354.09280	1.1
355.09399	0.7
391.06259	1.7
391.15414	0.4
391.19763	6.7
392.20105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03326	0.7
58.00484	0.8
59.01266	100.0
60.01602	1.3
68.89038	0.2
69.03361	0.6
71.01270	17.3
71.07990	0.4
71.08317	0.3
72.99201	0.8
73.02834	7.0
75.00764	0.5
79.46767	0.2
83.01285	2.4
85.02848	4.0
87.00782	1.2
87.04413	0.5
88.51151	0.2
89.02340	12.1
90.02682	0.3
93.30886	0.2
95.01278	1.2
97.02865	0.3
99.00785	1.9
101.02348	13.7
101.06004	0.3
102.36384	0.2
113.02361	7.2
119.03423	5.5
119.04257	0.3
124.01640	0.4
125.02391	0.6
131.03447	1.0
135.04485	0.9
137.02469	0.3
143.03435	1.8
146.03700	0.3
147.04454	0.3
148.05234	0.4
149.02518	0.3
149.04478	1.2
150.03171	0.7
159.02940	0.5
160.05316	0.7
161.02400	0.4
161.04517	4.7
161.05911	0.5
162.03185	1.1
162.04803	0.4
163.03986	0.4
164.04840	0.3
165.05556	0.3
173.06035	0.6
175.04073	0.3
176.04723	0.4
177.05519	1.7
178.06268	0.4
179.05611	2.9
184.05280	0.3
185.11810	0.4
187.13362	3.8
188.04710	1.5
189.05421	0.4
190.02737	0.3
190.06346	0.3
191.07141	0.3
195.06662	0.4
202.06406	0.5
203.07228	0.4
204.04282	0.8
205.05058	0.8
207.06575	0.4
212.72980	0.2
216.04294	0.3
217.08772	1.7
219.06609	2.3
221.08266	0.9
231.06689	0.9
233.04466	0.4
235.06126	1.1
243.12386	0.3
249.07651	1.3
250.08186	0.3
251.05797	1.1
251.08043	0.3
252.06036	0.3
261.07993	0.3
265.07080	0.6
281.76132	0.2
291.08832	0.4
293.06723	2.6
295.07175	0.3
309.09921	0.3
331.17679	7.2
332.18188	0.7
343.12094	0.6
349.18744	15.9
350.19135	2.0
353.08853	6.9
354.09280	1.1
355.09399	0.7
391.06259	1.7
391.15414	0.4
391.19763	6.7
392.20105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
57.49157	0.2
58.00489	0.3
59.01266	100.0
60.01603	1.4
61.98700	0.5
71.01271	6.4
71.60918	0.3
72.99186	0.4
73.02843	1.8
73.03193	0.3
83.01288	0.9
85.02840	2.2
87.00809	0.4
89.02332	3.0
90.02697	0.3
95.01314	0.4
96.95951	0.4
99.00791	0.8
101.02346	3.7
111.00819	0.3
113.02359	2.9
119.03418	1.7
125.86393	0.3
130.50237	0.2
137.28540	0.2
141.00563	0.3
141.44933	0.2
143.03429	0.4
146.19177	0.2
150.03212	0.3
161.04521	2.7
179.05647	0.3
187.13420	0.7
291.82858	0.3
331.17651	2.7
331.25174	0.4
332.18149	0.3
349.18784	1.1
391.19385	0.9
391.27515	4.4
392.27887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01949	0.2
55.01756	0.3
58.00498	0.2
59.01265	100.0
60.01588	1.1
64.58681	0.2
68.29668	0.2
69.27428	1.2
69.27853	0.8
71.01276	4.0
72.99201	0.3
73.02833	0.5
79.72433	0.2
83.01260	0.3
83.71388	0.2
85.02863	1.0
87.00782	0.4
89.02337	6.0
94.17071	0.2
95.01290	0.2
98.20588	0.3
99.00783	0.2
101.02347	3.2
105.26133	0.2
113.02366	1.9
119.03426	3.1
123.04419	0.2
125.02527	0.2
131.03413	0.3
137.02417	0.4
143.03505	0.6
149.04533	0.2
150.03151	0.3
151.04041	0.2
161.04485	1.3
165.05492	0.4
175.02687	0.3
179.05588	2.3
195.06717	0.4
331.17722	1.4
332.18192	0.3
362.56442	0.2
376.15549	0.3
391.17422	1.5
391.27377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46817	0.7
50.59204	0.6
57.03329	2.6
59.01265	73.1
60.01602	0.9
69.36395	2.7
69.36825	3.7
71.01267	5.8
73.02832	2.7
81.31046	0.7
83.01288	0.6
85.02847	3.0
87.04407	1.8
89.02351	5.1
93.03366	1.6
101.02361	4.0
101.05936	0.7
108.02081	1.0
109.02931	0.9
111.08069	1.0
111.11758	0.7
113.02367	3.1
115.07529	1.2
119.03394	2.3
119.04940	1.3
121.02874	6.0
122.03652	10.3
123.04445	5.0
125.09599	0.7
133.02873	2.6
134.03653	1.3
135.04446	4.2
136.01584	0.7
136.05240	11.0
143.10735	1.9
149.02382	17.5
150.03169	92.1
151.03967	21.4
151.07542	2.2
152.04338	1.4
153.09221	0.8
155.10800	0.7
159.10165	0.8
161.04546	1.9
164.04730	3.7
165.05525	100.0
166.05881	5.3
171.13828	0.8
179.05687	0.8
180.04236	7.1
181.05025	16.1
181.08630	1.9
186.12085	0.6
195.06613	84.5
196.06953	3.7
201.14970	1.0
229.14404	1.6
243.12393	1.2
245.17627	1.2
259.19345	0.9
283.09988	1.4
284.10553	1.2
311.09305	4.0
331.17725	1.2
331.25098	3.5
343.11948	19.4
344.12305	2.3
390.26035	1.6
391.09726	0.5
391.14157	15.2
391.19791	9.4
391.27072	43.6
392.14374	1.9
392.27475	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46817	0.7
50.59204	0.6
57.03329	2.6
59.01265	73.1
60.01602	0.9
69.36395	2.7
69.36825	3.7
71.01267	5.8
73.02832	2.7
81.31046	0.7
83.01288	0.6
85.02847	3.0
87.04407	1.8
89.02351	5.1
93.03366	1.6
101.02361	4.0
101.05936	0.7
108.02081	1.0
109.02931	0.9
111.08069	1.0
111.11758	0.7
113.02367	3.1
115.07529	1.2
119.03394	2.3
119.04940	1.3
121.02874	6.0
122.03652	10.3
123.04445	5.0
125.09599	0.7
133.02873	2.6
134.03653	1.3
135.04446	4.2
136.01584	0.7
136.05240	11.0
143.10735	1.9
149.02382	17.5
150.03169	92.1
151.03967	21.4
151.07542	2.2
152.04338	1.4
153.09221	0.8
155.10800	0.7
159.10165	0.8
161.04546	1.9
164.04730	3.7
165.05525	100.0
166.05881	5.3
171.13828	0.8
179.05687	0.8
180.04236	7.1
181.05025	16.1
181.08630	1.9
186.12085	0.6
195.06613	84.5
196.06953	3.7
201.14970	1.0
229.14404	1.6
243.12393	1.2
245.17627	1.2
259.19345	0.9
283.09988	1.4
284.10553	1.2
311.09305	4.0
331.17725	1.2
331.25098	3.5
343.11948	19.4
344.12305	2.3
390.26035	1.6
391.09726	0.5
391.14157	15.2
391.19791	9.4
391.27072	43.6
392.14374	1.9
392.27475	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	390.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31575	0.3
59.01261	9.6
61.98716	100.0
69.82324	2.1
71.01292	0.4
92.90327	0.4
98.19782	0.5
101.02335	0.6
111.03287	0.3
319.30289	0.4
325.21490	0.5
331.17740	0.6
390.07199	0.4
404.97708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	35.0
60.01588	0.9
62.93534	0.7
65.00976	0.8
67.57214	0.8
70.18111	0.7
71.01268	9.5
71.54142	1.3
72.01590	0.8
72.99197	1.4
73.02828	2.2
75.00761	1.1
78.37701	0.8
83.01244	1.3
85.02841	3.7
87.00753	0.7
87.12081	0.8
89.02342	5.9
93.03348	2.2
95.01258	1.0
99.00771	1.1
99.04436	0.9
101.02332	6.9
108.02063	1.5
109.02888	0.7
111.00798	1.0
113.02380	4.5
119.03436	2.2
119.04952	1.1
121.02874	7.7
122.03662	12.3
122.06055	1.0
123.04427	6.7
124.01572	1.9
125.02374	1.2
132.02165	1.0
133.02882	3.3
134.03610	1.5
135.04457	5.8
136.01540	1.4
136.05237	9.2
136.32440	0.7
137.02371	1.3
139.03952	1.1
149.02394	23.3
149.05991	1.7
150.03168	98.8
151.02568	1.1
151.03954	24.8
151.07518	1.4
152.04274	1.6
161.04510	2.1
164.04761	5.2
165.05522	100.0
166.05910	5.9
180.04218	6.7
181.05013	16.7
182.05493	1.2
188.10464	0.8
195.06606	86.1
196.06924	4.2
229.14529	1.3
232.53079	0.8
243.12241	0.8
283.09766	1.8
311.09308	5.1
331.17776	1.4
343.11905	20.9
344.12421	2.3
349.18866	1.2
361.13110	1.0
391.14142	16.7
391.19614	5.1
391.27585	1.4
392.14288	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2555
Annotation	bhos#24
Peak:m/z	Relative Intensity
52.35361	0.4
57.03339	2.5
58.78099	0.4
59.01266	86.7
60.01597	0.5
63.79062	0.4
68.38344	0.5
69.03329	0.6
69.45053	3.4
71.01270	3.7
71.04913	3.7
72.99207	0.7
73.02843	1.7
78.01250	0.5
83.01298	0.5
83.04930	0.5
85.02852	1.8
85.06499	0.6
87.00777	0.5
89.02338	2.1
95.01308	0.6
97.06478	2.9
99.08062	1.1
101.02340	3.2
101.06001	0.6
111.08072	1.1
111.94270	0.4
113.02371	2.0
113.09679	0.7
115.07589	0.7
119.03412	0.6
120.28885	0.5
121.02992	0.4
123.08096	3.2
125.09657	0.9
127.11182	2.4
135.04317	0.4
137.09657	1.8
139.07634	0.9
139.11247	1.4
141.09164	1.0
143.10809	0.7
149.04640	0.5
149.09697	0.7
151.11229	0.5
152.08372	1.1
155.10756	1.3
157.12282	8.9
157.13509	0.8
158.12627	0.7
161.04523	1.2
165.05463	0.5
167.10724	0.8
169.12341	0.6
175.03973	0.8
179.05563	0.6
191.14496	0.4
192.22133	0.4
192.40128	0.4
193.05054	1.1
194.05621	0.4
203.07033	0.4
205.15941	0.8
216.13742	1.6
223.09816	1.0
261.18631	1.3
263.20193	7.2
264.20514	0.5
275.20261	0.8
281.21335	1.1
293.21271	6.6
294.21515	0.9
311.22354	4.1
329.23193	2.4
347.17188	2.0
359.15021	1.2
371.24463	1.0
389.25552	100.0
390.25870	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	389.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50417	0.9
59.01266	100.0
66.20911	0.8
70.39292	2.2
70.39681	2.0
72.55331	0.9
79.91598	1.0
89.54315	0.9
99.60753	1.0
178.61275	0.9
263.45157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65187	0.6
56.30880	0.6
59.01265	16.0
61.98718	100.0
63.29170	0.7
69.32930	7.7
71.01275	1.5
82.27901	0.7
82.38455	0.8
85.02878	0.7
99.00739	0.7
161.03186	0.8
166.13177	0.7
183.13927	2.8
184.14264	2.9
194.40071	0.7
217.00398	1.3
227.12852	3.5
228.13313	4.8
351.82141	0.7
367.42960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.7
58.00488	1.3
59.01265	93.8
60.01593	1.1
67.51115	0.3
71.01270	9.5
71.04910	0.8
71.55332	0.5
72.99200	0.6
73.02837	4.7
73.47339	0.3
75.00771	0.8
83.01266	0.8
83.04901	0.4
85.02852	3.4
87.00787	0.9
87.04404	6.7
89.02343	8.6
95.01274	0.5
95.05009	0.4
96.95924	0.6
97.06490	2.0
99.00764	0.7
99.04443	0.7
101.02345	5.2
109.06514	0.5
111.08088	1.1
113.02348	5.6
113.09635	1.8
115.07596	0.4
119.03424	3.6
120.72106	0.4
123.07312	0.4
123.08076	2.0
124.05182	0.5
125.02345	0.4
125.09636	1.0
131.03464	0.4
137.09682	0.6
139.07620	1.6
139.11237	0.8
141.09180	0.5
141.12785	6.5
143.03477	0.6
149.04547	0.5
149.06070	1.1
149.09686	0.5
152.08325	0.7
153.09187	1.5
157.12296	0.6
161.04515	1.5
165.12766	1.1
167.10706	1.5
169.12335	1.2
171.13884	5.4
177.12828	0.5
179.05594	1.5
181.12267	0.8
183.13885	1.3
185.11816	0.7
187.09729	34.4
187.13251	2.6
188.10051	1.1
199.05145	0.9
199.13356	1.0
201.14946	18.2
202.15260	0.8
209.15417	0.8
216.13763	1.1
217.10831	1.0
219.17508	0.5
225.11446	0.6
227.13078	1.9
227.16457	0.8
241.06262	0.6
251.20137	0.5
257.09476	0.5
257.17859	0.4
263.20370	0.7
275.20123	0.6
283.11035	0.9
291.19766	0.6
293.21283	5.0
294.21970	0.4
299.11545	0.6
311.22363	3.3
313.11987	3.0
314.12140	0.4
329.16095	0.8
329.23285	2.4
344.56412	0.4
347.17233	1.1
367.12680	1.0
371.24380	1.9
389.25555	100.0
390.21210	0.7
390.25922	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	389.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92362	0.4
57.03339	2.6
57.38229	0.4
59.01268	83.9
60.01605	0.8
69.03350	0.4
69.64444	0.3
69.66922	2.6
69.75421	0.3
71.01276	3.0
71.04913	3.7
73.02844	1.3
75.00797	0.4
83.01310	0.4
83.04941	0.6
85.02412	0.3
85.02825	1.9
85.06497	0.6
87.00803	0.5
88.58160	0.3
89.02339	2.4
90.26495	0.3
92.90925	0.3
95.01328	0.3
97.06485	2.5
98.20632	0.4
99.08052	0.4
101.02357	1.6
103.63112	0.4
109.06509	0.4
111.08089	1.2
113.02351	2.4
115.07552	0.4
119.03408	1.1
123.08096	3.6
127.11237	2.6
135.08153	0.5
137.09671	1.6
139.11240	1.2
141.09189	0.7
145.06108	0.6
149.09665	0.4
151.11200	0.6
152.08400	0.8
153.09157	0.9
155.10767	0.9
157.12296	9.8
158.12727	0.7
161.04526	1.1
166.09937	0.7
167.10762	1.0
169.12248	0.6
185.11668	0.5
187.13409	0.4
205.15988	0.9
216.13649	1.3
227.07170	1.1
227.12810	0.5
233.15530	0.5
237.18639	0.6
245.19090	1.1
259.19385	0.5
261.18637	0.7
263.20227	7.3
264.20511	0.7
275.20200	0.9
279.19800	0.6
281.21326	1.5
293.21310	5.4
294.21857	0.5
299.22327	0.6
311.22394	3.3
327.25110	0.4
329.16278	0.6
329.23413	2.1
330.23758	0.6
347.17081	0.6
359.20880	0.9
370.47379	0.3
371.24493	0.5
389.25558	100.0
390.25882	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	389.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
65.87939	8.8
69.43229	79.3
104.23236	8.3
198.32111	10.8
343.70581	10.1
357.45374	12.0
365.95374	10.5
407.73795	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	389.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52577	0.2
55.01773	3.5
57.03337	4.8
58.00477	2.0
59.01264	46.1
60.01603	0.6
67.01746	0.2
68.99728	0.3
69.03342	1.3
69.60591	1.3
71.01270	96.1
71.04904	14.7
72.01611	1.8
72.05244	0.4
72.99197	4.2
73.02836	24.9
74.03198	0.4
75.00768	1.3
79.38500	0.3
81.03358	0.8
83.01279	9.8
83.04900	0.5
83.75971	0.2
84.02064	0.8
85.02843	38.2
85.06473	0.3
86.03186	0.9
87.00771	4.3
87.78306	0.2
89.02338	27.9
90.02700	0.6
95.01283	7.0
95.04898	0.4
95.08549	0.4
97.02850	2.5
97.06502	0.3
98.03642	3.7
99.00107	0.4
99.00780	12.5
101.02348	61.0
102.02676	1.4
105.01860	0.3
109.06519	0.8
111.00771	1.0
111.08087	0.5
112.05222	0.4
113.02357	43.2
114.02683	1.0
115.00266	0.3
115.03931	0.3
119.03419	10.0
121.06472	0.3
122.03720	0.3
123.08090	1.6
124.05231	2.9
125.02385	2.4
127.07565	0.8
129.01834	1.8
129.05516	0.6
131.03444	1.4
137.02373	0.3
137.05908	0.2
137.09647	3.8
138.06824	1.7
138.09930	0.3
139.00272	0.3
139.07581	13.4
140.07977	0.9
141.09163	0.5
143.03433	5.2
147.08095	0.3
149.04503	0.7
151.07584	0.5
153.09155	8.5
154.09460	0.3
155.10718	50.9
155.26961	0.2
155.40918	0.2
156.11047	2.5
159.02934	11.0
160.03302	0.3
161.04500	55.4
162.04840	1.9
165.05476	0.2
165.12796	0.7
173.11688	0.2
179.05560	3.3
183.10222	0.4
193.04930	0.4
195.10272	0.4
199.09686	2.0
205.03548	2.7
209.11868	0.6
209.15465	1.5
213.11343	0.6
227.16528	100.0
228.16872	8.3
236.24411	0.3
255.40340	0.2
311.18964	0.3
313.08218	0.3
389.17993	9.0
389.21933	12.5
390.18289	1.0
390.22751	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	389.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52577	0.2
55.01773	3.5
57.03337	4.8
58.00477	2.0
59.01264	46.1
60.01603	0.6
67.01746	0.2
68.99728	0.3
69.03342	1.3
69.60591	1.3
71.01270	96.1
71.04904	14.7
72.01611	1.8
72.05244	0.4
72.99197	4.2
73.02836	24.9
74.03198	0.4
75.00768	1.3
79.38500	0.3
81.03358	0.8
83.01279	9.8
83.04900	0.5
83.75971	0.2
84.02064	0.8
85.02843	38.2
85.06473	0.3
86.03186	0.9
87.00771	4.3
87.78306	0.2
89.02338	27.9
90.02700	0.6
95.01283	7.0
95.04898	0.4
95.08549	0.4
97.02850	2.5
97.06502	0.3
98.03642	3.7
99.00107	0.4
99.00780	12.5
101.02348	61.0
102.02676	1.4
105.01860	0.3
109.06519	0.8
111.00771	1.0
111.08087	0.5
112.05222	0.4
113.02357	43.2
114.02683	1.0
115.00266	0.3
115.03931	0.3
119.03419	10.0
121.06472	0.3
122.03720	0.3
123.08090	1.6
124.05231	2.9
125.02385	2.4
127.07565	0.8
129.01834	1.8
129.05516	0.6
131.03444	1.4
137.02373	0.3
137.05908	0.2
137.09647	3.8
138.06824	1.7
138.09930	0.3
139.00272	0.3
139.07581	13.4
140.07977	0.9
141.09163	0.5
143.03433	5.2
147.08095	0.3
149.04503	0.7
151.07584	0.5
153.09155	8.5
154.09460	0.3
155.10718	50.9
155.26961	0.2
155.40918	0.2
156.11047	2.5
159.02934	11.0
160.03302	0.3
161.04500	55.4
162.04840	1.9
165.05476	0.2
165.12796	0.7
173.11688	0.2
179.05560	3.3
183.10222	0.4
193.04930	0.4
195.10272	0.4
199.09686	2.0
205.03548	2.7
209.11868	0.6
209.15465	1.5
213.11343	0.6
227.16528	100.0
228.16872	8.3
236.24411	0.3
255.40340	0.2
311.18964	0.3
313.08218	0.3
389.17993	9.0
389.21933	12.5
390.18289	1.0
390.22751	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	389.1826
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.97575	0.6
57.03324	1.0
58.00495	0.7
59.01265	86.3
67.53358	0.6
70.48370	1.7
70.48724	1.2
71.01270	12.7
73.02837	4.6
76.67503	0.6
83.01289	3.1
85.02850	6.0
87.00758	0.6
89.02331	5.4
95.01289	1.0
98.20485	0.6
98.53331	0.7
99.00782	2.1
101.02347	12.2
113.02367	5.2
116.39502	0.7
119.03407	1.7
130.31363	0.6
134.03696	0.8
159.02956	1.0
161.04478	1.7
162.03113	0.8
162.88115	0.7
173.06004	0.9
177.05515	1.3
188.04829	0.9
204.04156	1.0
217.08598	1.2
219.06734	0.8
251.05624	0.9
293.06781	1.3
316.96063	0.7
329.16113	0.8
353.08737	3.8
389.18250	100.0
390.18585	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	389.1827
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.95911	0.2
57.03339	0.8
58.00484	0.3
59.01263	6.1
63.94186	0.2
69.03368	0.4
69.28674	0.8
69.29102	1.1
71.01273	3.6
72.99170	0.2
73.02857	0.5
79.80293	0.2
83.01324	0.2
83.04914	0.2
85.02856	1.5
87.00826	0.2
89.02341	2.8
95.01303	0.4
97.06483	0.6
101.02347	1.5
111.08064	1.4
113.02351	3.1
119.03427	0.6
143.03465	0.3
161.04553	0.8
163.11139	0.2
165.12802	24.2
166.13141	1.5
179.05585	0.4
179.14417	0.2
181.12314	0.3
183.13872	85.6
184.14212	5.6
191.10806	0.4
195.13943	0.2
197.15459	2.0
207.13911	1.7
209.11815	2.9
225.14992	1.8
225.23763	0.2
227.12891	100.0
228.13228	7.7
228.15524	0.3
241.14546	0.3
251.12927	3.1
252.13324	0.3
269.14014	1.7
270.14218	0.2
293.14047	0.4
329.15994	0.4
353.16321	0.2
389.18216	3.6
390.18576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.75003	0.3
57.03341	1.0
59.01264	12.5
59.27427	0.3
65.99570	0.4
66.44597	0.4
69.03346	0.7
71.01273	6.6
72.99184	0.6
73.02847	1.0
85.02383	0.4
85.02809	2.1
89.02339	4.9
90.03667	0.4
95.01280	0.8
97.06470	0.5
98.20679	0.8
101.02349	3.8
104.47414	0.5
111.08065	1.8
113.02355	6.0
119.03397	1.6
129.42097	0.4
132.80879	0.4
143.03391	0.6
159.02908	0.5
161.04494	1.5
165.12801	21.5
166.13141	1.7
167.10542	0.5
171.25459	0.5
179.05533	1.0
183.13875	69.1
184.14229	4.4
195.13875	0.5
197.15416	1.7
207.13930	1.7
209.11911	3.1
225.14948	1.6
227.12898	100.0
228.13258	6.8
237.14842	0.5
243.61676	0.4
251.12898	5.1
252.13370	0.6
263.12985	0.6
269.13998	2.2
276.90305	0.4
293.14008	1.4
329.16031	1.0
353.15878	0.4
389.18219	2.8
389.25482	4.0
390.18588	0.6
390.25995	0.5
404.01639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76813	0.4
54.01966	0.4
57.03327	1.2
59.01265	8.7
62.33270	0.4
69.38882	4.4
71.01266	5.4
77.26611	0.5
80.85555	0.4
82.74052	0.4
83.04883	0.5
85.02827	1.8
87.00771	11.6
89.02340	4.2
91.33824	0.5
93.77394	0.4
98.19794	1.0
100.60229	0.4
101.02347	3.5
111.08054	1.8
113.02374	4.9
119.03398	1.3
121.07765	0.4
142.74695	0.5
161.04500	1.1
165.12796	22.2
166.13191	0.8
179.05602	1.3
183.13867	60.0
184.14197	4.3
197.15457	1.3
207.13890	2.1
209.11867	2.5
225.14931	1.0
227.12888	100.0
228.13196	6.0
229.08812	1.2
231.06712	1.4
239.07251	2.2
251.12897	5.0
257.08286	2.2
265.08853	0.5
269.13965	1.6
270.11505	0.5
281.14236	0.5
293.14001	1.5
329.15958	0.8
389.08908	6.4
389.18140	3.5
390.09058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1464
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01768	6.3
55.02037	2.5
58.99487	2.8
59.01266	60.8
61.98707	2.6
71.01273	59.2
71.59091	3.2
72.99189	4.5
73.02837	15.0
75.00764	3.5
82.31113	2.6
83.01281	11.0
85.02853	28.9
87.00761	7.1
89.02339	21.1
95.01257	6.8
96.95934	2.7
99.00787	5.4
101.02343	40.2
109.02872	5.6
113.02353	20.3
119.03418	9.7
131.03416	3.2
137.02371	53.7
138.03113	3.4
152.04738	26.3
153.05403	4.0
161.04509	7.8
167.07126	6.3
179.03479	8.2
184.03734	7.6
190.31766	2.5
190.81938	2.9
193.56810	2.5
194.05849	5.3
197.04617	5.2
208.53564	2.4
209.08177	9.7
212.06891	35.4
227.09259	100.0
228.09645	4.0
245.56372	2.1
299.53708	2.3
348.04150	2.4
386.77777	2.6
389.09644	5.4
389.14645	87.8
390.15045	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	387.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01583	1.2
61.98708	2.3
70.72545	1.8
71.01226	0.8
72.81901	0.8
98.20567	1.1
124.80885	0.8
150.46440	0.9
157.50418	0.8
161.04369	0.8
161.98596	0.7
169.80150	1.1
203.52907	0.7
233.53011	0.8
235.20602	1.1
239.99803	0.8
253.21761	8.0
254.22166	1.2
308.42444	0.8
314.26566	0.8
314.94891	0.8
315.25723	1.1
357.49527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.2
61.55059	0.4
71.01281	1.7
71.19885	0.5
71.20215	0.8
73.02850	0.5
83.01247	0.4
85.02862	0.8
85.40759	0.4
87.00774	67.7
88.01124	1.2
89.02330	0.9
94.71969	0.4
101.02370	0.7
107.04946	0.7
107.52579	0.4
113.02363	0.5
130.99776	1.4
159.04477	1.4
183.04503	0.6
183.08110	2.4
183.13901	1.3
185.06049	0.5
188.63896	0.4
193.06461	0.6
196.05319	1.7
197.06058	0.6
198.03387	0.6
199.03891	0.7
209.06082	0.9
210.06586	0.5
211.07646	9.7
212.04710	0.5
212.08005	0.9
213.05632	1.1
213.09187	0.6
214.02721	10.9
214.06052	2.1
215.03496	48.5
215.06914	1.2
216.03816	4.6
219.03006	0.4
221.06070	1.1
222.06854	0.7
223.07545	1.1
224.04756	1.2
225.05475	0.6
225.09348	0.7
227.03661	0.7
227.07050	0.5
227.12872	1.4
228.07919	1.9
229.08719	6.0
230.02199	1.5
231.02919	0.6
235.07706	1.3
236.04788	0.7
236.08449	0.6
237.05577	1.3
237.09250	4.2
238.06390	2.8
238.09071	0.4
239.07152	22.3
240.04300	0.9
240.07512	1.4
241.05096	4.0
242.05861	5.4
249.05537	2.4
250.06432	1.2
252.04245	0.7
252.07939	0.5
253.08777	3.2
255.06949	0.8
255.10295	2.9
256.07486	1.9
257.08234	46.7
258.08551	3.8
260.07126	0.6
263.07208	0.6
265.05255	0.7
265.08737	3.8
266.05920	0.9
266.08936	0.5
267.06677	22.4
268.07101	1.7
281.08237	6.6
283.09814	1.6
284.06894	1.2
285.07788	0.7
291.06656	0.5
294.05374	1.2
299.09323	4.7
300.09286	0.5
309.07758	7.7
310.08191	0.7
311.05695	15.0
312.05975	1.6
327.08817	13.7
328.09167	1.2
329.06760	3.9
371.07693	0.6
389.08865	100.0
389.25607	1.6
390.09210	11.4
390.14261	0.6
393.22397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.2
58.29040	0.4
59.01267	16.8
61.98700	1.0
69.03311	0.5
69.47097	3.0
71.01257	1.8
73.02826	0.8
78.95802	0.5
85.02838	0.8
88.83547	0.4
89.02326	1.1
95.04882	0.8
96.48746	0.4
97.06490	3.3
101.02352	1.2
105.17317	0.4
108.31429	0.4
111.08057	0.8
113.02392	1.0
113.09624	1.1
113.82857	0.4
119.03355	0.7
123.08059	3.8
123.91756	0.4
124.08279	0.4
127.07593	0.5
139.11220	3.7
141.12772	0.7
157.12263	2.1
161.04457	0.5
167.10716	0.8
171.10165	0.5
185.11786	22.6
186.12149	0.9
213.11314	0.5
214.12131	2.8
215.12762	0.5
265.18326	0.5
288.65082	0.8
289.18158	1.5
291.19629	7.5
292.20169	0.8
298.34793	0.4
307.19205	1.1
309.20761	5.8
315.29715	0.5
325.20081	0.9
325.23883	13.5
326.24292	1.3
327.21820	74.3
328.22153	7.5
332.28134	0.5
369.22894	1.7
372.94797	0.4
387.23953	100.0
388.24292	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	387.2549
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
57.03322	1.7
59.01268	11.1
61.98719	1.9
70.78429	1.9
71.01248	1.2
73.02845	0.6
85.02864	0.8
93.07014	4.9
95.04927	2.0
111.08067	12.1
137.06058	2.6
161.04527	0.9
195.62576	0.8
218.01588	0.6
225.15033	1.0
231.17534	5.4
234.14108	0.7
247.20703	1.9
251.98529	0.6
257.19193	1.4
271.20624	1.1
273.22253	4.2
285.22345	4.7
292.59531	0.7
294.20154	0.9
295.20691	1.0
299.20285	0.7
301.25421	1.9
309.22418	2.8
321.58087	0.6
325.25455	22.2
326.25912	3.2
327.23355	1.7
343.26526	10.3
344.27008	1.2
345.24393	19.6
345.28571	1.2
346.24741	2.5
387.25494	100.0
388.25784	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	387.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
71.01269	24.1
71.29703	14.4
71.52153	24.4
74.13725	14.9
74.63280	14.1
82.68359	14.9
85.02858	28.0
89.02361	23.4
90.18192	13.1
95.45914	13.2
101.02346	28.9
141.01649	29.2
180.65132	15.3
200.36642	14.7
251.85585	14.7
328.87759	16.1
360.04565	14.8
370.50812	14.3
387.10812	14.3
387.25070	29.1
387.29346	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	387.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01049	9.5
59.01266	100.0
61.98691	14.8
68.85854	9.3
71.01250	17.0
71.28681	11.4
71.60881	14.2
85.02843	15.6
89.02370	16.1
102.50708	10.0
141.01593	15.5
177.56004	10.5
259.26089	12.1
265.83096	11.1
304.61862	11.2
387.25235	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	387.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03338	5.1
58.00486	1.8
59.01265	32.6
60.01595	0.3
60.99213	0.2
67.01794	0.2
68.99691	0.2
69.03346	0.5
69.67592	1.1
71.01270	49.2
71.04904	3.0
72.01617	0.6
72.99197	2.2
73.02837	10.4
75.00761	0.8
81.03361	1.3
83.01275	4.1
83.04923	0.3
84.02071	0.5
85.02843	17.0
85.99995	0.2
86.03191	0.4
87.00762	1.8
87.04446	0.1
89.02338	23.4
90.02689	0.4
93.03391	0.2
95.01287	3.1
95.04925	1.2
96.99232	0.2
97.02847	2.7
98.03656	0.4
99.00777	5.0
99.04435	0.4
99.08073	0.5
101.02346	29.1
102.02675	0.5
109.02882	0.5
109.06499	1.6
111.00777	0.5
111.04429	1.2
113.02356	20.1
113.05993	0.7
113.09632	0.4
114.02711	0.5
115.03941	0.2
117.03342	1.2
119.03416	8.8
121.02858	0.6
122.03664	0.6
123.04453	0.4
123.08092	1.2
125.02361	0.8
125.05996	0.4
125.09660	0.1
129.01874	0.7
131.02602	0.1
131.03419	1.0
134.03664	14.7
135.04045	0.5
135.08102	0.6
136.05255	0.5
137.02432	0.4
137.06029	0.6
137.09650	1.9
138.06798	22.5
139.00356	0.2
139.07115	0.8
143.03433	2.9
143.04686	0.2
143.04889	0.2
146.03645	0.4
147.04445	1.0
148.05228	0.6
149.04517	0.7
149.06030	1.4
149.09677	0.7
150.06836	0.4
151.07605	0.6
151.11189	0.2
152.08371	0.5
153.09154	55.5
154.09485	3.0
155.10765	0.4
158.03659	0.2
159.02948	4.5
159.04425	0.5
161.04503	24.3
162.04857	0.9
163.11273	0.7
165.09099	0.2
165.12787	1.0
169.72537	0.2
178.02657	0.9
179.05579	3.4
181.12370	0.2
187.02716	0.2
191.29778	0.1
192.11537	0.5
193.05032	7.5
194.05415	0.5
197.15396	0.2
205.03514	0.8
207.13887	4.9
208.14294	0.4
225.14958	100.0
226.15308	7.4
251.05562	0.4
267.06500	0.2
268.07382	0.4
269.08133	0.3
281.08447	0.3
282.09042	0.2
283.09915	0.4
284.10419	0.3
295.06274	0.3
299.12936	0.2
310.08475	0.2
325.11047	0.3
327.10013	0.3
338.32544	0.2
343.11877	3.1
343.18375	0.2
344.12119	0.2
369.09952	0.4
387.05865	0.3
387.11020	8.8
387.20346	15.0
388.11542	1.1
388.20709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1669
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01266	46.8
66.57516	0.6
70.76848	1.6
71.01275	9.6
79.35973	0.6
85.02838	1.8
89.02336	9.6
95.01299	1.2
97.64088	0.6
98.20436	0.7
101.02338	6.4
113.02374	3.5
119.03417	3.1
120.74857	0.6
163.11264	3.1
207.10243	9.8
269.14633	0.7
366.20358	0.6
387.16690	100.0
388.16974	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	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44460	0.6
58.00470	0.8
59.01266	62.3
61.59402	0.6
70.85330	1.5
71.01273	11.0
72.99205	0.7
85.02845	2.0
89.02341	13.7
95.01303	1.1
101.02348	8.7
113.02377	4.8
119.03422	5.4
137.02370	0.9
163.11234	12.4
179.05569	0.8
207.10278	2.7
225.11273	0.9
387.16693	100.0
388.17020	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	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.4
58.00483	1.3
59.01265	75.4
60.01607	1.0
61.98714	1.0
66.21906	0.3
69.34102	2.5
71.01269	15.1
72.99200	1.1
73.02830	0.6
83.01284	1.0
85.02850	3.6
89.02336	17.0
90.02696	0.4
95.01289	1.3
95.04922	0.3
95.16898	0.3
99.00788	0.3
101.02342	12.1
101.03014	0.6
109.06471	0.4
113.02352	6.2
113.03069	0.5
119.03419	5.5
131.03429	0.4
143.03484	0.3
147.08124	0.8
149.04446	0.3
163.11232	45.7
164.11568	3.2
179.05579	0.5
207.10236	1.5
209.11909	0.5
242.11794	0.3
275.77478	0.3
292.96198	0.3
369.15643	0.5
387.16681	100.0
388.17014	11.3
388.22046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19027	0.1
55.01773	1.9
55.06554	0.1
57.03339	5.7
58.00481	1.8
59.01264	30.3
60.01589	0.3
61.98702	0.1
67.01789	0.2
68.99707	0.2
69.03355	0.6
69.27532	0.9
69.27957	0.6
71.01270	52.8
71.04903	4.0
71.05306	0.2
72.01601	0.8
72.99202	2.6
73.02836	10.5
75.00758	1.1
81.03351	1.3
83.01276	4.8
83.04921	0.3
84.02062	0.3
85.02843	19.6
86.03170	0.4
87.00771	2.0
89.02337	19.1
90.02696	0.4
93.03357	6.5
94.03686	0.3
95.01285	3.6
95.04927	2.0
97.02847	3.7
98.03619	0.4
99.00780	4.9
99.04429	0.4
99.08035	0.8
101.02345	27.5
102.02703	0.5
103.03934	0.2
107.04952	0.2
109.02868	0.3
109.06503	2.4
110.06812	0.1
111.00768	0.2
111.04422	1.8
111.08047	0.2
113.02357	20.9
113.05942	0.6
113.09636	0.5
114.02702	0.6
115.03966	0.2
119.03418	6.7
121.02899	0.2
122.03656	0.6
123.04465	0.2
123.08086	1.7
124.05230	0.1
125.02370	0.9
125.05991	0.7
125.09680	0.1
129.01868	0.8
131.03421	1.0
134.03668	1.0
135.04482	0.1
135.08098	0.8
136.04291	0.1
136.05214	0.7
137.02374	14.2
137.05968	1.2
137.09651	2.2
138.02725	0.6
138.06798	29.6
139.00356	0.2
139.07222	1.3
143.03435	2.9
148.05205	0.1
149.02411	0.2
149.04504	0.4
149.05994	0.2
149.09685	0.8
150.06781	0.6
151.07608	0.7
152.08369	0.6
153.09152	73.1
154.09485	3.4
155.10693	0.7
159.02927	4.1
160.83475	0.1
161.04498	23.3
162.04805	0.7
163.11256	1.0
164.08420	0.3
165.12790	1.3
167.07109	0.3
167.10713	0.2
176.38046	0.1
179.05556	2.0
189.12894	0.2
192.11533	0.5
193.04999	0.4
205.03554	1.0
207.13893	6.6
208.14244	0.4
210.12549	0.2
225.14960	100.0
226.15302	7.2
249.06174	2.6
299.12802	0.2
327.09894	0.2
343.11667	0.2
379.51373	0.1
387.10510	1.5
387.20377	5.8
388.10434	0.2
388.20819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1459
Annotation	Trachelogenin
Peak:m/z	Relative Intensity
54.01442	0.3
59.01255	2.8
61.98698	0.5
65.80248	0.3
69.35402	3.1
71.01247	0.6
73.02835	17.7
74.60417	0.3
76.91995	0.3
85.02825	0.6
86.23893	0.3
89.02322	0.4
93.03323	0.7
95.36089	0.3
98.19836	0.6
107.04897	1.0
108.02080	1.7
119.04933	0.6
119.77519	0.3
121.02847	1.1
123.04441	2.1
134.03622	0.5
135.04453	32.1
136.01595	0.5
136.04755	1.2
137.02356	0.6
147.04456	2.3
149.02367	2.1
149.05989	1.4
150.03183	6.9
151.03822	0.4
162.03159	0.5
163.03915	0.5
164.04683	0.7
165.05527	3.4
166.02620	0.3
175.03964	15.6
176.04341	1.1
177.05550	1.1
185.11728	0.7
207.06624	14.8
208.07401	24.7
209.07771	1.1
210.05296	1.3
220.07387	0.5
222.05356	3.5
222.08836	1.6
223.09740	5.1
235.06084	0.4
236.06909	13.1
238.06215	0.4
240.06351	3.8
249.07765	0.7
250.08455	1.6
251.09286	100.0
252.09636	7.2
253.04749	0.3
254.05872	0.4
254.08032	4.4
255.06528	0.7
263.09351	1.8
266.05963	0.4
269.08286	0.6
270.09018	0.6
285.11377	2.8
295.06140	0.9
307.06155	0.6
311.09454	1.0
313.10669	0.3
325.23904	0.6
327.08823	0.8
327.12506	1.6
327.21863	4.1
328.09521	0.6
337.10806	0.6
339.08716	2.1
342.11145	0.6
343.11777	1.7
344.12527	0.7
354.11267	1.5
355.12036	0.6
357.13470	1.0
359.15018	2.7
369.13510	1.3
387.10965	0.7
387.14682	12.1
387.23886	5.8
388.14957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1093
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
56.63023	0.4
57.03315	0.6
59.01266	5.1
61.98703	1.6
65.00196	0.7
69.82339	0.4
71.01274	1.9
71.60635	0.5
71.61013	0.6
71.74911	0.5
73.02832	0.5
74.41462	0.4
82.67619	0.4
84.26743	0.4
85.02841	0.8
87.00751	0.4
89.02344	1.1
89.03846	0.5
91.01803	4.6
96.99220	5.2
101.02358	0.9
108.02105	1.1
108.39230	0.4
109.02853	5.0
111.00771	0.6
113.02378	0.9
115.14465	0.4
117.03368	1.8
121.02839	1.1
123.00867	0.7
123.04433	7.1
124.01578	0.7
124.04762	0.7
134.03661	27.2
135.04002	0.6
137.02345	1.2
139.03926	0.5
145.02890	3.2
146.03680	10.8
147.04454	4.7
148.01582	1.3
148.05182	1.8
149.06036	2.2
150.03174	0.9
153.05522	0.9
158.02454	0.8
158.03665	8.0
159.04457	16.8
160.01595	1.2
160.04967	0.8
161.02350	0.6
161.06047	4.4
163.03960	2.2
165.09038	0.5
173.06044	5.1
174.03177	1.1
175.03989	1.8
178.02631	2.6
179.03340	0.7
183.13870	1.8
187.03969	1.3
193.05025	9.4
194.05368	0.8
219.88339	0.4
239.07123	1.3
241.05090	1.8
249.05626	0.7
250.06279	1.0
253.05077	0.5
256.07516	1.4
265.08771	0.8
266.05902	4.9
267.06625	6.6
268.07327	2.6
269.08105	1.2
271.09775	1.5
277.05090	1.3
280.07385	1.3
281.08237	10.7
282.08923	4.3
283.09671	3.4
284.10657	2.6
294.05591	0.6
295.06183	12.5
296.06561	0.9
297.11420	0.8
309.07761	2.4
310.08536	11.0
311.08966	0.8
325.10913	7.1
326.11154	0.5
336.03967	0.5
343.11819	0.6
354.07593	2.0
369.09845	4.2
370.10385	0.6
387.10928	100.0
387.24152	1.5
388.11258	10.5
388.16260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1094
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
54.11277	0.3
54.28462	0.4
55.01755	0.3
59.01268	2.7
69.54778	1.1
69.55197	0.9
71.01270	4.2
73.02842	1.3
75.50181	0.3
83.01286	0.4
83.97301	0.3
84.33703	0.3
85.02860	1.8
89.02344	1.9
89.03865	2.5
91.01797	0.9
93.03362	0.4
93.81092	0.3
96.99210	0.7
101.02351	2.8
106.04155	0.8
107.56699	0.3
108.02080	0.4
109.02863	3.7
113.02325	1.5
117.03378	7.7
118.03696	0.4
119.03425	0.6
121.02853	3.2
122.03631	0.6
123.04404	1.8
129.03369	0.4
133.02879	0.9
134.03662	100.0
135.03969	4.3
136.05258	0.4
137.02368	2.5
139.03975	0.5
143.05006	0.5
145.02885	1.2
146.03677	2.1
147.04462	7.7
148.05267	3.3
149.06020	9.9
150.03203	0.7
150.06276	0.8
151.04013	0.3
158.03705	1.3
159.04462	3.8
160.05115	0.5
161.02443	0.4
161.04523	2.0
161.06001	1.8
162.03119	0.5
162.06796	0.6
163.03984	0.7
164.04654	0.3
173.06030	1.1
175.07712	0.3
178.02669	7.0
179.03113	0.5
193.05034	61.8
194.05350	3.5
225.14937	0.8
241.05087	0.4
266.05936	1.2
267.06653	1.4
268.07382	2.5
269.08109	1.9
269.22131	0.3
271.09668	0.6
281.08240	1.5
282.08984	0.9
283.09821	3.9
284.10620	3.2
285.10977	0.4
295.06174	1.9
299.12875	1.7
309.07886	0.7
310.08560	1.6
311.09262	0.3
325.10910	1.6
343.11920	27.8
344.12308	3.2
369.09845	1.5
387.10941	74.2
388.11230	9.7
395.73462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1095
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
65.00213	1.0
69.35731	4.0
69.36138	1.2
71.01285	0.5
73.13567	0.5
89.03836	0.7
91.01791	6.8
96.99210	7.8
108.02059	1.5
109.02875	7.2
117.03381	3.3
121.02846	1.3
123.04443	8.3
134.03664	37.7
135.04204	0.7
137.02359	1.2
145.02885	4.3
146.03677	14.4
147.04475	5.6
148.01585	2.3
148.05188	1.8
149.06027	2.8
153.05531	0.9
158.03682	11.1
159.04465	22.0
160.01598	1.9
160.05110	0.9
161.06026	6.5
163.04018	2.8
173.06026	5.3
174.03168	1.3
175.03978	1.7
178.02649	3.0
187.03926	1.1
193.05045	10.0
217.81110	0.5
221.05852	0.6
239.07147	1.5
241.05023	2.3
249.05556	1.3
250.06384	2.3
253.04874	0.6
256.07578	0.8
265.08667	0.9
266.05963	8.3
267.06656	7.0
268.07352	3.7
269.08145	1.5
271.09796	1.5
277.05136	1.1
280.07315	1.0
281.08234	13.8
282.08896	5.3
283.09674	4.1
284.10562	3.9
293.04706	1.0
294.05325	1.5
295.06195	15.5
296.06470	1.1
309.07758	2.7
310.08524	12.4
311.08826	0.6
325.10843	7.6
326.11337	0.6
339.05148	0.9
343.12000	1.2
354.07547	2.9
369.09833	4.1
387.10934	100.0
388.11313	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	385.224
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.03314	1.6
59.01000	0.9
59.01267	10.1
61.98696	1.3
69.71796	5.2
71.01256	2.7
79.33295	0.8
79.35764	0.7
84.57554	0.7
85.02845	9.7
85.79060	0.6
86.31375	0.7
89.02312	2.5
91.03898	2.0
101.02341	1.2
115.73611	0.7
119.11193	0.6
121.02866	1.3
122.03682	0.9
124.22884	0.6
133.48782	0.6
136.05240	1.0
136.71504	0.7
147.02937	1.6
148.05264	0.6
149.06032	0.7
167.14349	3.1
176.04675	0.7
186.32021	0.8
189.63795	0.7
191.01906	3.4
193.07202	2.3
193.15926	1.4
207.17529	1.2
209.03104	2.0
223.20609	1.8
231.17644	1.3
249.18611	8.3
256.03885	1.3
267.19702	100.0
268.20023	10.1
275.16568	11.8
288.07745	0.8
293.17664	66.0
294.17862	5.1
311.18729	11.9
312.10138	1.1
312.19064	1.5
325.11441	1.6
327.12366	1.8
367.21277	7.5
385.22403	71.9
386.22757	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	387.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58449	0.6
55.01742	0.9
57.03314	2.1
59.01266	19.7
61.98703	1.1
63.57219	0.6
71.01273	7.8
71.04894	0.9
72.99200	0.8
73.02805	2.4
75.00746	0.9
81.44485	0.8
83.01260	0.8
83.04884	1.2
85.02860	3.5
87.00764	1.0
89.02304	3.0
97.02838	0.8
99.00748	1.0
101.02357	4.7
108.02046	0.9
109.02788	1.7
113.02327	2.9
119.03357	1.1
123.04417	1.1
123.08076	1.1
134.03687	4.7
134.26234	0.7
135.08015	0.7
137.02280	0.8
145.02786	0.9
149.05965	1.1
153.09186	1.0
158.03618	0.9
159.04478	1.0
161.04491	2.3
161.06026	2.3
163.11214	2.2
173.02367	0.7
174.03069	0.9
181.12292	8.5
183.08066	2.0
184.05225	1.5
185.06035	1.3
193.05013	1.2
196.05173	1.5
197.06067	2.4
199.07588	1.3
201.09140	0.9
207.08147	8.8
209.06102	2.3
210.06921	1.0
211.03935	2.0
211.07619	4.2
212.04703	2.3
213.05550	2.1
214.06358	6.8
215.03435	4.0
215.06944	1.4
219.04483	1.2
220.05276	3.2
221.05994	1.3
223.07567	2.2
224.04796	2.5
225.05550	2.4
225.09174	10.7
225.11324	15.8
225.14790	1.3
226.09486	0.8
226.11562	1.1
227.03612	0.9
227.07135	2.9
227.16460	1.0
228.07922	32.8
229.08556	5.2
230.05850	4.6
233.06036	2.0
234.06779	1.9
235.03999	0.9
235.07651	15.8
236.04750	2.8
236.08194	3.1
237.05649	4.7
238.06381	3.5
239.07147	5.5
240.04350	3.1
241.05003	2.0
242.05812	2.4
243.03024	1.3
243.06581	2.5
243.10378	1.2
248.04834	1.1
251.07187	7.1
252.07915	10.9
253.08725	48.1
254.09038	4.2
255.06694	1.1
256.07382	2.5
257.08215	3.2
260.06931	7.8
262.06317	3.7
263.07162	12.5
264.07520	0.8
266.05710	0.7
271.09811	100.0
272.10126	10.1
279.06931	1.3
280.07510	1.2
281.08261	82.5
282.08612	8.4
283.06161	2.1
283.09180	0.8
296.61801	0.7
298.08441	1.5
299.09311	95.9
300.09659	10.7
313.10965	1.2
325.07227	1.5
343.12015	3.8
369.05923	1.4
369.22900	1.9
387.06854	11.2
387.11154	4.7
387.16125	1.2
387.19342	3.4
387.24265	11.7
388.07541	1.0
388.24307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99002	0.2
51.40890	0.2
52.30953	0.2
55.01772	2.3
56.91413	0.2
57.03341	3.2
57.38655	0.2
58.00483	2.8
59.01266	52.7
60.01609	0.6
60.99195	0.2
68.99702	0.3
69.03338	0.9
70.19944	0.2
70.65963	0.7
71.01271	70.9
71.04913	0.3
72.01589	1.1
72.99200	4.5
73.02837	12.4
73.35325	0.2
75.00771	1.3
76.04858	0.2
83.00812	0.4
83.01277	5.2
83.04915	1.0
84.02072	0.6
85.02847	24.6
86.03186	0.6
87.00780	3.2
87.04401	0.2
89.02340	35.9
90.02671	0.8
95.01286	4.1
95.04912	1.7
97.02852	6.4
97.06527	0.4
99.00787	5.7
99.04446	0.3
101.02348	36.7
102.02691	0.7
102.54284	0.2
105.01850	0.4
105.07016	1.2
107.04935	0.8
108.05727	2.9
109.02859	0.9
109.06509	1.4
111.00796	0.4
111.04442	1.4
111.08061	0.7
113.02360	27.2
113.05993	3.9
114.02705	0.8
115.00282	0.3
119.03420	12.2
119.04877	0.6
121.02882	0.4
121.06516	0.9
122.03665	1.7
123.04453	0.3
123.08087	4.7
124.05273	0.4
125.02355	1.4
125.06001	2.8
127.00288	0.8
129.01845	1.1
131.03407	1.2
133.01334	0.7
134.03674	0.3
135.08098	0.8
136.05237	3.4
137.06013	1.6
137.14171	0.2
138.06801	20.6
139.04022	0.2
139.07597	10.9
140.07889	0.8
143.03439	3.3
147.02875	0.3
147.08052	0.7
149.02367	0.3
149.04518	0.8
149.06006	1.1
151.07594	23.8
152.04807	2.8
152.08374	46.0
153.09155	100.0
154.09494	4.8
159.02933	4.9
161.04504	21.1
161.09654	0.9
162.03273	0.3
162.04871	0.7
163.11237	3.0
164.04700	0.4
165.05421	0.4
165.09180	2.4
167.07086	2.3
179.05585	3.0
179.07065	0.3
179.10710	0.4
182.35556	0.2
187.11263	0.8
189.09184	1.3
190.02666	0.9
190.09976	1.3
191.01974	0.6
205.03502	0.9
205.05089	0.8
205.12331	35.2
206.12666	2.4
209.03064	0.5
223.06123	0.6
223.13408	19.4
224.13757	1.4
247.05881	0.2
260.06903	0.2
325.09290	0.2
343.53992	0.2
352.72586	0.2
372.10114	0.2
385.07523	0.4
385.18781	11.4
386.19067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
58.63929	0.3
59.01264	100.0
60.01604	1.3
66.94395	0.3
69.27248	1.4
69.27673	2.1
71.01273	1.1
75.00760	0.7
80.04107	0.4
85.02840	1.8
101.02344	0.5
109.02898	0.5
113.02368	1.0
115.13857	0.3
119.04986	0.4
134.03726	0.4
135.04430	1.9
147.04457	1.5
153.05627	0.3
159.04463	0.5
164.04791	0.6
184.88216	0.3
191.01953	0.4
192.04277	0.6
193.05038	0.5
210.45760	0.4
243.68365	0.4
249.06248	1.2
267.06665	0.6
268.07529	1.2
283.09927	1.4
295.46518	0.4
297.11414	0.9
385.11676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01592	0.7
61.98716	0.6
66.10226	0.3
71.01280	1.2
73.02842	0.8
79.16758	0.3
85.02851	1.4
89.02351	0.6
98.19740	0.7
101.02362	1.1
113.02444	0.3
187.79585	0.3
191.01965	0.3
228.55942	0.3
253.14563	0.8
278.24088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1878
Annotation	Icariside B2
Peak:m/z	Relative Intensity
55.01774	1.7
57.03333	2.9
58.00482	5.3
59.01265	97.2
60.01609	1.5
63.07627	0.2
69.03371	0.4
71.01270	86.1
71.04899	0.3
71.60286	0.4
72.01608	1.5
72.99202	6.6
73.02837	4.4
75.00749	1.2
79.76700	0.2
81.03349	0.5
83.01279	3.4
84.02058	0.6
85.02847	18.9
86.03179	0.3
87.00775	4.6
89.02339	100.0
90.02673	1.7
95.01283	4.5
97.02859	1.0
97.06430	0.3
98.48060	0.2
99.00769	2.0
99.04453	0.3
101.02348	48.6
102.02679	1.0
107.04955	0.6
109.02865	0.8
113.02359	36.1
114.02687	0.8
115.03929	0.3
119.03420	47.1
120.03764	1.2
123.08076	2.7
125.02370	1.4
125.09628	0.9
129.01852	0.8
131.03426	4.9
133.01370	0.4
135.04492	0.5
135.08107	1.5
139.00299	0.5
143.03442	9.4
144.03781	0.6
147.02887	0.3
147.08092	2.2
149.02417	0.4
149.04503	3.8
149.05742	0.5
153.01839	0.5
153.09160	13.5
154.09474	0.7
154.63991	0.3
159.02921	1.1
161.04503	11.2
161.09651	0.6
162.04787	0.5
163.11256	0.6
164.04686	0.3
165.09146	0.9
171.08122	0.5
174.01628	0.8
176.75943	0.2
179.05579	20.2
179.10736	0.3
180.05882	0.4
185.04449	0.4
187.11255	4.5
189.09178	0.7
190.06177	0.3
190.09885	1.2
191.01938	1.3
203.10701	0.5
204.11382	0.4
205.05167	0.4
205.12323	19.3
206.12715	1.3
209.03026	0.8
219.10155	0.3
223.06108	0.6
223.09647	0.4
223.13411	3.1
233.11699	0.8
241.14316	0.4
277.14459	0.4
295.08133	0.4
325.09073	0.4
385.11090	0.6
385.18817	7.4
386.19281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.6
57.03338	6.7
59.01265	9.9
71.01260	6.5
71.35501	2.0
72.99200	1.5
73.02835	3.0
75.00762	3.2
83.01286	4.3
84.02065	2.0
85.02843	57.0
86.03155	1.2
87.00789	5.7
89.02282	1.0
91.90727	1.0
101.02331	3.1
103.00306	1.0
113.99494	2.4
115.00296	9.8
121.02870	2.7
129.01857	3.9
134.03697	2.0
134.22937	0.9
135.04430	1.6
135.89954	1.1
137.02464	1.0
138.60788	1.0
147.02884	4.9
149.02376	14.6
152.01080	2.5
163.03941	3.3
164.04742	11.0
174.01657	63.5
175.00359	1.4
175.02315	6.3
176.04761	3.3
178.06300	1.3
179.03484	2.0
179.07077	3.1
190.02686	3.0
191.01982	11.6
191.07173	2.4
193.01401	7.7
193.05017	2.0
194.05927	1.3
198.49760	1.1
205.05067	4.2
207.06667	1.1
208.03700	12.7
209.03026	3.1
209.08237	3.5
223.04131	2.3
223.06140	29.1
224.06683	2.1
235.06125	3.6
239.09230	2.7
267.08820	3.4
295.08340	7.4
301.63757	1.0
325.09259	11.8
385.11484	100.0
386.11813	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	385.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37842	0.3
57.03340	0.9
59.01259	3.8
61.98711	0.8
62.88385	0.3
65.00197	0.5
69.88788	0.7
69.89186	1.1
71.01280	0.7
85.02844	2.4
90.03879	0.4
96.56197	0.3
98.19851	0.4
114.30217	0.4
117.90674	0.3
119.01263	0.6
121.02846	0.5
137.02310	0.5
147.00816	4.8
147.04430	0.4
148.01251	0.4
148.05234	3.0
149.02350	0.6
149.06003	1.5
151.03929	0.9
164.01102	0.8
175.00319	0.4
179.03467	20.1
180.03773	1.2
184.67259	0.3
191.01985	1.0
193.07130	0.8
203.71715	0.4
206.02103	0.4
207.02975	85.5
208.03316	4.8
209.03021	0.5
221.04550	1.1
222.05339	72.1
223.05693	5.1
237.07701	100.0
238.08057	6.5
246.23067	0.3
311.22299	0.4
323.05804	0.4
325.11572	0.8
385.12521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.3
57.03337	13.8
59.01268	8.7
68.63694	0.7
71.01265	8.3
71.16014	1.8
71.91551	0.8
72.99210	2.4
73.02884	0.9
75.00775	1.6
75.47752	0.8
76.20737	0.7
83.01275	2.2
84.02061	2.5
85.02840	100.0
86.03175	2.5
87.00758	1.6
89.02333	2.3
103.00237	1.7
129.01862	8.0
133.01355	2.9
134.03665	5.0
147.02930	7.0
149.02371	1.6
164.04730	2.1
173.00952	1.5
191.01942	37.3
192.02318	1.3
193.04997	1.2
209.03017	61.4
210.03409	1.9
219.01744	0.9
223.06081	3.1
242.09631	0.9
315.05826	0.9
385.11450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59081	0.4
55.01775	3.3
57.03340	14.7
58.00467	0.6
59.01267	8.6
68.99696	0.7
70.92655	0.8
70.93033	0.9
71.01270	4.6
72.99200	1.9
73.02827	0.5
75.00773	2.2
79.64697	0.4
83.01277	2.1
84.02044	2.7
85.02843	100.0
86.03165	2.6
87.00772	1.0
89.02340	1.0
99.00774	0.5
101.02341	0.8
103.00270	1.2
106.39362	0.4
112.98981	0.4
115.00297	0.8
129.01862	7.9
133.01399	1.0
134.03668	4.9
147.02930	8.6
149.05920	0.5
173.00856	1.1
191.01949	27.1
192.02296	1.1
193.05031	1.7
193.07030	0.5
209.03015	18.3
210.03346	0.8
385.07623	0.9
393.54147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.6
57.03342	13.8
59.01262	7.5
69.88525	0.7
71.01285	3.7
71.17538	1.8
71.61698	0.7
72.99201	2.2
75.00770	1.8
83.01287	1.3
83.58116	0.7
84.02051	2.5
85.02846	100.0
86.03190	2.3
87.00769	0.7
89.02335	0.9
103.00298	2.2
129.01865	11.0
134.03647	4.1
147.02942	13.8
172.53514	0.8
173.00891	2.6
180.47330	0.8
191.01955	42.2
192.02309	2.4
193.05046	2.1
193.07120	0.9
209.03021	23.1
209.04915	1.5
250.39653	0.8
367.07101	0.9
385.07913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03058	0.6
57.03336	11.3
59.01263	8.3
68.99703	1.0
71.01270	4.3
71.33089	0.8
72.99196	2.3
73.02829	0.6
75.00761	2.2
83.01273	2.7
84.02056	3.0
85.02841	100.0
86.03164	2.1
87.00770	1.5
89.02328	1.7
91.47414	0.4
91.68087	0.4
93.03341	0.4
95.01313	0.4
99.00784	0.6
101.02341	1.6
103.00280	1.6
111.00791	2.0
113.02358	1.0
115.00273	1.1
121.02856	1.4
129.01859	7.2
133.01382	0.9
134.03667	3.6
135.04405	0.6
141.01851	0.9
147.02933	12.3
147.04092	0.7
149.02370	11.1
149.06018	0.6
150.02783	0.4
152.01131	0.9
161.14102	0.4
163.03958	1.1
164.04739	12.3
169.05008	0.9
173.00850	0.7
174.01653	1.6
179.07082	4.2
181.08565	0.4
190.02597	0.7
191.01945	31.1
192.02242	1.0
193.01460	2.6
193.03175	0.5
193.05029	1.7
205.03401	0.6
205.05029	1.4
208.00201	0.4
208.03738	6.1
209.03000	11.3
223.06178	20.8
224.06473	1.6
243.16109	0.5
261.07791	0.5
361.46295	0.4
385.07275	0.8
385.11734	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.9
57.03337	14.1
59.00966	0.4
59.01263	7.9
68.99714	0.8
70.14915	0.9
71.01273	3.5
72.99202	1.6
75.00772	1.5
78.71207	0.3
83.01268	1.8
84.01645	0.4
84.02063	2.6
85.02843	100.0
86.03172	2.3
87.00774	1.7
89.02328	0.7
98.20441	0.6
99.00767	0.7
100.02268	0.4
101.02346	1.4
103.00277	2.2
111.00790	0.7
111.98087	0.3
115.00248	0.9
129.01860	10.3
130.02287	0.4
133.01321	0.5
134.03693	3.0
145.30685	0.3
147.02933	12.4
151.03922	0.4
163.02448	0.4
169.78542	0.4
173.00909	2.4
175.22104	0.4
191.01945	34.8
192.02309	1.4
193.05054	2.8
193.07159	2.3
200.48567	0.3
209.03015	12.6
210.03450	0.4
223.04643	1.3
226.07521	0.4
325.11472	1.7
345.34793	0.4
367.06677	0.5
385.07953	2.0
385.12097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.0
57.03337	16.1
58.00485	0.6
59.01263	8.6
68.99699	0.7
69.51661	2.6
71.01267	4.3
72.99181	2.1
73.02846	0.6
75.00761	2.5
76.71023	0.4
77.83024	0.4
83.01285	2.3
84.02058	2.8
85.02842	100.0
86.03177	2.4
87.00764	1.7
89.02337	1.1
98.20471	0.5
101.02372	1.3
103.00268	2.0
111.00780	0.5
115.00272	1.1
117.03363	0.7
129.01857	4.8
130.75504	0.4
133.01344	0.5
134.03661	5.7
147.02943	2.3
149.02348	1.0
149.06104	0.5
150.18842	0.4
164.04697	0.7
173.00879	0.7
175.03914	0.5
178.02718	0.5
191.01945	10.4
193.05034	1.9
209.03006	5.9
313.25504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1141
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01269	7.5
61.60260	0.7
61.98713	4.4
68.99696	1.3
70.13624	3.5
71.01271	1.6
83.01266	1.0
86.54396	0.6
89.02374	1.5
95.01286	1.2
98.19842	1.0
101.02330	1.5
107.04929	0.9
111.00853	0.6
113.02348	1.2
121.02887	1.1
123.00787	2.7
126.42244	0.8
133.06503	1.4
137.02295	0.9
143.03264	0.8
147.08122	1.6
147.36671	0.7
147.77188	0.7
148.01607	1.4
149.02361	5.4
149.06010	1.5
150.03145	1.4
151.07538	1.1
151.13724	0.7
162.06783	1.5
163.00316	3.5
163.11209	4.7
164.01077	1.4
164.11559	1.2
173.02196	0.8
175.00356	5.5
175.03957	1.3
176.01074	7.3
177.01897	8.7
181.03143	1.7
189.01924	1.6
189.05554	1.5
190.02675	0.8
190.06285	3.2
191.07109	9.7
203.03520	1.5
206.15466	1.8
214.02661	1.2
217.05060	0.9
218.05830	0.9
219.06677	1.4
219.97760	1.8
225.05536	1.2
229.05077	1.7
232.03868	1.9
240.14110	0.7
241.05273	0.9
253.05069	1.2
269.04565	1.6
279.03000	1.9
281.04669	1.5
281.07935	0.8
295.09680	1.0
297.04080	2.6
300.02756	2.7
300.10196	1.0
311.09167	1.0
313.03482	3.5
314.03232	0.8
323.09692	1.3
324.09976	1.4
325.03564	27.2
326.03964	2.6
341.10843	1.0
353.06772	2.0
367.08371	1.4
368.09064	24.7
369.09378	1.9
382.27606	3.2
383.11426	100.0
383.27832	2.3
384.11780	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	383.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.9
59.01262	53.0
61.98715	3.3
69.03333	6.9
69.67950	16.9
71.01270	41.3
72.99204	8.7
73.02834	9.1
75.00755	7.0
80.44048	2.8
83.01295	8.4
85.02828	18.0
86.78457	3.8
87.00773	14.5
87.98006	3.1
89.02338	8.1
93.03369	4.6
95.01284	3.5
98.02409	5.2
99.00782	53.2
101.02356	15.4
111.00802	6.6
113.02375	10.8
115.03930	12.6
119.04945	7.6
121.02861	11.0
127.00330	3.2
129.01863	3.6
131.04967	3.5
135.04475	4.8
137.02386	3.9
138.03140	5.9
139.00276	5.0
145.06470	2.9
147.04457	16.1
149.02386	17.1
149.06020	3.3
150.03326	2.9
151.03896	3.9
153.05504	4.2
159.02885	9.8
159.04428	8.1
161.02399	10.1
161.04483	7.9
161.05936	4.7
162.03201	12.1
162.04868	2.8
163.03946	28.3
164.04720	15.7
164.93433	3.1
165.05461	8.5
171.04507	3.2
173.02394	15.9
174.03134	7.4
175.00470	3.5
175.03954	58.7
175.05316	5.4
176.04782	7.0
177.01913	55.2
177.04073	6.6
177.05473	30.3
177.15211	2.7
178.02634	10.6
178.06314	19.7
179.03452	8.2
179.07076	11.0
187.04005	23.2
188.04784	33.7
189.05481	28.0
190.02652	8.8
190.06339	21.5
191.03448	25.8
191.07005	6.2
192.04257	72.0
192.07893	9.2
193.01477	4.2
193.05029	32.2
193.08713	8.3
194.05798	11.9
199.03996	12.1
201.05484	2.8
202.02727	6.0
202.06288	4.4
203.03479	100.0
203.07115	43.6
204.04131	9.9
204.07513	3.1
205.01437	16.8
205.05072	32.6
205.08617	8.9
206.05766	5.6
207.03064	6.7
207.06618	95.1
208.03830	4.6
208.07254	13.2
209.08171	6.3
214.06384	10.4
215.07065	3.6
216.04311	5.0
217.05070	49.5
217.08578	3.8
218.05820	46.0
219.02962	29.1
219.06519	9.1
219.10265	6.2
220.03717	26.8
220.07462	13.1
221.04596	7.6
221.08192	7.7
223.06134	8.5
223.09764	4.5
224.03291	11.3
225.07857	3.6
229.05183	7.2
229.08760	5.3
231.02986	9.4
232.07391	31.6
233.01021	4.3
233.04579	5.9
233.08170	22.5
234.05347	28.7
235.02580	4.1
235.06152	38.1
235.09773	10.2
237.07686	12.5
244.07346	4.2
245.04652	5.4
246.05280	7.1
247.09778	91.6
248.03362	8.1
248.10071	7.1
249.04024	11.9
249.07729	74.4
249.13338	8.2
250.04716	4.8
250.08043	6.5
250.13791	8.8
251.09294	41.5
251.13998	17.9
253.07323	5.1
259.06259	3.1
259.09875	4.2
261.07721	50.8
263.05634	15.5
265.07233	39.0
277.07343	8.0
279.08801	41.3
280.09457	3.4
281.06696	46.7
291.08670	7.0
295.08432	4.6
297.07703	4.2
303.08890	5.9
321.09830	4.3
323.07834	45.9
337.07465	4.2
339.10922	9.5
375.76959	3.7
383.10077	33.1
383.17877	6.8
399.14001	3.4
401.22833	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	383.0781
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
53.75375	0.6
55.36909	0.7
59.01057	0.6
59.01268	6.9
61.98709	4.2
63.68013	0.6
68.99714	1.3
69.49468	1.6
69.49874	3.8
71.01267	1.4
85.02834	0.8
87.00756	1.0
89.02354	0.9
94.16003	0.6
98.20553	1.4
101.02388	0.9
113.02411	1.1
121.02872	100.0
122.03191	4.6
125.12061	0.6
145.02859	1.6
147.04475	2.4
149.02362	1.7
161.04547	1.5
163.04007	0.8
171.04761	0.6
173.02463	0.9
180.05768	1.6
181.06544	4.3
191.03490	9.4
207.04425	0.7
215.91908	0.7
219.97807	1.3
223.07660	0.8
225.05566	7.1
251.07214	3.8
295.06183	11.1
296.06677	1.0
311.09311	14.9
312.09601	0.9
313.07245	18.3
314.07639	1.0
323.09863	1.5
339.08780	16.5
340.09244	1.7
341.11023	1.0
383.07816	32.5
383.28360	1.0
384.08289	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	383.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
55.06969	1.8
59.01264	20.0
61.01688	1.8
63.86080	1.8
64.83861	2.1
69.03353	4.6
69.11775	1.8
69.69033	4.1
69.69451	9.6
69.73669	2.1
71.01272	20.9
73.02819	2.5
75.00785	2.7
83.01302	4.7
85.02868	6.0
85.45735	2.3
87.00756	2.9
87.47591	2.0
89.02342	3.2
95.01239	1.7
99.00781	41.5
101.02349	9.0
102.02682	1.9
103.69263	1.7
111.00827	3.9
113.02358	6.6
115.03907	2.6
119.04991	3.6
121.02878	6.4
123.00826	4.5
131.04939	3.0
133.02898	3.2
133.61134	2.1
135.04440	3.8
137.02351	3.0
138.03160	3.8
139.00304	4.7
143.04973	2.1
145.02933	2.3
147.04440	11.1
149.02390	10.4
151.03935	5.6
153.05536	4.6
157.07785	1.8
159.03052	3.2
159.04498	7.5
161.02394	8.8
161.04410	2.8
161.06023	5.3
162.03143	8.4
163.00301	5.0
163.03943	17.2
164.04733	14.2
165.05560	5.1
171.04503	2.7
173.02385	17.0
174.03137	6.1
175.03973	44.9
176.01035	2.9
176.04633	6.8
177.01915	50.2
177.04239	3.1
177.05521	23.8
178.02739	14.7
178.06371	16.4
179.03462	11.5
179.07077	7.9
185.04518	2.0
187.03993	20.4
188.04765	25.6
189.01880	3.0
189.05510	24.7
190.02711	9.3
190.06322	19.3
191.03484	20.0
191.07097	5.4
192.04245	55.8
192.07870	7.8
193.05028	23.6
193.08638	10.9
194.05820	4.7
199.03926	9.8
200.04620	2.9
201.01912	4.2
201.05502	3.2
202.02663	3.0
202.06383	3.4
203.03491	72.8
203.07082	28.2
204.04179	7.8
205.01454	11.4
205.05045	23.8
205.08618	9.1
206.05809	6.8
207.03087	5.5
207.06624	100.0
208.03685	3.3
208.07275	10.6
209.08127	5.3
214.06326	6.5
216.04300	4.9
217.05045	42.4
218.05844	40.2
219.03038	21.0
219.06511	7.9
220.03761	19.8
220.07318	10.1
221.04579	5.3
221.08192	7.7
223.06091	5.6
223.09758	6.7
224.03285	8.1
225.07756	3.4
229.05057	3.7
231.02954	8.3
231.06622	5.6
232.03754	2.5
232.07434	33.0
233.04620	4.4
233.08197	23.3
234.05383	23.7
235.02594	3.0
235.06142	41.3
235.09694	11.7
236.06757	3.5
237.07715	7.5
238.04895	2.4
244.07433	3.3
245.04408	2.5
246.05333	8.7
247.02731	2.1
247.05969	3.8
247.09804	92.0
248.03253	4.7
248.07611	1.9
248.10123	8.9
249.04001	8.2
249.07729	90.9
249.13385	5.7
250.04831	4.9
250.08131	6.9
250.13835	6.1
251.05383	2.8
251.09294	54.5
251.14006	8.0
252.09647	2.6
253.07188	3.1
259.06155	1.9
259.09808	3.4
261.07739	48.2
262.08121	6.5
263.05768	12.6
264.06287	2.1
265.07233	46.0
266.07864	2.1
277.07205	5.7
279.08838	50.3
280.09280	5.4
281.06747	53.9
291.08725	8.5
295.08298	9.8
295.11365	2.1
303.08755	5.2
305.06964	2.3
309.06274	2.4
321.09854	6.6
323.07788	53.7
324.08170	6.4
339.10938	10.1
383.09967	45.4
383.17865	2.7
384.10025	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	382.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81125	0.3
59.01258	1.9
61.98717	100.0
69.48383	1.0
69.48811	1.7
85.02863	0.3
89.02338	0.5
98.20592	0.6
101.02363	0.4
112.00285	0.4
204.04893	1.4
218.00607	0.4
247.05469	0.6
272.21448	0.3
272.43527	0.4
298.04980	1.1
309.97086	0.4
313.07498	0.3
319.07718	1.7
320.08331	0.3
383.11569	1.3
390.04346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01608	1.2
61.98720	0.4
64.39579	0.3
69.34094	3.0
71.01286	0.4
85.63802	0.3
86.02323	0.4
98.19837	0.7
101.02350	0.4
113.02400	0.3
121.77761	0.3
216.55232	0.3
227.09483	0.3
231.19508	0.3
243.63013	0.3
305.61572	0.3
322.27591	0.8
323.09909	0.4
323.96384	0.3
325.18542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1927
Annotation	Viguilenin
Peak:m/z	Relative Intensity
55.01762	0.5
57.03328	0.6
58.00475	1.0
59.01266	6.3
61.38140	0.2
69.03336	1.3
69.36298	2.5
71.01271	7.0
72.99203	0.6
73.02845	3.1
73.37080	0.2
75.00762	0.5
81.03319	0.2
83.01276	1.4
83.04935	0.4
84.16624	0.2
85.02845	3.5
87.00771	0.5
87.04448	0.3
88.36397	0.2
89.02322	1.7
95.01286	0.5
95.04914	0.3
96.19823	0.2
97.02899	0.3
99.00775	1.3
101.02351	6.7
101.06007	1.2
102.38924	0.2
111.00784	0.5
113.02344	2.9
113.05986	0.8
119.08624	0.3
125.02386	0.5
127.00289	0.5
129.01889	0.3
131.03416	1.0
135.08124	0.3
137.09657	2.1
143.03410	0.6
149.04526	0.4
150.27736	0.3
159.02928	0.6
161.04509	2.8
191.14397	0.7
205.03488	0.3
217.16029	0.6
233.19131	0.6
243.17612	0.4
245.19226	1.4
249.13472	17.6
250.13812	0.7
255.17601	0.5
257.15656	0.5
257.19098	0.5
259.16907	0.4
260.49472	0.2
261.18771	0.3
263.20197	0.7
273.18710	1.0
275.20303	1.0
291.19821	0.4
293.21182	0.3
309.20679	0.4
310.54660	0.3
319.19284	0.9
335.18909	0.6
337.20276	29.8
338.20609	3.0
381.19260	100.0
382.19608	10.2
382.24673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94108	0.6
55.08304	0.6
56.45889	0.5
59.01266	100.0
60.01640	0.9
61.98717	0.8
71.01271	3.8
71.59631	0.8
73.02862	1.0
75.00764	0.8
85.02861	2.0
87.00794	1.4
89.02341	1.1
95.63940	0.5
96.95931	0.6
101.02340	2.9
104.20789	0.6
110.92739	0.6
113.02338	1.2
119.03403	1.1
161.04483	1.3
177.01956	0.7
213.10327	0.6
221.22116	0.7
279.14655	1.0
302.20413	0.6
321.15604	1.4
381.13156	0.6
381.17828	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	381.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.5
57.03341	2.4
58.00483	0.8
59.01265	25.5
60.01587	0.3
68.99694	0.2
69.03344	0.6
70.06702	0.8
71.01273	27.3
72.01613	0.6
72.99200	1.5
73.02838	12.2
75.00774	0.7
76.01691	0.2
78.99700	0.2
81.03348	0.2
83.01279	7.2
84.02070	0.2
85.02846	17.4
85.06487	0.5
85.58651	0.2
85.99999	0.9
86.03185	0.4
87.00769	1.6
87.08038	0.6
89.02341	4.3
95.01295	1.9
96.95895	0.2
97.02855	0.9
98.20375	0.2
99.00786	5.4
99.04418	0.4
101.02349	34.2
101.06005	0.8
102.02683	0.6
111.00830	1.1
113.02360	12.5
114.02731	0.2
119.03428	0.4
125.02386	1.1
129.01836	1.0
131.03397	1.1
136.71739	0.2
141.01857	0.2
143.03423	1.6
149.04507	0.7
157.08627	0.4
159.02940	2.8
161.04510	13.5
162.04828	0.6
189.07692	0.2
191.05655	0.1
205.03508	0.9
235.06316	0.3
249.13477	100.0
250.13803	6.3
279.14542	0.3
293.12524	1.3
323.07605	0.3
381.17773	14.2
382.18054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62786	0.2
59.01264	100.0
60.01601	1.1
62.20371	0.2
63.21236	0.2
69.30259	2.0
71.01272	0.4
75.00793	0.2
89.90796	0.2
101.02331	0.3
125.48921	0.2
132.42998	0.2
207.51285	0.2
228.44733	0.2
345.15652	0.3
381.15848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.5
57.03341	2.4
58.00483	0.8
59.01265	25.5
60.01587	0.3
68.99694	0.2
69.03344	0.6
70.06702	0.8
71.01273	27.3
72.01613	0.6
72.99200	1.5
73.02838	12.2
75.00774	0.7
76.01691	0.2
78.99700	0.2
81.03348	0.2
83.01279	7.2
84.02070	0.2
85.02846	17.4
85.06487	0.5
85.58651	0.2
85.99999	0.9
86.03185	0.4
87.00769	1.6
87.08038	0.6
89.02341	4.3
95.01295	1.9
96.95895	0.2
97.02855	0.9
98.20375	0.2
99.00786	5.4
99.04418	0.4
101.02349	34.2
101.06005	0.8
102.02683	0.6
111.00830	1.1
113.02360	12.5
114.02731	0.2
119.03428	0.4
125.02386	1.1
129.01836	1.0
131.03397	1.1
136.71739	0.2
141.01857	0.2
143.03423	1.6
149.04507	0.7
157.08627	0.4
159.02940	2.8
161.04510	13.5
162.04828	0.6
189.07692	0.2
191.05655	0.1
205.03508	0.9
235.06316	0.3
249.13477	100.0
250.13803	6.3
279.14542	0.3
293.12524	1.3
323.07605	0.3
381.17773	14.2
382.18054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.157
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01266	22.3
64.86516	1.2
69.83916	3.9
69.84319	3.0
71.01266	44.3
71.04909	7.7
72.99205	1.3
73.02841	1.5
79.14594	1.3
83.01266	2.0
85.02859	4.1
87.00771	1.3
88.03931	6.3
89.02343	9.1
98.19884	1.7
99.04413	2.9
101.02338	9.2
101.11716	1.1
104.80638	1.2
105.19564	1.3
113.02335	7.5
116.07083	1.9
119.03410	4.0
125.28413	1.2
128.07109	3.9
142.69359	1.3
146.08168	80.6
147.08533	2.1
159.02968	1.2
161.04480	1.9
200.09248	1.6
308.13480	6.3
362.14368	1.8
380.15689	100.0
381.16098	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	380.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88717	0.3
53.42445	0.3
54.59546	0.3
59.01265	100.0
60.01600	0.9
60.51157	0.3
66.37101	0.3
71.14233	0.8
100.46747	0.3
109.51539	0.3
114.90388	0.4
151.97047	0.3
174.99298	0.5
217.00237	1.8
320.26117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1462
Annotation	Lamiol
Peak:m/z	Relative Intensity
57.03347	1.3
58.00472	1.4
59.01263	43.1
68.27940	0.8
69.49680	4.1
71.01267	22.9
72.99198	2.0
73.02852	1.6
75.00757	1.5
83.01244	1.7
83.04922	1.1
85.02837	6.2
85.35241	0.7
87.00771	1.6
89.02339	19.2
95.01298	2.2
98.19859	0.8
99.00755	1.3
101.02345	12.6
107.08611	0.7
111.39104	0.7
113.02357	8.4
119.03422	7.9
127.71674	0.7
129.01912	1.4
131.03424	1.1
134.03622	1.0
135.04390	0.7
135.08083	4.7
144.22614	0.8
147.18124	0.7
149.04514	1.1
153.09151	45.1
154.09502	3.0
160.04002	2.7
161.04471	2.5
171.10229	1.5
179.05507	2.0
179.07062	0.7
195.43675	0.7
197.08171	100.0
198.08521	6.6
215.09224	3.5
215.12787	0.9
219.05328	1.0
229.10747	2.1
245.13927	1.3
306.53912	0.8
317.25586	0.7
318.15381	1.2
341.11356	1.8
351.01422	0.8
359.12781	1.7
377.09549	1.6
377.14514	31.4
377.18091	1.5
377.22098	2.6
378.14621	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	379.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.5
58.31922	0.3
59.01264	4.4
71.61089	0.3
72.99174	0.5
79.95628	14.2
80.96410	3.1
82.53803	0.3
85.02850	0.4
95.01296	0.6
96.95890	0.4
100.17510	0.3
101.02359	0.4
109.02862	0.4
113.02338	0.3
121.02890	0.4
123.00804	2.1
133.02904	3.1
145.02905	1.0
147.04419	0.5
149.06085	0.4
151.04008	0.4
157.04022	0.3
159.11592	0.4
169.06601	0.6
171.04530	0.3
173.06020	0.4
181.06496	0.4
183.04561	0.4
185.05988	0.6
195.04478	0.5
197.06036	2.1
198.03162	0.4
199.03955	0.5
201.05545	1.1
213.05597	3.9
223.04025	0.6
224.04764	0.5
225.05487	2.2
226.02782	0.5
227.03633	0.5
240.04225	0.5
241.05080	10.3
242.05385	0.7
251.03542	0.9
254.02254	2.3
256.07486	0.8
268.03906	1.4
269.04611	100.0
270.04938	8.2
283.06082	1.1
284.06964	71.4
285.07309	5.9
299.09311	50.2
300.09683	4.6
326.62833	0.3
332.41260	0.4
340.95551	0.4
364.02490	0.6
379.04999	80.1
380.05319	8.5
380.10199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.3
57.03336	3.2
58.00480	4.8
59.01266	97.3
60.01602	0.9
61.98754	0.5
68.27748	0.4
69.03352	1.1
69.50666	1.5
69.51094	2.0
71.01272	100.0
72.01618	1.5
72.99198	5.7
73.02839	16.5
75.00767	1.3
83.01283	7.6
85.02846	25.4
87.00772	5.8
89.02340	99.6
90.02687	2.0
95.01291	5.0
97.02857	1.8
98.20597	0.9
99.00786	6.7
99.04430	0.5
101.02350	55.4
102.02663	1.5
109.02868	0.6
111.00795	0.8
113.02358	31.2
114.02702	0.9
115.03926	0.9
119.03422	24.3
125.02371	3.2
129.01875	0.8
131.03432	21.2
139.03911	0.5
143.03436	7.4
149.04500	37.8
150.04829	1.2
155.10699	0.8
157.08675	1.5
159.02980	2.2
161.04504	18.5
161.05865	0.9
162.04880	0.5
179.05583	23.4
180.06003	0.5
190.50027	0.5
191.05592	7.4
199.09735	1.1
205.03537	0.6
233.06624	0.6
247.11905	50.7
248.12314	2.9
251.07925	0.8
252.95573	0.5
268.82272	0.4
291.10938	0.8
296.50107	0.5
304.88223	0.5
361.10583	1.0
379.11542	2.0
379.16150	24.9
380.16568	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	379.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82502	0.3
52.26888	0.4
56.21032	0.4
59.01264	100.0
60.01610	1.2
60.02001	0.3
70.59055	1.2
71.01273	2.2
71.08900	0.4
73.02837	2.4
83.01266	0.5
83.17559	0.4
85.02843	0.5
89.02360	1.3
101.02337	3.6
104.76129	0.4
113.02393	1.7
119.03429	0.9
143.03502	0.4
149.04530	0.8
161.04533	1.6
164.01584	0.4
201.16234	0.4
296.33633	0.4
297.63321	0.4
317.11118	0.4
379.11868	0.5
379.16342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01595	1.2
68.06619	0.3
70.32439	0.3
70.54240	0.6
71.01277	2.9
73.02844	2.0
83.01282	1.0
85.02853	0.5
89.02367	0.8
89.66991	0.4
101.02337	3.2
113.02368	1.4
113.06048	0.4
119.03419	1.0
143.03499	0.5
149.04543	0.6
161.04483	1.6
173.22162	0.4
179.05278	0.4
193.76251	0.3
221.06606	0.4
277.87701	0.3
299.58258	0.4
309.36923	0.3
319.13989	0.5
336.11035	0.3
379.15939	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	379.1619
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.77723	0.5
55.01773	5.3
57.03336	4.7
58.00481	5.0
59.01266	100.0
60.01610	1.3
69.03345	1.1
69.50004	3.3
69.50406	0.9
70.98910	0.6
71.01272	97.2
72.01600	1.2
72.99198	4.0
73.02838	19.8
75.00748	0.8
77.02322	0.5
79.13717	0.6
83.01281	11.0
84.02058	0.6
85.02846	33.5
85.06488	1.4
86.03210	0.7
87.00777	4.9
89.02339	67.9
90.02684	1.4
95.01286	5.7
97.02863	2.8
99.00788	8.1
101.02350	49.8
102.02671	1.4
110.06982	0.5
111.04466	0.7
113.02362	30.7
114.02677	1.1
119.03419	19.7
125.02399	2.4
129.01810	0.8
131.03438	8.5
143.03458	4.7
149.04507	14.0
159.01775	0.5
159.02884	2.9
161.04510	18.7
179.05585	14.2
191.05618	3.0
221.90273	0.6
247.11908	55.1
248.12294	3.5
294.83780	0.5
333.82101	0.5
361.10220	1.1
379.11310	1.5
379.16061	11.2
380.16174	0.8
390.41446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.216
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
56.85970	1.2
58.08264	1.1
58.33279	1.0
59.01263	58.0
61.98727	2.7
66.51185	1.2
69.04638	1.1
70.76849	2.8
70.77187	1.1
71.78305	1.2
79.19914	1.0
87.69489	1.2
95.04919	3.1
121.10146	29.4
121.11019	1.7
122.10458	1.3
125.09636	1.6
148.97588	1.1
159.01498	1.4
171.10228	67.2
172.10603	2.1
174.99232	5.2
185.11850	2.0
207.10023	2.2
217.00290	23.1
231.21291	4.0
275.20215	100.0
276.20566	10.5
278.11368	10.5
293.21283	92.2
294.21722	8.0
297.18375	2.1
315.19498	47.5
316.19748	5.7
329.17215	1.3
359.18558	11.9
360.19205	1.4
374.99283	1.7
375.21469	51.3
376.21777	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	375.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69811	1.0
59.01266	57.0
61.98708	2.8
70.23799	4.5
71.04899	4.5
83.04942	1.3
126.43730	1.2
141.10808	1.0
164.97441	1.0
174.99223	3.6
205.16028	1.0
208.97617	1.2
209.15469	1.2
217.00308	16.6
223.17024	4.2
224.21132	1.0
225.00624	1.1
227.00467	1.4
235.17056	29.9
236.17378	2.2
236.94504	0.9
275.20209	32.5
276.20480	1.5
293.21304	100.0
294.21579	11.2
315.19376	1.9
359.01306	4.4
374.99231	1.3
375.04364	1.1
375.16592	2.0
375.21576	42.1
375.25085	1.8
376.21982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	2.1
59.01265	85.6
60.01620	0.7
61.98720	1.3
71.01271	1.7
71.60849	0.6
73.57255	0.5
78.89175	0.4
85.06476	0.9
87.04429	1.3
89.02361	0.9
97.06487	0.9
101.02347	0.6
105.22437	0.4
109.02902	0.4
113.02371	0.5
115.07566	1.6
115.56861	0.4
116.41920	0.4
118.34129	0.4
123.08067	1.1
139.07628	0.4
141.09164	0.6
141.12796	0.7
143.10728	3.8
153.09125	0.4
155.14384	0.8
157.12296	0.6
171.13864	1.9
185.15411	2.1
199.17078	1.0
201.14984	0.5
213.18573	0.7
217.00369	0.4
229.18108	3.5
241.61627	0.4
243.19720	0.9
269.05298	0.4
277.21664	0.6
295.22711	0.7
299.10522	0.4
315.25500	10.8
316.25827	1.1
331.11771	0.5
345.13770	0.5
357.26627	0.6
375.19965	2.7
375.27585	100.0
376.20718	0.8
376.27957	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	377.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	2.8
59.01265	34.7
63.28303	2.0
70.34357	8.8
71.01270	29.4
74.68366	2.0
79.70825	2.5
85.02853	3.5
87.00767	4.8
89.02336	31.3
101.02345	13.0
113.02390	12.7
113.03156	2.2
117.24352	2.2
119.03415	10.1
129.01845	2.5
137.89842	2.0
156.56206	2.2
161.04550	3.3
179.05571	17.1
197.02179	3.7
215.03265	21.2
223.80020	2.3
341.10959	100.0
342.11313	7.4
377.08633	80.6
378.08929	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	375.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	36.6
61.98708	3.5
63.77880	0.9
68.81200	0.7
69.96005	5.0
74.98656	0.9
80.63614	0.9
83.37154	0.8
93.03371	1.0
93.62858	0.8
95.04923	39.4
95.05535	2.0
96.05254	1.4
96.75452	0.8
98.20470	1.3
99.85522	0.9
99.92477	0.9
112.74685	0.9
150.02921	1.7
167.10851	1.3
172.15604	0.8
174.99242	4.0
179.00189	0.9
195.13896	10.6
196.14450	1.4
210.03812	1.1
217.00330	17.2
218.00464	0.9
223.13370	10.1
231.21507	0.9
246.12386	13.1
249.06178	1.4
254.03043	1.1
256.13232	2.5
275.20169	5.6
278.11395	84.1
279.11819	7.1
293.21286	100.0
294.21582	10.1
306.13422	1.3
315.19492	22.7
316.19751	2.3
320.54349	1.0
338.12234	9.8
339.12653	1.4
374.99307	1.8
375.21567	7.0
375.25290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88920	0.4
59.01263	100.0
60.01598	1.4
61.98722	2.3
71.01299	0.5
71.59609	0.6
71.60001	0.7
109.02877	0.7
118.62032	0.5
132.98090	0.5
143.11655	0.5
165.12796	1.7
174.99197	4.3
213.80548	0.5
217.00282	19.1
217.02364	0.9
218.00679	1.0
227.12860	0.6
374.99316	1.5
375.18054	1.6
375.21982	1.3
395.49603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
57.03341	1.2
58.00481	1.9
59.01265	46.5
60.01610	0.4
60.14240	0.2
61.98720	0.4
62.83027	0.2
64.81477	0.2
65.23440	0.2
65.94604	0.2
69.50183	0.4
69.50514	1.9
71.01271	23.5
71.55287	0.2
72.01622	0.4
72.99205	2.0
73.02840	1.0
75.00766	0.5
83.01274	1.8
85.02843	5.6
87.00782	0.7
89.02338	19.2
90.02684	0.3
92.85538	0.2
95.01279	1.9
99.00798	0.4
101.02346	13.6
106.46670	0.2
113.02352	8.8
114.02534	0.3
116.59117	0.3
119.03415	5.7
119.04274	0.3
125.02336	0.3
132.02100	0.3
134.03662	0.2
143.03452	0.4
157.12389	0.2
160.01593	0.6
161.02353	0.3
165.03987	1.1
165.12775	0.7
175.03981	0.7
177.12837	0.3
183.13857	2.5
195.13869	10.2
196.14175	0.5
213.14970	3.6
223.98096	0.2
227.12909	2.0
268.03882	0.8
269.04517	1.4
305.68451	0.3
345.13470	0.4
357.19211	0.7
375.20309	100.0
375.27856	3.1
376.10150	1.7
376.20660	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	375.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.6
68.63354	1.1
70.10428	3.0
70.10840	2.8
74.98985	1.2
159.08406	9.4
161.06348	2.7
209.01370	1.9
216.93730	1.2
217.07358	1.6
277.07678	1.6
289.07535	2.8
291.09171	96.6
292.09268	14.5
309.10184	2.8
359.15430	100.0
360.15637	20.1
364.66504	1.6
375.18530	11.9
376.18735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80949	0.2
54.40916	0.2
56.56863	0.2
66.68258	0.2
71.17992	0.5
71.18353	0.2
74.98973	2.0
77.49473	0.2
88.00839	0.2
91.02073	0.4
92.71763	0.2
93.00037	1.7
94.20435	0.2
110.15513	0.3
111.16037	0.2
113.67741	0.2
149.00906	0.7
157.33530	0.3
159.08418	9.8
159.09756	0.5
160.08612	0.3
161.06369	2.9
192.98135	0.7
206.99631	0.3
209.01274	2.4
213.41132	0.2
217.07262	1.1
225.00758	0.5
261.04459	0.3
273.63522	0.2
275.05942	1.0
277.07593	2.5
278.08057	0.3
289.07553	1.7
290.07785	0.3
291.09167	93.5
292.09274	12.1
309.10260	1.7
318.70154	0.2
328.69052	0.3
343.12354	0.3
357.13904	1.9
359.15433	100.0
360.15598	16.6
361.34204	0.3
375.18573	9.5
376.18744	1.8
377.16556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98450	0.4
59.01264	15.1
61.98711	0.8
71.01272	11.2
71.62038	0.4
71.62488	0.5
72.99183	0.4
79.48650	0.4
80.91562	0.8
102.32906	0.4
115.44951	0.4
127.07577	1.5
148.05081	0.6
149.06009	0.6
151.07634	1.0
153.01654	0.8
164.08371	1.1
174.99225	3.2
175.77841	0.5
177.09160	3.5
190.09933	1.9
191.10669	0.4
192.11536	7.6
193.12122	0.5
205.12361	3.3
207.13858	2.3
208.14096	0.4
217.00302	12.2
217.08755	0.5
218.00739	0.6
218.09467	2.7
220.14685	41.5
221.15465	100.0
222.15799	7.5
231.17642	0.6
235.13455	1.9
236.10556	92.7
237.08699	0.6
237.10941	7.0
253.14647	0.4
258.08643	0.5
264.08572	0.6
275.16574	1.6
292.11795	0.8
293.17654	50.2
294.17963	4.8
300.53461	0.4
305.08273	2.0
306.08591	0.4
318.09601	4.7
319.09860	1.2
321.15591	1.7
321.53174	0.4
334.12006	0.6
335.13370	0.6
374.99335	1.1
375.17972	11.6
375.25397	0.6
376.17938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16072	3.7
59.00994	5.6
59.01268	76.7
60.08529	3.6
61.98717	6.6
70.75922	12.2
71.01276	55.4
73.02821	6.7
75.00764	5.0
81.01412	3.5
83.01317	6.0
85.02844	11.4
87.00780	16.2
89.02341	78.3
96.65169	3.6
96.95914	5.0
97.90773	3.8
101.02348	36.7
102.71201	4.1
113.02361	27.6
113.03069	3.4
117.03349	9.4
119.03418	35.2
119.04898	4.1
121.02879	4.5
123.00793	4.4
125.02370	6.6
137.02429	3.8
141.01843	16.5
145.02881	29.5
146.03645	9.4
147.04425	10.6
149.02429	30.6
150.03180	41.6
153.01903	25.8
161.02412	35.3
161.04524	16.4
162.03177	42.4
163.03966	6.0
164.04802	19.0
165.01825	6.3
165.05522	100.0
175.34319	3.8
177.05527	34.7
179.05563	10.3
180.04216	14.0
192.37170	4.2
195.06589	51.8
196.06882	5.4
303.07346	4.9
320.03525	4.5
327.11005	10.3
357.11917	15.5
375.09042	6.9
382.00150	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	375.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
57.03325	3.2
58.00471	1.6
59.01267	39.7
71.01273	27.7
71.42565	1.0
72.99195	2.3
73.02834	6.2
75.15266	1.0
83.01266	6.6
84.91332	0.9
85.02850	12.7
86.00002	1.0
87.00759	2.6
89.02338	18.1
89.02843	1.7
95.01291	2.9
99.00781	2.8
101.02340	28.2
111.00760	1.5
113.02345	10.0
114.17339	0.8
119.03397	7.0
133.10103	1.3
139.16284	1.0
143.03445	1.6
161.04533	2.1
169.12172	1.1
177.09120	6.2
179.05574	2.3
195.10161	1.5
297.48123	1.0
331.17688	1.2
357.15607	30.8
358.15961	2.9
375.16675	100.0
376.17001	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	374.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84548	0.3
57.03329	0.6
59.01260	6.1
60.01603	0.3
61.98715	100.0
68.16178	0.2
70.57541	1.0
71.01273	3.1
73.02841	1.3
80.70466	0.2
81.25646	0.3
83.01292	0.4
85.02840	1.5
87.00816	0.5
87.04407	0.5
88.03948	0.4
89.02329	0.7
95.01294	0.4
95.71113	0.3
96.95922	1.4
97.02868	0.3
99.00831	0.3
101.02361	1.1
108.04487	0.5
113.02359	2.0
114.02706	0.4
119.03445	0.4
123.30656	0.3
133.06834	0.6
135.04442	0.4
139.11264	0.8
143.03383	0.3
149.06039	0.4
151.05061	1.0
161.04518	0.3
169.06114	1.3
181.12312	0.6
183.10249	1.2
195.06529	1.4
209.08249	1.1
209.89684	0.3
221.38202	0.3
241.08318	1.1
243.12387	4.3
301.02560	0.3
371.58508	0.3
373.22195	0.6
373.26221	0.8
374.22711	1.0
374.26642	0.7
375.07736	1.5
375.16290	1.7
375.27542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	1.0
61.98716	5.2
66.79133	0.5
69.35069	5.4
71.79383	0.5
78.75582	0.5
89.02349	1.0
149.06058	0.7
174.99219	5.4
217.00311	22.9
223.20612	1.0
224.83350	0.6
253.21780	0.8
265.95645	0.6
314.27188	1.1
316.10544	0.9
357.15036	2.8
374.24570	0.8
374.99353	1.9
375.16043	10.3
375.21118	1.0
375.26120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55117	0.5
53.94029	0.4
54.42812	0.5
54.57173	0.4
57.03331	1.4
59.01267	95.8
59.45076	0.4
60.01608	1.1
71.01271	1.3
71.39531	1.2
76.09128	0.5
85.02818	0.7
86.54076	0.4
86.92469	0.5
89.02370	0.5
95.04928	0.7
96.35588	0.7
97.06492	4.6
101.02348	0.7
111.08104	1.0
113.02349	0.7
113.09612	1.1
121.06450	0.6
123.08082	12.8
139.11150	0.6
141.09181	2.8
141.12766	5.4
151.51624	0.6
152.08392	2.2
162.62360	0.6
163.64839	0.4
171.13885	4.0
172.14212	0.6
235.20776	0.6
251.20276	0.9
277.21780	13.1
278.22110	1.9
295.22827	7.1
296.23077	0.8
313.23871	2.3
373.26025	100.0
374.21576	0.9
374.26367	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	373.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	7.4
59.01265	100.0
60.01598	0.8
61.98727	1.2
65.58068	0.4
71.04900	2.7
71.35896	0.8
111.08070	0.4
121.02871	0.7
155.14339	4.2
156.14708	0.5
165.01826	0.8
166.46346	0.5
183.13838	1.8
185.15454	6.0
197.15498	2.4
199.16997	7.6
199.18803	0.5
211.16983	1.0
213.18582	8.0
214.18997	0.9
225.18591	0.4
243.19691	17.1
244.19991	1.4
255.19626	2.5
277.21667	0.7
295.22882	3.3
296.33670	0.5
311.25693	0.5
313.23984	3.0
313.78171	0.5
355.81592	0.5
373.26019	84.7
374.26385	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	373.2603
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.25215	0.3
57.03342	6.6
59.01266	100.0
59.43484	0.3
60.01599	1.0
61.98721	0.6
66.51363	0.3
69.33057	2.0
69.33481	1.1
71.04909	2.9
71.05193	0.3
80.18330	0.3
85.06463	0.3
96.95908	0.3
111.08092	0.6
116.04110	0.3
125.09716	0.3
135.60406	0.3
138.06870	0.3
155.14348	4.2
156.14671	0.3
162.62378	0.4
183.13885	2.2
185.15427	5.7
197.15448	2.0
199.17026	6.8
200.17281	0.4
211.17023	1.2
213.18623	7.4
221.19272	0.4
229.18076	0.5
243.19687	16.4
244.20030	1.1
252.04688	0.3
255.19707	2.1
295.22885	4.1
296.22971	0.4
297.11307	0.3
301.20258	0.5
311.26059	0.4
313.23862	2.7
328.09683	0.4
343.24930	0.8
355.24966	0.7
357.10327	0.5
358.10767	1.2
373.13495	1.8
373.26025	87.4
374.21567	0.6
374.26392	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	373.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73621	0.3
55.01768	5.2
57.03334	5.8
58.00478	2.4
58.32186	0.3
59.01262	46.0
61.98706	0.3
68.99703	0.3
69.03343	1.9
70.07461	0.3
71.01266	100.0
71.54371	0.3
72.01615	1.6
72.99191	4.1
73.02832	29.7
73.98069	0.3
74.03189	0.5
75.00766	2.3
81.03345	0.6
83.01274	12.4
84.01606	0.3
84.02063	0.7
85.02841	42.1
86.00000	1.2
86.03197	0.7
87.00763	4.2
89.02335	17.3
95.01283	6.8
97.02836	3.0
99.00780	12.8
99.04430	0.4
101.02342	69.4
102.02679	1.1
105.31477	0.3
109.02837	1.0
111.00778	1.2
113.02353	42.2
114.02705	1.5
115.00274	0.3
119.03424	6.0
121.02934	0.4
122.03640	1.1
124.01582	1.1
125.02389	2.5
129.01854	2.2
131.03435	1.1
133.02908	1.8
135.04443	0.6
137.02386	0.7
139.00275	0.3
139.11227	1.3
143.03444	4.5
147.04451	1.3
148.05223	1.1
149.04480	2.0
149.06018	0.4
150.03203	0.3
153.01886	0.3
154.02658	0.3
159.02934	10.2
161.04503	44.4
162.04810	1.5
163.03885	0.4
179.05545	0.7
181.08614	0.4
189.98143	0.3
193.08696	0.3
193.15877	0.4
197.11813	2.6
198.12085	0.6
205.03520	2.6
211.13454	0.4
211.17032	7.3
238.62430	0.3
241.05202	0.3
241.10875	2.7
241.14391	0.3
242.05849	1.1
255.06645	0.4
257.08258	0.4
267.06662	0.7
269.07993	0.5
270.08966	1.0
285.11356	6.1
286.11609	0.7
329.10425	0.5
338.98044	0.3
373.09378	1.1
373.15106	1.4
373.18964	0.6
373.22400	10.8
374.16592	0.3
374.22650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.2
57.93833	0.4
59.01268	93.9
60.01617	0.8
71.01264	0.5
71.01958	1.0
71.04913	0.5
87.30840	0.4
95.04947	0.8
97.06488	4.3
99.89600	0.4
101.02387	0.5
109.06522	0.4
109.48775	0.4
110.58688	0.3
111.08075	1.8
113.09644	0.6
116.54764	0.4
118.77345	0.4
119.02332	0.4
123.08081	13.4
124.08471	0.5
133.02927	0.6
139.11198	1.2
141.09152	3.2
141.12788	4.6
152.07144	0.4
152.08368	1.3
171.13844	4.2
200.14200	0.9
251.20149	1.2
277.21799	13.2
278.22195	1.5
285.11453	1.7
295.19595	0.4
295.22870	8.3
296.23117	0.6
313.23907	1.5
355.25195	0.7
373.26022	100.0
374.26385	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	6.1
57.03340	6.0
57.09828	0.3
58.00486	2.3
59.01266	50.0
60.01594	0.5
61.98707	0.5
65.97236	0.3
66.51849	0.3
68.99717	0.7
69.03349	1.8
69.26387	0.6
69.26792	2.9
71.01272	100.0
72.01596	1.3
72.99201	3.9
73.02837	29.2
75.00768	1.7
81.03349	0.4
83.01279	12.9
84.02063	0.7
85.02844	43.1
86.00002	1.0
86.03179	1.0
87.00774	3.7
89.02339	16.8
92.58445	0.3
95.01284	6.3
97.02855	2.3
98.19868	0.7
99.00784	12.5
101.02348	64.1
102.02689	1.3
108.02094	0.5
109.02866	1.1
111.00818	0.9
113.02359	41.3
114.02698	1.0
115.00273	0.5
115.03915	0.5
119.03415	5.2
120.00040	0.3
121.02880	0.5
122.03658	1.1
124.01600	0.9
125.02391	2.6
126.38543	0.3
129.01849	1.7
131.03429	1.2
133.02922	1.6
135.04492	0.5
137.09637	0.7
139.00296	0.6
139.11183	0.8
143.03447	4.0
147.04457	0.8
148.05217	1.0
149.02480	0.3
149.04480	2.4
149.05992	0.3
150.03200	0.4
151.03981	0.5
153.01819	0.5
159.02948	9.9
161.04507	42.3
162.04803	1.4
164.04698	0.4
169.64771	0.3
179.05540	1.1
181.08647	0.6
193.54723	0.3
197.11830	3.9
198.12126	0.4
205.03523	2.9
211.13673	0.4
211.17046	6.6
212.17415	0.6
220.22142	0.3
225.11545	0.4
241.10852	3.2
241.14455	0.4
242.05742	0.9
257.08066	0.5
267.06650	0.6
269.08191	0.3
270.08875	0.9
285.11392	7.4
286.11740	0.7
329.10422	0.6
373.09274	1.7
373.14856	2.4
373.22458	9.3
374.22702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2028
Annotation	Nasimalun B
Peak:m/z	Relative Intensity
56.31644	0.7
59.01269	5.2
61.98708	2.2
71.01256	0.9
71.56178	1.2
71.56530	0.8
73.54193	0.7
121.02858	0.9
135.04460	1.5
146.03648	2.6
147.04482	0.7
148.05249	1.7
157.58275	0.7
161.06020	5.6
162.06819	49.3
163.07214	2.5
164.04713	1.5
174.06837	0.8
175.07619	2.0
176.04800	4.4
183.08112	1.2
188.08423	4.2
189.08856	1.0
190.06377	2.4
194.05785	1.5
201.09189	20.4
202.09526	1.7
215.10724	0.8
229.12468	0.9
243.14085	0.9
244.14653	1.3
257.15515	8.8
258.15939	1.1
271.17145	2.5
285.18683	4.3
313.18158	100.0
314.18539	12.3
323.16595	1.4
327.19803	1.9
330.73950	0.8
341.17563	9.2
342.17932	1.7
345.16687	1.6
345.20786	28.3
346.21228	3.7
355.19220	0.9
361.05591	0.8
373.20258	96.2
373.27686	2.7
374.20621	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	373.2028
Annotation	Kadangustin K
Peak:m/z	Relative Intensity
59.01258	1.8
60.12144	0.5
61.98723	0.6
62.96301	0.5
63.65224	0.5
68.58617	0.4
69.03342	2.0
71.30844	1.0
93.03340	0.5
118.23328	0.4
119.04948	0.7
121.02777	0.5
129.03395	1.0
135.04472	0.6
143.04993	1.4
145.06544	4.4
146.03665	3.3
147.04451	34.2
148.04828	1.6
155.04968	2.7
156.05701	0.5
158.03673	1.3
159.04459	47.6
160.05002	3.7
161.02368	0.9
161.06020	4.5
162.06563	0.6
171.04451	0.7
172.05261	8.9
173.06032	81.7
174.03185	3.0
174.06361	5.6
175.03949	12.5
176.04539	0.7
183.04495	0.8
185.06056	1.5
186.06830	1.5
187.04079	2.6
187.07608	20.4
188.08167	2.6
189.05536	6.1
199.07581	1.4
200.04752	0.8
200.08385	0.5
201.05551	14.4
201.09241	1.1
202.05911	0.9
215.07106	8.6
216.07907	76.2
217.08273	6.2
229.08678	0.7
229.12360	0.6
230.09586	0.7
257.15295	0.5
271.13373	0.6
283.13480	1.0
285.15005	5.4
286.15408	0.8
297.15060	4.2
300.13754	1.5
301.14313	0.7
311.16422	0.7
315.16208	1.0
317.17612	0.7
329.13974	2.2
329.17648	3.7
331.15558	1.2
332.16290	2.9
341.17639	56.5
342.17932	7.7
343.15390	0.7
344.16431	0.7
355.19171	0.9
373.20267	100.0
374.16022	1.0
374.20569	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	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89229	0.3
55.01770	1.1
57.03334	1.6
58.00483	2.6
58.46911	0.3
59.01266	100.0
60.01598	1.1
61.98716	1.0
64.58386	0.3
70.51492	1.2
71.01271	34.7
71.04913	0.5
72.01608	0.5
72.99195	2.5
73.02824	2.6
75.00765	0.8
83.01279	2.5
85.02845	7.6
87.00775	1.6
89.02338	38.2
90.02673	0.8
90.04011	0.4
95.01292	2.2
99.00814	1.0
101.02345	25.5
102.02711	0.5
109.02861	0.6
112.62207	0.4
113.01545	0.4
113.02357	16.2
119.03416	20.8
120.03770	0.5
125.02382	0.7
131.03410	1.8
137.02399	0.4
143.03407	2.7
149.04555	1.7
151.03961	0.6
153.01926	1.0
156.09450	0.4
159.02859	0.5
161.04541	3.4
174.51762	0.3
176.25237	0.4
179.05553	2.7
193.04819	0.3
193.08643	0.5
193.12337	4.0
198.50716	0.4
200.35905	0.4
211.13396	1.2
285.04053	0.6
308.11884	1.6
331.17715	1.5
341.53342	0.4
373.18753	30.6
373.25928	9.5
374.19083	4.5
374.26385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03340	1.0
58.00484	0.7
59.01264	100.0
60.01605	0.9
61.35188	0.1
61.98717	0.4
62.68250	0.1
69.03356	0.3
69.63851	0.9
71.01269	17.5
71.04914	0.2
72.01603	0.3
72.99180	0.6
73.02836	7.5
73.59042	0.1
74.03171	0.1
75.00773	0.2
81.03369	0.2
81.06992	1.2
83.01281	2.9
84.68678	0.1
85.02843	5.8
85.99969	1.3
86.03178	0.1
87.00774	1.9
87.04422	0.3
89.02335	9.5
95.01289	1.3
96.95922	0.1
97.02858	0.4
97.06494	0.3
99.00779	1.5
99.04432	0.2
101.02345	12.6
101.05988	0.5
102.02681	0.3
102.19608	0.1
103.54155	0.1
113.02355	7.8
114.02699	0.3
119.03419	4.6
123.08118	0.1
125.02335	0.8
129.01845	0.2
131.03441	0.8
143.03427	1.3
143.10733	0.7
149.04526	0.6
159.02910	0.9
159.06577	1.7
161.04498	7.2
161.65637	0.2
162.04887	0.2
165.09239	0.2
179.05583	2.9
192.56239	0.2
203.05626	0.4
205.03519	0.1
209.08189	0.4
210.08556	0.2
211.08791	0.5
233.10362	0.4
249.09845	0.6
295.22934	0.1
308.12009	0.2
313.16653	2.4
313.23959	0.2
314.16885	0.2
331.17700	4.4
332.18024	0.5
355.17819	0.2
373.18680	0.3
373.26031	5.6
374.26364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.5
57.03336	1.1
57.58874	0.4
58.00486	4.0
59.01266	100.0
60.01610	1.1
61.98721	0.7
69.57992	3.3
71.01270	58.0
71.21833	0.4
72.01609	0.5
72.99204	5.5
73.02837	2.2
78.57123	0.4
83.01275	3.3
85.02842	10.5
87.00770	2.5
88.07791	0.4
89.02338	68.3
90.02666	1.0
95.01289	3.5
97.06517	0.4
98.19755	0.5
99.00777	1.1
101.02347	35.3
102.02682	0.8
105.78181	0.4
113.02352	23.3
114.02644	0.9
119.03416	35.6
120.03765	0.8
125.02453	0.6
126.94592	0.4
131.03433	3.2
135.04436	1.5
140.59995	0.4
143.03412	4.2
144.03595	0.4
147.11748	1.9
149.04503	2.4
161.04514	3.9
167.10736	1.6
179.03461	0.8
179.05591	7.0
193.12315	31.6
194.12653	2.1
211.09605	0.6
211.13417	0.4
299.67188	0.5
373.18759	23.1
373.25766	4.4
374.19101	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	373.1877
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.48689	0.3
55.01768	0.4
57.03349	0.4
58.00484	0.5
58.53109	0.2
59.01266	100.0
60.01600	1.2
69.34345	0.8
69.34766	1.7
71.01271	8.6
72.01625	0.3
72.99200	0.5
73.02840	3.8
74.94283	0.3
83.01286	1.4
85.02857	3.3
89.02338	4.0
90.93680	0.3
91.82182	0.2
95.01291	0.6
97.02860	0.3
99.00790	0.7
101.02352	6.5
103.87012	0.2
113.02353	4.3
118.94978	0.3
119.03413	1.4
131.03444	0.3
134.03632	0.3
143.03490	0.4
161.04498	2.4
179.05603	0.6
285.11472	1.0
331.17703	0.6
373.22360	0.8
391.55438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67393	0.2
57.03337	0.6
58.00492	0.2
59.01265	100.0
60.01598	1.0
69.03345	0.3
71.01270	8.5
71.01894	0.5
72.99209	0.3
73.02838	5.2
83.01261	1.6
85.02843	2.2
87.00779	0.3
89.02338	4.0
91.45731	0.2
95.01297	0.8
99.00809	0.5
101.02345	6.0
101.71670	0.2
113.02357	4.2
114.02648	0.2
115.33878	0.2
115.34842	0.2
119.03402	1.4
120.74196	0.2
121.02903	0.5
123.04431	0.2
125.02363	0.2
131.03447	0.4
134.03673	0.3
135.04478	0.3
143.03459	0.7
147.04462	0.2
149.04517	0.3
161.04507	1.8
179.05630	0.5
185.61450	0.2
193.05115	0.4
209.02907	0.2
240.04594	0.2
243.12253	0.2
251.08002	0.2
267.06769	0.7
269.08182	0.9
280.07813	0.3
281.08194	0.3
283.09915	0.5
284.10931	0.3
285.11465	0.3
295.09808	0.3
298.32352	0.2
311.09457	0.5
328.09402	0.2
331.17822	0.6
333.34473	0.2
340.09656	0.8
343.11960	2.9
344.12457	0.4
355.11945	2.5
356.12384	0.3
373.14697	0.2
373.22577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1452
Annotation	4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan
Peak:m/z	Relative Intensity
51.43099	0.6
59.01260	5.7
61.98697	2.7
71.60963	0.7
73.19603	0.6
88.91360	0.6
98.02602	0.5
109.02898	0.5
109.62923	0.6
121.02869	0.8
133.60773	0.6
146.03683	2.9
149.06004	2.1
151.03955	0.7
156.69409	0.6
159.04433	1.6
187.03992	1.3
188.04735	2.3
192.95966	0.7
197.06064	0.7
273.09357	0.9
283.07855	0.9
286.06485	1.9
287.07257	1.2
287.10565	0.8
297.09232	1.1
298.09680	0.7
299.07108	1.3
300.07898	1.1
301.08710	1.1
302.13147	0.7
311.07120	2.8
311.10486	1.2
312.07813	0.8
313.08621	1.2
314.05923	16.2
314.09448	1.4
315.06540	4.7
315.10358	2.5
316.07376	0.7
317.08176	1.9
325.08688	2.7
326.09341	1.4
327.06705	22.1
327.09830	0.8
327.13736	1.1
328.07410	13.6
329.08087	5.4
329.11655	0.9
330.08917	1.3
331.09860	1.3
332.10608	2.9
339.10153	0.8
340.11255	0.9
341.08270	6.5
341.12003	2.2
341.17422	2.8
342.08936	5.4
343.09793	50.0
344.10251	10.4
345.11151	0.8
345.14987	0.9
355.09680	0.8
355.13541	1.8
357.11377	12.9
358.12085	7.4
373.14520	100.0
374.14859	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	373.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07695	0.6
56.57299	0.7
57.03325	2.9
59.01268	50.9
61.98708	3.0
64.26470	0.6
64.81850	0.6
70.99292	1.9
71.01256	2.9
71.04888	1.5
73.02831	1.9
83.01286	1.3
83.04913	0.8
89.02327	1.4
93.03351	1.9
101.02357	1.5
102.99326	0.7
108.02056	2.6
109.02857	1.7
113.02337	1.8
119.03419	0.7
121.02876	22.5
121.59972	0.5
122.03248	1.0
123.04424	2.6
127.51110	0.6
135.04463	5.9
137.02344	0.7
143.10732	1.1
145.02861	5.0
146.03722	0.8
147.04443	5.2
148.04852	0.8
149.05988	1.1
159.04482	1.0
161.04492	1.0
161.05876	0.7
162.06758	1.7
177.05524	0.8
193.06656	0.7
194.05815	1.6
195.08253	0.8
197.05986	0.8
199.13322	2.3
205.92700	0.7
209.06096	1.2
210.06747	0.9
211.07602	2.1
212.04727	0.9
213.05550	1.8
223.07704	0.9
224.04858	1.5
224.08406	1.0
225.05545	2.8
225.09210	2.5
226.06163	1.8
227.07222	1.3
235.07639	1.2
237.05527	2.1
237.07611	1.2
238.06296	2.2
239.03484	1.1
239.07202	5.6
240.04314	1.8
240.07590	0.7
241.05107	4.1
241.08717	2.9
243.15999	8.0
247.20612	0.7
250.06340	0.8
251.07179	3.6
252.04407	0.8
252.07945	2.9
253.05046	4.3
253.08730	4.8
254.05904	3.7
254.08826	0.8
255.06651	9.2
256.07144	1.1
257.08087	0.7
263.07126	3.8
263.20175	2.0
264.07947	1.9
265.05246	0.7
265.08740	2.1
265.21753	2.0
266.05856	1.7
266.09482	0.8
267.06674	22.1
267.09830	0.8
268.07370	10.0
269.08228	35.3
270.08691	3.3
279.06802	1.0
279.10370	1.1
280.07477	12.1
281.08252	16.6
282.08783	2.8
283.09821	18.9
283.12888	1.2
284.07257	1.2
284.10532	8.1
284.13531	1.0
285.11005	1.1
295.06653	1.0
295.09824	16.0
295.22726	4.1
296.07065	1.3
296.10428	5.7
299.09409	1.0
299.12988	1.4
302.07968	0.6
310.08389	1.5
311.09354	17.7
311.12851	1.4
311.56235	0.7
312.09857	3.8
313.23999	1.5
323.09396	2.0
325.07336	4.1
325.10733	1.3
325.24023	1.1
327.08899	0.8
328.09558	9.8
328.13171	0.9
329.09732	1.1
337.11163	0.7
340.09570	32.9
341.09848	4.2
343.11929	100.0
343.25012	2.4
344.12210	14.0
355.11942	82.5
356.12289	11.2
373.26016	81.7
374.26437	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	373.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.3
68.32595	0.6
69.85589	3.6
71.01273	5.4
98.20551	0.6
108.02087	4.7
109.02863	15.3
113.65943	0.6
115.00283	7.9
121.02861	1.9
122.03656	31.8
123.04447	1.1
124.01590	15.1
133.02887	36.8
134.03333	0.9
135.04469	3.2
137.02364	5.3
145.02995	0.9
146.03659	3.3
147.03316	0.9
147.04459	14.0
148.05263	7.2
149.05905	0.6
154.02657	5.7
159.04454	0.6
160.05222	2.2
161.06036	13.5
163.03966	3.0
167.63689	0.6
179.03528	0.6
185.06032	0.6
198.72064	0.5
199.07727	0.9
211.07449	0.6
213.05536	2.3
226.06450	0.7
227.07042	0.7
228.87271	0.6
237.05690	1.0
241.05077	6.1
242.05852	18.6
243.06267	1.2
251.07224	0.8
252.07971	0.6
252.31924	0.6
253.08865	0.7
254.05940	1.3
255.06683	4.3
256.07346	1.1
257.08200	8.2
268.07251	1.2
269.08231	5.6
270.09039	17.4
271.09332	2.2
283.09802	0.9
285.11386	100.0
286.11710	9.3
296.06766	1.0
329.10400	1.6
350.01913	0.6
373.09335	16.5
374.09744	1.4
392.72122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58255	1.2
55.01765	1.9
56.76179	1.0
57.03343	9.6
58.00474	2.2
59.01265	36.1
64.12867	1.1
71.01272	24.6
71.10883	1.7
71.11218	2.4
72.99201	4.3
73.02840	4.4
75.00768	3.3
81.56396	1.1
83.01286	2.4
84.02061	1.6
85.02842	76.2
86.03191	1.4
87.00329	1.4
87.00755	8.0
89.02338	36.3
92.67208	1.1
97.55414	1.2
101.02346	13.4
103.00282	2.4
109.78204	1.2
113.02364	2.3
129.01860	6.7
131.03416	6.1
133.01352	5.5
134.03673	2.6
135.04456	4.9
136.01605	2.1
147.02917	2.7
148.05252	5.0
149.04512	14.8
149.05756	2.1
150.00729	1.3
153.79547	1.3
161.06119	1.3
162.03137	2.8
163.07570	3.2
164.04736	1.4
167.20677	1.3
172.68585	1.2
177.05496	5.9
179.03444	1.6
189.54781	1.2
190.06340	3.2
191.01942	26.8
191.05504	2.4
203.71088	1.1
205.08739	3.0
207.06650	2.8
209.03015	100.0
210.03401	3.3
219.06599	2.9
223.06215	1.7
235.06134	5.3
251.05632	7.7
257.80527	1.4
295.08405	1.6
371.09497	12.1
372.10147	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	371.2446
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
57.03338	2.5
59.01265	100.0
60.01605	1.3
61.53576	0.6
61.98729	0.7
71.01278	1.4
71.04912	7.6
71.63187	1.2
73.02825	0.8
83.01286	2.0
85.02854	2.1
85.06486	2.2
89.02347	1.2
95.04934	0.7
97.02828	1.0
97.06499	1.6
101.02338	1.5
108.61649	0.5
109.02849	0.7
111.08061	3.1
113.02377	1.1
116.37993	0.7
118.08915	0.6
120.33575	0.6
121.02946	0.7
123.04398	0.7
125.06025	1.5
135.04428	1.0
137.02382	1.3
137.09755	0.7
137.54001	0.7
139.03975	1.3
139.07594	4.1
141.31255	0.7
147.08160	0.7
149.06017	0.6
161.02388	6.2
167.10768	1.1
184.04100	0.6
191.07040	2.0
191.14432	0.7
193.15865	0.8
197.15387	2.0
209.02954	0.9
209.08206	7.4
241.17958	0.8
263.20209	13.1
281.18402	1.2
281.21280	11.7
282.21545	1.0
341.23343	7.4
342.23746	0.9
353.23431	21.0
354.23672	2.6
371.11975	4.3
371.24438	73.3
372.24774	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	371.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.1
57.03332	2.7
59.01263	18.9
59.34491	0.5
67.01778	1.4
68.99704	1.6
69.03336	1.3
71.01269	17.7
71.53777	0.8
72.99200	4.5
73.02844	1.7
75.00765	19.0
77.18326	0.6
81.03350	1.1
83.01286	2.2
83.04905	1.1
85.02845	22.2
87.00772	8.2
89.02325	5.4
93.03373	1.2
95.01283	4.8
97.02866	0.8
99.00775	11.0
101.02354	2.0
103.00294	2.9
106.17755	0.6
107.04910	0.6
108.02065	1.0
109.02865	1.7
111.00825	0.9
111.04448	0.7
113.02357	23.1
114.02760	1.0
115.00296	2.1
115.03925	0.7
117.01860	3.2
119.03413	0.7
121.02874	100.0
122.03189	4.2
123.04452	0.8
125.34156	0.6
129.01875	2.7
131.03441	0.6
139.00392	0.8
147.04440	0.8
149.02388	1.1
149.05998	1.0
157.01326	1.3
159.04475	1.7
159.65514	0.7
164.04753	1.1
165.03999	1.3
175.02492	3.3
189.03975	1.1
191.01958	0.9
209.02988	1.0
209.08199	1.3
223.06094	0.8
231.05113	7.1
249.06197	68.0
250.06488	4.1
253.05006	0.7
267.06662	0.7
268.07684	0.9
283.09775	1.7
311.07843	0.8
327.09729	1.3
353.08762	1.8
371.09906	69.2
372.10202	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	371.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09884	1.9
59.01267	16.3
69.67039	14.3
71.01271	7.1
72.99207	3.5
83.01270	4.3
85.02834	5.7
85.73943	1.8
86.31724	2.1
86.40812	2.0
89.02341	5.1
94.33875	1.7
101.02345	4.4
108.02082	2.1
123.04458	2.4
124.01534	3.3
131.05011	1.8
134.03711	9.5
135.04449	4.2
147.04436	1.9
148.04062	3.4
148.05219	54.6
149.05945	3.5
154.29625	2.0
159.04362	2.5
160.05263	4.1
161.02367	3.8
161.05997	2.8
162.03157	19.1
163.03951	5.3
163.07607	59.0
164.04738	8.2
164.07936	4.0
166.05032	5.5
171.59236	2.0
172.05206	8.8
173.05930	3.4
174.03123	2.2
175.03966	4.0
176.01074	2.2
176.04617	2.2
177.05530	40.2
178.06300	12.6
179.07066	2.5
187.07587	6.0
189.05534	5.0
190.06335	39.1
191.06769	3.2
192.04233	5.1
193.08618	7.6
194.02159	4.5
195.06508	3.9
202.06233	2.8
204.04271	3.5
205.08679	36.1
207.06683	18.7
209.02936	11.3
210.04025	3.5
217.08664	7.9
219.06677	19.3
221.08246	3.9
223.06073	6.1
231.06642	3.5
235.06200	10.7
237.07664	13.3
249.07716	6.4
251.05637	100.0
252.05856	6.4
265.10767	3.4
293.06784	6.2
327.10983	6.7
353.08899	19.2
371.09900	80.3
372.10223	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	371.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83128	0.7
55.01760	1.3
57.03334	8.9
59.01263	14.3
68.99698	1.5
71.01266	14.0
71.51643	1.1
72.99191	2.6
73.02829	1.9
73.87900	0.7
75.00768	2.2
83.01286	2.3
84.02067	1.5
85.02844	66.7
86.03171	1.2
87.00768	10.6
88.42118	0.7
89.02344	8.4
99.00790	1.0
101.02332	3.2
103.00263	1.7
108.02037	0.8
115.00302	0.7
129.01866	5.2
131.03400	1.1
133.01337	4.7
134.03641	4.2
135.04436	5.7
136.01593	1.5
147.02924	3.0
147.04395	1.1
148.05225	12.4
149.04468	2.5
149.05994	2.9
151.03932	2.0
161.02429	2.0
161.06052	1.2
162.03156	6.5
163.03914	2.6
163.07568	6.2
164.04691	2.8
172.05229	2.0
173.00996	0.8
173.06052	1.3
174.03212	0.6
175.03964	1.8
177.05556	6.6
178.06227	1.3
179.03432	1.7
179.07097	1.8
189.05516	1.9
190.06319	7.5
191.01949	25.1
192.04248	1.9
193.08717	0.9
194.02086	0.9
195.06651	0.8
204.04266	0.7
205.08725	4.4
207.06586	4.0
209.03018	100.0
210.03365	2.9
217.08725	1.3
219.06578	2.8
221.04491	0.8
221.08240	0.7
223.06192	1.6
231.06560	1.0
235.06126	5.2
236.38274	0.7
237.07721	1.7
249.07787	1.1
251.05641	10.6
252.05936	0.8
265.07294	1.0
292.88480	0.6
295.08377	0.8
327.11063	0.7
353.08945	1.9
371.05936	0.7
371.09854	17.0
372.10165	1.0
378.42291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	6.0
59.01258	11.4
61.98708	4.2
69.75969	18.6
71.01266	13.7
72.99227	3.7
75.00768	4.3
77.60876	2.8
85.02853	48.5
87.00777	18.5
89.02354	6.4
98.20629	2.9
101.02326	4.5
113.68654	2.8
125.45263	2.6
129.01872	3.5
135.04465	6.7
146.01395	2.9
149.05943	3.1
151.00749	2.9
151.03947	3.4
164.04771	2.9
165.78827	2.8
191.01993	20.1
201.16025	2.6
209.03029	100.0
210.03491	3.8
211.07993	2.6
234.94839	2.6
235.06093	4.4
308.06473	2.9
346.81439	2.7
371.09915	37.1
372.10071	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	371.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16764	0.2
59.01267	3.8
71.00642	0.7
71.01262	0.6
72.30379	0.2
74.78228	0.2
75.00788	0.3
85.02846	0.6
89.02315	0.4
93.03369	0.5
108.02086	4.1
109.02865	16.0
110.03185	0.5
111.00756	0.3
115.05441	1.0
119.04988	2.2
121.02859	0.9
122.03676	0.5
123.00796	0.3
123.04440	1.0
124.01556	0.4
129.03383	1.0
130.04169	0.9
131.04976	1.0
134.03659	0.9
135.04434	0.3
136.01566	1.2
137.02322	0.7
145.02908	1.7
146.03676	15.6
147.04466	11.8
148.04814	0.6
151.03915	1.7
158.03690	4.4
159.04465	16.8
160.04787	0.7
173.06062	0.4
174.03151	1.4
175.03963	12.4
176.04333	0.7
176.44119	0.3
185.06049	0.7
190.02600	0.4
197.06062	0.7
198.06917	0.5
205.04950	0.7
209.03015	0.3
211.07599	2.0
218.02316	0.3
219.02956	1.3
221.06032	0.4
223.07533	0.4
225.05571	0.9
239.07166	4.0
240.07794	1.2
241.04958	0.3
249.05617	0.6
250.06404	0.9
251.07205	1.7
252.07927	1.7
253.05052	0.9
253.08437	0.3
266.05930	0.4
267.06683	8.9
268.07458	70.8
269.07806	7.3
283.09818	100.0
284.10150	11.7
327.08823	6.4
328.09189	0.6
341.23456	0.6
353.23462	0.8
353.90338	0.3
371.07736	0.9
371.24408	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.135
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
51.23275	0.1
59.01255	0.7
61.98717	0.2
63.33484	0.2
63.64151	0.1
65.03851	5.1
66.04183	0.3
67.01776	2.2
67.52834	0.1
70.16779	0.5
70.17191	0.3
80.02563	0.2
91.01788	0.8
93.03365	5.6
107.01302	0.2
108.02114	0.9
109.02866	17.0
110.03213	0.6
116.36162	0.2
121.02862	0.7
123.04460	0.4
133.02914	0.7
134.99825	0.2
135.00816	2.0
135.04420	0.2
136.01662	0.8
137.02379	100.0
138.01714	0.3
138.02719	3.8
149.02383	1.4
151.03949	1.6
153.01881	1.1
161.06070	0.2
176.08476	0.2
177.01926	0.9
191.10760	1.4
192.11115	0.2
196.62794	0.1
201.05586	0.3
203.10782	0.3
216.07867	0.4
217.08728	0.6
231.10277	0.5
286.23999	0.3
287.24280	0.6
323.12631	0.2
341.13797	0.4
357.72079	0.2
369.13507	35.9
370.13831	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	369.1351
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
59.01264	12.0
61.98721	1.9
65.03842	1.2
69.46237	1.9
69.46648	7.9
72.99188	1.0
80.31960	0.9
85.02862	1.3
91.01794	1.3
96.95887	0.9
98.20505	2.2
108.02084	8.6
109.02863	7.3
109.06496	4.2
121.02876	9.6
122.03674	14.4
123.00829	1.8
123.04464	1.3
133.02858	5.4
133.10156	1.6
135.04422	1.1
136.01599	3.1
137.02365	8.1
147.04474	1.0
148.01639	2.9
149.02393	16.6
150.03166	6.1
153.05547	1.4
157.06561	3.2
159.08083	4.3
161.02386	46.1
162.02765	2.8
163.00362	1.3
163.03911	2.8
165.05518	1.7
177.09175	48.4
178.09488	2.7
189.09204	1.2
194.02382	1.0
203.07092	8.6
204.07858	7.1
205.08667	2.2
221.08182	12.7
231.06639	13.8
241.05194	1.4
243.06621	1.2
253.04976	5.9
255.06686	1.8
258.57608	1.1
265.05029	5.4
267.06625	2.9
271.06396	1.1
281.04642	2.8
293.04688	2.2
309.11691	1.1
310.12064	1.9
323.12897	2.0
325.14584	8.5
326.11685	4.6
327.12015	1.0
336.09930	1.5
341.14008	89.8
342.14331	11.3
351.12424	2.9
369.13519	100.0
369.23035	2.9
370.13776	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	369.1349
Annotation	Diphysolidone
Peak:m/z	Relative Intensity
52.76113	0.4
53.54205	0.4
55.50574	0.5
59.01268	3.2
61.98722	0.9
65.00220	2.6
68.99705	0.6
69.42448	3.8
71.01270	0.5
95.01338	0.5
107.01278	0.7
108.02095	1.5
109.02878	1.2
109.06532	2.1
121.02877	1.7
122.03664	3.9
124.01581	0.6
131.08656	0.7
133.02893	1.0
133.06512	4.9
134.03683	0.5
136.01549	1.5
137.02359	3.0
147.08163	0.8
148.01559	0.7
149.02371	8.5
149.06030	1.2
150.03160	6.1
151.07568	2.0
161.02388	4.5
162.03136	1.6
163.00316	0.8
163.03940	0.5
163.07707	0.6
164.01103	2.5
165.01866	2.2
175.03958	0.8
175.07610	1.2
176.01062	3.0
177.01900	5.4
177.05493	1.0
178.02650	1.0
182.02245	1.0
189.01930	0.6
189.09198	0.9
190.02650	1.3
191.07069	1.0
193.39415	0.5
196.00119	0.6
205.08652	1.7
210.01707	1.5
217.05069	0.8
218.05803	1.0
219.06572	3.6
220.06992	0.8
222.01816	0.8
233.08199	100.0
234.08537	7.3
245.08261	0.9
311.05624	0.8
315.65540	0.5
315.80536	0.5
328.10913	0.5
369.13486	88.7
370.13803	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	367.2649
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01253	1.3
62.91531	0.5
69.35456	0.7
69.35863	4.6
71.01255	0.6
78.44909	0.5
83.67058	0.5
119.34553	0.5
125.45512	0.5
133.06531	6.4
149.09659	73.5
149.51003	0.4
150.09982	3.7
151.96298	0.5
161.04465	0.5
183.01198	1.4
194.09476	0.9
197.02779	1.7
205.15967	41.6
206.16295	3.4
295.17010	3.8
296.17606	0.8
307.10437	1.0
318.76721	0.5
328.16898	2.2
367.26575	100.0
368.22684	1.1
368.26871	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	367.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.6
57.03338	2.3
57.05987	0.2
58.00487	1.2
58.00742	0.2
59.01262	22.7
60.01603	0.4
68.99684	0.3
69.03351	0.5
70.29868	1.0
71.01268	33.6
71.04917	0.4
72.01578	0.5
72.99200	1.8
73.02836	11.5
73.06470	0.4
75.00751	0.8
81.03367	0.2
83.01280	6.8
85.02841	18.3
85.99989	0.7
86.03178	0.3
87.00770	1.6
89.02338	6.0
90.49708	0.2
95.01289	2.1
97.02840	1.1
99.00779	5.9
101.02345	32.7
102.02680	0.7
108.04459	0.2
110.02404	0.6
111.00800	1.2
112.03953	0.3
113.02354	14.5
114.02703	0.4
115.03918	0.2
119.03402	0.9
125.02364	1.7
129.01840	1.4
131.03413	1.4
141.01859	0.2
143.03435	1.7
143.07030	0.3
145.80902	0.2
149.04510	0.7
150.05385	0.2
152.81609	0.2
158.52901	0.2
159.02917	3.1
160.03780	0.2
161.04500	13.5
162.04892	0.4
166.89767	0.2
205.03487	1.2
217.09801	0.5
233.06721	0.2
235.11882	100.0
236.12215	5.4
265.12817	0.3
279.10889	1.6
317.11688	0.3
367.16132	16.1
368.16394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03325	3.2
59.01265	62.6
68.99744	1.1
70.88461	4.2
71.01277	17.3
72.99193	5.9
75.00760	20.9
85.02838	21.2
87.00789	6.1
89.02328	4.9
91.03848	1.6
95.01283	4.5
99.00774	9.9
99.04413	2.8
101.02340	3.3
103.00249	2.9
107.42948	1.2
113.02368	17.4
115.00324	1.9
115.07547	1.9
117.01871	3.2
117.05493	34.8
129.01883	2.4
161.04477	1.7
163.02905	1.6
175.02457	2.0
177.11272	1.4
231.05162	2.5
249.06192	53.2
250.06680	2.9
267.07245	6.1
309.08334	10.3
349.11536	5.4
367.12524	100.0
368.12842	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	367.1559
Annotation	Lespeflorin G8
Peak:m/z	Relative Intensity
59.01263	4.1
61.98700	0.8
71.01273	0.8
71.42335	0.4
71.42678	0.3
73.02831	0.5
85.02858	0.6
86.09530	0.3
89.02322	0.4
99.00781	0.4
101.02351	0.6
104.60963	0.3
108.02083	1.4
109.02907	0.9
112.00323	0.5
113.02346	0.5
121.02877	4.5
123.04446	0.8
126.10640	0.3
128.69975	0.4
133.02895	1.3
135.04419	0.5
147.04471	0.6
151.03969	0.6
151.07590	1.2
152.08362	0.8
153.34464	0.4
159.04317	0.3
160.01665	0.3
160.96793	0.3
161.02394	0.7
161.04492	1.2
161.05901	0.5
173.06000	0.9
175.03947	0.7
185.06140	0.4
186.95633	0.4
187.07582	0.7
189.09152	1.2
200.02391	0.7
201.05608	1.6
201.09203	1.0
207.62444	0.3
209.15474	1.2
211.07693	0.4
215.07137	0.5
216.07872	3.1
217.08669	0.8
220.93755	0.5
223.07628	0.8
224.04840	0.4
225.05629	0.4
229.08704	0.6
235.07742	0.8
235.12001	0.5
237.05679	0.5
240.04280	1.1
249.09282	0.5
250.10101	1.0
251.07202	0.5
251.10605	0.5
252.07759	0.5
261.09326	0.6
263.07211	0.8
264.11752	0.4
265.12344	2.5
267.06799	0.5
267.10321	1.0
268.03906	1.0
268.07397	0.7
275.10748	0.5
277.08731	1.6
279.06763	2.3
280.07092	0.6
281.11923	1.9
283.09940	2.2
291.10168	0.6
293.08325	1.4
293.11868	8.2
294.09061	4.4
294.12131	0.6
295.09589	0.7
298.08530	0.6
305.08289	3.0
307.06519	0.5
307.10349	2.7
307.13623	1.0
308.10519	2.2
309.11392	32.9
309.17224	1.0
310.11691	3.2
313.14182	0.5
319.09708	0.5
320.10608	1.1
321.07922	0.6
321.11472	1.2
323.12970	0.6
324.13712	12.8
325.14111	1.3
331.15359	2.0
335.12973	2.6
336.10141	1.0
337.10876	12.7
338.11252	1.3
351.12436	4.0
352.13187	5.3
353.13409	0.4
367.15594	100.0
368.15936	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	367.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11113	2.4
57.03324	3.0
58.00459	3.6
59.01265	100.0
71.01273	44.5
71.04900	3.6
71.51973	4.2
72.99184	6.6
73.02831	11.5
74.02452	2.7
75.00759	5.0
75.67623	2.8
76.00791	2.6
83.01300	4.1
85.02842	25.4
89.02337	27.4
95.01260	4.7
99.00761	3.6
99.04408	7.5
99.20150	3.6
101.02343	33.6
113.02366	17.3
119.03410	8.0
141.89307	2.9
143.03477	3.0
145.05043	3.8
159.06458	3.2
161.04512	28.2
175.50415	3.1
179.05522	7.0
187.06107	3.3
219.49858	2.9
249.09833	12.8
252.82283	3.0
261.09851	13.5
298.77567	3.1
307.10419	48.5
367.12387	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1193
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
59.01270	2.9
61.98713	0.5
71.01262	0.6
71.59053	0.5
84.55245	0.3
85.02830	0.5
95.54788	0.3
101.02319	0.5
113.02367	0.4
121.02876	1.1
124.49353	0.3
133.02853	0.8
148.01553	0.7
149.02397	1.0
160.01604	1.2
161.04482	0.7
175.00287	1.9
181.06566	0.4
186.95558	0.5
187.99446	0.5
188.01134	7.4
189.01651	0.7
191.56340	0.3
197.06151	0.4
200.01128	3.1
201.01909	4.3
209.06238	0.4
213.01883	0.3
225.05513	1.1
227.03465	0.4
235.04063	0.5
236.04854	0.5
237.05574	0.9
241.05095	0.8
243.06647	0.8
251.03488	0.4
252.04364	0.4
253.05144	2.7
263.03708	0.3
264.04205	0.5
265.05170	1.3
267.03003	1.2
269.04623	0.9
279.02817	0.4
280.03738	0.7
281.04617	2.1
291.03067	0.6
292.03842	0.4
293.21213	1.1
296.03134	0.4
297.04065	7.8
298.04495	1.0
307.10324	1.1
308.03345	0.8
309.04105	66.1
310.04431	6.5
311.05551	0.6
312.06595	0.7
320.31699	0.3
323.05746	0.7
323.09406	0.5
333.07666	0.6
335.09192	1.0
337.07230	1.9
344.05505	1.3
351.08823	1.4
352.09573	37.9
353.09915	4.5
366.50275	0.3
367.11920	100.0
368.12286	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	367.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.6
57.03334	16.8
59.01264	20.3
62.03598	1.0
65.84598	1.1
67.67825	1.0
70.44115	1.1
71.01268	11.3
71.54545	1.4
71.54913	1.2
72.99198	9.0
73.02792	1.4
75.00745	1.6
81.93429	1.0
83.01276	8.1
84.02076	2.5
85.02839	100.0
86.03166	2.3
87.00773	2.1
89.02325	5.3
96.95867	1.3
99.00758	2.4
101.02349	4.4
103.00290	1.2
111.00780	4.0
113.02351	2.8
117.03366	1.8
123.04417	2.2
125.02409	1.6
129.01855	46.7
129.37483	1.0
132.02043	1.5
134.03653	32.6
135.04395	1.2
141.01945	1.1
147.02927	41.2
149.06004	4.2
154.99767	6.9
160.01596	22.0
161.02324	1.7
161.04443	1.9
173.00861	34.5
175.03949	34.7
176.04297	3.0
177.33156	1.0
178.02580	2.1
179.69322	1.2
188.04631	1.6
190.02737	1.1
191.01913	4.2
191.74936	1.1
193.05038	17.5
201.14156	1.0
205.12317	2.2
218.05817	2.8
231.06598	1.9
233.08203	4.4
243.06746	1.3
249.11317	1.8
255.28711	1.1
261.07709	12.4
262.07956	1.4
287.09259	1.1
291.40616	1.1
302.17996	1.4
305.06473	1.4
307.10364	2.0
307.17542	1.2
326.32465	1.1
349.05615	3.2
367.06882	11.6
367.17661	2.3
367.86133	1.3
368.07242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.6
61.79727	0.8
61.98721	1.5
69.34222	0.7
70.02637	4.3
71.01275	2.4
73.02852	1.3
84.27846	0.8
89.02361	1.1
93.03361	0.8
101.02379	2.4
118.98428	0.9
121.02895	2.4
131.01306	3.1
133.02882	1.0
148.01628	0.9
149.02434	1.2
159.04526	0.8
161.02425	1.4
161.04521	3.0
163.00282	4.2
175.00317	12.7
186.95567	1.1
197.11765	1.7
203.03587	1.7
236.49179	0.8
237.05510	0.8
253.04994	2.0
255.10320	1.2
265.05057	1.2
269.04639	2.5
269.07822	1.0
281.04663	2.8
283.02475	1.2
284.03403	2.6
297.04086	8.8
307.10434	6.1
309.04120	25.6
310.04498	3.1
312.06671	1.4
337.07245	1.0
344.05460	5.1
351.08768	1.8
352.09668	1.9
367.11945	100.0
367.15594	3.9
368.12299	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	367.1188
Annotation	Ebenfuran III
Peak:m/z	Relative Intensity
51.64243	1.3
59.01262	24.3
61.98722	2.9
69.31928	16.1
71.01277	4.1
73.02846	2.2
79.13139	1.4
83.01237	1.4
85.02836	2.6
90.23637	1.4
93.54267	1.3
95.01263	1.6
96.95884	2.6
98.19701	1.6
101.02386	2.5
105.72643	1.5
113.02366	1.7
115.47894	1.3
117.15089	1.6
121.02879	5.7
134.05605	1.4
136.11487	1.3
138.10144	1.4
145.02910	2.3
159.03094	1.4
161.04491	3.7
173.02423	9.1
179.52965	1.4
199.03990	3.1
208.16905	1.7
209.04381	2.2
215.07225	1.7
217.00313	1.8
225.05309	1.6
227.03481	3.2
237.05655	1.6
241.05072	7.3
253.05106	10.4
255.02989	1.8
256.03833	9.4
265.05099	1.7
267.10361	2.1
269.04623	31.1
270.05008	3.8
281.04654	30.5
281.07965	3.4
282.05109	2.5
283.02505	1.8
297.03989	2.0
307.10330	9.5
308.10742	1.5
309.04117	11.0
309.07761	4.0
310.04648	1.6
323.09146	2.0
323.22299	1.6
324.10098	15.9
339.12451	30.4
340.12793	2.5
367.11932	100.0
368.12326	14.3
383.40515	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	367.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32482	1.9
55.01780	2.1
57.03336	23.3
59.01275	15.3
63.04713	2.0
68.99701	2.3
69.33875	6.2
69.34291	14.9
71.01273	13.7
72.99204	18.4
75.00761	3.1
83.01282	27.3
84.02065	4.8
85.02843	98.4
87.00789	5.5
89.02342	3.5
90.55503	1.8
97.02863	3.3
99.00757	2.4
101.02342	3.0
108.02075	2.9
111.00797	10.3
113.02378	2.6
117.03379	7.3
123.04413	2.3
125.02391	5.6
129.01862	96.4
129.59721	2.1
130.02194	3.0
131.36211	2.0
132.02118	4.0
134.03664	100.0
135.04118	3.7
137.02379	7.8
147.02945	7.3
147.04472	2.5
149.06027	26.2
152.83395	1.9
154.99803	23.7
158.03659	2.9
158.28265	2.2
160.01610	23.1
161.02408	4.9
162.03171	4.8
163.03969	3.4
172.05209	2.4
173.00879	66.0
173.02367	3.3
173.05940	2.4
174.01170	4.0
174.03235	2.8
175.03947	43.6
175.11290	4.9
176.04399	2.7
178.02673	6.5
191.01965	2.1
193.05046	70.4
194.02141	2.2
194.05365	3.7
200.04774	3.6
202.06360	2.7
205.12343	23.8
207.06609	7.7
212.82338	2.1
215.07127	11.6
217.04906	2.9
217.08539	2.2
218.05876	10.5
226.06442	2.6
231.06612	2.3
233.08171	14.3
261.07739	40.9
269.08337	5.3
305.06973	2.3
307.10226	2.5
349.05753	8.2
367.06912	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	365.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03322	3.7
58.00481	2.8
59.01267	82.5
71.01273	66.9
71.59830	1.8
72.99187	4.4
73.02840	11.4
75.00797	1.3
83.01278	6.3
84.95434	1.0
85.02846	21.1
86.03162	1.1
87.00771	5.4
87.04414	1.8
89.02337	55.5
95.01290	4.0
96.95938	1.3
97.06503	2.3
99.00771	4.5
101.02348	55.5
102.02692	1.8
102.59986	0.9
104.62623	0.9
113.02369	32.2
115.03964	1.3
119.03418	23.5
125.02356	1.6
129.01947	1.4
131.03421	3.4
141.05556	1.0
143.03444	4.7
149.04460	2.5
154.01395	2.0
159.02921	3.5
161.04510	26.9
166.42267	1.1
171.66602	1.0
172.02434	1.7
179.05592	12.4
193.05087	1.3
196.48654	1.0
202.02078	1.0
203.12871	10.5
205.03514	1.2
348.07651	1.4
365.18246	100.0
366.18710	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	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.0
61.98724	0.3
62.57339	0.2
71.01277	0.5
71.62148	0.2
72.78452	0.2
75.00774	0.2
85.02867	0.4
87.00805	0.2
87.04428	0.2
96.95926	0.7
101.02420	0.3
113.02389	0.3
119.00468	0.2
127.00294	0.3
151.04677	0.3
161.04512	0.3
191.58189	0.3
208.00424	0.3
365.16037	0.4
365.20041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74191	0.6
56.97650	0.7
57.48317	0.5
59.01266	4.0
70.32207	2.8
71.01255	0.9
73.02861	1.1
73.74324	0.6
75.00757	0.8
85.02859	0.6
89.02360	0.6
93.04037	0.6
101.02383	0.6
116.04983	3.8
141.31119	0.7
160.03989	100.0
161.04350	5.2
204.03023	3.6
233.51633	0.6
313.40448	0.7
326.36542	0.6
366.08368	17.1
366.13928	0.8
366.14767	0.8
367.08636	1.7
367.12906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.1
57.03337	24.5
59.01264	27.9
61.98709	0.6
67.01776	1.0
68.99706	0.8
70.51295	2.1
71.01273	4.6
72.99189	1.1
73.02823	0.8
83.01275	3.1
84.02051	1.5
85.02842	74.2
86.03185	1.6
87.00772	1.0
88.71318	0.5
89.03865	1.4
99.00785	2.2
101.02347	3.3
103.00268	0.7
111.00779	4.5
113.02342	1.1
117.03364	4.9
118.03656	0.6
125.02328	0.6
129.01862	100.0
130.02205	2.4
134.03661	60.3
135.04027	2.2
147.02924	4.7
149.06009	4.1
160.01613	0.9
161.04424	0.8
173.00873	16.2
175.03990	1.8
178.02704	1.4
191.01918	9.8
193.05037	30.8
194.05424	2.2
221.04570	0.7
261.07779	0.8
307.04633	0.7
307.10287	1.1
307.17773	2.1
366.18600	1.1
367.06659	0.9
367.18857	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	365.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87993	0.3
59.01257	0.8
59.12418	0.4
69.33499	0.5
69.33908	2.9
79.95625	26.3
80.96406	2.3
89.11288	0.3
90.71307	0.3
114.15630	0.3
155.04971	0.4
167.05022	0.4
171.04456	2.0
183.04546	2.8
187.03984	1.6
199.03972	6.5
200.04370	0.4
211.04002	5.3
212.04393	0.5
213.01888	0.8
227.03503	8.0
228.03812	0.4
240.07751	0.3
255.03024	100.0
256.03369	8.3
270.05380	81.3
271.05743	7.4
285.07745	22.9
286.08118	2.3
350.01144	1.8
365.03421	78.2
366.03778	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	365.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62379	0.2
58.36475	0.3
58.94653	0.3
59.01271	1.9
69.32938	0.2
69.33269	3.0
72.28086	0.3
79.95628	3.2
121.02856	0.9
125.02383	0.3
137.02368	0.5
199.04131	0.3
211.03964	0.5
213.85721	0.3
227.03510	18.9
228.03786	1.4
255.03029	100.0
256.03381	7.9
256.05862	0.5
269.04575	0.4
270.05399	36.6
271.05768	3.4
285.07742	60.4
286.08127	4.6
364.21628	0.5
365.03424	35.7
366.03833	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	365.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.1
61.98724	1.4
68.88882	0.8
71.01264	0.8
81.40717	0.8
89.02354	0.9
96.95923	2.3
186.06854	3.6
195.04413	1.1
196.05240	1.1
201.02510	2.8
209.09737	2.1
214.06311	11.4
215.06615	0.9
238.09953	1.2
254.09526	8.6
255.10304	100.0
256.10651	10.8
283.09833	83.2
284.10159	7.6
294.55447	0.9
295.08362	3.2
305.07965	8.1
306.08047	1.2
337.09595	1.7
360.13199	0.9
365.09424	1.6
365.19739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57289	0.9
56.67241	0.9
59.01266	11.9
61.98715	2.6
70.43389	3.5
78.20012	0.9
80.02572	2.6
93.03357	100.0
94.03702	2.5
95.04923	12.8
96.95892	0.9
105.80839	0.9
108.02084	2.7
123.04397	1.9
156.75862	0.9
169.06503	7.7
171.08127	1.3
173.09637	2.0
176.15549	0.9
180.69284	1.0
195.08107	1.6
199.07553	1.1
201.02539	4.7
213.05536	2.9
222.06882	1.4
223.07631	7.4
247.11299	1.8
249.12849	6.3
250.06299	1.2
265.12366	8.6
266.12640	1.7
267.75238	0.9
275.10776	1.7
277.21750	4.8
278.09488	1.6
293.11911	70.8
294.12241	8.3
337.10971	16.4
338.11288	1.6
347.25891	3.7
365.27097	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	364.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	2.0
59.32716	0.3
61.43718	0.3
61.98716	100.0
85.05036	0.3
96.95989	0.4
113.23183	0.3
121.02872	1.3
145.29866	0.3
175.07733	0.3
179.52550	0.3
183.13861	0.6
206.99883	0.3
255.03094	1.1
270.05481	0.7
273.47656	0.3
274.27170	0.3
285.07825	0.6
285.32834	0.3
301.16846	0.7
317.38412	0.3
323.72391	0.4
365.03525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93197	0.4
56.87599	0.4
59.01268	4.5
61.98719	100.0
70.84070	0.4
71.01281	0.4
71.62186	0.7
79.95638	0.8
96.95924	0.8
101.02354	0.4
121.02897	0.8
132.80495	0.5
149.00143	0.4
183.13927	1.0
255.03085	0.9
304.61008	0.5
335.85831	0.4
374.51434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.09298	1.0
67.98750	1.1
69.81208	1.2
69.90794	4.1
69.91204	2.1
87.60362	1.1
97.85606	1.3
123.00775	2.5
138.03119	1.8
140.07143	1.5
140.50897	1.1
222.81641	1.1
301.17004	1.2
319.36023	1.2
353.56406	1.3
361.16458	1.2
361.27731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	1.5
62.47107	0.2
70.45673	0.7
70.46029	0.5
71.01280	0.6
73.70976	0.2
74.52114	0.3
82.02282	0.2
101.02394	0.4
113.02348	0.4
119.04950	0.4
125.47552	0.3
140.07103	78.0
141.07454	2.7
161.04482	0.5
163.03970	0.3
200.38867	0.3
204.74940	0.3
302.12585	2.5
363.16660	0.6
373.86334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1305
Annotation	Pyridaben
Peak:m/z	Relative Intensity
51.07946	1.6
51.18936	1.8
55.01772	2.5
55.57510	1.5
57.03329	6.8
57.22697	1.4
59.01265	84.6
60.01600	1.7
68.99708	2.3
69.03337	2.7
69.31096	10.1
69.31524	8.5
70.95388	1.7
71.01273	47.1
71.04919	2.5
72.99209	10.5
73.02836	5.8
75.00764	34.6
81.03348	2.9
82.02889	4.8
83.01263	2.8
85.02846	42.9
87.00777	15.7
88.01602	1.5
89.02342	14.2
95.01275	9.6
95.04943	2.3
96.95914	1.7
98.20571	3.4
99.00776	24.3
101.02352	9.2
103.00274	4.8
108.02157	2.0
109.02953	2.0
110.06046	3.0
112.11829	1.8
113.02364	58.6
113.05997	63.1
115.00320	2.6
117.01841	5.6
119.03450	2.5
129.01881	3.3
136.04008	3.4
139.11185	1.9
149.02483	2.2
150.03171	3.3
164.03511	3.2
165.05493	4.2
175.02449	4.9
179.10805	2.1
183.10181	8.5
194.04443	1.8
196.06079	2.7
205.07198	3.6
231.05164	4.6
249.06203	42.9
250.06563	2.5
267.07260	90.5
268.07574	7.1
287.10400	10.6
301.37469	1.8
305.60556	1.6
331.09427	6.2
345.11734	1.8
363.13031	100.0
363.16925	14.1
363.23773	19.3
364.13568	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	363.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.2
59.01262	100.0
60.01604	1.0
66.20676	0.2
69.54649	0.5
69.55064	1.3
71.01270	0.9
73.02849	0.4
85.02848	0.5
87.04434	0.2
89.02363	0.7
101.02364	1.0
113.02372	0.9
119.03449	0.4
140.36961	0.2
160.14217	0.2
161.04480	0.4
166.49574	0.2
179.05502	0.2
244.52740	0.3
309.63522	0.2
363.17017	0.5
363.24606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1666
Annotation	Sauriol A
Peak:m/z	Relative Intensity
59.01267	8.8
66.29760	0.4
70.16920	0.4
70.30315	0.4
71.01260	2.2
71.20943	1.2
73.02840	0.8
74.42532	0.4
77.18445	0.4
81.22547	0.4
82.88186	0.4
85.02828	1.5
87.00787	0.5
89.02303	0.6
93.03374	3.3
96.95908	0.4
101.02323	1.4
108.02055	0.7
109.02149	0.6
109.02863	8.3
111.00800	0.5
111.04364	0.5
113.02323	0.5
117.03362	1.0
119.04916	0.9
121.02879	30.1
122.03668	19.3
123.00777	0.7
123.04523	2.4
124.01607	2.7
129.03371	1.7
134.03653	1.8
135.04457	2.7
136.01598	1.0
136.05193	2.0
137.02386	5.9
138.03180	0.5
146.03641	2.4
147.04468	12.7
148.05252	1.1
149.05998	2.4
150.03116	0.9
153.01831	0.9
154.02667	3.9
159.04398	0.6
160.05223	0.4
161.04855	0.5
161.06041	4.0
162.06622	0.7
163.03903	0.7
164.04724	0.9
165.05531	38.2
166.05818	1.7
168.04175	0.8
177.05487	0.5
177.07184	0.4
178.06226	0.9
179.07100	14.2
180.07425	0.9
191.07065	0.8
193.08510	0.5
199.13342	1.2
209.08116	1.6
209.11829	4.6
223.09702	1.3
228.04254	1.8
251.37253	0.4
287.77704	0.4
288.06213	0.6
298.12030	1.0
301.10818	1.0
313.14386	1.3
315.12448	3.7
316.13052	1.3
331.15311	0.8
346.14276	11.1
347.14563	0.9
361.09219	4.7
361.16571	100.0
361.59457	1.8
362.16925	12.9
382.02292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01173	5.7
59.96845	0.6
71.01170	3.3
71.59973	1.4
73.02759	1.2
85.02781	1.4
89.02219	2.1
91.94452	0.8
95.04821	1.2
99.00701	1.6
101.02242	2.1
110.06036	3.5
113.02255	1.5
116.04923	0.8
118.06441	1.1
119.03505	1.0
120.04387	1.7
121.05171	1.2
122.06049	15.0
124.03886	1.1
131.03563	1.5
132.04364	2.4
134.05957	1.7
144.04498	3.8
145.05280	13.8
146.02251	0.9
146.06088	8.5
147.03094	1.5
148.04039	3.3
150.01752	1.2
150.05530	0.9
152.03395	1.4
155.10629	1.2
159.03192	5.6
160.03989	49.4
161.04770	19.1
162.05347	2.8
162.06633	0.7
164.03331	1.9
174.01724	1.0
175.02675	1.7
176.03493	10.4
177.04271	9.6
178.04953	0.9
181.08612	1.1
186.09058	1.1
188.03479	3.7
189.04289	74.3
190.04895	5.9
192.03021	3.4
193.03769	17.7
194.04021	0.9
199.09711	1.6
203.05745	3.1
212.10666	1.0
220.02510	0.9
220.06071	1.3
221.03371	19.2
221.06906	23.7
222.07317	1.4
227.11671	1.1
231.11310	2.8
240.04250	2.8
243.11482	6.2
253.05949	8.5
255.06963	0.9
255.11470	19.5
256.11716	1.6
267.11435	30.5
268.11694	3.3
271.10974	0.9
278.11053	0.7
283.06238	1.1
283.10886	2.3
285.12515	5.3
298.08478	2.7
299.10413	16.9
300.10669	1.8
311.10428	38.7
312.10812	3.3
313.10910	4.0
314.10672	0.8
317.11108	0.9
329.11441	14.9
330.11905	1.5
331.13077	23.1
332.13403	1.9
343.13043	100.0
344.13379	9.6
361.10196	3.4
361.14191	35.4
362.14532	3.6
381.42737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87683	0.2
59.01267	3.7
60.63100	0.3
61.08778	0.2
61.98718	100.0
70.96831	0.6
70.97163	0.3
71.01260	0.4
85.02798	0.3
89.66821	0.3
136.06171	0.3
138.05544	0.5
177.57477	0.3
217.00377	0.3
226.63751	0.3
300.11252	0.3
359.28113	1.0
360.28470	0.7
361.16870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10862	0.6
59.01263	10.6
60.12322	0.6
68.99705	1.0
70.99055	1.5
70.99389	1.2
71.01271	1.5
73.02839	0.7
73.78888	0.7
85.02870	0.8
89.02304	0.7
95.04908	1.3
97.97940	0.7
99.00785	1.4
101.02335	1.1
110.06013	3.9
112.17694	0.7
116.04972	1.4
116.55758	0.7
118.06567	1.4
120.04491	1.3
121.05251	1.6
122.06033	14.7
122.41351	0.7
123.06403	0.7
124.04000	1.1
131.03609	0.9
132.04474	2.1
134.06044	0.9
138.05502	1.6
139.00296	0.7
139.05852	3.0
144.04474	3.4
145.05278	12.3
146.06059	7.2
147.03154	1.3
148.04021	3.6
152.03477	2.0
153.01918	0.7
159.03194	3.4
160.03989	47.8
161.04781	22.0
162.05421	2.8
164.03516	1.3
173.15872	0.7
175.02647	1.0
176.03481	11.2
177.04280	9.3
178.04802	1.1
181.01360	1.6
185.11765	1.8
188.03520	3.9
189.04294	65.5
190.04808	5.3
192.02995	4.0
193.03802	14.7
194.04149	0.9
198.01454	0.9
199.09828	1.5
200.13496	0.8
201.11230	0.9
203.05861	2.1
204.03154	0.7
212.11026	0.7
220.06076	1.6
221.03352	16.7
221.06886	19.5
222.03606	1.1
222.07243	1.1
229.10832	7.3
231.11447	2.9
243.11417	5.1
253.05946	7.8
255.11456	13.6
256.11792	1.6
267.11447	32.3
268.11737	2.5
271.11002	1.6
283.10913	2.0
285.12515	3.8
299.10464	12.7
300.10745	1.0
311.10443	36.0
312.10754	2.8
327.54105	0.8
329.11484	14.1
331.13089	20.6
332.13641	1.6
343.13062	100.0
344.13400	8.2
361.07495	1.6
361.09534	1.0
361.14145	32.0
361.22113	4.7
362.14572	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74847	0.4
57.03339	3.6
59.01267	93.8
59.74883	0.4
60.01604	0.7
61.98714	1.3
63.98776	0.4
71.01297	0.5
71.04938	0.6
71.52623	0.7
72.16862	0.4
85.02844	0.4
85.06494	0.5
108.66447	0.4
113.09642	0.5
130.08684	1.5
137.06049	1.0
138.05595	0.4
147.04433	0.5
150.05658	0.5
159.04510	0.6
173.05905	0.5
174.99243	1.1
175.04268	0.4
189.05623	0.4
194.92778	1.0
194.95593	0.5
201.02556	1.8
202.02820	0.6
211.13315	0.5
211.17012	0.8
213.18549	3.4
214.02748	0.8
216.07864	0.4
217.00301	4.7
241.11919	0.5
242.02415	0.6
258.08411	0.5
270.01944	0.4
276.93262	0.7
279.23337	0.6
283.06192	1.3
284.06519	1.0
285.04092	1.6
297.24258	1.0
299.25995	12.5
300.06436	0.7
300.26337	1.3
323.20474	0.6
341.17749	0.6
358.59616	1.0
359.19113	2.7
359.28101	100.0
360.28458	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	359.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75792	0.4
57.03346	1.2
59.01266	77.4
60.01608	0.6
61.98717	1.9
69.34053	3.7
69.34475	1.1
71.01276	0.8
87.00763	0.5
87.62493	0.5
92.11510	0.4
93.54697	0.5
95.00815	0.4
97.06483	1.1
98.20142	2.0
101.02354	0.4
113.36664	0.4
121.02866	3.4
122.03223	1.7
123.03401	0.6
135.04407	0.7
137.06039	1.0
137.74199	0.4
138.05510	0.5
143.30893	0.4
149.06107	0.8
150.70663	0.4
153.01889	0.5
155.14432	0.5
173.06006	0.7
182.24226	0.5
185.15459	1.2
199.17023	0.4
201.02516	0.5
211.17029	0.7
213.18610	1.7
217.00362	1.2
223.07539	0.4
243.19756	0.9
279.23337	1.8
297.24408	0.8
299.26010	10.2
300.26294	0.6
329.09204	0.6
341.27032	1.1
344.11823	0.9
357.26563	0.6
359.06680	2.3
359.14728	1.4
359.28116	100.0
360.28415	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	360.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.4
60.01583	0.4
61.98714	100.0
71.60886	0.5
91.41027	0.2
111.81763	0.3
138.05531	0.5
181.59532	0.3
197.05937	0.4
217.00293	0.5
269.04639	0.7
284.07059	1.0
359.28027	1.2
360.28476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	23.8
65.94816	0.6
71.28098	0.5
98.19772	1.3
101.81868	0.6
143.02701	0.6
158.19388	0.5
202.77225	0.6
276.73773	0.6
277.21786	100.0
278.22116	8.8
359.22134	24.7
360.22488	2.2
369.27927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33855	0.2
52.95049	0.3
55.10376	0.3
57.03338	3.5
59.01268	3.2
59.61810	0.2
61.98706	0.7
69.03324	0.3
71.01284	0.3
71.55537	0.4
73.02834	0.3
75.13940	0.2
87.00777	0.3
101.38969	0.3
105.95398	0.3
125.43125	0.3
128.71338	0.3
138.05585	0.3
143.84076	0.3
164.81841	0.3
165.12749	0.3
168.80736	0.3
183.13887	1.5
190.39078	0.3
211.20857	0.3
217.00258	0.8
227.12910	1.2
251.23897	0.9
253.21761	4.8
254.22169	0.5
269.24887	0.8
313.23947	1.9
341.26984	0.5
359.28094	100.0
360.28458	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	359.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01264	87.0
59.43486	0.5
60.01593	1.1
61.98717	5.6
64.92041	0.6
71.04898	1.3
71.27677	1.1
71.28010	0.6
99.08076	1.2
113.09644	0.7
123.08096	0.6
127.11192	8.0
137.06009	1.0
155.53641	0.6
157.12263	1.2
181.15944	1.6
181.84982	0.5
185.15485	1.0
201.02567	0.9
216.07893	0.5
217.00291	4.0
245.11998	0.7
277.14496	0.6
279.23291	1.0
299.25970	12.3
300.26407	1.3
315.65842	0.6
359.28094	100.0
360.28427	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	359.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16011	0.5
57.03321	1.5
59.01264	63.4
60.01591	0.6
61.98714	1.8
67.83488	0.6
69.36635	5.5
97.06469	0.7
98.19772	1.0
108.33235	0.5
121.02847	1.9
122.03249	0.7
123.03405	0.7
129.03621	0.6
137.06003	1.2
138.05576	0.9
141.12749	0.7
145.75134	0.6
180.40962	0.6
185.15425	1.0
213.18542	1.0
217.00282	2.5
219.12787	0.6
279.23373	1.5
299.25925	8.3
300.26117	0.6
341.26587	1.1
359.07043	1.6
359.28091	100.0
360.28421	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1873
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
50.94033	1.0
59.01263	22.9
61.86584	0.8
61.98713	4.4
71.62357	1.2
74.39790	0.9
87.78545	1.0
96.95966	1.5
97.10128	0.8
105.05960	1.0
119.25865	0.8
121.02786	1.1
122.03683	1.5
123.83273	1.0
135.04413	1.1
137.06018	2.3
138.05519	1.1
146.03679	1.2
148.05240	11.9
152.91661	1.3
161.05994	4.6
162.06813	25.1
163.07237	1.8
164.08401	0.9
174.99181	4.1
175.00592	1.2
175.07573	1.9
176.04750	3.4
188.08403	4.4
189.05470	1.1
190.06308	3.3
194.92751	3.0
194.95554	2.0
201.02516	2.9
207.41753	1.0
211.13452	2.3
217.00294	15.0
257.15524	20.1
258.15924	2.3
276.93216	1.8
285.14636	0.9
285.18597	2.7
287.20135	2.6
313.18149	59.7
314.18500	5.7
331.19232	23.2
332.19449	3.1
341.17636	5.8
359.18707	100.0
360.10083	1.2
360.19058	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1874
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
51.28288	0.6
59.01266	18.0
61.98705	2.9
70.44939	2.3
71.01260	0.8
75.66525	0.6
86.51705	0.6
121.02850	0.7
122.03671	1.0
135.04471	0.9
137.06021	1.6
138.05592	0.9
142.06575	0.8
146.03682	1.7
147.04475	1.2
148.05238	11.4
152.91751	1.4
159.04488	0.8
161.06020	5.9
162.06818	27.1
163.07281	1.3
164.04703	1.6
173.06050	0.8
174.99232	2.6
175.07555	0.9
176.04758	2.9
188.08411	3.6
189.09000	1.0
190.06325	2.6
194.05896	0.9
194.92830	1.9
194.95586	1.4
201.02531	2.6
211.13377	2.9
217.00337	10.4
257.15524	21.0
258.15863	2.4
276.93140	1.4
285.18646	1.9
287.20279	2.6
295.16791	0.9
297.18677	0.9
313.18161	54.4
314.18521	5.3
331.19220	22.2
332.19562	2.5
341.17593	6.3
359.18707	100.0
359.28116	2.9
360.19031	12.2
383.97009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68679	0.2
57.03340	1.0
59.01271	2.2
61.98706	0.3
63.40295	0.2
69.03365	0.4
71.01292	0.9
71.04927	0.3
71.62935	0.2
71.63321	0.2
73.02826	1.1
78.17706	0.2
87.00733	0.2
88.07318	0.2
89.02340	1.9
110.77774	0.2
111.08067	1.8
113.03448	0.2
125.86156	0.2
131.03421	0.9
131.49623	0.2
143.10649	0.2
149.04507	10.2
152.64084	0.2
165.12817	26.9
166.13156	1.5
169.08536	0.2
181.12329	0.4
183.13889	100.0
184.14218	6.4
191.10901	0.4
198.14973	0.6
209.11798	1.7
225.11340	0.3
227.12906	85.1
228.13254	5.6
241.09753	0.3
241.16431	0.2
242.13974	0.4
249.11128	0.7
252.96788	0.2
287.22260	0.2
301.16635	0.7
319.05515	0.2
359.12741	0.9
359.17172	15.5
359.28024	3.3
360.17444	2.4
360.28473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1872
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
51.18976	0.3
59.01262	2.2
65.98035	0.3
69.03345	0.6
69.46395	3.0
80.53396	0.4
82.57153	0.3
94.24100	0.4
95.04869	0.4
105.03379	0.5
119.04910	0.8
122.03657	0.4
122.50606	0.3
127.64924	0.3
130.04120	0.4
135.04424	1.2
143.04968	0.6
145.06514	1.2
146.03690	1.9
147.04449	17.8
148.05255	9.3
149.05992	0.4
155.04994	0.8
158.03720	0.6
159.04463	17.9
160.05209	2.1
161.06027	8.0
162.06546	0.6
172.05225	5.0
173.06032	32.4
174.03177	3.1
174.04437	0.4
174.05069	0.5
174.06706	4.4
175.03973	5.7
175.07478	1.0
176.04675	0.6
183.04543	0.4
183.13837	1.4
184.05341	0.3
185.06001	2.2
186.06793	2.5
187.03987	4.5
187.07603	9.4
188.08296	1.7
189.05551	17.6
190.05971	1.1
193.12421	0.4
197.06041	0.5
199.07629	1.3
200.04808	0.4
200.08392	1.1
201.02635	0.6
201.05557	9.1
201.09154	1.4
202.05994	0.7
203.10873	0.4
211.13377	19.6
212.13724	1.1
215.07147	3.5
216.07919	26.4
217.00381	1.0
217.08279	1.5
231.13884	0.7
238.09428	0.4
241.12375	0.8
256.14917	0.5
257.15610	0.6
268.11130	0.5
271.13412	0.6
271.17111	0.4
275.12924	0.5
283.13336	0.8
285.07831	0.7
285.15091	2.2
289.14758	0.9
297.15039	12.1
298.15356	1.4
300.13708	8.0
301.14230	1.6
311.16785	0.5
312.13800	0.4
313.18121	1.6
315.16077	4.8
316.16339	0.6
317.13876	1.4
318.14786	5.5
323.16553	3.3
324.16766	0.4
330.14664	0.5
341.13391	0.8
341.17648	21.9
342.17896	2.2
359.18701	100.0
360.19028	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59535	0.6
59.01267	4.0
59.65972	0.6
61.98730	0.9
63.09341	0.5
69.73669	4.2
71.01261	1.3
73.02790	0.6
77.03429	0.5
79.60371	0.7
85.99991	0.7
87.00781	2.7
88.20139	0.5
93.06949	0.6
98.20538	1.1
101.02357	0.8
107.04951	1.4
108.02065	2.2
109.02866	0.8
113.02399	0.6
121.02856	2.3
121.06509	2.0
122.03618	0.9
123.04460	4.0
123.14042	0.6
135.04449	25.1
136.04797	1.1
137.02400	0.9
149.02379	1.2
149.06012	9.2
150.03165	7.6
150.06354	0.6
151.03879	0.7
163.03951	2.4
164.04810	1.0
165.05568	4.1
166.02702	0.7
166.06313	0.5
179.03532	0.7
179.05499	1.1
179.07095	25.5
180.07884	60.4
181.08272	3.3
182.05782	1.5
192.07843	0.8
194.05801	4.6
194.09480	3.6
195.06444	0.7
195.10275	7.1
203.23135	0.6
208.07381	14.0
208.09256	0.9
209.07713	1.0
212.06850	3.1
221.08138	0.7
222.08965	2.0
223.09763	100.0
224.10085	5.8
226.08488	5.8
229.18050	1.2
235.09785	1.6
269.08286	2.8
270.08786	0.7
283.09875	2.6
295.09720	0.6
299.09344	2.3
300.10080	1.8
300.55219	0.6
311.09326	2.4
311.19339	0.6
314.11639	1.4
315.12405	1.7
316.13211	2.1
326.11664	3.4
329.10406	1.0
329.14005	4.1
331.15509	3.9
341.13760	3.3
342.14215	0.7
344.12918	0.7
359.08075	0.9
359.15109	14.7
359.20319	0.9
359.24420	0.9
359.28101	0.9
360.15442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1356
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01268	41.6
59.81141	0.6
63.19884	0.6
69.60664	5.0
71.01273	1.9
75.00767	1.3
89.02322	1.2
98.20534	1.1
101.02355	1.2
107.04941	21.0
108.05269	0.6
113.02360	1.0
119.03583	0.9
119.04945	21.2
120.05272	0.9
121.02873	0.9
135.04456	2.6
137.06018	100.0
137.97064	0.6
138.01901	4.7
138.06378	3.7
147.57867	0.6
178.53011	0.6
180.70634	0.7
182.02174	0.6
182.05856	3.2
195.06505	0.7
197.04602	1.1
197.08223	3.9
359.09604	0.9
359.13562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01585	1.1
64.87038	0.8
65.06741	0.8
68.95403	0.7
69.60532	0.9
69.95590	4.9
70.17072	0.9
71.01275	5.5
73.02838	2.3
85.02837	2.2
89.02321	1.1
99.00751	0.9
101.02341	3.4
108.53954	0.8
113.02328	2.0
119.04931	1.5
123.00803	5.3
137.06012	59.5
138.03159	8.0
138.06345	2.1
153.05527	4.3
161.04495	11.3
166.99774	2.1
182.02190	7.3
197.04539	21.2
198.04820	1.1
205.73560	0.9
299.11435	2.4
359.09781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	10.1
63.33463	1.4
68.91492	1.4
70.54825	1.0
71.62666	1.9
95.01276	7.9
106.04124	2.6
108.02052	2.3
109.02856	14.5
115.43195	1.3
121.02877	20.4
122.03682	8.2
123.00759	1.6
137.02374	3.7
147.04445	2.9
148.05229	3.6
150.03172	100.0
151.03505	2.6
160.03987	4.5
211.13403	12.7
217.00262	3.8
358.10809	5.3
359.18799	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	358.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87618	0.4
59.01261	4.0
62.64528	0.3
69.39385	1.9
69.39816	1.5
71.01269	1.6
85.02859	1.7
89.02345	0.7
90.44828	0.3
96.95888	0.7
98.19801	0.8
101.02378	1.0
102.30725	0.4
108.08099	100.0
109.02865	1.0
109.08439	5.1
113.02368	2.2
117.05736	0.5
119.03592	0.4
120.08102	2.8
124.03982	0.9
130.06627	0.5
132.08130	1.5
134.05989	0.4
135.04445	0.4
136.07576	0.6
147.03262	0.5
148.07611	1.8
151.03961	0.7
152.07112	75.5
153.01863	0.4
153.05534	0.4
153.07452	2.9
164.07205	0.8
165.05432	0.4
166.08678	17.4
167.09052	0.8
173.05910	0.4
176.07053	1.1
194.08221	7.4
195.08481	0.6
196.06131	57.0
197.06413	2.4
199.98116	0.4
216.08241	0.4
223.09743	0.7
238.07234	8.6
239.07635	0.5
241.05078	0.8
243.07814	0.5
255.06647	0.6
268.08170	0.5
280.08218	0.5
298.09384	6.5
299.09665	0.9
313.11115	0.6
344.12735	1.8
348.66306	0.4
358.11462	10.8
359.08185	0.6
359.15094	3.8
359.20874	0.5
370.08890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01254	6.7
65.00199	1.8
67.01792	2.5
68.99696	2.9
70.72990	4.7
71.01299	3.3
83.01292	13.4
91.73166	1.5
96.48447	1.4
109.02872	9.1
120.48327	1.4
122.17505	1.7
123.00827	2.7
125.02377	39.9
126.02665	1.8
134.04662	2.0
135.04433	6.3
137.06009	2.3
138.03159	3.2
149.02402	4.9
151.00316	15.2
151.74194	1.4
153.01892	100.0
154.02155	2.8
167.03398	2.3
178.99834	5.0
195.03003	2.1
197.04538	6.5
315.07330	5.9
359.06265	9.5
377.90356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0781
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
50.98832	0.4
59.01262	8.0
61.98708	0.9
71.09122	1.0
73.02807	0.5
83.01300	0.5
107.01283	5.8
131.04933	0.8
137.06064	0.6
145.02885	0.7
147.04495	1.1
152.33578	0.4
155.04918	0.5
164.09583	0.4
167.04985	1.1
169.06569	1.8
171.04524	0.6
172.05251	0.7
173.02477	0.6
174.03265	0.6
174.99191	1.0
175.03970	3.0
179.05023	0.8
180.05708	0.7
181.06514	0.9
182.03683	1.5
183.04504	5.2
183.08170	0.5
184.05232	1.4
185.06087	2.4
186.03146	0.6
186.06779	0.5
194.92731	1.1
195.04506	2.1
196.05313	2.8
197.02426	1.1
197.06035	5.6
198.03233	1.9
198.06758	2.8
199.03909	1.9
199.07581	1.2
200.01146	0.6
201.02405	0.9
201.05537	1.5
203.03227	0.4
207.04517	1.3
207.06621	3.0
208.05220	1.0
209.06049	1.7
210.03391	0.6
211.04008	5.9
211.07565	1.3
212.04787	9.9
213.01903	1.3
213.05518	4.6
214.02768	2.5
214.06296	1.8
215.03343	1.3
217.00345	4.6
217.04906	0.4
223.03999	2.7
224.04750	2.7
225.02145	2.3
225.05580	12.1
226.06329	3.4
227.03503	2.1
227.07082	4.3
228.07883	1.6
229.05087	1.3
235.04021	2.4
238.02759	1.1
239.03545	3.8
239.07164	5.0
240.04253	4.0
240.07591	0.7
241.05005	4.1
241.08752	1.1
242.05933	3.3
244.03831	0.7
246.01811	0.6
251.03525	1.6
253.01530	2.3
253.05069	6.0
254.05739	0.5
255.06636	3.2
256.07370	5.0
257.04593	1.9
257.08167	1.7
259.06079	0.6
267.03226	2.4
267.06555	2.2
268.03900	2.4
269.00873	0.6
269.04443	1.3
270.05331	1.8
271.09836	1.1
272.06952	1.8
276.93289	0.7
283.06177	9.2
284.03342	4.6
284.06583	2.3
285.04297	1.8
285.07727	49.5
286.08121	3.6
295.02493	0.7
299.05692	1.4
300.06473	3.8
315.08817	28.1
316.09216	2.4
327.05209	1.4
337.10840	0.7
358.26843	0.6
358.59872	1.2
359.07788	100.0
359.28079	5.4
360.08154	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	357.2655
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03338	1.7
58.94300	0.1
59.01258	1.1
69.03292	0.2
69.37244	0.3
69.37652	1.7
71.04896	0.3
74.17632	0.2
76.99572	0.2
123.47876	0.2
265.21857	0.3
267.23358	3.0
283.26538	0.3
297.24356	0.7
309.24402	0.6
321.24670	0.2
327.25461	11.2
328.25748	1.2
339.25381	2.5
340.25824	0.3
355.24921	0.7
357.26523	100.0
358.26880	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2654
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03339	0.7
59.01266	100.0
60.01601	1.0
60.30805	0.3
61.98725	1.2
67.41738	0.3
69.37019	2.4
69.37435	1.3
71.01265	0.5
71.04922	0.4
73.02844	0.6
76.08508	0.3
78.49849	0.4
82.40882	0.3
85.06485	1.0
85.50993	0.4
86.30280	0.4
101.02359	0.5
111.08042	1.2
121.02882	5.2
123.08080	0.4
136.54654	0.4
145.58324	0.4
168.17528	0.3
200.38081	0.4
211.44980	0.4
213.18590	1.0
221.08223	0.9
225.18604	0.6
248.63527	0.4
266.02094	0.4
273.65976	0.4
279.23343	10.0
280.23764	1.3
297.21259	0.5
297.24414	3.0
313.07172	0.7
357.06204	1.6
357.26535	86.3
358.06235	0.4
358.26868	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	357.2655
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03337	2.1
59.01264	3.0
61.98720	1.1
70.77149	0.3
71.01272	0.3
71.60718	0.3
73.02848	0.3
81.28324	0.2
93.03384	0.4
108.02068	0.6
109.02862	1.0
109.06528	0.3
121.02871	2.8
123.04427	1.1
135.04474	0.7
136.01518	0.2
139.03955	0.7
149.02388	3.1
161.02390	0.4
161.87717	0.3
174.03275	0.3
176.85706	0.3
177.09175	3.4
217.08676	0.4
221.08290	0.3
237.22284	0.4
239.07144	0.3
267.23373	2.9
268.23419	0.3
269.25006	0.3
297.11981	0.5
297.24356	0.8
309.24380	0.9
327.05502	0.2
327.12442	7.0
327.25452	12.1
328.12759	0.7
328.25830	1.2
339.12436	3.7
339.25400	2.3
340.12823	0.4
340.25528	0.3
342.07434	0.5
355.24902	0.7
357.06158	1.0
357.26526	100.0
358.26874	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	357.2654
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.80414	0.5
57.03331	1.0
59.01265	100.0
60.01611	1.4
61.98721	1.1
68.36436	0.5
69.33881	2.5
69.34310	2.2
71.01285	0.7
89.02297	0.5
90.82245	0.5
101.02380	0.7
102.39828	0.5
109.02866	1.1
111.08104	0.7
116.73589	0.7
121.02895	4.5
125.02407	0.9
135.04446	1.0
141.23808	0.5
149.35107	0.5
160.19453	0.5
162.24811	0.5
165.27701	0.5
165.87392	0.6
175.07669	0.7
181.06673	0.5
192.95853	1.7
195.06555	0.5
211.16931	0.6
213.18669	1.6
231.13998	0.6
247.81308	0.5
279.23352	8.3
280.23703	0.6
297.11932	1.7
297.24442	2.8
357.06326	1.0
357.17328	3.7
357.26529	84.5
358.26868	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	357.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01266	82.3
60.01595	1.8
61.98721	1.4
70.62271	3.0
71.01278	1.3
89.02351	1.1
109.02852	1.7
119.03432	1.1
119.52492	1.1
121.02859	9.0
124.08251	1.0
137.02399	5.7
160.77989	1.0
163.00856	2.2
165.01891	6.4
177.03784	1.2
191.10774	1.1
192.95836	3.7
193.95706	1.0
202.03275	1.3
203.04033	1.6
204.04900	11.7
204.12872	1.0
232.05679	1.1
241.17839	1.1
247.05447	2.5
279.23367	7.4
285.00705	2.8
297.11987	2.5
297.24338	3.6
303.01297	1.7
319.07645	8.0
320.08115	1.5
321.64651	1.1
327.25543	7.8
339.25540	9.4
340.25656	1.6
357.02667	19.1
357.07031	2.7
357.26535	100.0
358.03049	2.7
358.09415	1.8
358.26898	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	357.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	42.7
61.98720	4.7
69.96661	14.0
71.01273	33.3
72.69217	2.3
72.99218	3.4
73.02834	4.7
76.06725	2.4
84.63793	2.1
85.02842	5.8
87.00773	3.6
89.02338	36.5
95.01258	3.5
98.20505	4.5
98.63192	2.1
101.02332	21.5
108.02077	3.0
113.02376	14.0
119.03415	14.5
123.04412	6.7
131.03358	2.8
134.42560	2.5
135.06578	14.9
143.03459	5.3
149.04518	3.2
153.05519	3.5
161.04492	7.5
179.05565	15.1
213.97551	2.3
218.46153	2.5
297.11938	100.0
298.12274	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	357.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33251	0.4
59.01271	3.2
61.15805	0.5
70.15177	1.3
70.15597	0.8
71.01255	0.7
71.16570	0.5
73.26998	0.4
75.00764	0.7
89.02351	0.6
92.48156	0.5
93.03321	0.6
95.04929	1.1
108.02089	0.6
115.92854	0.4
121.02872	0.6
122.03677	0.8
122.38829	0.5
123.04443	80.8
124.04745	2.5
135.04453	1.4
137.02403	0.9
150.03354	0.4
151.03957	4.9
152.07095	0.7
153.05519	100.0
154.05875	4.2
162.03235	0.7
177.05466	1.2
180.04218	0.8
195.06599	5.1
196.06976	0.4
210.09306	0.4
233.63457	0.4
357.11646	1.9
379.81265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29441	0.4
59.01266	17.2
61.79824	0.5
65.35066	0.3
67.03697	0.4
68.40446	0.4
71.01280	1.4
71.22908	0.9
71.23264	0.4
72.35503	0.4
85.02835	0.7
89.02320	0.7
101.02328	1.0
108.02077	1.4
113.02325	0.6
119.04944	1.4
121.02896	2.1
123.04459	2.5
124.01600	1.4
125.02379	0.5
133.06575	0.5
134.03694	0.4
135.04462	7.9
136.04163	0.5
136.05241	9.7
137.05565	0.6
145.47839	0.4
150.03156	0.7
151.03983	2.4
151.07573	2.4
155.68336	0.4
161.04558	0.4
164.03403	0.5
177.05539	0.5
180.04271	0.4
195.06622	100.0
196.06944	6.3
226.89838	0.4
269.11249	0.5
294.72006	0.5
357.12076	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	357.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	55.0
61.98707	7.4
62.15767	1.3
69.95500	4.9
71.01279	3.4
71.04880	1.6
76.20300	1.3
85.02867	1.7
89.02316	1.4
96.95891	1.3
98.20441	1.6
101.02371	1.9
109.02863	24.2
113.02324	1.7
121.02878	17.7
123.04414	1.8
126.33573	1.2
135.04427	4.5
147.04454	4.1
148.05301	1.6
149.05998	4.3
153.12857	1.1
159.04460	3.4
161.06041	3.2
173.06058	1.9
175.07649	3.2
187.07597	5.5
196.97681	1.3
207.51859	1.2
253.05173	2.2
267.06555	6.4
268.07156	1.3
269.08099	2.2
279.23383	5.8
297.11398	100.0
297.24390	2.8
298.11737	11.8
313.06924	1.8
357.06201	4.7
357.13370	3.4
357.19571	2.8
357.26535	55.7
358.26920	4.6
378.23502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01268	35.5
61.98717	9.9
71.01262	2.4
71.60783	2.3
109.02871	7.9
121.02872	20.4
134.03662	1.3
135.04439	42.6
143.05064	1.8
146.03647	2.8
149.06032	13.5
156.27374	1.5
157.81029	1.4
159.04445	6.6
161.04645	1.9
161.06018	32.8
162.06348	3.0
163.89909	1.4
171.21536	1.4
175.07608	3.6
180.34262	1.3
181.06422	1.5
192.95827	2.8
225.05539	2.0
230.22870	1.5
245.11819	1.6
267.06525	2.3
297.11374	100.0
298.11728	11.2
328.21066	1.4
357.06467	7.4
357.13416	3.0
357.26526	31.9
358.06314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
61.98714	0.5
69.34177	3.2
71.01263	0.3
107.03676	0.3
108.04459	100.0
109.04803	2.8
122.16398	0.3
123.04430	0.7
124.77354	0.3
132.04483	0.6
135.03966	0.3
149.06143	0.3
150.05542	68.7
151.05902	2.6
153.05533	1.0
189.32565	0.3
193.05115	0.5
195.06523	0.4
243.06847	0.3
356.10526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55469	0.4
59.01263	4.9
61.98717	100.0
69.06860	0.5
71.01279	0.7
98.20687	0.6
121.02847	2.3
125.02368	0.8
125.09698	0.8
133.02864	0.5
149.09651	0.8
161.02455	2.4
162.02823	1.4
192.95929	0.7
193.08662	3.4
194.09039	5.6
207.96323	0.5
230.36369	0.6
230.53438	0.5
242.82877	0.5
260.10767	0.7
297.12097	0.5
310.42346	0.5
356.12195	4.4
356.19839	1.1
356.25052	0.8
357.06552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0987
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.01221	0.3
59.01247	0.7
65.00203	0.6
71.01282	0.6
71.47168	0.9
72.28436	0.4
73.47079	0.4
91.01762	2.2
93.03348	3.5
96.99208	3.2
101.02341	0.4
108.02084	1.4
109.02908	0.4
110.03697	0.4
117.03385	1.1
119.04189	0.7
119.04948	7.0
121.02843	0.6
123.04436	5.8
130.04134	0.6
131.04944	1.5
133.02869	1.9
134.03656	9.7
143.04964	6.6
145.02893	2.0
146.03651	2.8
147.04391	1.0
148.01588	0.6
148.05205	0.7
149.05984	0.8
150.50885	0.4
152.07108	0.4
158.03654	2.0
159.04463	4.5
160.01660	0.6
161.06003	1.6
163.03964	4.5
173.06058	1.9
174.03221	0.7
175.03981	0.6
178.02704	1.0
186.27750	0.4
187.03979	0.7
193.05029	2.8
226.06418	1.8
235.07646	0.7
238.06323	0.5
241.08714	2.0
250.06308	0.6
251.07152	12.4
252.07861	4.8
253.08685	3.5
254.09488	2.3
263.07162	0.7
265.08780	0.8
267.10263	1.2
274.33902	0.5
279.06674	4.4
280.07468	8.6
281.07755	0.6
295.09811	8.9
296.10291	0.5
313.10901	1.5
324.06369	1.5
339.08783	4.6
341.16940	0.4
357.09854	100.0
358.10202	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	357.0988
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
58.97466	0.3
65.00196	0.5
91.01793	2.8
93.03357	6.6
96.99213	6.5
97.40604	0.3
98.19785	0.9
98.86435	0.4
106.04178	0.6
108.02064	1.7
109.02877	0.4
111.00839	0.3
117.03373	1.2
119.04945	11.4
120.05313	0.4
121.02848	0.4
123.04440	9.0
124.04723	0.6
130.04164	0.9
131.04936	2.2
133.02881	2.4
134.03653	11.9
135.04266	0.5
137.02351	0.7
143.04962	9.7
144.05331	0.7
145.02910	2.4
146.03653	4.0
147.04462	1.4
148.01582	0.5
148.05197	1.2
149.05992	1.4
153.05489	0.4
158.03659	3.3
159.04457	5.6
161.06027	2.8
163.03947	7.7
171.04431	0.7
173.06017	2.9
174.03206	0.5
175.03967	0.8
178.02675	1.1
187.03912	1.2
193.05037	4.6
194.05440	0.4
226.06328	2.7
235.07588	0.5
241.08746	2.8
250.06276	0.9
251.07176	15.3
252.07903	6.9
253.08731	4.8
254.09465	3.3
263.07224	0.8
265.08743	1.6
267.10284	1.3
279.06659	4.6
280.04330	0.8
280.07455	15.6
281.07715	1.5
295.09814	11.1
296.10190	1.4
313.10904	1.2
324.06406	2.2
339.08762	5.2
340.09003	0.6
357.09857	100.0
358.10199	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16960	0.3
57.03339	12.3
57.92599	0.3
59.01268	13.7
61.61478	0.3
61.98716	0.5
63.87714	0.3
65.00221	1.5
65.03850	0.3
69.03336	0.8
71.01263	1.8
71.09077	0.8
73.02833	0.4
81.03371	0.8
83.01284	1.4
83.04939	0.4
85.02856	1.1
89.02341	1.0
89.03905	0.6
91.05440	2.1
93.03339	0.4
101.02356	1.2
107.04898	0.4
107.08546	0.8
109.02864	2.3
109.06516	3.7
113.02361	0.8
117.03386	0.8
119.03467	0.5
121.02840	0.9
123.04471	0.5
124.01592	22.2
125.02495	2.0
125.09651	11.1
126.10009	0.6
133.02892	3.7
133.06526	3.3
135.04459	6.4
137.02426	0.8
149.06081	0.3
149.09669	6.1
150.03151	1.5
150.09996	0.4
151.07608	2.4
159.04536	0.4
161.02399	44.5
161.04567	1.7
162.02730	2.0
176.01065	0.3
177.05476	0.5
192.13632	0.3
193.08687	100.0
194.09019	6.3
219.06656	2.1
233.08183	0.6
245.08167	1.0
260.49564	0.3
281.17749	0.4
295.10315	0.8
337.10907	1.0
349.85202	0.4
355.11993	10.8
355.15839	0.6
355.24942	2.7
356.12222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2288
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01000	1.4
59.01267	17.8
61.19812	0.8
71.01261	2.6
85.02836	3.1
89.02325	1.6
101.02322	1.2
101.98406	1.0
109.02865	1.7
110.89100	0.9
111.00849	0.9
122.03653	7.8
125.99271	0.9
127.07574	1.7
133.06526	3.0
135.04448	21.3
136.01585	2.0
147.08093	1.9
149.05956	1.3
149.09644	6.3
151.07635	2.4
154.02657	2.3
161.04399	1.8
161.09689	7.6
163.07555	2.3
163.11234	47.5
164.08374	14.5
164.11548	2.9
165.09145	8.1
177.09171	61.4
178.09969	16.1
179.10742	61.2
180.11049	4.9
181.92885	0.9
183.10274	2.4
187.11203	1.9
191.10710	12.2
193.08696	8.8
207.69424	1.1
237.62541	1.1
265.12405	1.1
280.14764	3.2
298.15799	43.4
299.16141	5.4
307.16849	1.6
309.22369	1.5
312.13977	1.3
337.17755	2.3
337.21817	50.9
338.22272	5.2
340.20505	85.3
341.20850	11.1
355.22867	100.0
356.23209	14.0
379.32449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86041	0.5
59.01264	5.9
64.87576	0.5
69.31039	6.1
71.01263	2.6
71.87244	0.5
85.02850	1.7
89.02344	1.1
93.03373	0.7
93.23718	0.5
93.81017	0.6
97.02841	0.8
101.02371	1.4
102.04603	0.5
106.63638	0.5
109.02834	0.7
111.00723	0.7
113.02372	0.7
121.02853	2.4
132.02084	2.5
132.29655	0.6
133.02902	1.3
133.06628	0.6
134.03662	58.1
135.04016	1.8
137.02368	8.3
139.03906	3.6
147.04433	0.7
149.02365	2.4
149.06018	18.3
150.03133	1.1
150.06354	0.8
153.05629	0.7
160.01608	14.5
161.01936	0.9
161.04518	0.7
163.03960	5.4
165.05539	1.0
175.03964	23.8
176.04610	0.8
178.02686	34.4
179.03029	1.6
179.07021	0.9
191.01747	1.2
191.03482	23.7
192.00540	0.9
192.03835	1.3
193.01489	3.5
193.05038	100.0
194.05406	5.0
203.03482	2.8
205.04881	1.0
206.05830	23.6
207.06340	1.4
209.03050	0.7
217.05089	1.2
218.05838	1.6
221.08206	30.0
222.08510	1.7
223.06061	0.6
223.09880	0.7
235.06142	1.0
251.09315	2.4
265.07169	3.9
311.11377	1.6
328.01266	0.6
355.06741	1.2
355.10449	8.4
356.10800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13763	0.6
57.03339	0.9
59.01266	26.8
61.98718	9.1
65.03853	4.9
67.01781	3.2
70.35404	1.1
70.35789	1.4
71.01275	4.6
83.01283	1.1
85.02850	2.6
89.02353	2.5
93.03355	4.0
101.02350	2.6
106.77055	0.6
109.02145	1.3
109.02868	17.6
109.03615	0.9
113.02336	1.9
116.38232	0.6
119.03416	0.7
121.02837	0.9
125.02370	4.5
133.06496	4.6
136.05405	0.7
137.02379	100.0
138.02676	3.2
161.04449	3.5
179.05551	1.6
189.43486	0.6
193.07077	1.8
197.02750	1.3
229.08685	1.5
271.41190	0.6
355.12131	3.1
355.15833	1.3
355.19595	3.0
355.24899	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	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99493	1.2
57.03338	6.6
57.92878	1.0
59.01262	33.4
61.98715	1.8
62.63565	1.2
63.02282	2.5
65.00214	5.0
71.01262	5.9
71.62932	1.6
73.02842	1.1
81.03354	1.8
83.01301	2.2
83.74310	1.1
85.02833	3.3
89.02333	3.0
93.03365	2.3
94.95876	1.0
101.02336	3.4
107.04906	2.8
107.08570	2.6
109.02837	2.4
109.06499	4.8
111.00784	2.1
113.02352	2.2
113.21698	1.2
119.03458	1.7
119.04912	4.2
121.02857	2.7
123.00791	1.5
123.04422	2.6
124.01589	15.3
124.04877	1.3
125.02370	1.4
125.09673	7.8
131.04922	1.3
131.08536	1.6
133.02867	4.5
133.06528	13.4
134.03610	1.2
136.01604	1.6
137.02367	3.7
147.04507	1.7
149.02376	3.4
149.09697	6.3
150.03175	2.4
151.07579	9.8
152.01099	4.2
157.06601	1.3
159.04431	1.5
161.04471	3.6
165.01964	1.9
173.06068	2.7
175.07680	2.7
176.01129	3.3
177.01920	14.1
177.05513	8.9
178.99861	2.7
191.07191	1.2
193.08673	53.6
194.09000	4.9
201.05507	4.6
203.03561	1.8
204.07901	1.5
205.04985	1.4
219.06583	11.5
220.07364	3.2
221.08144	2.8
242.05861	1.3
245.11850	2.9
247.06146	4.1
267.14102	1.2
269.11847	2.2
283.13269	2.2
311.12961	11.3
312.13712	1.5
327.12436	65.9
328.12720	7.5
337.10776	3.2
352.47290	1.2
355.11954	100.0
355.24887	2.3
356.12244	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	355.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.8
69.60896	5.0
69.61322	5.5
70.26065	1.5
71.01265	3.4
73.02827	2.2
75.00759	2.8
83.01283	2.4
85.02821	5.4
87.00750	3.7
89.02345	1.7
101.02329	2.2
109.33407	1.3
113.99465	2.3
115.00305	6.6
121.02877	1.6
123.75548	1.3
134.03667	30.1
137.02354	3.4
139.03937	1.6
149.02354	2.8
149.06018	9.3
151.03931	6.4
152.74139	1.3
163.03957	2.5
164.04764	2.4
168.91774	1.7
172.61455	1.3
174.01645	55.5
175.02339	4.0
175.03865	1.4
177.05653	1.6
178.02681	19.7
179.07111	2.4
191.03435	5.2
193.01369	2.8
193.05035	52.3
193.06807	3.6
194.05371	3.0
204.57379	1.4
206.05789	2.8
207.06375	1.4
209.08133	2.5
221.08150	6.6
237.07692	4.8
265.07089	7.2
295.08310	9.0
296.08414	2.0
338.13623	1.4
353.19672	1.5
355.10419	100.0
356.10794	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.00470	0.4
59.01268	11.7
62.04168	0.4
68.69958	0.4
69.51360	3.8
70.17204	0.4
71.01272	6.2
72.99203	0.9
73.02842	1.0
76.40211	0.4
83.01277	0.4
85.02847	2.3
87.00796	0.9
89.02341	3.6
95.01286	0.8
99.00784	0.6
101.02353	2.6
113.02374	1.9
114.20752	0.4
119.03429	1.1
125.02368	0.9
131.03415	0.5
132.02101	13.0
133.02446	0.7
133.06502	1.0
134.03673	9.4
135.04446	0.6
147.04462	0.5
148.05215	0.4
149.02390	0.5
149.06073	2.1
151.04008	0.6
160.01610	71.5
161.01949	4.2
161.04509	0.7
163.03951	5.7
163.05228	0.6
164.04454	0.5
165.05658	0.5
174.03180	0.8
175.03964	100.0
176.04333	5.9
177.01953	0.7
178.02667	1.0
179.07092	0.6
191.03465	22.8
191.07101	1.4
192.03758	1.2
193.01425	1.3
193.05042	18.1
194.05406	1.2
202.02705	1.0
205.05014	0.7
206.05835	19.4
207.06357	1.9
209.02917	0.7
217.05092	6.0
218.05481	0.5
221.08199	23.6
222.08432	1.4
235.06099	3.4
265.07312	2.8
295.08365	2.4
296.11438	0.4
311.11435	2.1
344.38028	0.5
355.06308	0.7
355.10410	13.4
356.10468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0829
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
57.04478	0.8
59.01265	31.7
61.98704	1.9
71.01260	5.2
71.60934	1.5
73.02856	1.1
74.53006	1.2
78.76711	0.9
85.02838	1.4
89.02341	2.3
99.00735	0.9
101.02351	2.7
105.39439	0.9
106.55089	1.0
113.02352	1.8
119.04936	18.4
120.05281	1.2
121.02872	96.6
122.03207	3.3
125.02353	1.0
133.06523	5.2
149.02351	1.0
161.04517	3.8
163.03954	12.6
177.01900	1.9
181.06569	5.0
193.07092	1.9
194.02150	1.0
204.04872	4.1
206.01584	1.8
225.05669	2.2
247.05568	1.5
250.07704	0.9
281.72974	1.1
297.07727	1.0
311.09323	100.0
312.09726	7.7
319.07706	7.0
325.14441	1.1
337.11011	1.6
355.08276	60.3
355.11835	4.8
355.15741	4.5
355.20883	1.3
355.25220	5.0
356.08698	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17637	0.6
52.95576	0.6
59.01265	6.2
61.21577	0.6
61.98716	1.4
64.33514	0.6
69.52197	5.0
71.01265	1.5
76.22498	0.6
85.02856	2.2
89.02357	0.8
99.00752	0.9
101.02368	0.7
108.04478	1.1
121.02885	0.7
131.03423	1.3
133.06584	0.8
134.03664	81.1
135.04019	2.8
137.01439	0.5
137.02341	4.5
139.03923	0.9
149.02379	1.0
149.06020	25.5
149.07216	1.4
150.06465	1.3
151.03918	0.7
159.79280	0.6
161.04454	0.9
164.04704	1.1
178.02676	16.8
179.03078	0.7
179.07106	0.9
190.98132	0.7
193.05032	100.0
194.05377	5.8
239.21269	0.6
300.34381	0.6
355.10391	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	355.1043
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.81373	1.9
59.01258	17.6
68.92910	1.8
69.34937	18.9
71.01260	9.1
71.56042	2.1
72.99171	2.2
83.40034	1.7
85.02851	6.1
87.00703	1.9
89.02345	4.8
96.95893	3.5
98.20580	4.9
101.02352	4.4
101.88621	1.7
107.19434	2.0
113.02316	2.0
125.02335	3.3
131.10878	2.0
131.46213	2.0
132.02077	14.3
134.03699	9.5
149.02367	3.5
149.06012	5.2
160.01607	66.4
161.02010	3.2
164.04593	2.7
175.03963	100.0
176.04352	3.6
191.03445	5.7
191.07234	2.6
193.03444	3.8
193.04971	18.7
217.05095	6.5
235.02271	2.1
235.06044	3.4
265.07178	2.6
295.08411	2.6
302.41745	2.1
355.10251	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03337	13.0
58.11989	1.0
59.01263	24.2
70.43163	3.2
71.01273	17.6
72.99190	3.3
73.02840	3.0
75.00766	2.6
83.01278	3.2
84.02074	2.1
85.02843	100.0
86.03176	1.8
87.00747	2.9
89.02338	18.3
94.58327	1.0
97.02846	1.3
99.04414	6.6
101.02344	18.2
103.00307	1.9
104.71233	1.0
113.02345	4.8
119.03429	3.8
119.04935	4.3
129.01869	8.5
131.03421	2.7
143.03419	1.2
147.02908	8.9
149.04494	17.7
161.04507	3.7
163.03973	2.9
165.04031	1.0
173.00818	1.5
179.05585	3.5
191.01965	27.9
193.07167	6.2
209.03004	45.0
210.03394	1.7
307.95956	1.1
323.09717	1.2
332.41873	1.1
355.12671	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	355.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41341	0.4
55.01771	2.7
57.03340	14.1
58.00470	0.6
59.01267	12.7
68.99709	0.7
69.61760	2.9
71.01271	10.1
72.99203	2.6
73.02824	1.0
75.00770	1.9
79.02457	0.6
81.99812	0.5
83.01266	2.1
84.02044	2.8
85.02845	100.0
86.03172	2.3
87.00768	1.8
89.02335	4.9
93.00798	0.5
98.20544	0.6
99.00796	0.5
101.02337	2.7
103.00286	1.9
108.04463	5.0
113.02332	1.0
115.00294	0.6
119.03426	1.5
119.04951	4.5
129.01863	8.2
131.03391	0.8
133.01363	2.4
134.03667	1.4
145.02917	0.6
147.02937	7.4
149.04466	1.6
150.05516	3.9
161.04512	1.0
163.03947	3.4
173.00893	0.7
179.05608	1.1
191.01955	27.8
192.02312	1.4
193.05103	1.1
193.07159	1.3
209.03023	47.2
210.03387	2.0
231.06749	0.6
265.05646	0.5
314.31384	0.5
337.05774	0.6
355.06677	1.2
355.12964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1402
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
56.63043	0.6
59.01268	7.2
61.98702	1.7
70.76517	0.9
70.76860	1.1
71.01281	1.0
105.03390	0.8
107.37362	0.5
109.02862	1.7
121.02888	2.6
123.00809	0.7
125.02409	0.8
133.02861	3.5
135.04401	1.6
137.02379	1.1
145.02911	1.4
147.04436	0.7
148.01512	0.7
149.02364	1.7
152.91747	1.2
160.01509	0.8
161.02390	18.4
161.04471	0.9
162.03084	2.1
176.08354	0.8
183.01215	4.9
184.01671	0.7
189.09125	0.7
191.05574	0.7
191.10742	5.0
194.92781	1.2
194.95522	1.5
195.93163	0.8
197.02730	1.6
197.06047	0.8
201.09091	1.0
207.08095	0.7
209.06198	0.7
211.04172	0.7
215.10757	1.0
220.63417	0.6
223.04044	2.0
225.05562	1.6
233.09804	0.6
235.07683	1.1
238.06371	1.2
239.10785	2.0
241.05116	1.0
249.09119	0.9
251.07249	2.2
251.10789	0.7
253.05147	0.6
254.13168	1.0
263.07196	1.0
265.05139	0.8
265.12482	0.6
266.05838	2.2
267.06512	1.3
267.10422	1.0
269.04630	1.9
276.11707	1.0
277.08783	4.2
279.06799	2.0
279.10107	0.9
280.06833	0.7
283.06219	1.6
284.06937	4.9
292.11093	3.7
293.08878	0.8
293.11832	1.8
294.12509	0.8
295.06168	2.1
295.09784	1.9
297.07751	5.6
305.08191	6.9
307.13498	6.2
308.13800	0.9
309.07846	0.8
310.12183	1.9
320.10544	4.6
321.11282	2.8
322.11780	0.8
323.09235	5.3
325.14423	1.7
335.12952	27.1
336.13278	4.2
338.11688	7.7
339.11893	1.2
353.14041	100.0
353.17978	12.3
354.10159	0.8
354.14386	13.4
354.18234	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1398
Annotation	lupinacidin C
Peak:m/z	Relative Intensity
55.44830	2.1
59.01261	27.7
60.18416	2.2
61.98706	5.1
63.98097	2.0
65.58137	1.8
69.93641	9.3
70.87737	2.0
71.01266	4.4
76.67573	1.8
84.10750	1.8
90.76482	1.8
96.95924	2.9
108.02070	4.8
109.02894	4.3
114.08266	2.3
115.56409	2.2
121.02872	66.8
133.02948	3.4
134.03668	3.0
135.04495	3.1
149.06062	3.2
152.91667	4.3
153.92216	2.4
158.03854	2.0
161.02342	4.7
173.06071	2.2
175.51434	2.3
194.92798	5.0
194.95610	5.0
195.93251	3.0
197.06104	3.4
203.31190	2.1
211.07587	3.1
213.05452	2.3
216.07855	3.0
223.07544	2.0
225.05615	3.1
227.07170	2.9
227.42223	2.1
231.10329	4.1
241.04922	10.9
253.05231	2.3
255.06659	19.1
256.07434	5.4
265.12622	2.5
267.06616	19.6
268.07431	15.9
269.04587	6.9
269.07697	3.2
283.09741	15.3
284.06979	8.1
293.08914	4.0
295.09628	4.5
296.19141	2.2
309.11359	4.6
310.12115	28.6
310.90790	2.2
311.12466	3.1
325.14508	38.6
325.18149	3.4
326.15012	4.6
335.12897	2.9
352.91537	4.0
353.14053	100.0
353.23407	3.2
354.14337	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	353.2128
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01255	0.5
70.54759	0.7
79.95634	0.4
96.95907	2.9
108.21822	0.2
109.02763	0.2
147.08087	0.4
152.04279	0.2
161.06079	0.2
163.11235	80.1
164.11563	4.7
177.09174	61.7
178.09503	4.1
190.09959	0.2
197.02765	1.1
198.03497	0.2
222.09198	0.3
232.67346	0.2
353.21292	100.0
354.21643	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	353.1402
Annotation	lupinacidin C
Peak:m/z	Relative Intensity
51.85501	1.3
54.51796	1.5
57.16497	1.5
59.01271	23.7
61.98711	3.8
69.42119	13.8
71.01273	3.6
78.60291	1.2
85.02838	2.3
89.02356	2.0
89.95760	1.3
93.01391	1.2
98.19765	2.4
100.12103	1.2
101.02377	1.7
101.94765	1.2
102.98729	1.1
108.00958	1.2
108.02071	3.5
109.02842	4.4
116.78928	1.3
121.02879	35.8
133.02876	4.0
134.03700	3.0
135.04500	1.8
148.01590	1.6
149.05916	1.4
152.91701	1.4
161.02383	5.4
170.43388	1.6
175.31291	1.2
185.15405	1.6
187.07629	3.8
188.08405	5.8
189.09102	3.1
191.05600	2.4
191.10817	2.5
192.11566	2.2
194.92882	2.3
194.95576	3.4
197.02908	1.7
197.06068	1.8
199.07623	1.6
201.09215	3.0
211.07571	2.6
216.07991	3.6
220.14697	3.9
221.10201	1.7
221.15445	13.7
223.07619	2.8
227.07072	2.2
229.08792	2.2
236.10574	10.2
239.07169	2.3
240.04396	1.7
241.05132	7.9
249.05641	3.0
253.05164	1.9
254.05865	2.4
255.06717	11.8
256.07336	7.2
265.05310	1.8
267.06702	25.1
268.06992	2.0
293.08841	3.8
293.17749	2.1
295.09912	4.2
309.11493	2.8
310.12180	32.0
311.12643	3.9
325.14520	37.7
325.18112	2.6
326.14941	3.6
338.11554	1.6
352.91959	2.4
353.14023	100.0
353.18002	5.7
353.23312	3.0
354.14316	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12684	0.1
53.63904	0.1
59.01270	0.6
69.46722	0.3
69.47132	0.6
71.01276	0.1
72.46674	0.1
80.40299	0.1
81.27206	0.1
86.47964	0.1
91.74509	0.1
93.03310	0.1
103.05460	0.1
108.02087	0.5
108.22612	0.1
117.00472	0.1
122.03646	0.6
131.04953	0.2
146.26935	0.1
147.04477	0.9
148.05237	1.8
149.06024	100.0
150.06360	4.7
150.99190	0.1
153.86601	0.1
154.02643	0.1
311.11588	0.1
353.12317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1401
Annotation	lupinacidin C
Peak:m/z	Relative Intensity
59.01264	1.2
65.03823	0.4
70.45296	1.2
80.02555	0.6
93.03377	0.7
108.02074	5.5
109.02902	2.4
116.37733	0.3
121.02872	60.5
122.03168	2.2
123.04447	0.6
133.02861	1.9
134.03665	1.3
135.04471	1.7
147.04478	1.0
148.01566	0.7
149.02385	0.6
159.04524	0.9
160.05254	0.7
161.02409	3.2
161.05992	0.8
162.03052	0.4
169.06491	0.6
173.05972	2.2
176.08415	0.6
185.06056	0.8
187.07600	1.8
191.10722	3.0
196.05292	1.3
197.06055	3.4
199.03979	1.0
201.05554	2.6
201.09190	1.3
212.04698	0.3
213.05589	1.1
215.07014	0.8
216.07910	6.6
223.07545	0.3
223.11270	0.4
225.05630	2.3
225.09256	1.5
226.06013	0.5
227.07137	0.7
227.10838	1.0
229.08757	0.6
230.09309	0.4
231.10286	3.6
240.04309	1.1
241.05077	17.1
242.05557	1.4
250.10155	0.5
251.10847	3.4
253.08711	1.9
255.06697	0.8
256.07452	25.0
256.70834	0.4
257.07776	2.7
265.12802	0.7
267.06549	0.4
267.07410	0.4
267.10233	2.7
268.10687	0.5
269.04727	1.0
269.08240	6.7
270.08441	0.5
277.08719	2.0
279.06732	0.7
281.08218	0.6
281.11920	0.4
284.06949	3.5
293.08807	0.7
293.11884	3.4
294.09235	0.5
294.12381	0.5
295.09833	22.5
296.10135	2.8
305.08279	1.1
309.11365	5.0
310.12180	33.8
311.12527	4.2
321.11401	0.8
324.13971	0.5
325.14526	39.6
326.14883	4.9
335.12970	2.6
337.10913	1.1
338.11520	0.6
353.14017	100.0
354.14371	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	353.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88989	0.2
59.01263	0.8
63.02285	0.5
65.00214	3.0
68.99718	0.2
70.54226	0.4
70.54554	0.4
79.05412	0.2
80.38301	0.2
83.01299	0.2
88.98717	0.2
89.03876	0.4
98.20564	0.3
105.07022	0.5
107.04909	0.5
107.08591	0.6
108.02081	1.7
109.02836	1.1
109.05813	0.4
109.06499	3.6
110.59383	0.2
120.58668	0.2
121.02880	0.9
123.04422	0.7
124.25736	0.2
129.06978	0.2
131.08601	0.8
133.02879	6.7
133.06517	8.0
134.03252	0.2
134.06831	0.5
135.00801	0.2
135.04456	0.4
136.01617	1.1
143.04933	0.3
145.02875	0.2
147.08081	0.5
148.01598	1.1
148.05138	0.2
149.02373	2.3
149.06007	0.4
151.03979	1.0
151.07588	7.1
151.96481	0.2
157.02919	0.6
157.06540	0.3
161.02388	0.4
163.00351	1.2
163.07623	0.3
164.01073	0.6
171.04491	0.4
173.02383	0.6
174.03127	0.5
175.00334	0.7
175.03957	4.4
175.07576	2.3
176.01100	3.8
176.04521	0.3
176.08104	0.2
177.01823	0.6
181.42650	0.2
183.04466	0.3
188.04749	0.3
189.01926	0.3
189.05351	0.2
190.05717	0.2
191.07129	0.8
195.04477	0.4
196.05283	0.3
197.06047	0.2
197.44096	0.2
198.03313	0.5
199.03993	3.8
200.04333	0.3
201.01901	3.8
202.02425	0.2
211.03983	0.2
212.04762	0.8
213.05695	0.2
216.04300	1.3
217.04845	0.3
219.06627	11.2
220.06952	0.5
223.04112	0.2
225.05576	0.3
226.06372	0.8
230.66702	0.2
237.05588	0.2
238.06427	0.3
239.03609	0.2
239.10815	0.3
240.04294	2.3
241.04924	0.5
241.12344	0.2
243.02986	0.7
253.05093	0.7
254.05847	0.4
263.10663	0.3
265.04959	0.2
265.12320	0.4
266.06107	0.4
266.09332	0.2
267.03082	0.4
267.10349	1.5
269.04736	0.6
270.05386	0.4
281.04547	0.4
281.11743	0.6
282.05411	0.3
283.09836	0.7
284.03317	1.1
285.11389	2.5
286.11682	0.4
291.10312	0.5
293.08276	0.2
297.04056	2.0
298.04871	2.1
309.04144	2.3
309.07565	0.3
309.08191	0.2
309.11374	1.8
310.04932	0.5
310.12024	0.2
323.05688	0.2
325.10815	0.9
330.03940	0.7
337.07489	0.2
338.07895	0.4
353.10373	100.0
354.10706	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	353.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.6
59.01261	8.6
59.81076	0.7
61.01692	0.7
70.56778	0.7
70.57124	2.4
71.01270	3.1
73.02847	0.8
80.73490	0.7
83.01295	1.1
85.02843	35.0
89.02323	1.5
89.29653	0.8
92.39457	0.7
96.95922	0.9
101.02348	23.3
101.89944	0.9
103.03873	0.8
113.94471	0.7
114.10692	0.8
121.02866	6.7
129.01860	100.0
130.02219	1.6
132.02080	1.0
135.04503	0.8
147.02924	8.9
147.04443	2.6
149.02382	41.6
150.02705	1.6
152.01067	1.0
154.99265	0.7
163.03972	1.1
164.04736	29.6
165.05057	1.5
179.07103	2.1
193.01405	1.2
208.03746	5.6
223.06119	52.4
224.06519	3.7
268.03833	1.3
269.04565	8.0
288.07483	1.4
324.24420	0.9
353.11752	1.3
353.15945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	4.0
61.51322	0.3
61.63168	0.3
61.98701	1.2
65.00189	0.4
69.87297	1.9
71.60899	0.4
77.03881	0.7
79.01770	0.8
81.97426	0.5
89.03869	0.5
105.03352	1.2
109.78632	0.4
114.22414	0.4
115.94453	0.4
117.03349	0.6
121.02846	2.9
132.02089	1.3
133.02884	7.8
135.04437	1.5
149.02370	0.7
149.06000	0.6
157.02872	0.5
159.04427	2.0
161.02443	0.5
173.06030	0.4
177.65352	0.4
181.06563	0.5
183.04523	0.7
183.08214	0.5
191.05618	0.5
193.06512	0.6
194.07339	1.4
195.08130	2.6
197.06036	1.4
199.04041	0.6
209.06062	0.9
210.06738	0.9
211.07536	1.2
223.04091	0.4
224.04759	1.4
225.05626	0.9
226.06281	0.9
227.03465	0.6
227.07098	1.4
237.05576	1.5
238.06381	2.4
239.07027	2.2
253.05066	7.2
254.05791	3.4
255.06589	0.7
256.07336	0.8
262.05762	0.4
265.05005	0.7
281.04599	9.7
282.05371	9.7
283.06171	73.6
284.06534	6.1
286.04922	0.7
293.08652	0.6
293.11993	0.5
295.06363	0.5
295.09769	0.7
310.12143	0.9
314.04391	13.0
315.04608	1.1
317.08405	2.4
318.08423	0.5
323.05872	0.6
325.14435	0.9
335.09293	9.8
338.07990	0.6
353.10361	100.0
353.13828	4.3
354.10715	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	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77139	1.6
58.00465	1.7
59.01270	14.3
69.03341	3.0
70.54620	4.5
70.54964	2.3
71.01280	15.8
72.87599	1.5
72.99202	1.8
75.00781	2.1
83.01273	2.6
85.02832	2.9
89.02341	3.0
93.03345	2.5
99.00783	41.5
108.02080	5.3
109.02883	1.9
111.00789	3.7
115.03925	1.7
117.03376	1.9
123.04459	5.5
124.01586	4.1
131.04976	2.1
132.02097	2.4
133.02881	3.2
134.03680	18.5
135.04437	7.3
136.05240	3.2
137.02365	3.6
145.02888	5.7
146.03651	5.7
147.04434	12.1
148.01619	6.4
148.05263	19.1
149.02417	1.8
149.06004	10.1
150.03191	1.9
151.03883	2.4
158.03661	4.7
159.02972	6.2
159.04471	16.7
160.01543	2.2
160.05260	32.0
161.02419	17.3
161.05981	5.3
162.03168	56.4
162.06738	6.1
163.03986	16.1
163.07600	7.1
164.04771	10.1
165.05441	1.9
171.04492	2.7
172.05292	9.8
173.02458	2.2
173.06033	53.8
174.03217	6.6
174.06708	5.3
175.03978	16.5
175.07553	9.3
176.01117	2.0
176.04692	13.4
177.05534	100.0
178.02580	2.3
178.06224	14.5
179.03496	2.3
179.07135	3.6
184.05258	18.5
185.06007	6.8
186.03139	2.7
186.06624	1.9
187.03978	17.2
187.07678	3.4
188.04758	50.2
189.05531	14.2
190.02704	21.5
190.06300	18.6
191.03374	5.1
191.07109	7.2
193.05084	3.1
193.08670	5.4
194.02257	2.6
195.06493	2.9
199.07613	4.6
201.05553	8.7
202.06335	30.7
203.03508	4.9
203.07080	26.1
204.04268	31.0
205.05042	39.9
205.08687	5.7
206.05563	3.8
207.06696	11.0
207.28394	1.6
214.06273	4.2
215.03496	6.3
216.04243	8.4
217.05339	2.6
217.08693	89.4
218.02214	3.8
218.09059	6.6
219.03349	10.3
219.06624	85.9
220.03659	3.4
220.07066	4.5
221.04892	2.1
221.08197	51.4
222.08614	3.6
223.06187	4.4
231.06638	43.5
232.01105	1.7
232.07042	3.2
233.04602	15.5
234.05159	1.8
235.06152	42.7
236.06549	3.4
247.06146	5.3
249.07712	54.1
250.08069	6.2
251.05637	58.8
252.05943	4.8
261.07776	8.8
265.07211	12.7
266.07678	1.9
273.07675	4.9
279.05313	2.8
291.08746	8.5
293.06735	53.2
294.07074	3.5
309.09875	9.5
353.09076	43.9
354.09177	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	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38012	1.9
59.01259	15.2
69.03345	3.1
69.73724	14.3
71.01271	16.5
72.99199	2.7
75.00784	2.2
76.57468	2.1
82.25214	2.0
85.02840	6.7
89.02390	2.1
97.02851	3.9
98.19809	3.4
99.00784	39.6
108.02061	6.1
111.00799	3.5
115.03928	5.9
117.03357	2.9
123.04408	5.1
124.01574	4.7
131.04945	3.7
132.02090	2.7
133.02863	3.9
134.03676	17.9
135.04472	11.2
136.05232	3.7
137.02391	3.9
145.02898	7.8
146.03667	7.0
147.04482	14.5
148.01622	9.0
148.05226	21.0
149.02370	3.2
149.06007	11.5
150.03059	2.6
158.03642	6.4
159.02953	6.9
159.04472	20.9
160.01636	3.5
160.05257	34.6
161.02382	22.5
161.05968	7.9
162.03172	60.8
162.06790	6.6
163.03973	21.0
163.07565	4.5
164.04802	11.0
171.04344	4.4
172.05270	8.7
173.06041	49.5
174.03154	6.5
174.06726	7.4
175.03894	12.6
175.07582	6.3
176.01144	2.5
176.04767	12.5
177.05528	100.0
178.06264	13.2
179.03481	2.7
179.07098	4.6
184.05266	19.1
185.05951	4.3
186.03172	2.0
187.03970	17.7
187.07516	2.7
188.04750	56.7
189.05475	17.1
190.02727	19.8
190.06317	22.2
191.03413	7.6
191.07091	10.0
193.05031	4.5
193.08549	3.1
194.02249	3.8
195.06618	5.9
199.07660	7.5
200.04993	2.4
201.05586	12.2
202.06306	33.0
203.03534	6.5
203.07063	16.0
204.04243	31.5
205.05043	41.4
205.08592	4.5
206.05516	5.6
207.06648	9.8
215.03522	4.6
216.04189	4.6
217.08691	81.1
218.02191	5.7
218.09019	4.1
219.03319	10.2
219.06624	82.6
220.03658	4.3
220.07011	6.0
221.08188	44.4
222.08505	3.1
223.06012	5.4
229.08441	2.3
231.06656	38.6
232.07088	3.8
233.04558	11.2
235.06136	39.9
236.06575	2.7
247.06183	4.7
249.07713	43.9
250.08374	2.5
251.05652	49.9
252.05960	3.0
261.07697	6.0
265.07239	11.2
265.10760	3.2
276.65607	2.0
291.08826	5.7
293.06732	49.7
294.07040	5.0
309.09845	6.0
353.05295	3.1
353.08902	37.0
353.12701	3.7
354.09393	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	351.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08426	0.3
59.01264	100.0
60.01602	0.9
66.53291	0.3
68.71965	0.3
69.29710	0.3
71.01271	0.4
71.54838	0.4
87.00790	1.6
94.35806	0.3
102.80019	0.3
113.02423	0.3
121.02837	0.4
175.07648	0.6
187.07611	0.5
190.06465	0.3
219.10355	0.8
229.08694	1.9
243.10472	0.3
273.07825	0.7
303.73547	0.3
351.10791	3.3
352.11456	0.5
363.21082	0.3
373.63361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01611	1.1
71.01279	0.4
71.59308	0.7
87.00773	2.2
95.67704	0.5
114.37025	0.4
134.76457	0.5
163.67729	0.5
175.07672	0.9
184.66054	0.5
201.09235	0.8
217.08707	0.4
219.10349	1.3
229.08749	1.8
273.07758	1.4
289.11020	0.5
311.37424	0.4
328.78058	0.4
351.10883	5.2
351.14594	0.5
352.11539	0.8
369.78415	0.4
371.84445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.5
61.98725	0.9
71.60835	0.8
79.95624	8.4
80.96415	0.8
85.02854	0.6
92.58083	0.4
95.95132	6.1
96.95915	84.8
100.65951	0.5
101.02374	0.5
106.18899	0.4
121.02906	0.9
138.96873	0.6
144.57648	0.5
149.02374	0.7
152.00185	3.3
152.91681	0.6
154.01712	0.5
161.02449	1.1
184.02844	0.6
191.05544	0.6
192.93681	0.4
194.92691	1.0
194.95505	0.8
255.06688	0.5
256.72186	0.4
289.94489	0.5
293.08820	0.7
308.19092	2.9
325.14484	0.7
335.12784	0.7
352.21716	100.0
352.91779	0.7
353.10385	1.0
353.14597	2.6
353.18063	1.0
353.21964	11.5
376.00635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34277	0.6
55.01777	0.7
57.03328	2.3
59.01262	15.1
67.01764	1.0
68.99690	0.9
70.56106	1.8
70.94986	0.5
71.01266	14.0
72.99194	3.6
73.02838	1.3
75.00763	13.9
83.01268	1.2
84.02080	0.6
85.02843	16.7
86.03177	0.5
87.00758	6.3
89.02332	3.4
89.28397	0.5
95.01278	3.6
99.00771	8.1
101.05982	100.0
102.05578	0.9
102.06314	2.3
103.00253	1.7
111.00816	0.6
113.02354	20.1
114.36140	0.5
115.00280	2.1
117.01862	2.6
120.01560	0.5
129.01816	0.8
133.70790	0.5
143.45554	0.5
146.04497	1.0
164.04805	0.6
175.02457	2.0
175.53610	0.5
231.05151	2.2
235.89111	0.7
249.06180	14.8
249.08582	1.1
250.06526	0.7
267.07269	2.1
289.11996	0.5
291.11011	1.2
311.37909	0.6
333.12036	3.5
351.13022	89.1
352.13397	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	351.1244
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
59.01264	7.4
61.98722	0.7
65.46754	0.5
69.18980	0.4
70.07729	0.5
71.01254	0.7
71.55856	0.4
71.56268	0.8
96.95914	1.4
121.02886	1.1
121.58689	0.5
186.95593	2.1
187.55315	0.5
192.95863	2.6
199.07600	0.7
223.07669	1.9
225.09294	2.2
228.65045	0.5
249.09227	1.4
253.05136	2.2
265.05045	1.6
265.08673	1.1
266.05649	0.6
267.06671	39.1
268.07007	3.3
268.96069	0.7
278.05914	1.3
279.06775	4.4
279.09799	0.7
280.06729	0.6
289.25299	0.6
293.04858	0.7
293.08237	13.0
294.08560	1.4
295.06296	2.7
307.09695	1.6
308.10629	6.5
309.10959	0.6
321.07800	3.0
323.12964	14.5
324.13159	1.6
333.21024	0.6
335.09482	3.2
336.10101	1.9
351.12439	100.0
351.21774	2.2
352.12772	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	351.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	4.1
61.98689	0.5
71.01266	0.4
71.12498	0.3
71.62280	0.4
96.95902	0.9
161.02373	1.4
161.04500	0.5
186.95566	1.2
187.03955	0.8
189.01926	0.3
192.95802	1.3
213.01906	0.7
214.02602	0.5
231.10332	0.6
239.03621	0.3
249.09258	0.7
252.04338	0.4
263.10822	0.4
264.11514	0.4
265.08740	6.2
266.05933	0.4
266.09152	0.5
267.06671	2.2
268.95935	0.5
275.07281	0.7
277.08649	0.3
278.05890	5.1
279.06332	0.6
280.07495	0.3
280.11172	0.5
292.07553	0.4
293.08252	42.9
294.08600	4.5
295.06134	0.9
306.05386	0.9
307.09744	0.6
308.10590	47.5
309.10938	5.3
321.07727	13.2
322.08029	1.6
335.09354	3.3
336.10086	40.8
337.10440	5.5
351.12436	100.0
352.12775	12.1
352.17117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1243
Annotation	Gancaonin M
Peak:m/z	Relative Intensity
59.01264	5.3
61.98708	0.7
64.78429	0.3
69.75625	0.5
69.76034	1.7
71.01244	0.6
85.27177	0.3
91.01778	0.6
96.95927	3.4
98.19824	0.8
102.72510	0.3
107.59538	0.3
109.02881	1.0
135.00809	1.3
148.28198	0.3
150.54893	0.3
150.94736	0.4
153.01855	0.7
161.02454	0.4
185.06065	0.6
186.95592	1.7
187.03990	0.6
192.95764	2.6
221.15396	0.6
236.10619	0.4
237.05510	0.4
238.02722	0.4
239.03349	0.6
249.09227	0.9
251.07176	0.5
262.06232	0.4
263.10748	1.0
264.11520	0.4
265.01398	0.5
265.08801	0.8
266.02396	1.6
267.06656	2.1
268.95947	0.6
271.23050	0.6
276.07941	0.5
277.05298	0.8
277.08722	2.5
278.05814	0.8
278.08759	0.4
279.06635	0.4
279.10257	0.4
281.04678	1.1
282.05475	0.4
289.05109	0.7
291.10471	0.9
292.07629	0.5
292.11075	0.6
293.08252	17.5
294.08670	2.0
295.06250	2.4
295.09128	0.5
296.06525	0.4
305.04733	1.8
306.05588	1.7
307.06140	0.7
307.09891	0.9
308.10617	3.6
309.10828	0.5
319.09860	0.9
321.07730	20.8
322.08005	2.3
335.09311	19.9
336.10056	19.8
337.10349	2.1
351.12436	100.0
352.12787	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	349.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91320	0.8
55.01766	2.5
57.03333	3.3
58.00476	3.3
59.01265	100.0
60.01603	1.5
69.03342	1.5
69.56277	7.4
71.01270	73.6
72.01649	1.1
72.99203	4.7
73.02831	10.2
73.03999	1.4
75.00768	1.9
75.57905	0.9
83.01278	6.5
85.02848	21.1
87.00773	4.4
87.04426	1.1
89.02338	49.8
95.01300	5.7
96.04479	1.2
97.02802	0.9
98.20527	1.8
99.00786	4.5
99.04341	0.9
99.72294	1.0
101.02347	45.0
101.03014	2.2
101.05978	1.1
110.06045	0.9
113.02358	29.1
119.03421	23.6
124.57124	0.8
125.02366	1.4
125.69173	0.8
131.03430	3.8
132.02974	1.5
139.05057	2.2
141.11928	0.9
143.03452	5.5
147.04448	2.0
149.04544	2.0
155.04555	1.2
159.02951	2.2
161.04514	14.9
164.07149	3.1
166.01506	1.2
179.05586	8.6
187.13385	8.1
219.14903	1.0
243.11305	1.1
287.10449	3.5
331.09494	1.9
349.10846	6.6
349.15387	2.2
349.18750	54.8
350.19006	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	349.2029
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
57.03345	0.5
59.01267	10.1
71.60886	0.6
83.04915	0.9
96.95941	0.7
101.02390	0.5
103.93169	0.5
119.30701	0.5
135.04434	2.9
145.02859	0.6
147.04485	0.8
149.06004	4.5
165.05531	1.8
203.71434	0.5
236.55727	0.7
242.13167	2.9
253.16034	3.3
271.17099	16.5
272.17526	1.5
283.09869	1.3
287.20230	44.6
288.20547	4.6
299.93356	0.6
305.21280	8.0
331.19183	3.3
349.20279	100.0
350.16461	0.7
350.20618	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	351.1093
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
53.72683	0.8
54.18806	0.9
57.03341	1.4
59.01257	9.4
65.55858	1.0
69.03349	4.0
70.02400	0.9
71.01270	2.4
71.60593	1.8
73.02840	1.2
74.83457	0.9
75.00751	1.0
85.02856	2.6
87.00769	57.6
97.06467	8.1
101.02330	1.9
113.02346	2.1
115.00307	1.5
121.02867	5.0
122.03659	3.5
123.04447	6.1
130.99783	8.5
133.01321	1.4
146.03687	10.4
147.04454	7.2
149.06018	3.4
159.04526	2.3
161.02428	2.0
161.05994	2.4
162.06848	1.3
163.07565	3.6
172.05247	6.7
173.05995	3.7
174.03195	4.0
174.06825	2.7
175.04068	5.7
175.07608	31.1
176.04698	2.4
186.06834	4.0
187.07558	8.0
188.04771	3.3
189.05565	6.0
189.09132	3.3
190.06273	8.6
199.03989	1.9
200.04773	17.0
201.05455	3.3
201.09172	12.5
203.07036	10.3
204.07890	4.6
211.07626	1.8
213.05615	1.2
215.07162	3.3
216.04330	1.5
216.07964	1.8
217.08635	10.9
218.05751	1.4
219.10258	21.2
227.07079	1.5
227.10774	4.1
228.07944	2.6
229.08716	48.1
230.09061	4.5
243.10245	3.0
245.08342	5.9
245.11850	5.3
247.05743	1.2
247.09766	5.9
254.04373	5.9
261.11423	3.0
271.09805	3.0
273.07773	32.8
274.08224	2.7
288.99673	1.1
289.10971	3.6
291.08789	1.2
307.12109	2.3
315.08887	2.5
318.28638	1.3
333.09894	13.5
351.10925	100.0
352.11249	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	349.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01610	0.8
62.40614	0.6
62.62667	0.6
71.01275	7.7
71.61056	0.6
71.61459	0.9
72.99205	0.9
73.02853	1.7
73.96124	0.5
83.01301	0.5
85.02852	1.7
86.59363	0.6
87.00776	0.7
89.02336	4.9
99.00787	0.9
101.02357	5.5
102.78153	0.6
113.02364	3.2
119.03436	2.2
125.02411	1.2
131.03464	0.7
131.56419	0.6
136.07672	0.8
161.04507	1.8
179.05521	0.5
187.09743	1.0
213.60600	0.6
217.10938	1.3
293.46463	0.5
349.11249	0.7
349.15134	5.6
349.18930	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	349.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
59.01265	100.0
60.01605	1.0
69.44774	3.3
71.01284	3.3
73.02841	1.5
82.75039	0.3
85.02856	1.6
88.98697	0.4
89.02357	0.6
96.95918	0.5
99.00737	0.9
101.02345	2.1
109.75828	0.4
113.02348	1.5
134.02086	0.3
149.45799	0.3
161.04530	2.4
162.47714	0.4
174.03165	3.8
202.02708	9.4
203.03149	0.9
217.05086	3.5
218.05437	0.8
244.87395	0.4
269.04794	0.5
289.16647	2.0
305.21097	0.7
349.06860	0.6
349.16647	0.5
349.20389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1877
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01770	2.3
57.03326	3.5
58.00483	3.9
58.89836	0.8
59.01267	100.0
60.01614	2.0
69.03359	1.0
69.30903	9.7
71.01273	91.3
72.01609	2.3
72.99204	7.1
73.02834	11.8
75.00742	1.5
83.01284	5.1
85.02843	27.3
87.00752	5.4
87.04408	1.8
89.02340	76.1
90.02684	1.5
92.89409	0.8
95.01296	6.8
98.20600	1.9
99.00774	5.1
99.04482	1.0
101.02347	62.5
102.02711	1.3
106.13720	0.8
113.02364	37.5
114.02710	1.3
119.03418	33.3
125.02397	1.5
129.01892	1.0
131.03429	2.9
139.05127	1.1
143.03441	7.7
149.04532	2.3
159.02910	4.2
161.04501	21.1
162.04849	1.7
169.08540	1.3
171.07895	0.9
179.05571	11.9
187.13393	11.4
201.11259	1.2
211.84372	0.8
216.23837	0.8
217.10812	1.1
331.09540	2.0
349.10126	3.6
349.15073	8.9
349.18759	86.7
350.15353	1.2
350.19131	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	349.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01612	0.9
61.92550	0.4
70.30857	1.7
70.31284	1.0
73.12023	0.5
88.68306	0.6
89.67394	0.5
95.93071	0.5
98.19859	0.5
355.06219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91946	0.3
57.03328	0.4
59.01265	100.0
60.01600	1.3
63.57105	0.4
69.48067	2.4
69.48478	0.9
71.01274	4.6
73.02811	0.5
83.01295	0.5
85.02852	1.3
87.00810	0.5
88.31031	0.4
89.02342	3.5
99.04470	0.4
100.53528	0.4
101.02350	3.2
101.05989	0.6
113.02371	2.4
119.03435	1.7
120.05068	0.4
120.34672	0.4
143.03415	0.5
150.27412	0.4
161.04538	1.2
169.08702	0.4
179.05589	0.4
179.29163	0.4
187.13333	0.5
191.68979	0.4
331.09058	0.4
336.37799	0.4
349.11108	0.5
349.15182	1.0
349.18896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56680	1.8
53.54437	1.5
59.01262	18.7
71.01270	13.4
72.99193	1.8
73.02831	2.0
84.04435	2.1
85.02831	3.3
87.00748	1.8
89.02344	10.5
94.26170	1.5
95.04913	3.4
99.04405	2.0
101.02362	7.9
110.06031	79.4
111.06369	2.9
113.02333	5.4
116.04962	14.1
118.06529	4.8
119.03403	4.0
121.83662	1.6
122.06039	89.9
123.06363	3.6
125.02338	2.0
144.03351	2.1
144.04478	42.1
145.04887	3.5
146.06094	2.9
147.03172	2.8
155.39406	1.8
161.04485	3.0
162.04280	3.5
162.05551	49.3
163.06303	4.1
166.05029	1.7
179.28706	1.7
188.03455	9.3
195.05345	3.6
215.09407	1.4
215.11615	1.9
255.11458	20.7
267.11447	62.0
268.11746	6.7
273.12497	10.8
285.12512	100.0
286.12790	7.6
303.13593	19.1
347.12631	7.5
347.17001	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	345.2441
Annotation	Ginkgoic acid
Peak:m/z	Relative Intensity
56.22115	0.7
59.01262	1.2
61.98726	1.2
71.56454	0.8
95.04959	1.0
182.34320	0.7
182.36073	0.7
231.17467	3.8
269.19388	0.9
273.22296	3.0
285.22287	11.1
286.22598	1.0
290.97107	1.5
301.25412	4.6
345.24399	100.0
346.20807	1.5
346.24698	12.2
353.50723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.4
59.01259	38.0
71.01268	64.9
71.51827	10.4
72.99194	7.6
73.02845	9.5
83.01299	11.3
85.02836	20.0
99.00798	28.9
101.02369	12.2
110.26239	8.4
111.00780	23.4
112.98715	74.9
115.00314	9.5
125.02374	17.3
129.01863	39.1
130.64093	8.1
142.99788	100.0
145.01372	11.3
168.06535	9.4
173.00890	73.8
173.78281	9.0
232.73441	9.3
260.09814	8.3
293.41315	7.3
294.02701	8.0
302.76883	7.7
347.07767	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	347.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
59.24909	0.6
67.01767	0.5
67.56261	0.5
68.99718	0.6
69.74389	1.8
69.74818	2.0
79.05447	0.6
81.03321	0.8
83.39508	0.6
84.04443	1.6
88.65218	0.6
89.02365	0.9
93.03326	0.6
93.85829	0.5
95.04942	3.3
96.04428	1.2
97.01588	0.6
99.04419	1.2
101.02361	0.9
104.76290	0.5
105.38827	0.6
107.03683	2.0
108.04430	1.0
110.06027	48.7
111.06364	1.6
112.03914	0.6
113.02355	0.7
116.04187	0.5
116.04993	10.8
117.05296	0.6
118.06544	6.1
120.68341	0.6
122.06041	60.8
123.03214	0.7
123.06336	1.8
124.03956	1.1
132.04460	1.1
134.06046	0.7
136.03975	0.8
144.04491	41.8
145.04840	2.1
146.06024	1.5
147.03120	1.4
153.13414	0.6
162.05554	45.9
163.06284	4.1
164.03510	0.7
166.05048	0.9
188.03496	8.4
195.05353	2.8
215.11861	0.8
241.13490	0.7
243.11449	0.8
255.08757	0.9
255.11429	15.4
256.11795	1.3
257.12766	0.9
267.11456	48.8
267.71497	0.6
268.11835	4.9
273.12494	12.6
274.12860	1.1
285.12524	100.0
286.12848	8.2
303.13580	24.6
303.17102	0.9
304.13882	2.6
329.11633	1.1
347.12540	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	345.1561
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01761	3.9
57.03319	1.8
58.00468	2.3
59.01264	52.4
61.65573	0.9
69.03336	0.9
69.60977	0.8
71.01268	49.5
71.54771	0.9
72.99180	3.0
73.02836	10.5
73.03218	1.5
75.00753	1.2
75.37072	0.9
78.66928	0.9
81.23271	0.9
83.01276	5.4
85.02840	19.6
86.03135	0.9
87.00769	3.4
89.02335	24.0
95.01279	3.8
96.95851	1.2
97.02839	1.1
99.00777	4.5
101.02348	36.2
102.02637	1.1
108.72889	1.0
111.33521	0.9
113.02350	17.6
119.03415	13.4
121.02810	1.3
121.10160	5.2
125.02365	1.0
132.04485	2.5
133.05193	0.8
137.02301	1.1
139.11226	0.8
143.03442	1.3
159.02986	1.8
161.04489	5.2
165.04262	1.0
165.09171	2.2
179.05544	1.1
183.10182	2.1
232.69727	0.9
301.11389	1.8
301.16501	1.8
345.11200	6.9
345.15594	100.0
345.22702	4.2
346.15970	8.0
351.78561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.9
61.98722	0.3
67.67767	0.3
68.99723	0.3
71.01277	1.7
71.61858	0.5
72.99187	0.4
80.04940	0.5
84.04469	1.5
85.02818	0.4
86.02391	0.4
87.00777	0.3
89.02354	1.2
94.02892	0.7
94.06520	0.6
95.03663	4.2
95.04958	0.3
95.64431	0.3
96.00787	0.5
96.04462	0.5
96.08083	1.6
96.95882	0.4
97.01586	0.7
101.02367	0.9
104.04964	2.4
106.06531	7.1
107.03693	0.5
107.06863	0.6
108.04450	0.8
110.06023	0.5
112.03964	1.2
113.02390	0.6
113.64178	0.3
118.38081	0.3
119.03401	0.6
120.04451	0.7
121.02850	0.6
121.10125	0.7
122.06040	3.8
123.03156	1.5
123.04414	0.4
124.07593	7.1
125.07904	0.3
132.04478	47.8
133.05269	22.8
134.06065	7.7
136.03958	0.3
137.04721	0.5
138.05566	1.6
146.02408	0.6
148.04007	2.2
149.04755	0.4
150.05586	2.0
160.07628	0.5
161.04634	0.4
161.07193	0.4
165.04263	35.3
166.04648	1.2
171.06804	0.6
176.03561	1.6
176.07104	1.0
177.04253	4.4
178.05055	1.8
183.10275	1.0
184.07640	1.4
185.08406	0.9
186.09219	6.5
187.05223	0.6
187.08585	0.7
198.09250	1.6
207.71713	0.3
209.03233	7.5
210.03838	0.6
212.10762	0.6
213.06688	4.8
214.07085	0.4
214.10703	0.2
214.12360	8.9
215.11877	9.7
216.12210	0.5
226.07487	1.6
227.08223	1.2
228.08934	0.6
229.09811	4.5
239.08202	0.4
240.10579	2.2
241.09856	4.5
242.10263	0.7
255.11440	1.3
257.12988	38.5
258.13358	2.8
268.08682	0.4
268.93616	0.3
272.08133	0.4
283.10950	9.6
284.11276	1.1
301.11996	29.8
302.12372	2.7
327.09952	2.5
328.10519	0.5
345.10971	100.0
346.11292	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	345.1198
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
52.14408	0.7
55.01745	0.8
57.03341	0.8
57.39404	0.6
58.00466	1.1
59.01265	42.8
67.05423	1.1
69.03336	0.7
70.67738	1.8
70.68073	1.1
71.01273	19.3
72.99181	1.6
73.02821	2.8
77.47322	0.8
80.02573	0.9
81.03336	1.2
83.01286	1.7
83.04915	0.9
85.02843	5.7
87.00761	1.5
89.01847	0.6
89.02338	15.7
92.89423	0.7
93.06980	1.5
95.01289	1.0
96.95929	1.1
99.00762	0.9
101.02347	9.7
106.04141	3.9
109.02885	1.4
111.04492	0.9
113.02371	8.2
115.03905	1.9
119.03461	5.3
119.04942	1.4
119.08575	2.9
121.06512	25.2
122.06814	1.0
128.89940	0.8
132.04463	1.8
138.03131	1.1
139.07582	100.0
140.07916	3.6
143.03426	1.3
147.04480	2.0
161.04506	1.7
163.07588	7.3
165.04277	1.5
165.05522	8.2
179.05595	1.8
183.02977	2.6
183.06595	44.5
184.06905	2.3
197.01213	1.0
217.24368	1.0
285.09949	1.0
301.11945	1.6
302.49634	0.9
336.09271	0.8
345.07413	0.7
345.11249	5.5
345.15527	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1098
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01245	1.4
65.13737	0.9
70.85626	1.1
70.85941	1.3
83.47610	0.9
94.02843	0.8
94.06485	0.8
95.03671	2.6
95.09515	0.8
96.08089	1.2
106.06514	4.8
108.04485	2.4
122.06018	1.4
124.07613	5.7
132.04485	25.9
133.05281	20.8
134.06075	5.0
135.64449	0.8
139.02046	0.8
148.03998	1.1
150.05519	1.9
165.04248	17.4
176.03548	1.3
177.04320	2.2
183.10237	3.5
186.09200	4.5
209.03317	3.6
213.06720	3.4
214.12369	7.1
215.11909	4.0
226.07523	0.8
227.90785	0.8
229.09880	2.2
239.12050	0.9
240.10374	1.2
241.09822	3.6
255.11337	1.2
257.12994	21.0
280.77798	0.8
283.10986	5.6
285.33273	0.9
301.08701	1.1
301.12009	16.1
302.12390	1.9
327.09897	1.3
345.10977	100.0
346.11279	11.7
361.47678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.1
64.16134	0.9
66.03345	1.1
71.01258	3.7
71.62012	1.1
71.62445	1.2
72.99164	1.0
73.71577	1.0
77.50274	1.1
89.02326	1.7
90.03406	1.3
92.04958	2.5
94.06522	31.0
95.06822	1.7
95.15640	1.1
100.52206	1.0
106.02865	1.1
113.02364	2.1
120.04469	66.2
121.04810	3.1
123.04455	1.1
124.07567	1.1
127.86561	0.9
134.06029	1.4
135.03183	4.2
138.05499	8.9
139.03943	7.6
152.07086	2.9
164.03482	43.7
165.03809	1.7
172.84982	1.2
172.90759	0.9
178.05135	1.2
181.08614	2.0
181.10318	1.1
182.04555	100.0
183.04898	2.9
200.67377	1.2
224.05783	6.2
344.09943	16.8
344.14590	1.5
368.04974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96061	0.5
53.10857	0.4
59.01268	5.2
65.03506	0.5
66.57725	0.5
71.01274	4.1
71.60041	0.7
73.02843	0.6
75.00787	0.4
79.20256	0.5
85.02843	1.0
93.03358	4.0
95.04955	0.5
101.02367	1.2
108.02077	12.2
109.02866	25.9
110.03210	1.1
113.02381	0.7
115.00290	4.5
119.04943	0.9
121.02879	5.7
122.03663	6.6
122.32537	0.5
123.04432	2.0
124.01580	0.7
130.04121	0.6
131.04869	0.9
132.05775	0.8
133.02940	0.6
133.06503	0.8
135.04437	2.8
136.05235	5.1
137.02397	1.5
137.05986	0.7
139.03995	0.7
140.07115	4.1
145.06552	2.0
147.04424	1.0
148.05203	0.7
149.05992	0.9
154.02632	0.9
161.06012	1.1
165.05528	0.7
166.06282	1.1
179.07146	0.8
180.04276	6.8
180.07809	0.7
181.04953	1.9
181.06424	0.5
181.08667	2.0
187.01712	0.5
193.05029	0.7
197.05965	0.6
199.07744	0.5
210.06891	0.7
213.09227	0.8
215.15437	0.6
222.06879	0.6
223.09760	13.9
224.10152	0.7
225.05594	0.6
226.06366	15.4
227.07127	12.2
228.07544	1.0
235.07513	0.5
239.07242	1.7
239.96501	0.4
240.08142	0.5
253.08736	4.0
254.09273	0.6
255.10310	100.0
256.10645	9.3
283.40649	0.5
299.09344	1.4
309.14621	0.8
343.08423	11.8
343.14102	9.7
344.08701	0.9
344.14719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	0.3
53.11261	0.3
57.03323	0.7
59.01265	3.8
59.22155	0.3
60.04248	0.3
69.03353	0.5
71.01258	0.3
71.04884	0.8
71.60904	0.3
73.02851	0.7
83.04890	0.8
85.02856	0.7
93.03365	2.9
95.04896	0.5
96.95892	0.6
97.06474	0.5
106.04178	0.4
108.02068	2.2
109.02898	1.6
119.04877	0.4
121.02874	34.8
122.03228	1.0
123.04434	3.1
123.08038	0.4
124.26297	0.4
134.03679	0.7
135.04453	1.9
135.08076	0.7
143.03282	0.3
147.04460	6.4
153.09082	0.4
155.79419	0.3
159.04411	0.6
160.05194	0.4
161.02425	0.3
161.06015	0.7
162.06821	1.4
163.03909	0.5
171.10216	9.3
172.10510	0.4
173.02382	0.3
175.07608	0.8
181.06557	0.4
183.08070	0.5
185.06041	0.8
185.11671	0.3
186.87241	0.3
194.05836	1.7
195.04565	0.4
196.05266	0.8
197.06041	1.0
197.09795	0.5
197.11804	0.5
197.73959	0.4
199.07652	1.3
201.11229	0.4
206.05850	0.6
206.56088	0.3
209.06068	2.4
210.06770	1.2
211.04015	1.0
211.07632	1.1
212.04742	2.2
213.05527	2.1
213.09193	1.0
223.03987	0.7
223.07692	1.5
224.04741	0.7
225.05611	2.6
225.09145	1.4
226.06361	2.3
227.07143	3.8
228.07616	0.3
229.14439	0.4
236.04898	0.4
237.05556	4.4
238.06248	1.0
239.03584	1.0
239.07179	0.7
240.04289	5.1
241.05098	5.0
241.08748	4.1
242.09174	0.3
250.06322	0.3
251.07141	2.2
251.22879	0.3
252.07907	1.5
253.05096	2.5
253.08679	0.4
254.05869	4.5
255.06673	19.6
256.07208	1.9
257.08173	0.7
267.06631	1.6
268.07471	13.0
269.08231	47.9
270.05588	0.6
270.08545	4.7
271.09723	0.5
272.06979	0.4
282.09323	0.4
283.09808	25.8
284.10468	8.1
285.10962	0.7
295.06149	0.5
296.06924	1.1
298.08472	0.7
299.09525	0.5
299.12891	3.6
300.13254	0.4
310.08441	0.6
311.09314	27.9
312.09717	2.7
325.10782	1.0
327.08780	0.7
328.09598	14.1
329.10120	1.4
343.11932	100.0
344.12241	11.1
344.21606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43196	0.4
57.03347	0.6
58.00475	0.9
59.01267	15.3
61.02009	0.5
61.98716	1.1
65.21069	0.4
68.56640	0.4
69.03338	2.1
70.12088	0.4
70.78043	1.3
70.78412	0.7
71.01273	10.1
71.04904	0.5
72.99188	0.6
73.02856	0.5
82.81555	0.5
83.01260	0.7
83.04916	0.8
84.02059	22.9
85.02398	0.6
85.02851	1.3
87.00787	0.8
89.02337	11.2
95.01368	0.6
97.02842	8.1
97.06478	1.2
98.81989	0.5
99.04424	4.5
101.02340	5.0
113.02357	3.8
119.03417	3.5
119.08571	3.1
121.02873	0.6
125.09649	0.9
127.11218	1.6
131.03456	0.7
135.04442	0.5
135.08099	2.0
137.09677	2.5
143.03416	1.5
153.09201	0.5
161.04500	1.6
161.90175	0.4
163.00856	1.2
171.10222	59.7
172.10625	2.8
174.06883	0.5
177.05605	0.6
177.09171	0.6
179.05583	5.5
183.01236	0.6
193.12285	0.8
197.02754	2.3
203.04106	2.2
204.04854	11.4
205.05276	0.9
205.08609	0.6
212.37752	0.6
215.10728	1.2
216.07788	0.7
222.75372	0.5
225.14922	0.8
229.04471	1.4
230.02554	0.5
235.09697	2.8
237.18616	1.9
239.12787	0.6
253.14616	0.8
259.09814	1.2
269.03705	11.4
270.04053	0.9
281.12427	1.1
281.17581	1.5
291.19720	1.7
326.11765	0.5
341.05798	28.8
341.10782	6.9
341.14374	2.1
341.18359	5.2
341.23376	100.0
342.06006	3.8
342.10724	0.8
342.18033	0.6
342.19092	0.6
342.23764	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	341.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.8
60.68245	0.5
71.01272	6.6
71.47501	1.0
72.99200	0.7
77.62167	0.4
81.18544	0.4
85.02848	1.2
87.00777	0.7
89.02327	7.4
93.03365	4.8
95.01261	0.5
101.02351	2.7
105.03361	1.7
106.04160	0.6
107.04967	1.1
108.02085	3.9
109.02866	1.8
109.06512	2.9
113.02363	2.7
119.03445	2.5
119.04950	0.7
121.02864	6.7
122.03656	6.5
123.04443	2.6
132.02101	1.5
133.02888	13.7
133.10202	2.0
134.03703	0.8
137.02373	2.1
143.03497	1.2
143.04994	0.6
149.02371	6.5
157.06502	1.9
159.08076	4.1
161.02386	13.0
161.04471	1.1
162.03102	1.4
163.03903	1.4
167.03462	2.1
171.04451	0.6
174.03241	1.2
174.06763	0.6
175.03935	2.4
175.07631	0.7
176.08395	1.6
177.09174	46.8
178.09520	2.5
179.05597	3.1
185.06000	3.0
189.05476	0.6
189.09174	3.4
197.02721	0.9
203.07120	6.6
205.08693	0.7
217.08681	2.2
221.08131	3.1
229.08664	3.1
230.09319	0.8
237.05637	0.8
238.06369	0.7
239.07198	1.7
250.06343	0.8
253.05090	2.1
254.05658	0.8
254.09586	0.7
255.06721	1.5
256.07501	2.4
262.08591	1.2
267.06790	3.2
267.13974	2.2
268.07129	0.8
279.13925	0.6
293.11932	4.0
295.13455	0.8
300.06418	1.0
308.10532	1.4
311.12958	100.0
312.13318	9.3
323.12961	41.8
324.13306	4.0
341.14087	54.3
342.14371	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	341.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19660	2.7
57.03331	3.2
58.00476	4.3
59.01262	100.0
61.98703	5.4
69.52129	25.5
71.01270	57.6
72.99206	3.7
73.02835	7.3
75.00751	5.9
83.01263	3.2
85.02840	12.3
87.00758	5.0
89.02341	47.3
91.38860	2.7
95.01289	4.7
96.95872	3.7
98.19864	6.4
101.02361	30.8
101.89268	2.7
105.18105	3.1
113.02352	26.7
116.42828	2.8
119.03415	15.7
119.07040	3.9
131.03426	3.5
135.04434	13.9
138.01045	2.8
149.04468	7.4
153.06357	2.6
161.04480	17.2
164.43457	3.1
173.18192	2.9
179.03410	3.7
179.05576	17.0
281.12564	37.4
297.20383	2.9
308.54425	2.5
310.70459	2.9
341.11047	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1095
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.50296	1.1
57.03333	1.6
58.00476	3.5
59.01263	100.0
60.01612	2.5
69.68436	8.2
70.57612	1.1
71.01269	69.5
72.99214	2.7
73.02831	4.9
75.00795	1.4
83.01270	2.6
85.02843	9.6
87.00770	6.0
89.02338	93.4
94.19567	1.2
95.01281	3.9
98.20610	1.4
101.02343	31.8
113.02361	23.7
119.03416	25.6
131.03426	10.2
135.04443	3.7
143.03429	5.6
149.04491	78.8
150.04836	2.4
161.04533	7.0
179.05565	26.9
266.94464	1.1
341.10950	37.1
341.14972	2.5
342.11386	1.4
345.20361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1095
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01747	1.3
57.03326	1.2
58.00476	4.0
59.01263	74.4
60.01600	1.5
70.08832	3.6
71.01268	59.7
72.99200	4.2
73.02847	5.8
85.02836	7.8
87.00785	6.5
89.02333	83.5
90.02691	1.7
95.01293	2.6
97.02802	1.2
101.02341	23.9
101.03008	1.2
102.02743	1.1
103.03884	1.9
113.02363	15.0
119.03410	23.0
122.13586	1.2
131.03416	8.3
135.04514	2.1
143.03438	8.0
149.04495	100.0
150.04860	2.9
161.04466	8.2
179.05566	31.0
341.10959	42.0
342.11258	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	341.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76424	0.6
54.86618	0.6
57.03349	0.7
59.00966	1.1
59.01267	21.7
60.51289	0.6
69.03346	1.1
71.01271	15.3
71.60775	0.8
71.93381	0.6
72.99195	1.4
78.81755	0.6
79.25018	0.6
80.07653	0.7
83.23656	0.6
84.02049	8.2
85.02843	3.9
87.00783	0.9
89.02339	16.6
97.02843	3.2
99.04427	1.8
101.02341	7.8
113.02361	7.2
119.03422	6.7
119.08592	1.1
121.02886	14.0
123.04433	1.8
125.09650	0.7
127.11117	0.7
131.03412	0.7
134.03703	1.7
135.04451	18.7
135.08139	0.6
136.04791	1.5
137.09618	1.1
143.03389	1.2
147.04454	1.6
148.01605	2.5
149.02388	79.4
149.06003	7.3
150.02711	3.0
161.04518	2.8
161.06042	6.5
171.10211	17.9
171.11658	0.9
172.75888	0.7
176.08406	12.9
179.05569	8.5
183.13834	1.1
191.10751	100.0
192.11104	7.4
197.02692	1.1
204.04880	2.0
269.03656	2.5
281.12463	1.4
291.19763	1.1
297.11307	0.9
341.05817	5.4
341.10800	10.1
341.14133	8.8
341.18481	2.6
341.23383	36.7
342.14539	1.6
342.23633	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15203	0.8
56.54964	0.8
58.00498	0.9
59.01263	26.8
59.42927	0.8
61.98706	1.6
67.01825	0.8
69.77587	4.2
71.01268	19.0
72.99203	1.6
73.79568	0.8
85.02849	3.1
87.00745	1.2
89.02341	26.7
95.01315	1.6
97.02843	1.2
97.06465	1.8
98.20464	1.1
101.02346	11.7
113.02357	7.6
119.03403	9.1
121.02912	1.4
126.86503	0.8
131.03391	1.6
143.03423	2.4
149.04527	1.7
151.98450	0.9
154.80234	0.9
161.02382	0.9
161.04517	4.4
161.05696	0.8
179.05563	13.6
179.07008	1.0
183.01207	4.0
185.06110	1.6
195.04453	1.2
197.02635	1.0
199.03958	1.3
209.06129	0.9
211.04045	2.5
212.04790	2.5
213.05576	3.2
217.05035	9.6
217.06665	1.0
221.06129	1.0
223.03944	1.6
225.05585	3.2
225.09216	1.9
227.07077	1.1
235.07681	5.3
237.05594	3.6
237.09258	1.5
238.06393	7.9
239.03624	1.6
239.07138	18.0
240.04338	5.2
240.07425	2.1
241.05009	2.5
244.10863	1.1
251.07091	1.4
252.07898	3.8
253.01485	1.7
253.08733	67.0
254.09462	34.8
255.09875	3.3
257.04672	1.1
263.07199	6.4
264.08060	2.0
265.05096	2.4
266.05920	6.4
267.03400	0.9
267.06598	2.8
268.03748	1.3
272.07123	1.1
276.06531	1.3
281.05344	0.6
281.08255	17.9
281.12497	1.9
282.08783	3.4
285.03976	1.8
291.06686	1.1
293.00381	0.9
300.06454	3.3
309.07770	3.2
311.02008	1.1
313.10883	100.0
314.11261	9.4
341.10498	77.9
341.17395	14.0
341.23370	2.0
341.27145	1.7
342.10712	7.6
342.18149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	13.3
61.98699	0.7
66.99527	0.7
70.76035	0.7
71.01270	11.0
71.60197	1.0
72.99200	0.8
85.02847	1.6
85.10155	0.7
86.54223	0.6
87.00772	0.9
89.02340	17.8
91.57513	0.7
101.02347	7.3
113.02371	7.1
119.03397	8.0
131.03426	1.1
133.02867	1.5
143.03435	2.1
157.06512	1.4
159.04443	1.7
160.05263	0.8
161.02357	1.5
161.04521	2.9
167.04893	1.3
177.09160	3.2
179.05585	10.1
182.03616	0.9
183.01215	1.0
184.05203	1.8
185.06041	14.2
186.06528	0.8
187.03949	3.5
194.07570	0.8
194.81827	0.7
195.04480	2.3
196.05208	1.6
197.06003	1.5
198.03244	2.1
199.03932	2.8
199.07564	1.5
205.08665	0.8
207.08061	0.9
209.05928	1.2
211.04007	10.5
212.04742	15.9
213.05556	32.7
214.05956	2.6
215.07060	0.6
223.07516	1.2
224.04848	0.9
225.05600	2.4
225.09225	5.0
226.02734	2.4
226.06226	0.7
226.09959	5.1
227.03503	2.3
227.07095	7.6
228.07790	1.0
229.05084	0.7
235.07736	3.2
236.08369	0.9
237.05553	1.8
237.09308	3.8
238.06358	2.0
239.03513	1.7
239.07167	6.1
240.04308	18.8
240.07910	1.9
241.05066	34.6
241.08679	6.8
242.05444	2.7
251.07162	0.9
252.07893	1.3
253.08749	10.0
254.09515	64.4
255.06532	0.8
255.07347	0.9
255.09886	6.4
263.07007	1.0
265.08755	4.9
266.05930	1.2
267.06622	2.1
267.32120	0.7
268.03903	1.7
269.04614	22.9
270.05035	1.9
272.06943	13.9
273.07321	1.2
281.08258	6.8
281.11386	0.7
281.12228	0.6
282.09033	41.3
283.09616	5.5
285.04160	13.7
285.11218	0.9
286.04410	1.5
300.06454	29.2
301.06812	2.7
309.07797	2.3
311.12939	6.8
313.10873	8.9
314.11331	0.9
323.09457	0.8
323.12943	3.0
326.11804	0.8
341.10425	100.0
341.13684	3.9
341.17786	8.0
342.10773	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	341.0585
Annotation	Coumachlor
Peak:m/z	Relative Intensity
57.97444	0.3
59.01268	4.8
68.02129	0.3
69.87140	1.7
71.01267	3.1
76.58321	0.3
78.61682	0.3
83.04887	0.3
83.45793	0.3
85.02866	0.4
86.64471	0.2
89.02330	4.2
97.06467	1.3
98.20490	0.5
101.02351	1.5
113.02355	1.3
119.03440	1.4
131.04959	0.4
133.56119	0.3
143.03445	0.5
145.05240	0.3
147.02933	0.3
158.06081	0.5
161.04463	0.6
162.00192	0.4
163.00923	4.6
164.02997	1.0
170.06049	1.2
171.06828	1.9
171.10207	1.0
177.03735	0.8
179.05568	2.2
189.02567	0.5
193.12291	2.3
195.05623	1.0
196.06364	1.5
197.02715	0.6
202.03267	3.1
203.04068	6.8
204.04869	41.3
205.05191	2.3
209.98619	0.5
211.13486	0.8
216.04929	0.6
216.98315	0.4
225.14957	3.2
226.03165	3.0
228.55814	0.3
229.04427	3.5
230.02777	1.3
232.04329	1.5
241.09703	0.4
243.15971	1.3
246.04697	0.7
251.02631	0.7
258.02179	0.7
269.03714	40.6
270.04163	2.7
308.07913	1.0
341.05835	100.0
341.23386	13.7
342.06161	7.9
342.23608	1.0
344.87921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0886
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.37376	1.5
59.01265	14.0
62.24557	1.5
65.65541	1.2
68.19418	1.5
71.01266	10.9
71.59070	2.3
77.53474	1.4
89.02337	9.6
94.28938	1.4
101.02357	6.0
113.02347	3.8
119.03399	2.5
126.32090	1.4
130.16722	1.4
133.02881	19.4
135.04454	32.3
138.05608	2.3
161.02400	100.0
162.02719	4.8
163.24648	1.4
177.02007	1.6
179.03474	30.6
179.05307	2.2
180.03842	2.0
192.20999	1.5
251.05608	2.1
341.08594	15.2
344.22446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0885
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.86515	0.4
55.23609	0.4
56.45961	0.4
59.01271	4.7
63.07851	0.4
68.85564	0.4
71.01274	2.5
71.62244	0.6
75.00798	0.6
84.70837	0.4
85.02869	0.5
87.00790	0.5
87.70895	0.4
89.02330	2.8
91.05441	0.7
101.02349	0.8
107.04943	1.4
112.96930	0.4
113.02369	1.1
119.03416	1.0
129.57753	0.4
134.03664	3.2
135.04446	97.4
136.04771	4.3
137.02376	2.3
137.05949	0.6
138.05527	3.6
143.03473	0.4
147.04462	0.4
151.00359	0.6
161.02429	0.6
161.04541	0.4
179.03458	100.0
180.03828	4.9
193.05125	0.5
257.73840	0.4
341.08627	6.5
342.08862	0.5
351.67603	0.6
356.93396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08366	1.3
55.12084	1.3
59.01263	100.0
62.29237	1.4
65.58674	1.4
70.72234	3.6
71.01266	5.4
73.02838	1.6
76.83820	1.4
77.61069	1.1
85.02836	2.8
101.02339	4.7
113.02342	2.2
116.05433	1.2
117.05476	2.5
119.05745	1.4
147.12907	1.3
161.04494	4.4
174.84746	1.4
177.01868	4.4
273.21045	1.2
279.14606	11.9
339.07303	1.6
362.12991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2336
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
61.06469	0.3
64.03095	0.3
70.92673	0.7
70.93002	0.4
86.47734	0.3
95.26498	0.3
110.31169	0.3
129.89447	0.4
163.11243	100.0
164.11598	4.9
339.23355	46.9
340.23666	6.6
351.40323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	29.3
61.98719	100.0
64.99437	1.3
71.01272	19.5
71.60898	2.1
72.99206	1.7
73.02848	1.5
85.02846	2.7
87.00772	2.2
89.02342	25.8
101.02341	11.2
113.02359	8.0
118.86375	1.2
119.03426	10.0
121.17000	1.2
131.03406	2.2
143.03487	3.1
149.04535	2.2
161.02397	1.2
161.04530	4.9
179.05574	17.3
202.08885	1.2
238.06285	1.2
326.08057	2.1
340.07074	2.7
340.12762	1.6
340.25711	1.3
341.06857	1.4
341.10782	28.5
341.13657	2.3
341.23300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
65.94632	1.3
70.33392	1.1
71.01278	7.9
71.59780	1.4
73.02831	1.7
85.02860	2.9
88.40352	1.1
89.02344	2.5
90.82635	1.0
99.00813	2.9
99.52592	1.2
101.02356	7.0
109.02852	7.5
111.00787	1.4
113.02357	3.8
116.35035	1.2
117.05425	1.6
119.03458	1.7
121.02837	1.2
125.02353	3.5
133.02869	3.7
135.04427	4.6
147.04446	10.5
148.05179	3.9
149.02414	1.7
149.06035	9.9
159.04471	1.5
161.02379	7.6
161.04497	5.4
161.06009	5.0
163.03932	1.7
174.03194	1.7
175.04005	8.7
176.04559	1.9
176.75694	1.3
177.01906	16.7
177.05527	1.7
178.02347	1.3
179.03511	1.5
179.60370	1.1
185.04408	1.3
189.05554	6.9
191.03456	1.2
191.07101	2.9
205.05006	2.9
216.41370	1.3
217.05080	6.4
219.03027	2.7
235.06154	6.6
237.04062	4.5
238.04076	1.3
277.07239	1.8
279.05145	3.4
279.14548	18.2
295.08249	5.8
310.86078	1.4
339.07288	19.1
340.07501	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	339.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00692	0.6
51.96427	0.5
58.34092	0.6
59.01265	79.3
60.01607	1.2
62.25089	0.6
69.03360	1.4
70.90928	0.6
71.01266	5.6
71.49638	1.3
72.93045	0.6
72.99223	0.7
73.02840	4.1
75.00771	2.5
83.01292	2.0
85.02836	3.0
87.57906	0.6
89.02349	4.2
95.01296	1.4
96.95879	0.6
99.00783	0.7
101.02346	8.5
107.78530	0.6
112.38044	0.6
112.73326	0.6
113.02353	12.6
114.79173	0.6
117.05491	100.0
118.05846	2.4
119.03410	4.0
131.03439	1.4
157.87170	0.7
159.06541	2.5
161.04520	2.5
163.11160	0.7
189.07668	2.4
219.08687	1.4
279.10999	0.9
337.73492	0.7
339.12845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1607
Annotation	Gancaonin Z
Peak:m/z	Relative Intensity
51.00793	0.3
51.51661	0.3
59.01262	4.5
61.98717	0.5
65.03846	1.0
67.36572	0.4
69.11544	0.3
71.01268	0.6
91.05427	9.9
92.05800	0.4
93.03351	2.2
94.05023	0.3
103.05399	0.4
105.03332	0.4
108.02061	0.8
109.02875	1.7
113.02331	0.5
119.04933	0.7
121.02868	42.7
122.03233	1.1
131.20502	0.4
133.02893	2.3
134.03653	0.7
135.04446	62.8
136.04735	2.0
138.99530	0.3
147.04451	13.0
148.04793	0.4
149.02348	0.5
149.06030	1.5
161.06024	15.4
162.06325	0.8
163.11273	0.8
173.06067	0.7
175.07571	1.3
176.08405	3.0
183.01060	0.4
187.07614	5.7
189.09163	4.3
191.10754	17.8
192.11072	1.4
201.09186	8.9
202.09970	8.2
203.10529	0.4
215.10818	0.5
217.12334	36.3
218.12666	2.8
255.06644	1.1
284.95862	0.3
309.11487	0.4
321.10651	0.4
324.09995	0.6
339.16061	100.0
340.16406	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	339.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.2
61.95333	0.4
61.98709	0.6
62.67498	0.4
64.29748	0.4
65.03848	0.9
69.25557	4.6
74.23895	0.3
93.03349	3.5
95.01249	0.5
95.04948	0.7
105.03363	0.9
106.04113	0.5
107.04942	2.8
108.02077	10.5
109.02865	5.2
109.06499	5.4
121.02873	9.9
122.03661	13.7
123.00779	0.4
123.04478	4.2
124.04739	0.5
131.38927	0.4
133.02876	7.7
133.10158	3.2
134.03633	1.8
135.00743	0.6
135.04448	4.9
136.01598	1.1
137.02335	2.6
143.04951	1.2
144.05705	0.6
149.02379	7.7
150.03133	1.2
151.68521	0.4
157.06549	2.7
159.04437	0.7
159.08099	5.7
159.35031	0.5
161.02385	20.8
162.02916	1.4
163.00298	0.9
163.07579	0.5
167.03400	1.1
174.03169	0.8
175.03903	1.1
175.07619	0.6
177.09166	61.5
178.09491	3.7
185.06047	0.6
189.05504	0.4
189.09172	1.2
195.17497	1.1
203.07092	7.2
204.07906	2.3
205.08693	3.0
208.05254	0.4
209.06042	0.6
217.08682	1.5
221.08192	5.5
222.08517	0.5
224.04428	0.5
225.05568	0.7
226.06358	0.5
227.07326	0.5
231.06636	7.8
232.07054	0.9
233.08202	2.2
237.05565	1.0
238.06310	1.5
239.07109	1.2
240.07938	1.7
242.05719	0.6
249.05557	0.4
250.06454	0.9
253.05023	0.6
254.05853	1.2
255.06557	1.1
256.07574	2.4
265.05115	1.2
266.05829	0.7
267.06573	0.8
267.13898	2.1
281.11768	0.5
283.13367	0.9
293.11853	3.2
295.13428	8.7
295.22845	0.5
296.13794	1.3
309.11270	2.4
311.12946	100.0
312.13306	10.9
321.11334	1.8
339.12436	84.8
339.25351	2.5
340.12726	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	339.1242
Annotation	Futoenone
Peak:m/z	Relative Intensity
52.55322	0.3
54.15421	0.3
59.01152	4.2
59.01483	1.4
60.26699	0.3
61.98616	0.5
67.88967	0.3
71.01167	0.7
71.26894	0.5
77.46804	0.3
79.05324	0.6
79.05734	0.3
89.69187	0.3
96.95825	0.3
101.02249	0.5
107.04793	1.3
107.05430	0.4
108.01930	0.4
109.02744	0.7
109.06362	0.8
113.02271	0.5
117.05363	0.7
121.02718	1.0
130.08652	3.7
133.02748	0.6
135.04279	0.5
161.04420	0.4
163.68637	0.3
175.07477	0.5
183.04308	0.4
187.07544	0.4
196.05142	0.4
197.05960	0.4
199.07362	0.5
209.05949	0.9
210.06885	1.5
212.04633	0.6
222.06705	0.5
225.05591	1.7
226.06367	1.7
237.05667	0.4
239.03442	0.3
240.04312	4.0
241.04890	1.3
253.05096	6.9
254.05873	22.0
255.06261	2.1
265.05136	5.6
265.12363	1.8
266.05862	6.2
267.06512	0.5
277.12418	0.4
278.21295	0.4
279.06622	0.6
281.08322	0.5
281.11789	0.4
298.04858	0.7
305.08472	0.3
306.09421	0.4
309.11383	100.0
310.11725	10.0
321.11389	8.3
322.11755	1.1
339.12445	11.6
339.16171	0.4
340.12802	1.4
340.21298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.124
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
55.94828	0.6
59.01267	11.9
61.98719	0.8
63.02279	2.2
63.90082	0.5
65.00211	7.0
68.99719	0.9
70.39149	0.6
71.01273	1.2
73.02823	0.9
75.00761	0.7
78.25707	0.5
83.01289	0.7
93.03360	7.1
98.19799	2.1
105.06961	0.7
107.04976	0.9
108.02071	0.8
109.02864	0.8
109.06520	3.5
110.04196	0.6
117.05489	0.9
119.04946	63.8
120.05293	2.1
121.66560	0.6
129.06985	0.6
129.93089	0.6
131.08601	1.8
133.02966	0.6
133.06519	20.9
134.06868	0.8
136.01561	1.4
143.04964	0.6
145.02908	1.0
149.05994	1.0
151.07587	7.2
157.06503	0.7
161.02383	0.7
161.04509	1.0
162.03242	0.7
163.11253	1.0
164.01239	0.8
164.95889	0.6
165.12785	3.2
175.07596	7.7
176.01099	6.8
177.01779	1.9
180.12057	0.6
183.01138	3.0
187.03973	1.0
191.07112	1.9
193.08630	1.4
197.02740	0.8
219.06622	43.1
220.07004	2.7
225.38374	0.6
233.08199	2.5
237.07817	1.8
245.08229	3.3
253.05228	1.0
279.10541	0.7
293.11313	0.9
295.13727	0.7
297.11755	0.9
301.00238	0.6
307.08911	0.7
321.10760	1.3
339.12460	100.0
339.16306	7.3
340.12738	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0729
Annotation	Esculin
Peak:m/z	Relative Intensity
57.03345	2.6
59.01004	3.2
59.01269	46.8
62.31068	2.0
63.24288	2.0
69.03353	4.6
71.01271	6.6
71.58553	2.2
71.66604	2.0
83.01275	4.9
97.02811	2.2
101.02319	6.6
109.02852	27.3
111.00819	2.1
113.02352	3.5
117.05493	4.1
119.04997	3.0
123.04458	3.8
125.02382	10.8
133.02899	13.7
135.04445	23.7
143.04991	2.6
147.04454	32.4
148.05249	17.1
149.02448	3.4
149.06030	48.3
159.03136	3.2
159.04440	5.6
161.02386	26.8
161.04749	2.2
161.06046	17.9
163.03957	7.0
163.07607	3.4
173.06038	8.7
174.03169	7.4
175.03958	33.1
176.04721	8.7
176.18642	2.4
177.00482	3.8
177.01903	39.4
177.03415	3.6
177.04094	2.4
177.05553	6.8
179.03499	3.8
185.04512	7.1
187.03894	2.4
188.04715	2.5
189.05551	33.8
190.05865	2.4
191.03479	5.8
191.07077	19.6
193.05026	6.0
203.03528	2.3
203.07120	6.5
205.05099	11.0
217.05066	33.3
217.08432	2.5
219.02962	15.5
221.04588	9.7
235.06148	31.0
237.04047	25.1
251.09334	7.0
277.07245	7.9
279.05206	28.3
279.14563	3.0
295.08319	34.1
296.08719	3.5
339.07275	100.0
340.07639	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02276	0.4
55.50037	0.5
57.03326	0.6
59.01273	8.0
67.01776	0.9
69.03343	68.9
69.40858	4.1
70.03675	1.2
71.01264	2.2
73.02834	0.5
77.66718	0.4
79.01776	5.2
79.02155	0.5
81.03344	2.4
83.01283	0.6
85.02848	4.2
85.03312	0.6
87.00773	0.4
93.03379	0.7
95.01285	8.6
96.95927	0.9
97.02853	38.0
98.03199	1.1
107.00676	0.3
107.01295	10.9
108.02083	14.9
109.02864	24.8
110.03187	0.7
113.02362	3.0
117.03339	0.5
117.05553	0.4
119.04948	0.9
121.02875	5.0
123.00798	10.5
123.04433	1.7
125.02367	54.5
126.02682	1.3
133.02895	2.2
134.03645	1.3
134.06000	0.7
135.00797	2.1
135.04434	1.6
136.01578	2.8
137.02370	5.4
143.03445	0.6
145.02881	0.6
147.04446	0.9
149.02382	12.3
150.02748	0.6
151.00313	16.6
151.03949	1.1
152.00945	0.8
153.01877	100.0
154.02205	3.4
161.02365	0.7
162.03181	0.5
163.03941	3.3
167.03458	2.3
175.03976	0.7
177.01923	5.5
179.03476	1.1
186.63565	0.4
191.03423	1.1
195.02972	1.9
207.02936	0.7
219.03014	0.5
279.05170	18.2
280.05402	0.7
297.06226	38.3
298.06479	2.7
339.07266	36.3
339.11514	0.9
339.14102	0.9
340.07251	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	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22787	1.5
57.03317	1.6
58.00458	1.7
58.04864	1.3
59.01263	96.3
71.01267	34.4
71.53321	2.3
72.99189	4.4
73.02854	1.7
75.01981	1.3
75.37332	1.3
75.55278	1.4
83.01287	1.7
85.02840	8.4
87.00763	2.6
89.02335	36.7
95.01290	2.6
101.02341	25.6
113.02359	15.6
119.03422	18.6
124.03963	2.2
129.61237	1.3
136.04004	3.4
137.64401	1.6
138.05516	2.2
149.04459	1.7
179.05597	2.4
221.55670	1.5
277.05756	1.4
337.15097	100.0
338.15530	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0727
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01270	2.9
60.75739	0.2
65.00209	1.1
65.03851	1.4
67.01758	0.7
68.99691	0.6
70.37497	0.2
71.01262	0.8
71.60871	0.4
76.10834	0.2
80.02560	0.4
81.83743	0.3
89.02348	0.2
91.01791	49.4
92.02118	1.3
96.95918	0.3
107.01255	0.6
108.02087	1.0
109.02863	14.4
110.03196	0.4
117.05457	0.3
121.02866	0.9
123.04430	0.9
133.02834	1.3
135.00807	100.0
136.01077	3.3
137.02383	3.0
149.02367	1.6
151.03984	0.3
153.01875	70.8
154.02228	2.2
161.02452	1.7
163.03944	0.4
175.03973	0.3
177.01845	1.1
189.01898	1.4
215.63419	0.3
217.60854	0.3
279.05130	1.2
297.06277	1.3
309.07922	0.3
339.07275	36.8
340.07657	3.5
350.57434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01590	1.0
60.57997	0.6
69.84674	1.4
69.85094	3.3
71.01265	7.5
79.11185	0.7
85.02856	1.1
89.02345	10.8
89.02856	1.2
93.72575	0.6
98.19850	1.0
101.02349	4.2
101.11031	0.6
112.97844	0.8
113.02390	2.8
119.03397	4.0
126.30703	0.6
131.03432	1.3
143.03548	0.9
161.04573	1.2
179.05534	4.2
324.32150	0.8
337.15106	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	337.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01605	1.1
61.51078	0.4
63.74625	0.4
69.75338	1.9
69.75751	0.8
71.01292	1.1
77.06519	0.4
85.02840	0.8
87.00784	0.6
93.03374	0.4
98.19884	0.6
101.02410	0.4
113.02366	0.6
113.99493	0.7
119.05033	0.6
133.49545	0.4
163.03944	0.5
172.86751	0.4
191.05602	2.2
337.07822	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10159	0.4
55.62043	0.4
59.01265	100.0
60.01608	0.8
66.18933	0.4
68.95072	0.3
69.55910	0.7
69.56311	2.7
76.86463	0.4
85.02853	1.2
87.21164	0.4
101.02352	0.6
105.25299	0.4
123.03152	0.4
124.12228	0.4
136.07718	0.4
138.05551	1.0
164.53822	0.4
190.00087	0.4
191.02046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.7
61.98697	0.4
71.01259	0.8
71.59554	0.5
73.02799	0.3
79.05406	0.7
80.02555	0.9
85.02856	0.4
89.02336	0.6
91.05420	0.6
93.03355	68.7
94.03676	1.9
95.04920	8.3
95.05940	0.3
101.02356	0.8
108.02090	1.4
109.02856	2.1
119.04914	0.5
121.02871	2.0
123.04449	1.1
130.60440	0.3
133.02890	1.4
133.06473	0.5
135.04453	3.5
141.05528	0.3
145.02908	3.5
147.04434	1.1
151.66188	0.3
159.04471	1.4
161.04756	0.4
161.06044	1.6
169.06555	4.2
171.08098	1.2
173.02490	0.4
173.06023	0.6
173.09688	1.0
185.06015	0.8
189.09186	0.9
195.08211	1.0
195.93430	0.4
197.06078	0.9
199.07713	0.5
209.06172	0.4
209.09706	0.8
211.04005	0.9
211.07623	1.3
213.05498	1.9
213.09157	0.6
221.06171	0.5
222.06828	1.2
223.07635	5.3
224.08231	0.4
233.09703	0.4
235.11455	0.4
236.08340	0.4
237.09175	1.1
239.07234	0.6
239.10777	0.5
247.11307	1.0
249.09192	0.5
249.12836	3.6
250.06351	0.7
251.10823	0.6
253.05113	0.5
253.08681	0.5
255.23282	0.9
263.07111	0.5
263.10681	0.7
265.12405	5.3
266.05936	1.7
266.12775	0.6
267.06683	1.2
275.10822	0.8
278.09555	1.5
279.06824	0.5
279.10278	1.8
281.08255	34.7
282.08646	3.2
289.08585	0.4
291.06638	0.5
292.07373	1.2
293.08371	3.5
293.11874	32.0
294.09012	0.7
294.12198	3.0
306.09027	0.4
307.07169	0.4
307.09821	15.7
308.10095	1.3
321.11423	2.4
322.12149	16.4
323.12640	2.1
337.11221	4.0
337.14514	100.0
338.11475	0.4
338.14883	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	337.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
61.35956	0.2
70.15542	0.6
70.15938	0.3
89.03873	1.2
108.02121	0.4
109.02870	2.0
113.65247	0.2
117.03367	0.6
121.02870	2.2
124.96886	0.2
132.02084	0.4
133.02876	6.2
133.03831	0.5
135.04442	3.6
145.02882	5.4
146.03595	0.6
147.04442	1.0
148.38939	0.2
159.04454	3.2
161.06000	2.1
171.04465	0.5
173.06084	0.3
175.07581	0.5
176.08359	0.4
181.06491	0.3
183.04565	0.4
185.06041	1.5
189.09204	0.3
191.10754	1.3
192.10905	0.3
197.06091	0.4
200.08356	0.7
201.05513	0.2
209.06032	0.7
211.04070	0.3
211.07693	0.7
213.09184	0.6
215.10777	4.5
215.24332	0.2
216.11180	0.4
225.05510	1.1
226.46935	0.2
227.03612	0.3
228.04277	0.4
235.07634	0.3
237.05489	0.3
237.09192	0.9
239.07146	0.3
239.10730	0.5
240.04651	0.2
247.07889	0.3
251.07581	0.3
251.10643	0.4
253.05132	3.1
253.08723	0.6
253.12386	0.3
254.05626	0.3
254.13153	0.4
261.09195	0.3
263.07407	0.5
263.10880	0.8
264.07751	0.4
265.08670	0.9
266.05838	0.8
266.08545	0.2
267.06619	0.7
268.07422	2.0
269.15405	0.3
277.12421	0.5
279.06961	0.4
279.10306	2.0
280.10715	0.3
281.08243	18.5
282.08633	2.0
289.08728	0.6
291.10379	0.3
292.07477	0.7
293.08215	1.7
293.11838	0.8
294.09363	0.2
294.12616	0.7
305.11713	0.4
306.08914	0.4
306.12753	0.4
307.09814	14.5
308.10107	2.1
309.14758	0.4
319.09753	0.6
319.13254	0.3
321.08026	0.3
321.11426	3.8
322.12134	14.8
323.12567	1.8
337.14511	100.0
338.14859	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	337.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	7.8
70.13786	1.2
70.14200	0.8
79.17369	0.4
86.66884	0.4
89.03850	0.6
93.03341	0.5
96.95914	0.6
108.02049	1.3
109.02856	3.0
117.03387	1.1
121.02873	12.0
122.03215	0.4
123.04427	0.8
132.02039	0.4
133.02878	14.9
134.03224	0.5
135.04402	0.8
145.02895	11.6
146.03511	0.6
147.04453	0.8
157.02895	2.3
183.04437	0.5
185.05969	0.7
189.09200	0.8
195.08102	1.0
196.05350	0.6
197.06111	0.6
199.07579	1.4
208.05177	0.7
209.06042	1.0
211.07675	1.1
215.10793	3.9
221.05984	0.5
223.07626	2.8
224.04924	0.7
225.05453	1.0
235.07697	1.5
237.05533	1.1
238.06328	0.7
239.07156	4.2
240.04242	0.9
249.05650	0.6
250.06479	0.6
251.07141	1.7
252.04277	1.5
253.05083	2.0
261.05673	0.8
262.06259	0.6
264.04294	1.0
265.05099	1.5
266.05838	1.2
267.06665	42.8
268.04242	0.7
268.07013	3.3
279.06689	34.4
280.07074	2.7
291.10052	0.7
293.11914	0.5
305.11835	0.6
307.09753	2.2
309.11319	0.8
319.09775	3.1
321.11484	2.3
322.12143	28.1
323.12704	2.4
337.10941	8.2
337.14496	100.0
338.11130	1.1
338.14825	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	337.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39882	0.2
55.02601	0.2
58.85830	0.2
59.01265	6.0
65.41103	0.2
67.07910	0.2
71.01266	0.7
71.51041	0.2
71.59626	0.2
73.02841	0.3
82.62553	0.2
91.05441	0.4
96.95929	0.2
102.30871	0.2
105.06982	0.2
106.04153	0.8
108.02026	0.2
123.04417	0.7
131.04961	1.3
132.05745	2.9
133.06522	100.0
134.06853	5.6
163.00156	0.2
181.03139	0.2
337.07703	0.3
337.16547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	15.9
61.98708	1.5
69.76034	4.9
71.01264	1.3
76.99458	0.6
89.02323	1.0
89.03856	1.1
96.92184	0.6
96.95945	0.7
98.20555	0.8
102.14619	0.6
102.99132	0.5
108.02088	1.6
109.02844	1.6
113.02370	1.1
115.67731	0.6
117.03353	1.1
121.02867	4.8
123.04410	0.6
133.02884	10.4
133.61803	0.6
134.03610	1.2
141.01596	0.7
145.02885	10.1
157.02890	2.1
161.05923	0.7
183.04588	0.8
191.10669	1.1
194.12071	0.6
194.95705	0.7
195.08171	0.7
195.93068	0.8
197.06053	4.0
199.07599	3.0
200.08255	0.7
207.25873	0.8
208.05295	0.7
211.03967	0.9
211.07574	0.7
215.10736	4.2
221.05956	0.8
223.07642	2.8
224.04765	0.9
225.05566	3.1
235.07651	2.0
237.05693	0.8
239.07161	5.5
249.05576	3.3
250.05942	1.0
251.07153	2.1
252.04370	1.5
253.05034	3.6
265.04898	0.8
267.06665	59.3
268.07053	5.0
277.09430	0.9
279.06674	26.9
280.06982	2.6
307.09814	2.2
319.09833	1.0
319.13260	0.9
321.11310	3.2
322.08438	0.5
322.12094	12.7
337.10947	7.4
337.14502	100.0
338.11285	1.4
338.14883	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	337.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.4
60.02344	0.4
61.98703	0.4
63.38153	0.5
68.99665	0.4
69.29617	1.4
69.30042	2.6
71.01257	0.4
79.05407	1.2
93.03332	1.6
96.95908	0.8
98.20652	0.7
107.04910	2.2
108.02055	0.6
109.02826	1.2
109.06474	1.4
113.02388	0.3
121.02838	1.9
128.06209	0.4
133.02826	0.8
134.03625	0.9
143.04970	0.4
157.06522	0.8
159.04413	0.7
169.06592	0.6
171.04494	1.1
172.05225	0.8
173.05959	0.6
175.07585	0.4
181.06535	0.6
183.04427	1.1
184.05185	0.5
185.06081	0.5
186.06798	0.7
187.07515	0.8
195.04483	1.4
196.05232	2.5
197.06029	1.5
198.03178	0.4
198.06934	0.4
199.03961	0.9
199.43156	0.3
200.08344	0.6
201.05515	0.8
209.06049	3.1
210.06787	3.3
211.03975	2.0
212.04745	1.3
221.06041	1.1
221.13301	0.5
222.06819	2.0
225.05569	7.4
226.06296	3.1
237.05653	0.9
237.13133	0.4
238.06339	0.4
239.03558	1.1
240.04295	15.7
241.04855	2.0
242.05594	0.5
247.11349	0.5
249.09195	1.2
252.04256	0.6
253.05099	17.0
253.07747	0.9
254.05867	34.7
255.06287	2.1
263.03445	0.4
265.05121	12.3
265.12317	4.0
266.05829	11.0
267.06274	0.8
267.10168	0.8
277.09537	0.5
279.06848	0.7
281.04413	0.4
281.11896	1.2
291.10327	0.6
293.08118	0.5
294.08868	0.7
309.11383	72.9
310.11752	7.5
314.04349	0.5
337.10880	100.0
338.11185	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	337.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00131	0.2
55.89289	0.2
59.01265	1.4
63.15424	0.2
69.63266	1.4
70.48733	0.2
89.19041	0.2
94.13574	0.2
98.19901	0.4
132.02095	0.4
133.02876	0.7
135.04430	0.2
149.76645	0.2
152.58171	0.1
161.02370	0.2
183.04358	0.2
187.04030	0.4
209.06046	0.2
210.06688	0.3
211.03941	0.2
225.05585	0.6
226.06335	0.7
237.05562	1.1
238.06325	1.1
240.04294	0.2
253.05086	4.5
254.05829	2.9
265.05112	0.5
268.03601	0.2
269.04599	0.2
278.05722	0.2
281.04596	7.1
282.05356	8.1
283.05756	0.8
286.04807	0.9
291.10263	1.0
293.04639	8.2
294.05078	0.7
303.06488	0.2
307.06192	0.3
314.04370	10.0
315.04694	0.7
319.09821	4.7
320.10272	0.9
321.07742	1.0
322.08408	0.8
337.10880	100.0
338.11221	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	337.1089
Annotation	Crotalarin
Peak:m/z	Relative Intensity
54.37839	0.2
57.73319	0.2
59.01266	3.5
70.44938	0.9
71.05826	0.2
93.03355	0.7
95.01260	0.3
96.85049	0.2
96.95906	0.5
103.48030	0.3
107.04927	0.3
108.02074	0.3
121.02856	0.5
133.02892	0.3
133.06754	0.2
151.93488	0.2
161.02382	1.8
163.07628	0.4
175.03934	0.3
175.07663	0.3
180.05762	0.5
181.06506	0.7
183.04498	0.6
185.02330	0.3
187.07692	0.5
195.04489	0.8
196.05325	1.3
197.05984	0.8
198.03203	0.8
199.03955	0.6
200.04771	0.4
207.04471	0.8
209.06096	1.7
210.06844	0.5
211.03987	1.3
212.04713	0.6
215.07130	0.6
221.06235	0.5
222.06911	0.7
223.04001	0.7
224.04817	2.9
225.05580	6.0
226.05995	0.6
235.17053	0.8
237.05588	2.7
238.06366	0.5
239.03534	0.9
240.04332	6.4
241.04601	0.6
249.05692	0.5
250.06323	0.9
251.03467	0.4
252.04305	0.9
253.05096	11.2
254.05690	2.0
265.05106	1.0
265.12387	0.5
266.05920	1.8
267.03195	0.5
267.06000	0.4
267.10327	0.5
268.03818	14.3
269.04202	1.0
270.05392	0.3
280.03821	0.3
281.04639	6.4
281.11823	0.5
282.05206	1.3
293.04706	1.7
293.11917	5.7
294.05490	1.6
294.08359	0.4
294.12299	0.8
307.06223	0.4
309.11404	3.1
310.11786	0.4
337.10889	100.0
338.11227	9.9
341.34729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88775	0.6
59.01267	12.5
61.98712	1.0
68.08852	0.6
70.18398	1.7
70.18804	1.5
71.01260	1.3
89.02352	0.7
89.70638	0.6
95.88957	0.6
96.95942	1.2
104.17484	0.6
107.04954	0.8
109.06492	1.6
121.02902	1.0
123.36891	0.5
171.04495	0.6
180.05637	0.9
195.04544	1.0
196.05229	2.7
197.06039	1.9
198.03278	0.8
200.04727	0.9
209.06047	0.8
210.06926	1.8
215.06966	0.6
222.06885	1.2
223.04025	2.3
224.04794	8.9
225.05531	3.0
226.06398	2.2
227.03522	2.0
238.06367	0.7
240.04291	8.5
241.05045	6.6
251.03575	3.0
252.04236	2.9
253.05099	23.2
254.05867	22.9
255.02985	0.9
255.06229	2.1
255.23367	0.7
265.05115	7.9
265.12488	2.9
266.05829	4.9
277.09351	1.1
279.03168	0.7
280.03833	96.7
281.04172	8.8
293.11798	2.2
307.06461	0.8
309.11392	35.7
310.11926	2.9
337.10880	100.0
338.11194	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	337.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.8
60.29477	0.4
71.10569	0.5
71.10886	0.7
73.81261	0.4
79.05431	0.4
80.02568	2.2
80.82877	0.4
81.54951	0.4
93.03357	100.0
94.03706	2.9
95.04925	11.5
96.05261	0.4
97.06499	0.5
106.79149	0.4
108.02077	1.9
109.02885	0.7
121.02904	0.6
123.04440	0.9
133.02869	0.8
135.04443	1.5
141.05505	0.6
145.02892	1.9
156.05774	0.5
159.04453	0.4
161.06047	0.5
164.38155	0.4
167.05005	0.7
169.06520	6.6
171.08076	1.7
173.02386	0.9
173.09691	1.9
181.06598	0.4
185.06067	0.5
187.36272	0.4
189.09216	1.0
193.06375	0.4
195.08128	0.7
199.07774	0.6
209.06035	0.4
209.09703	0.7
211.07625	1.0
213.05563	3.6
213.09210	0.5
214.06068	0.4
221.05994	0.6
222.06790	1.0
223.07649	9.2
224.08110	0.5
233.09695	0.6
237.09192	0.8
238.06555	0.4
247.11397	2.0
249.08981	0.4
249.12920	5.4
250.06357	1.1
251.07237	1.1
263.07169	0.6
263.10858	1.0
265.09146	0.6
265.12366	9.4
266.05844	0.8
266.12799	0.8
267.06586	0.7
275.10852	1.6
278.09497	2.3
279.10236	0.9
281.08246	14.7
282.08521	1.3
293.11893	51.7
293.28726	0.5
294.12244	5.9
307.09821	7.3
307.13348	0.5
308.10172	0.6
321.11475	1.1
322.12201	6.6
323.12537	0.7
337.10965	4.5
337.14508	45.8
338.11237	0.8
338.14883	4.6
345.28052	0.4
351.77048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0932
Annotation	Isopsoralidin
Peak:m/z	Relative Intensity
50.59681	0.5
55.26738	0.6
59.01262	4.4
61.35879	0.6
61.98712	1.3
71.01256	0.8
71.62421	1.1
73.72119	0.6
74.81435	0.6
102.48038	0.6
121.16348	0.6
126.86070	0.6
151.27779	0.6
170.97765	1.0
176.98184	0.7
177.12851	4.0
179.05005	1.2
192.95868	2.0
195.04451	2.6
203.10806	1.8
207.04494	1.9
221.11790	3.0
223.04008	1.9
235.04025	1.3
251.03514	7.5
253.14421	4.1
265.04852	0.7
266.02289	1.7
279.03040	68.1
280.03522	7.8
291.03058	8.1
292.03809	7.6
293.04480	1.1
303.03183	0.7
305.08038	0.8
335.09311	100.0
335.22412	1.9
336.09695	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	337.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03330	0.7
59.01263	6.3
65.45377	0.5
67.01778	0.6
68.99713	4.0
69.03341	0.7
69.91747	2.9
71.01271	4.1
72.99189	0.6
73.02843	1.4
75.00742	0.7
83.01270	2.2
85.02842	7.8
87.00771	2.1
89.02335	0.7
95.01302	1.8
96.99200	0.6
97.02850	1.2
99.00777	5.1
101.02341	2.1
111.00793	2.2
113.02350	5.9
113.99503	24.5
115.00296	7.9
127.00311	3.4
129.01859	2.8
137.54602	0.4
141.01921	0.6
157.01347	4.3
169.01326	1.6
174.01659	17.2
175.02420	1.6
277.05734	16.1
278.06052	0.6
296.78241	0.6
314.11823	0.5
337.07834	100.0
338.08188	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	337.0786
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
54.27997	0.7
57.03342	1.0
59.01264	13.1
63.96777	0.6
67.30519	0.6
68.99702	2.0
70.85038	0.6
71.01277	5.4
71.51819	0.8
72.99187	0.7
73.02827	2.2
75.00740	1.7
78.95821	0.7
83.01284	1.4
85.02861	7.0
87.00768	2.4
87.04420	2.9
89.02343	1.6
95.01311	1.4
99.00784	4.0
101.02352	5.2
111.00776	2.1
111.01928	1.3
113.02359	7.7
113.06007	1.2
113.99499	11.8
115.00292	6.1
120.28320	0.7
125.02394	0.9
127.00286	2.2
129.01857	2.3
129.21466	0.7
131.03430	0.8
137.02477	0.8
139.00351	1.0
141.01772	0.8
149.04430	1.3
157.01361	4.7
157.04956	0.8
169.01341	0.9
169.77333	0.7
174.01653	14.0
175.02299	1.5
193.07082	1.7
196.54247	0.7
277.05698	16.2
277.09033	0.8
337.07849	100.0
337.11057	4.1
338.08179	8.1
348.80560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88664	0.3
59.01292	1.1
64.01818	0.3
71.01301	0.4
71.60735	0.3
78.03432	1.0
80.04990	0.8
83.89216	0.2
92.04959	2.1
94.02879	0.3
94.06527	4.3
101.02404	0.7
103.04237	0.7
104.04966	3.2
105.03351	2.4
106.06528	12.7
107.03735	0.9
107.06909	0.3
108.04470	1.9
108.26293	0.3
114.48297	0.2
120.04471	6.0
121.05295	1.7
122.02456	0.8
122.06035	13.8
123.03165	2.2
123.06403	0.3
124.07621	0.6
131.03720	1.0
132.04475	8.8
132.05414	0.5
135.03244	0.5
136.03978	0.6
138.05534	23.0
139.05948	0.5
140.07167	0.7
148.04030	1.0
150.05545	3.2
151.05949	0.3
152.07237	0.3
158.09671	0.3
159.06873	0.3
161.04573	0.4
164.03558	0.3
166.05052	0.9
172.68382	0.3
173.08488	0.6
174.12813	0.7
184.11301	0.4
189.07948	1.0
197.07207	0.4
198.07980	0.5
202.12466	0.4
203.09496	0.8
212.09583	0.3
213.06688	1.1
215.11942	1.6
217.07458	1.8
218.11703	0.2
228.08990	0.5
229.09822	0.7
231.09090	0.8
231.11409	1.4
241.09848	3.3
242.10225	0.3
243.11446	1.9
246.11409	0.3
253.09711	0.3
259.10968	0.7
271.10922	1.1
289.12000	100.0
290.12344	8.7
333.10950	10.2
334.11398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11906	0.2
59.01255	1.4
69.97612	0.2
71.01272	0.3
71.20245	0.4
74.99729	0.2
79.95628	17.9
80.96407	2.1
96.95924	0.4
122.62262	0.2
167.07848	0.2
172.05254	0.6
195.04372	1.0
196.05289	3.9
197.05717	0.2
198.03194	0.5
211.04071	1.0
212.04790	3.5
223.03976	0.3
239.03577	0.7
240.04305	100.0
241.04636	7.9
255.06662	26.7
256.07043	2.2
320.00012	0.3
335.02380	52.7
336.02643	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	333.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87358	1.4
59.01258	4.9
61.98704	2.2
65.03827	1.0
65.99729	3.7
69.55372	8.8
71.01293	1.0
74.67246	1.0
80.04967	1.8
90.03384	3.3
92.01306	1.0
94.02891	1.5
95.20689	1.3
96.95908	4.8
104.04951	1.9
106.02946	1.8
108.04435	5.3
109.02855	3.0
110.05986	1.3
112.08637	1.0
121.65730	1.2
122.06038	6.8
124.07582	2.2
129.73975	0.9
131.06073	2.2
132.04445	7.1
134.02380	4.7
136.03969	4.1
136.07640	2.8
137.07112	2.8
138.05548	5.3
148.07622	3.4
150.05554	3.9
158.09697	2.1
164.03470	4.2
166.05124	2.0
174.09212	2.1
176.07130	1.6
176.10744	5.2
186.09157	1.9
188.10818	9.2
189.07928	1.5
197.07185	2.6
199.05106	1.4
200.05872	1.6
201.10266	12.5
202.08731	1.4
204.10291	9.3
211.08722	1.5
212.06079	1.4
212.09380	1.6
213.06676	4.8
214.07344	1.4
215.11873	3.0
225.10367	1.7
226.07451	2.2
227.08138	1.6
228.09067	3.6
229.09831	11.0
231.08978	4.8
231.11493	3.0
232.09789	18.0
241.09854	11.2
243.07858	2.0
243.11372	4.5
257.09393	1.7
259.10925	6.9
271.10965	3.8
275.10352	1.5
287.10507	3.5
289.12015	100.0
290.12439	8.2
297.11362	2.5
303.09958	1.5
333.10983	70.1
333.20804	1.9
334.11331	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	333.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.7
59.22630	0.3
71.01268	1.3
71.61771	0.7
72.99200	0.4
74.02316	0.4
78.03381	0.4
78.95778	0.4
79.41561	0.4
80.04942	0.8
85.02840	0.5
89.02361	0.4
92.04962	1.8
92.53360	0.4
93.91792	0.4
94.06527	4.3
95.04918	0.4
101.02356	0.6
103.04148	0.7
104.04988	2.4
105.03363	2.5
106.06533	12.4
108.04463	1.3
113.02338	0.9
115.99216	0.4
118.11743	0.4
119.60146	0.4
120.04483	5.4
120.69519	0.5
121.05219	1.2
122.02377	1.2
122.06041	14.1
123.03178	2.0
123.56738	0.4
124.07587	1.0
124.75346	0.4
125.02354	0.7
131.03687	0.7
132.04468	7.6
138.05536	20.1
139.05873	0.6
140.07065	0.5
148.03954	0.9
150.05522	2.3
152.99538	0.4
166.05069	0.9
168.06664	0.5
173.08379	0.6
174.12766	0.9
174.47078	0.4
184.11261	0.6
185.11800	2.4
188.07066	0.6
189.07935	1.5
200.23055	0.4
202.12386	0.7
203.09465	0.4
212.09500	0.5
215.11890	1.7
216.16389	0.5
217.07483	1.4
227.08347	0.5
228.09074	0.8
229.09914	0.8
231.09032	0.6
231.11214	0.5
241.09872	2.4
243.11420	2.4
271.11041	1.2
289.12009	100.0
290.12329	9.7
333.06537	0.6
333.10910	9.8
333.15469	1.0
333.19174	0.8
334.11255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
50.17330	0.4
62.59398	0.4
70.49265	1.7
78.95796	67.5
96.95927	8.6
96.96860	13.8
150.97945	0.7
152.99532	73.2
153.99879	1.2
171.00604	9.3
171.02058	0.6
197.87724	0.5
226.19405	0.5
234.87102	0.6
241.01221	39.5
242.01579	1.3
246.92535	0.8
259.02179	2.7
264.93591	0.7
314.83350	0.6
332.83710	0.7
333.06000	100.0
334.06281	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	333.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17330	0.4
62.59398	0.4
70.49265	1.7
78.95796	67.5
96.95927	8.6
96.96860	13.8
150.97945	0.7
152.99532	73.2
153.99879	1.2
171.00604	9.3
171.02058	0.6
197.87724	0.5
226.19405	0.5
234.87102	0.6
241.01221	39.5
242.01579	1.3
246.92535	0.8
259.02179	2.7
264.93591	0.7
314.83350	0.6
332.83710	0.7
333.06000	100.0
334.06281	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	333.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48414	0.9
59.01254	5.1
60.62068	0.8
61.98731	2.0
65.90890	0.9
70.37234	2.6
71.01276	0.9
83.95853	0.9
147.04451	2.9
148.05208	1.2
149.06023	100.0
150.05263	0.8
150.06287	5.0
156.88716	0.8
206.20070	0.9
333.20837	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	333.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71897	1.7
52.44501	1.7
59.01268	18.2
67.25188	2.0
69.67578	1.6
69.67924	15.0
71.01274	13.2
72.99196	2.5
73.02873	2.1
78.95795	92.1
83.01266	2.8
85.02859	6.1
87.00801	3.3
89.02338	11.9
96.96861	21.6
96.97424	2.2
99.00789	2.4
101.02357	8.7
111.00842	2.8
112.03967	3.2
113.02352	5.4
119.03433	6.0
124.03930	2.1
125.02396	3.8
150.97939	2.5
152.98317	4.2
152.99535	76.5
153.00774	4.1
160.47362	1.9
161.04492	3.3
170.00948	3.0
171.00595	10.5
179.05641	2.7
184.06221	4.5
185.06506	2.4
194.34256	2.1
196.28543	1.9
233.38690	2.3
241.01225	37.6
259.02170	2.6
280.82132	1.9
285.93231	1.9
297.11981	53.1
298.12241	2.4
333.05997	100.0
333.09671	81.0
334.06366	5.9
334.09860	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	330.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	2.7
57.67910	2.4
58.09417	2.7
59.01261	16.4
61.98709	3.3
63.10366	2.6
71.01276	10.8
71.06014	7.2
85.02834	3.2
85.99973	3.1
87.00779	15.8
88.82080	2.7
89.02351	3.9
99.00778	2.7
99.80991	2.3
101.02337	6.2
111.20261	2.5
113.02367	6.8
117.33046	2.7
122.06033	35.2
134.06085	3.3
136.07620	21.0
138.05544	2.9
139.03923	2.9
150.05545	100.0
151.03954	3.5
151.05910	3.3
152.07098	7.0
160.57599	3.1
160.71094	2.5
162.05675	3.6
169.05042	4.0
175.06332	3.7
176.07132	9.3
192.06667	3.5
204.06680	4.2
222.07761	5.2
244.56073	3.2
312.10944	58.5
313.11533	3.4
330.04623	3.4
330.08585	4.8
330.12048	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.083
Annotation	Sulochrin
Peak:m/z	Relative Intensity
59.01257	1.2
65.03851	4.8
67.01777	2.4
69.50444	2.3
80.02575	0.5
85.32976	0.2
91.01794	1.2
93.03354	5.2
94.03632	0.2
96.95930	0.3
98.20596	0.2
107.01270	0.7
108.02089	2.9
109.02863	15.2
121.02889	1.3
122.00900	0.2
123.00785	0.8
123.04431	0.8
124.01580	0.4
133.02902	1.3
135.00821	2.2
136.01610	2.1
137.02376	100.0
138.02664	3.2
139.03790	0.3
149.02351	2.5
150.03160	1.1
151.00266	0.4
151.03949	7.9
153.01926	2.1
153.05522	0.8
163.00340	1.6
164.01103	1.0
165.01868	1.1
167.03479	0.4
177.01927	1.7
178.02657	1.2
179.03481	0.8
190.63029	0.3
193.05034	0.7
240.04347	0.3
241.05031	0.3
271.06546	0.3
283.02728	0.3
299.05627	0.4
301.03793	0.5
303.08667	0.5
313.07248	0.3
316.06134	1.3
331.08286	18.1
331.25052	0.5
332.08612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1765
Annotation	Carnosol
Peak:m/z	Relative Intensity
54.25538	0.5
59.01266	8.2
61.98705	0.7
68.76219	0.5
69.46442	2.7
69.46869	1.7
71.01301	1.0
71.98738	0.6
76.82955	0.6
91.05457	0.8
97.06497	1.9
98.19766	1.0
101.02366	0.9
105.03374	1.3
113.02345	0.6
119.04938	0.8
122.71611	0.5
123.04497	0.8
129.03368	0.6
130.06424	0.5
147.04462	27.0
148.05240	100.0
149.05583	3.7
150.03198	0.9
153.12788	19.2
154.13052	0.5
181.12308	59.3
182.12643	2.3
317.28284	0.6
329.14050	1.7
329.17648	28.1
330.17923	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	329.2343
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.47993	0.2
53.16868	0.3
54.29363	0.2
55.00828	0.2
57.03327	0.9
57.83731	0.2
58.21918	0.2
58.47623	0.2
59.01048	0.2
59.01269	2.6
69.03333	0.6
71.04907	0.4
83.04915	0.8
85.02826	0.5
96.95946	0.3
97.06493	0.6
99.07391	0.3
99.08060	5.6
113.09623	0.3
121.02856	0.3
125.09643	1.4
127.11214	3.3
137.09628	0.5
139.11229	5.0
149.05962	0.5
155.10730	0.5
155.14406	0.5
157.12242	0.6
165.12811	0.8
167.14359	1.3
171.10223	12.6
172.10519	0.4
183.13881	5.3
184.14249	0.3
193.12317	1.5
199.13393	0.7
201.11292	0.4
201.82559	0.2
209.11926	1.1
211.13387	27.3
212.13705	1.2
229.14462	15.0
230.14822	0.7
256.03931	0.3
259.15408	0.3
270.11407	0.4
293.21335	0.9
311.22302	1.0
329.23398	100.0
330.23752	8.6
330.27750	0.5
342.13281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80170	0.7
59.01264	100.0
60.01600	0.8
70.54588	0.8
70.99545	0.9
70.99889	1.5
71.01268	5.1
73.02832	1.7
75.00710	0.8
83.01279	1.0
85.02866	1.7
89.02374	1.2
99.00765	0.7
100.04237	0.7
101.02374	2.7
108.02087	1.9
113.02370	2.1
123.04430	1.2
125.02446	0.9
138.09166	1.0
161.04544	2.8
167.03435	5.6
182.08270	0.7
197.50089	0.8
269.10468	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1038
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
51.13432	0.6
52.61396	0.6
52.94924	0.6
59.01270	6.1
64.89179	0.6
69.92478	3.8
72.34541	0.8
74.74512	0.7
95.01318	0.8
121.02835	0.7
123.00814	2.6
124.01572	0.7
139.03554	0.7
147.04472	0.9
159.04549	0.8
160.01595	4.7
161.02419	3.6
171.04530	1.2
172.05273	1.0
181.03285	1.5
183.04518	1.2
183.13892	1.8
186.03134	0.9
187.03981	2.4
199.04013	3.0
200.04756	8.7
201.05246	0.8
203.03436	1.2
210.03342	1.1
211.03957	4.4
212.04758	1.9
213.02023	0.7
215.03442	0.8
227.03452	8.4
228.04292	25.6
229.04761	1.6
239.03519	2.4
240.04143	1.2
247.89244	0.7
255.03030	12.7
255.06657	2.2
256.03775	13.5
257.04214	1.7
266.02209	1.6
267.03024	2.9
268.03802	2.4
270.05396	6.5
271.06122	2.3
281.04593	1.0
283.02444	1.5
283.06110	2.2
284.03323	100.0
285.03656	6.8
285.07672	2.2
286.08353	1.3
297.07736	1.2
298.08456	2.2
299.05670	93.0
300.06027	7.9
314.08026	67.5
315.08304	6.1
329.07034	2.4
329.10364	69.7
329.23010	1.6
330.10730	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	329.086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18793	0.4
56.12941	0.3
56.97938	0.4
59.01268	3.2
66.27401	0.3
69.30867	4.0
91.05409	1.9
96.95915	0.4
103.05408	0.3
105.03360	0.7
117.03374	0.9
119.04945	3.6
121.02881	0.5
123.02669	1.0
123.99814	2.1
125.00568	0.7
137.00594	0.9
138.98515	2.0
139.99312	18.0
140.26929	0.4
145.02858	1.8
146.03670	0.4
147.04456	11.7
148.05194	0.7
149.06018	20.0
150.06367	0.8
150.98563	1.2
151.02177	21.7
151.99353	0.8
152.02576	0.7
153.00127	0.5
163.99353	0.7
164.98711	0.8
165.00107	14.5
166.00685	0.5
168.18004	0.4
179.01682	32.3
180.02466	70.2
181.03244	100.0
181.49043	0.3
182.03587	4.6
195.01224	2.4
229.14432	0.5
312.73917	0.4
329.08572	17.2
330.08817	1.8
350.51849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.3
61.98721	0.5
71.54239	1.0
83.94753	0.4
86.20174	0.5
91.05434	1.6
101.58830	0.4
105.03380	1.2
110.98956	0.8
117.03374	1.3
119.04969	3.5
121.02855	0.6
121.96047	0.5
123.02654	1.2
123.99795	2.7
125.00599	0.9
137.00587	1.0
138.98558	2.9
139.99315	10.9
145.02895	2.9
147.04453	9.9
148.04881	0.7
149.06026	9.9
150.06369	0.6
150.98531	1.6
151.02177	22.3
151.99304	1.0
152.02515	0.7
153.00038	0.6
165.00110	10.0
179.01685	34.6
180.02467	100.0
181.03244	56.2
182.03539	2.8
187.24663	0.5
195.01199	2.8
199.13332	1.3
219.96179	0.5
314.04239	0.5
329.08603	1.6
329.23447	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0888
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01264	4.8
62.26535	0.9
69.48548	0.9
71.01288	1.3
71.48218	1.4
96.24773	0.8
96.62239	0.8
101.02332	1.3
102.46011	0.9
108.02082	46.4
123.00766	1.3
123.04442	26.2
147.97168	1.0
152.01105	35.0
153.01480	1.0
167.03456	100.0
168.03816	3.8
171.19601	0.9
188.05280	1.1
210.47238	0.9
329.14063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49358	0.5
59.01272	3.3
71.02013	0.7
71.02353	1.2
72.32224	0.5
79.95615	0.7
93.81116	0.5
109.02850	1.0
111.75430	0.6
117.47845	0.5
123.00737	0.7
124.01579	3.1
136.01555	0.7
137.02385	5.7
143.04924	2.1
145.02840	0.5
147.04474	0.7
148.01648	0.9
149.02373	1.2
150.03160	0.8
155.04999	0.7
161.02431	3.1
162.03107	1.0
164.01085	3.5
165.01822	0.6
171.04445	5.3
173.02396	1.1
175.04085	0.7
176.01115	1.5
177.01894	3.0
182.02097	1.6
182.03723	1.5
183.02878	1.0
183.04436	0.9
187.03941	1.3
188.04710	0.9
189.01920	0.6
190.02635	2.7
197.02460	0.7
198.03244	1.8
199.03979	9.7
200.04428	1.0
201.01939	1.8
211.03967	1.0
213.05573	1.0
214.02512	0.8
215.03519	7.0
227.03537	4.0
229.01480	0.5
229.05145	0.7
239.03423	0.7
240.04240	1.3
241.05090	1.5
242.02219	1.4
243.03038	27.9
244.03389	2.0
253.01472	13.3
254.01846	1.4
255.03050	1.9
256.03436	0.7
257.04526	0.8
263.08835	0.7
267.03070	1.2
268.03717	3.3
269.04630	1.6
270.01755	1.0
270.05167	0.8
271.02533	11.6
272.03043	1.5
281.00928	1.7
282.01602	0.8
283.02612	1.6
285.04123	4.9
286.04858	6.7
287.05472	0.6
295.02463	1.6
296.03217	3.8
297.03644	1.0
298.04858	1.1
299.02042	47.2
300.02316	3.1
313.03577	4.7
314.04385	58.7
315.04828	4.3
329.06729	100.0
330.07034	8.2
331.27252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	35.3
69.00175	1.9
71.01267	7.5
73.65401	1.9
89.02341	3.0
96.95893	5.3
109.02893	1.8
117.03371	3.5
118.57455	2.3
121.02888	4.0
123.02655	2.7
139.99310	7.2
145.02872	7.4
147.04486	4.1
149.06026	13.8
151.02168	9.0
163.99332	5.0
165.00104	100.0
166.00476	4.1
167.03435	3.0
170.97868	2.6
179.01674	45.0
180.02477	63.5
181.03250	64.4
182.03557	3.4
192.11531	3.8
192.91293	2.3
220.14685	20.3
221.15472	45.9
222.15891	2.0
236.10568	40.7
293.17627	33.7
322.00943	2.3
329.07019	2.0
329.13837	4.7
329.23709	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	327.2547
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.42386	1.0
55.95853	0.9
57.03336	0.8
59.01264	4.7
65.29256	0.8
71.01267	1.3
74.10194	0.8
89.02340	1.4
101.02330	1.2
119.03400	1.2
179.77019	0.9
183.01311	0.9
185.00757	2.9
258.75095	1.1
260.48764	0.9
265.25412	59.0
266.25711	5.4
267.10846	2.4
283.26587	1.9
309.24435	23.5
310.24841	1.7
327.18472	10.6
327.25446	100.0
328.25671	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	329.0674
Annotation	Laurentinol
Peak:m/z	Relative Intensity
54.24230	0.8
59.01267	5.5
70.90237	2.2
81.39343	0.8
81.49922	0.8
91.42968	0.9
99.78261	0.9
102.17384	0.8
103.08354	0.7
133.02809	0.9
135.00815	0.9
136.01596	1.4
145.02893	1.0
149.02357	1.0
149.06027	1.9
153.06990	1.3
157.72307	0.8
161.02365	1.7
169.06523	1.7
171.04471	2.6
171.10434	0.8
173.02362	1.1
175.03986	2.4
177.01900	1.4
181.06514	1.1
182.03732	1.8
183.04462	1.9
185.02415	1.8
185.06047	3.8
186.06837	0.9
187.03984	3.1
188.04883	1.0
189.05528	1.3
190.06320	15.9
191.03439	1.4
197.06078	9.2
198.06810	3.7
199.03961	4.6
201.05548	2.1
203.03461	8.3
204.04150	0.9
211.03938	3.4
213.01967	1.4
213.05576	9.2
214.06337	4.8
217.01573	1.1
217.05060	18.0
218.05734	0.9
225.05545	10.4
226.02696	2.4
226.06320	3.7
227.03503	3.4
229.05029	2.9
230.05807	2.2
231.02910	1.5
232.03648	3.8
238.02740	0.9
241.05112	3.1
242.05893	2.7
243.02980	3.3
245.08258	1.7
253.01407	0.9
253.05042	6.1
254.02292	1.3
254.05739	1.2
255.03008	5.2
258.05402	1.8
268.03818	1.0
270.05408	5.8
271.02509	3.4
273.07730	63.6
274.08145	5.8
282.01752	2.8
283.02542	4.5
285.07742	29.2
286.05237	0.9
286.08044	2.5
297.04095	14.5
298.04739	5.9
299.02017	6.4
299.05435	2.5
301.07224	49.4
302.07501	4.4
311.22089	1.0
314.04489	6.4
315.04391	0.9
329.06735	100.0
329.23505	3.8
330.07123	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.39386	0.6
58.00471	1.2
59.01258	5.9
61.98712	0.8
62.27029	0.6
71.01276	2.0
71.62270	1.0
85.02856	1.3
89.02335	1.3
97.06499	1.5
101.02354	1.8
113.02337	0.7
115.07568	0.8
120.29081	0.6
120.96603	0.8
149.02321	0.9
153.12762	1.5
155.14337	4.3
161.04575	1.2
164.04807	0.6
165.00087	1.1
165.07646	0.9
167.14349	0.7
168.91466	0.8
171.10165	1.0
178.92726	0.6
183.01132	0.8
183.13878	5.8
199.13438	5.4
211.13391	4.8
227.12936	3.3
229.14468	100.0
230.14859	6.7
245.11819	0.8
267.10892	2.0
277.62250	0.6
291.19629	1.5
297.00577	1.0
309.20767	8.5
327.05362	0.6
327.12592	1.4
327.16458	2.5
327.21796	9.3
327.25586	1.2
328.22122	1.3
343.32449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2183
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03325	1.5
59.01262	3.4
61.98703	0.6
69.03305	0.5
69.25701	0.4
71.01273	1.7
71.04886	0.4
71.55506	0.8
73.02806	0.8
80.02531	0.5
83.01282	0.5
83.04916	1.0
84.02044	0.7
85.02844	6.2
89.02373	0.4
91.45174	0.4
95.04907	0.8
96.95924	0.6
97.06487	5.8
101.02318	0.4
113.02374	0.4
121.02876	0.6
123.08058	0.4
123.58635	0.4
125.09643	1.3
127.11193	1.6
137.09590	0.6
155.10745	0.9
155.14340	0.6
161.02344	0.6
161.04526	0.4
163.11240	0.4
165.12825	1.6
167.14366	1.0
171.10236	7.5
172.10516	0.8
177.12790	1.7
181.12294	0.5
183.13885	7.1
183.16385	0.4
184.14236	0.5
185.11751	1.5
193.12303	1.8
195.13847	0.6
197.11818	1.0
209.11816	2.4
211.13377	22.9
212.13742	1.1
213.57339	0.4
221.11772	2.8
227.12813	0.5
229.14459	14.5
230.14807	0.9
239.12869	2.7
247.20654	0.5
265.18066	0.7
282.05289	0.5
283.06143	1.4
291.19775	4.1
294.05414	1.1
309.07657	0.8
309.20618	1.2
312.06546	1.0
327.01569	1.0
327.09073	3.5
327.21829	100.0
328.22156	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	327.2183
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.16808	0.3
57.03325	1.0
58.00477	1.6
59.01267	2.8
64.53667	0.3
69.03340	0.3
69.42724	2.8
71.01342	0.3
83.04910	0.5
87.04411	0.9
97.06491	1.2
99.08034	0.3
109.06490	0.5
111.08071	7.3
127.07562	1.1
151.11230	0.3
153.12756	0.8
167.14331	0.5
169.12309	4.8
179.10765	0.3
181.12315	2.0
182.12636	0.3
183.13864	0.5
193.12285	0.5
195.13974	0.4
197.11815	39.3
198.12120	2.1
199.13391	6.3
200.13687	0.5
204.56836	0.3
209.11635	0.3
211.13391	4.7
212.13646	0.3
221.11891	0.4
221.15465	0.5
227.12811	1.0
229.14470	0.8
239.13022	0.4
239.16542	4.9
240.17003	0.4
254.05841	0.4
265.17889	0.3
273.18692	0.4
291.19751	3.6
295.09958	0.5
309.20789	2.4
327.21829	100.0
328.22177	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00891	0.4
57.03328	0.8
57.99998	0.4
58.00479	0.9
59.01268	6.2
61.98711	0.5
65.81652	0.3
69.03339	0.6
71.01279	1.8
71.09087	0.8
71.09411	0.4
72.99199	0.4
77.73059	0.3
83.04896	0.4
85.02837	0.6
95.04910	0.3
97.06493	3.8
101.02373	0.7
109.06495	0.8
111.08070	11.3
119.03423	0.5
121.02842	0.5
125.09694	0.5
127.07518	0.7
129.09154	0.4
137.09702	0.6
141.09129	0.4
147.04413	0.6
148.05074	0.4
153.12770	1.2
161.04532	0.3
169.12270	4.7
170.12576	0.5
171.10181	1.2
173.05946	0.4
177.12717	0.7
179.10727	0.6
181.12263	1.0
183.13881	0.7
185.11783	2.3
193.12238	0.5
197.02756	0.9
197.11806	42.5
198.12143	2.2
199.13333	5.1
201.01770	0.4
201.11166	0.5
209.11847	1.1
209.15433	1.1
211.13403	3.1
221.11839	1.3
223.17014	0.6
225.15105	0.4
227.12909	0.9
229.14378	0.5
239.13014	0.9
245.11871	1.7
247.20638	0.4
251.16544	1.3
263.20242	1.6
267.10898	1.1
271.06134	0.4
273.18799	0.5
281.58548	0.4
291.19635	2.8
297.00482	0.6
297.03824	0.5
309.20752	4.2
310.21140	0.6
312.06485	0.4
312.10016	0.5
327.05133	0.9
327.21820	100.0
328.22177	10.3
328.26144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2183
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03327	2.7
59.01263	15.8
61.98740	3.0
71.01268	4.4
71.62273	1.7
78.43796	1.2
81.99805	1.3
83.04952	1.8
85.02864	3.2
85.06476	2.1
87.04408	9.7
89.02349	2.6
95.01254	1.3
101.02348	2.6
106.87092	1.2
113.02371	2.3
115.75514	1.2
121.02928	1.8
127.11231	1.3
147.04457	2.6
148.05247	1.4
149.02431	1.4
157.98129	1.3
171.10193	2.9
171.20032	1.3
183.13835	1.9
185.02396	2.3
185.11801	5.1
191.07120	3.5
191.13472	1.2
193.15977	2.0
197.11763	2.6
199.07657	1.5
203.10713	1.5
209.11858	1.7
209.15436	1.5
213.01877	2.0
219.17632	2.1
221.11853	3.0
226.02756	7.1
227.03482	2.5
233.15138	1.6
239.03653	1.5
239.12962	3.0
239.16560	2.7
240.04593	1.3
242.02237	2.6
245.11890	2.3
251.16547	4.4
254.02205	12.2
255.02954	2.9
256.03848	6.6
267.10989	4.7
269.04654	7.6
271.06262	8.5
282.01837	15.5
283.02139	1.5
284.06952	2.3
291.19550	1.6
297.04126	24.3
297.07330	2.7
298.04474	2.4
309.20767	2.8
311.05597	2.7
312.06451	16.9
312.10126	3.9
313.06927	3.7
327.08798	35.1
327.12561	18.7
327.18857	3.9
327.21851	100.0
328.09265	6.0
328.12848	2.0
328.22128	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	327.2184
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00479	1.9
59.01265	3.1
62.48448	0.4
69.03343	0.7
70.54567	1.7
71.01253	0.6
88.86783	0.4
90.98475	0.4
97.06489	2.2
109.06461	0.5
111.08070	9.4
112.15816	0.5
123.09609	0.4
127.07565	1.2
137.09644	1.5
153.12737	0.8
169.12305	6.6
171.10220	6.2
179.10724	0.5
181.12270	2.2
183.13959	0.5
193.12296	0.6
197.11812	43.2
198.12099	2.5
199.13368	8.1
201.11269	1.5
211.13472	4.0
227.12871	1.2
229.14407	1.1
263.20166	1.0
271.05191	0.5
273.18542	0.5
277.18307	0.6
291.19705	1.8
309.20773	3.5
327.21832	100.0
328.18494	0.6
328.22211	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1244
Annotation	Clausenidin
Peak:m/z	Relative Intensity
59.01257	1.2
63.07197	0.3
68.31975	0.3
71.01270	0.4
71.39606	0.7
87.04404	0.4
109.02933	0.4
111.00862	0.5
114.91133	0.3
135.04459	0.9
147.04434	0.5
151.91179	0.4
159.04466	1.5
161.02412	0.5
170.03679	2.6
171.04428	0.6
172.05363	0.4
172.91183	0.3
173.06018	1.4
174.03186	0.6
175.04018	0.8
175.07608	0.4
181.06580	0.6
183.04466	0.8
185.06100	0.8
187.03993	1.2
188.04692	0.9
189.05659	0.5
190.06244	0.4
196.05342	0.7
197.06084	2.0
197.11812	0.4
198.03130	0.5
198.06700	0.4
199.03915	0.4
199.07616	7.7
200.04709	1.3
200.08000	0.5
201.05600	1.8
202.32889	0.3
203.07082	0.6
207.17711	0.4
209.06070	1.4
210.03267	0.8
211.04005	1.3
211.07652	0.8
212.04750	1.1
213.05550	0.4
214.00833	0.3
214.02747	1.3
215.07101	1.2
223.07558	0.3
225.05620	5.8
226.02744	0.4
226.06250	0.5
227.03510	4.8
227.07074	2.9
228.04356	2.4
229.05038	1.3
237.05618	0.4
238.02614	0.6
239.03531	11.0
240.04198	1.1
241.05009	0.9
241.08739	1.3
242.02231	18.3
242.05894	0.8
243.02972	2.8
243.06644	5.6
245.04565	0.7
245.11754	0.6
249.09166	0.4
251.07118	1.1
253.05074	5.4
254.02243	0.4
254.05769	2.9
255.03029	10.5
255.06491	1.2
255.13690	0.3
256.03799	40.5
257.04453	4.7
264.04446	0.9
265.05066	0.9
267.10403	1.6
268.03751	0.7
269.05002	1.7
269.08017	1.7
270.05377	2.9
270.08423	0.6
271.06174	59.3
272.06470	4.0
277.08752	0.4
279.06781	1.8
282.05307	0.8
283.06256	5.5
283.09668	1.0
284.06564	0.7
285.07669	0.4
286.08514	6.9
287.09067	0.8
294.08981	1.3
295.09732	2.2
297.04480	0.4
297.07742	7.1
298.07928	0.5
311.09308	0.8
312.10104	22.3
313.10458	1.9
327.12439	100.0
327.21375	5.7
328.08990	0.5
328.12787	8.1
328.21979	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	327.2183
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03323	1.4
59.01249	1.3
69.03358	0.9
69.28095	4.6
71.01273	0.9
79.71421	0.4
81.03339	0.7
83.04897	1.3
85.02840	4.9
89.60491	0.4
95.04922	0.7
97.06484	4.6
97.82508	0.4
98.20598	0.9
125.09640	1.4
127.11208	1.6
128.73712	0.5
133.93523	0.5
137.09659	1.2
141.68358	0.5
155.10712	0.8
165.12747	1.1
167.14342	1.1
171.10208	9.4
177.12766	0.6
183.13885	4.1
185.11806	1.6
193.12273	1.7
197.11784	1.0
203.10924	0.6
209.11795	1.2
210.27022	0.5
211.13371	24.0
212.13751	1.5
221.11853	3.7
225.89798	0.4
227.12895	0.5
229.14470	12.1
230.14726	0.6
239.12926	2.1
291.19705	2.8
307.18741	0.5
309.20773	1.3
327.21820	100.0
328.22177	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99145	0.3
54.06075	0.3
57.03344	3.0
58.17719	0.3
59.01257	1.0
69.03346	2.3
70.76293	1.0
71.01269	0.8
72.75591	0.3
80.70057	0.3
83.04906	0.7
84.02041	0.5
85.02843	10.2
87.63357	0.3
95.04915	0.7
97.02852	1.0
97.06497	3.9
119.08565	0.6
125.09634	1.3
127.11246	1.8
137.09660	3.1
155.10709	0.6
155.14380	0.4
165.12766	0.8
167.14388	0.8
171.10237	23.5
172.10551	1.1
177.12802	0.8
183.13921	2.9
185.11804	1.6
193.12302	1.0
197.11897	0.7
201.11275	1.5
209.11882	1.8
211.13387	16.4
212.13707	1.0
221.11861	2.5
229.14488	9.2
230.14799	0.8
239.12868	1.6
247.20697	0.4
269.00955	4.8
276.06857	0.4
291.19720	3.1
297.00327	1.0
297.27304	0.4
309.20837	0.9
312.02863	4.5
313.03119	0.6
327.05167	3.5
327.21835	100.0
328.22137	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70151	1.1
56.08692	1.5
59.01265	10.0
71.01273	2.2
71.59866	1.1
83.04919	1.4
85.02843	1.8
101.02341	2.3
113.02328	2.5
119.03413	1.1
119.92558	1.1
121.02872	3.4
133.04878	1.1
135.04405	1.6
149.06047	1.5
161.04547	1.7
161.05971	2.5
162.06818	40.6
164.04683	2.0
165.05530	1.3
168.91441	1.6
171.10190	1.1
176.04692	4.1
178.00946	1.7
180.02435	2.9
181.03198	3.6
181.15895	1.7
186.95636	1.2
188.08389	6.8
199.00635	2.3
217.12340	89.3
218.12552	5.7
228.06383	1.2
239.07289	2.2
240.07898	1.2
241.07213	3.2
245.11861	100.0
246.12154	7.2
257.10339	6.5
267.10849	4.3
272.09073	3.1
283.08334	2.6
285.09766	5.8
299.09116	8.7
309.20779	1.6
326.89676	1.2
327.11282	12.9
327.16397	2.8
327.21820	14.1
328.11292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88371	0.5
52.57266	0.5
57.93376	0.5
59.01269	1.9
63.28755	0.5
67.37918	0.6
69.03340	0.6
71.20730	1.3
80.91568	0.7
101.02330	0.7
101.63010	0.6
106.28758	0.5
111.08058	1.7
118.24911	0.6
119.30455	0.5
145.06616	1.0
146.03644	1.0
147.04462	12.5
148.04883	0.5
159.03168	1.1
159.04466	16.6
160.04926	1.0
161.05984	1.2
172.05209	2.2
173.06035	29.5
174.03285	0.7
174.06398	1.6
175.03943	3.9
185.04527	0.6
187.02480	0.8
187.07622	6.9
188.08273	1.2
189.05559	1.0
189.09171	5.6
197.11812	9.6
199.02415	1.3
199.13367	1.8
201.05542	5.0
201.09337	0.8
203.07144	0.8
204.07878	2.2
211.13460	1.0
213.04060	2.1
215.07135	2.4
216.07913	48.7
217.08244	3.2
229.03644	2.7
241.03712	2.7
245.11861	100.0
246.12218	7.4
255.05200	2.3
269.06738	1.2
289.07587	0.6
298.07037	1.7
309.20511	1.1
327.11035	6.5
327.16196	1.0
327.21841	25.9
328.11295	1.3
328.22217	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0882
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01266	3.2
69.34081	3.6
71.01270	1.6
73.02831	0.9
76.43122	0.4
85.02872	0.5
87.00725	0.4
89.02322	0.4
91.34618	0.3
93.03362	28.7
94.03699	0.6
96.99224	5.8
98.20592	0.7
101.02339	1.2
101.16280	0.3
106.04155	0.5
108.02087	1.2
109.02914	0.6
113.02336	0.4
117.03376	1.9
119.04948	24.4
120.05306	0.6
121.02849	0.6
123.04451	4.6
130.04184	1.5
131.04965	6.6
133.02887	5.7
135.04465	0.4
137.02373	0.4
143.04971	21.8
144.05292	1.2
145.02892	3.8
145.06525	1.5
147.04430	1.1
149.58437	0.3
149.65710	0.4
159.04477	1.1
161.04675	0.4
163.03963	10.5
164.04347	0.5
171.04471	2.1
194.77075	0.4
195.04498	0.3
195.08047	0.4
203.03647	0.5
210.06757	0.7
211.07634	6.2
219.08121	0.9
221.09683	2.1
222.06915	0.8
223.07600	1.7
235.07654	4.3
236.08488	0.4
237.09239	8.3
239.10728	0.7
247.07744	0.8
251.07140	0.5
262.06454	0.4
263.07150	0.6
264.07767	0.5
265.08743	21.8
266.09024	1.9
267.08649	0.5
283.09729	2.5
299.05804	0.8
309.07813	5.7
310.08206	0.5
327.08807	100.0
328.05637	0.4
328.09137	9.7
328.13062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70153	1.3
57.55867	1.4
59.01272	10.5
71.01276	4.3
71.30938	2.3
71.31276	2.3
85.02863	1.8
87.00772	1.5
89.02347	3.2
101.02335	2.2
103.17288	1.4
109.01098	1.9
117.03360	2.8
121.01028	1.9
137.00572	3.0
139.99283	5.2
145.02866	6.1
147.04436	5.0
149.00655	2.9
149.02359	2.0
149.06009	11.8
151.02158	1.6
163.99289	1.9
165.00105	100.0
166.00415	2.7
168.91400	2.0
171.10188	2.1
177.00092	7.5
178.00887	3.2
179.01677	6.8
180.02437	6.4
181.03093	1.9
183.13876	1.6
192.99699	1.5
196.05386	1.9
202.38335	1.4
211.13396	2.4
213.03816	2.1
221.43271	1.4
224.04753	4.9
225.05498	2.1
236.08679	1.5
237.09177	2.6
241.03247	1.8
242.04019	2.6
243.01276	3.9
244.99385	2.2
247.07578	1.8
249.05627	1.6
251.07245	8.5
252.04245	2.4
253.05058	2.5
257.02805	2.3
265.08759	11.5
267.10739	4.1
278.05942	2.2
283.04361	1.7
285.02295	4.7
285.05359	1.6
286.03052	15.3
287.03455	2.2
293.08243	45.0
294.08862	8.3
312.04730	7.3
327.07001	30.6
327.12854	3.0
327.21860	11.7
327.25375	3.6
328.07336	4.1
328.11420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0883
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01259	4.6
60.98367	1.3
65.00182	0.9
65.03818	0.9
68.99756	1.1
71.01277	1.5
71.31865	1.0
71.37910	1.0
76.18965	1.0
89.02301	1.0
93.03386	1.3
96.95925	2.1
107.04957	1.6
108.02070	3.7
108.44816	0.9
109.02866	15.9
117.03380	2.5
119.04947	5.7
121.02878	6.1
122.03660	2.5
123.04461	1.8
129.03377	8.0
130.04126	1.5
133.02882	4.5
145.02890	24.5
146.03673	100.0
147.04462	99.1
147.05414	1.1
148.04814	3.7
149.02422	1.0
154.02551	1.2
158.03635	5.7
159.04477	11.8
161.02354	5.4
161.06017	9.6
165.01884	1.2
173.06046	1.1
175.03896	1.2
190.02591	1.2
191.07126	1.6
211.07570	2.4
218.38263	1.1
225.05786	1.1
235.07730	1.1
239.07123	2.3
250.06206	1.5
251.07178	2.3
253.05200	1.5
266.05847	1.3
267.06662	20.8
267.10843	1.6
268.07465	24.7
269.07861	2.6
271.09772	4.5
283.09821	96.7
284.10092	9.3
299.09213	2.3
327.05212	2.0
327.08868	8.1
327.12085	2.0
327.21814	1.6
328.09155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32056	0.4
59.01265	100.0
60.01604	0.8
67.43233	0.6
71.01274	3.5
73.02847	1.6
83.01307	0.8
85.02846	2.6
89.02324	0.8
95.01295	0.8
99.00821	0.6
101.02354	5.6
101.48569	0.5
102.83810	0.5
113.02368	1.7
117.27022	0.7
119.04942	4.1
134.39909	0.5
159.02962	0.5
161.04529	4.1
163.03984	3.5
164.76910	0.5
165.04491	0.5
193.07179	1.3
211.96375	0.5
265.12988	8.8
265.15674	0.7
325.20120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2027
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01755	1.2
57.03336	2.3
59.01262	23.5
71.01264	5.8
71.04908	2.0
71.55653	1.8
72.02038	1.6
73.02844	1.1
80.02567	1.6
81.03365	1.2
83.04914	5.5
84.02045	3.3
85.02831	2.6
87.98691	1.2
88.29691	1.0
93.03332	1.4
95.04956	2.1
96.95963	1.3
97.06491	3.9
99.08053	3.5
101.02338	1.4
109.02848	1.6
109.06534	2.1
111.08042	2.0
115.07578	2.0
117.62084	1.0
119.04933	1.2
121.06452	1.3
123.04449	1.5
123.08076	1.6
125.09649	6.0
127.07571	13.8
128.07834	1.1
133.06514	2.0
135.08073	3.1
137.09578	1.2
139.07532	3.7
153.09145	15.5
155.10759	2.1
161.04547	1.4
163.11234	2.7
165.12791	2.7
171.10211	15.7
177.88370	1.2
178.09917	3.3
185.11797	15.8
191.10791	2.1
191.14333	2.2
193.07176	2.6
197.06081	1.4
197.11823	16.4
205.39296	1.1
209.11823	64.6
210.12135	2.1
234.73254	1.1
238.12129	7.2
245.19141	3.1
253.17999	1.8
256.13110	2.6
263.20105	1.5
265.13016	2.8
265.18301	1.7
269.04507	1.9
279.19717	1.7
283.13507	2.1
284.06900	2.5
289.18118	10.6
297.20517	1.5
307.19229	100.0
308.19574	8.3
325.20255	51.8
326.14160	4.3
326.20541	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	325.218
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.92470	0.5
58.09587	0.6
59.01267	8.4
69.73059	1.3
69.73462	3.0
71.01262	0.6
84.76374	0.6
98.05671	0.5
101.76020	0.6
108.98559	0.5
118.45255	0.5
125.93246	0.5
149.09656	93.5
150.09999	4.5
152.28012	0.5
163.11232	100.0
164.11540	5.9
170.34950	0.5
183.01166	11.2
184.01749	1.1
193.07179	0.8
197.02722	1.1
265.13031	0.8
265.25604	1.0
299.18320	0.5
325.18436	20.3
325.21872	93.0
326.18774	1.7
326.22122	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	323.2235
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.24043	0.7
57.03329	0.9
59.01265	67.4
61.98730	1.1
70.80075	1.2
70.80417	1.4
71.01266	4.8
80.24208	0.8
83.03729	0.7
85.02856	1.5
86.38911	0.8
89.02345	3.0
101.02333	2.2
102.69639	0.8
113.02359	2.6
118.21349	0.7
119.03415	1.4
123.04404	1.0
161.04449	2.7
165.01830	1.0
165.12766	1.2
179.05582	1.3
189.12804	1.2
199.83228	0.8
214.27179	0.9
235.13438	1.1
261.22308	5.3
263.11362	2.0
267.06641	2.0
279.23444	1.0
305.21283	100.0
306.21600	11.2
323.12991	4.6
323.16998	3.8
323.22314	23.2
324.13132	1.3
324.22610	1.6
349.82196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0935
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
53.37187	0.2
59.01257	1.1
61.26036	0.3
71.45427	0.4
93.03368	0.6
93.58926	0.2
117.03368	0.3
119.04940	100.0
120.05283	3.4
126.43352	0.3
145.02921	1.0
163.03951	83.8
163.20422	0.3
164.04288	3.9
199.39595	0.3
325.09296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1148
Annotation	H disaccharide
Peak:m/z	Relative Intensity
51.19753	0.3
51.93866	0.4
55.01780	2.5
55.09003	0.4
56.24355	0.4
57.03348	2.0
57.71413	0.4
58.00477	1.3
59.01265	24.9
69.03340	0.6
69.63342	0.3
70.26482	1.5
71.01272	18.8
71.51903	0.3
72.01623	0.6
72.99195	1.7
73.02837	10.3
75.00764	0.5
83.01284	5.7
85.02845	12.3
86.00005	0.4
87.00768	1.4
89.02335	4.9
89.54785	0.3
89.96490	0.3
95.01261	1.1
97.02833	0.7
99.00772	4.1
101.02348	30.0
102.02660	0.7
103.03910	1.0
111.00769	0.6
111.72384	0.4
113.02356	9.2
114.82385	0.4
119.03417	0.8
119.04933	0.6
125.02343	0.9
129.01868	1.0
131.03410	1.4
136.54333	0.4
143.03413	1.1
159.02899	1.4
161.04515	9.2
163.06068	1.1
179.05600	0.7
181.07158	0.6
193.07158	100.0
194.07524	3.5
205.03557	0.5
237.06197	0.8
266.62650	0.4
295.62378	0.5
325.11478	15.5
326.11914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01596	1.1
66.83974	0.6
69.09977	0.6
70.54592	1.9
71.01260	4.6
73.02843	0.8
85.02850	1.5
89.02357	3.5
90.93539	0.6
101.02380	2.6
111.19707	0.7
113.02353	1.7
119.03398	1.3
222.58382	0.6
263.11368	0.7
297.16647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78514	0.6
57.03326	1.2
58.00475	1.5
59.01263	100.0
60.01597	1.2
61.00887	0.8
69.63673	4.7
71.01273	19.3
72.99212	1.9
73.02850	3.9
76.62675	0.7
83.01269	0.9
85.02840	6.7
86.83859	0.7
87.00783	2.7
89.02336	20.1
95.01304	1.3
99.00768	1.3
99.04419	1.4
101.02351	11.2
108.36669	0.6
113.02369	6.9
117.01862	1.6
119.03410	5.4
129.01878	0.7
131.03410	3.0
143.03429	1.6
143.07108	0.7
147.02994	0.7
149.04494	15.5
149.05661	1.1
161.04480	1.5
161.08157	1.3
175.04121	1.9
179.05565	1.7
211.37917	0.7
220.72488	0.6
261.56323	0.7
263.11407	1.3
323.07944	4.7
323.13507	27.8
324.13867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
59.01265	76.1
63.68776	0.8
71.01283	5.2
71.04911	1.2
71.54262	1.6
73.02837	1.0
81.03377	0.9
83.04907	4.1
85.02896	1.0
88.97426	0.8
89.02351	2.6
95.04964	1.2
97.06491	10.8
99.00526	10.8
99.43189	0.7
101.02359	2.1
103.59809	0.9
109.06519	1.3
111.08080	11.2
113.02133	8.7
134.74281	0.8
142.99539	1.4
147.11816	0.8
157.01074	1.5
161.04544	1.7
163.11279	3.8
165.12801	100.0
166.13124	6.6
197.15453	56.0
198.15816	2.4
198.98399	1.1
207.44164	0.9
209.11868	4.9
213.18990	0.8
217.08687	1.0
227.12837	1.4
239.96925	0.8
241.14465	30.5
241.87555	0.8
242.14807	1.9
247.13239	5.9
248.34708	0.8
249.11246	1.6
263.11432	2.9
267.06561	1.0
323.09299	1.0
323.15289	14.1
323.18683	1.9
323.22403	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	323.1294
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
50.09586	0.2
59.01267	5.1
61.61187	0.2
63.32786	0.3
66.40317	0.2
77.42667	0.2
83.01254	0.4
89.02329	0.4
93.03346	0.8
107.04945	0.4
113.02390	0.3
119.04945	100.0
120.05283	4.1
125.09633	0.3
134.17389	0.3
136.01584	0.4
143.04922	0.7
144.05742	0.7
145.02914	0.4
157.06535	3.0
159.08101	7.0
160.08478	0.3
161.04419	0.3
175.07617	0.3
187.03975	0.3
201.05554	0.5
203.07126	16.6
204.07484	0.9
209.11813	1.1
221.08192	21.8
222.08537	1.5
263.11490	0.5
280.84677	0.3
280.87646	0.3
281.11902	0.4
305.17502	0.3
323.12955	51.5
324.13272	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	323.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.3
71.33114	0.7
81.83015	0.4
106.41344	0.5
109.02901	0.6
116.92545	0.6
124.12952	0.4
223.07689	2.3
225.09169	2.0
234.07045	0.8
239.06932	0.7
241.67648	0.5
248.08411	0.5
249.09146	1.4
253.05032	1.0
265.08594	2.3
267.06677	44.0
268.07043	2.6
278.05847	1.4
279.06680	4.2
279.09930	1.0
288.43268	0.6
293.08267	14.6
294.08472	1.2
307.09872	1.6
308.10583	10.2
309.10971	1.0
323.12946	100.0
324.13284	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	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42430	0.9
55.01783	1.0
57.03325	0.9
57.13960	0.8
58.00480	2.0
59.01265	100.0
62.28888	0.9
69.45586	8.0
71.01272	36.1
72.99198	2.8
73.02854	2.2
79.39930	0.9
83.01264	1.5
85.02843	11.0
87.00778	3.1
87.04404	3.9
89.02338	42.0
95.01288	2.2
98.19772	1.1
99.00793	1.7
99.08028	0.9
101.02348	23.8
113.02365	15.0
119.03413	17.9
131.03418	7.0
143.03441	2.2
147.02921	3.0
148.21513	0.9
149.04474	11.5
160.61790	0.9
161.04482	2.9
172.53751	0.8
175.03984	1.0
179.05539	3.0
180.91516	1.1
202.99156	1.1
228.40144	1.3
323.07596	2.5
323.13531	76.7
324.13852	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	323.1284
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
55.33413	0.4
59.01264	25.3
61.98687	0.5
69.37495	4.3
70.36093	0.4
70.57068	0.4
71.01251	1.6
73.02812	0.4
85.89826	0.4
88.34495	0.4
89.02304	0.8
98.19831	0.7
101.02325	0.8
113.02322	0.7
113.63380	0.4
115.86353	0.4
119.03371	0.5
121.02876	0.7
133.51671	0.4
151.48351	0.5
161.04536	0.9
193.06587	0.4
197.06021	0.5
208.57834	0.4
209.05984	0.9
220.05362	0.5
221.06091	2.3
223.04034	1.1
225.05595	2.0
237.05571	2.2
240.04233	1.8
252.04262	0.8
253.05084	69.8
254.05412	5.3
263.11362	0.5
265.05106	59.0
266.05450	4.6
267.06598	1.1
268.07410	0.5
293.08224	1.8
307.09885	1.4
308.10580	4.9
309.10834	0.6
323.12946	100.0
324.13281	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	323.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	3.5
57.03341	5.0
58.00465	2.1
59.01263	100.0
60.01622	1.3
60.28601	1.1
61.59042	1.2
68.03205	1.1
69.03335	4.7
70.12396	5.7
71.01268	79.9
72.99197	5.5
73.02844	7.7
75.00767	3.5
81.03354	3.1
83.01285	5.3
85.02844	23.8
87.00771	7.0
89.02332	60.1
90.02674	1.4
95.01260	6.2
97.02859	7.1
98.19889	2.1
99.00776	3.5
99.16933	1.2
101.02344	48.2
102.02714	1.3
103.03925	3.8
111.00787	2.3
113.02353	25.6
119.03423	25.6
125.02367	24.3
129.01857	28.9
131.03409	6.1
134.03674	6.2
135.02922	5.5
139.03899	1.2
143.03453	5.8
147.02922	42.7
148.03282	1.5
149.04536	2.8
149.05986	1.7
151.86600	1.1
154.16858	1.5
161.04520	8.1
161.05952	2.3
177.05554	1.6
179.05586	4.4
186.79463	1.2
193.05017	4.7
199.72540	1.1
221.06622	8.5
245.06786	2.0
258.09174	3.1
263.07697	3.7
279.11896	1.5
323.10056	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	322.2031
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02861	1.7
59.01263	6.6
64.01578	0.2
71.01257	0.4
71.59653	0.2
80.04929	0.2
81.03343	0.5
85.02845	0.3
87.00690	0.2
91.87395	0.2
95.04931	0.7
96.95930	0.3
97.06505	0.4
101.02356	0.2
109.06522	0.6
113.02372	0.3
117.03359	0.2
117.86199	0.2
128.10735	7.5
130.08662	100.0
131.09018	2.9
136.64320	0.2
149.09711	0.2
165.12772	0.9
172.09674	0.3
181.49950	0.2
198.98041	0.2
199.63196	0.2
263.11197	0.2
278.21307	0.2
322.20294	36.3
323.20688	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	323.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01265	11.0
71.01276	1.3
71.61851	0.8
77.26910	0.4
82.00497	0.4
83.01279	0.6
85.02843	34.9
86.03171	0.7
88.70838	0.4
89.02322	1.0
89.03852	1.4
97.22450	0.4
101.02346	24.8
102.02673	0.4
111.00830	0.4
113.02276	0.4
117.03374	6.1
129.01863	100.0
130.02200	2.5
134.03665	58.6
135.03036	0.8
135.04022	2.4
137.02330	0.8
147.02934	7.9
149.06036	4.9
160.06425	0.8
161.04475	0.4
161.05997	0.8
161.07164	3.3
175.08704	2.1
177.05525	0.6
178.02661	3.9
189.06645	6.3
193.05040	64.6
194.05368	2.9
203.08221	1.7
205.05048	0.5
208.04112	0.5
227.03528	0.7
255.03036	0.9
263.11563	0.8
269.04523	1.5
284.03296	1.0
323.12497	2.3
324.05246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01267	28.9
69.41550	11.6
71.01266	3.8
72.99203	4.9
75.00765	31.4
76.63151	1.3
85.02842	3.1
86.69392	1.6
89.02355	6.0
99.00790	5.1
101.02337	3.4
103.03915	1.5
105.07018	13.1
117.01853	5.4
118.61869	1.4
129.01851	11.0
131.04971	5.9
133.06532	21.9
134.03694	2.3
135.02925	76.1
136.01581	3.9
137.02399	3.0
142.26021	1.7
143.89218	1.5
146.03642	2.3
147.02940	10.0
147.04439	2.2
148.05272	2.8
149.06026	44.5
161.04779	2.1
161.06032	65.3
163.07602	8.6
175.03975	4.7
177.05537	80.0
178.05849	3.9
179.07118	17.1
189.05576	15.4
191.07124	3.7
193.05042	5.3
203.03479	5.5
203.07100	1.5
205.05058	100.0
206.05486	6.9
207.06705	2.6
217.08844	1.6
219.06676	9.7
233.04643	11.3
263.11493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76445	0.4
57.03340	4.9
59.01267	16.1
62.61949	0.4
71.01273	1.4
71.61134	0.3
71.63036	0.7
72.99200	0.5
73.02825	0.8
75.00771	1.0
76.71349	0.5
78.09592	0.4
78.10243	0.4
85.02843	16.4
89.02351	0.6
101.02349	12.7
103.03917	7.5
106.44131	0.4
113.02367	0.9
117.03412	0.9
119.03383	0.7
129.01863	77.4
130.02220	2.2
134.03665	14.9
135.02907	0.8
135.03983	0.8
139.57718	0.4
147.02931	100.0
148.03206	2.2
149.06027	1.3
160.01736	0.7
161.04565	0.8
161.05995	0.7
175.03911	0.7
177.05426	0.9
193.05043	10.3
194.05453	0.6
205.05115	1.2
249.06172	0.9
258.09387	2.1
303.99503	0.4
323.11490	0.7
333.22354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57593	0.8
59.01266	33.3
60.03037	1.0
69.03344	5.3
70.96375	2.9
71.01270	14.5
72.01628	1.0
72.99201	1.1
73.02847	1.1
81.03313	1.0
81.51849	0.9
83.01283	3.6
85.02868	2.5
87.00775	0.9
87.68660	0.9
89.02325	3.5
93.02771	1.4
93.03360	25.8
96.95898	1.2
99.00780	34.3
101.02354	2.6
101.06017	2.3
107.04957	1.0
108.02061	4.1
109.26203	1.0
111.00827	2.3
111.88199	0.9
113.02412	1.2
117.03375	16.0
119.04948	22.6
123.04414	1.8
125.02345	2.6
130.04178	5.8
131.04964	12.6
132.05768	9.0
133.02888	13.4
133.06531	12.5
134.03644	2.1
135.04463	3.7
137.02376	2.1
137.55872	1.0
143.04970	10.6
145.02893	9.9
145.05458	1.8
145.06535	23.1
145.83769	0.9
146.03705	1.1
147.04465	100.0
148.04749	4.5
149.06021	10.2
152.77852	0.9
156.05748	3.3
157.06564	9.1
158.03697	3.9
159.03050	1.7
159.04459	7.5
159.08076	1.0
160.05241	12.8
161.02425	1.3
161.04735	2.1
161.06032	13.9
162.06322	0.9
163.04022	2.0
163.07597	6.9
165.05518	2.8
169.06566	18.9
170.07147	1.1
171.04494	5.5
172.05247	1.8
173.06053	24.6
174.06400	1.6
175.03986	23.7
175.07596	11.2
177.05516	17.5
185.04527	1.4
187.03983	3.6
187.07631	61.8
188.07986	3.0
189.05551	48.7
190.05858	1.6
191.07111	19.2
193.05019	4.1
199.07657	2.7
201.05565	33.3
202.05852	1.1
203.03496	11.8
204.03795	1.3
205.05061	31.1
206.05469	1.7
217.05038	3.0
219.06630	42.1
220.07040	3.2
221.04562	36.8
222.04842	1.3
223.06177	1.4
231.06654	6.4
235.06039	4.6
235.09785	1.5
243.06602	2.8
245.04712	1.1
261.07718	6.5
263.05655	57.2
264.06079	2.7
279.08826	7.0
305.06729	1.5
323.04172	1.6
323.07800	27.5
324.08243	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	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01605	1.1
65.96734	0.6
69.50004	4.6
69.96918	0.6
71.01265	3.4
79.63470	0.5
81.17155	0.5
81.47742	0.6
89.02329	4.3
94.09081	0.7
101.02386	1.4
113.02355	1.4
113.98272	0.6
119.03413	1.2
179.05644	0.9
186.20093	0.6
321.15744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.4
59.01263	100.0
60.01613	1.1
66.68635	0.3
71.01266	2.9
85.02839	0.4
85.35088	0.3
87.00811	0.4
89.02338	4.6
96.41425	0.3
96.95905	0.6
98.19756	0.5
101.02361	1.5
109.13123	0.3
113.02357	1.6
119.03432	1.8
148.87814	0.3
161.04518	0.6
179.05605	0.9
260.15701	0.3
274.78143	0.3
277.11963	0.5
321.11005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2079
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01266	100.0
60.01608	0.9
61.98727	1.0
70.82745	1.2
70.83076	1.2
71.01279	0.8
73.02827	0.6
93.11698	0.5
103.03925	0.6
135.62556	0.5
141.01688	1.2
176.31612	0.5
215.62126	0.5
277.21719	1.0
321.20779	58.2
322.21085	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	322.0939
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01745	1.1
57.03361	1.1
58.00470	4.6
59.01266	100.0
60.01600	1.1
69.82092	4.7
69.82504	1.7
71.01273	55.7
72.99185	5.3
73.02816	1.7
83.01284	3.8
85.02840	13.2
87.00774	2.7
89.02341	49.0
95.01264	3.5
96.95913	1.3
99.00800	1.5
101.02345	29.0
113.02348	18.3
116.04977	39.1
117.05347	1.6
119.03420	19.2
122.59278	1.0
129.01880	1.3
131.03389	1.8
143.03426	2.6
144.04489	2.8
146.06065	1.2
149.04466	1.1
158.05986	1.4
159.03065	2.2
160.03992	60.3
161.04376	4.4
177.01877	1.2
177.05481	1.4
179.05580	4.0
202.05084	27.4
203.05359	1.4
207.06625	1.3
232.06116	5.3
262.07251	38.1
263.07620	2.8
322.09366	66.4
323.05682	2.1
323.09662	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	321.1099
Annotation	Brachystemidine C
Peak:m/z	Relative Intensity
52.91339	1.3
54.15062	1.1
57.03322	1.5
59.01260	14.5
69.47334	8.4
71.01260	5.8
73.02823	1.7
76.81721	1.2
80.04942	4.6
81.03352	1.6
82.02862	5.0
82.06512	5.4
84.04431	13.9
85.02804	2.9
86.02380	4.3
86.80947	1.2
89.02337	2.6
92.04950	25.9
94.02866	3.1
95.03661	2.8
95.04916	3.5
96.00796	3.5
96.04466	7.4
97.01586	8.0
99.04395	2.3
101.02332	4.1
102.05505	4.1
102.26987	1.4
107.03690	2.0
108.04444	2.9
109.05286	1.2
110.06017	39.0
112.03954	5.0
113.02338	2.2
122.06034	57.5
123.03189	4.3
123.06361	1.9
124.03957	10.3
124.07619	2.5
128.03470	5.9
131.08972	1.5
132.02933	1.5
134.03647	4.4
136.03967	47.7
136.07613	5.1
141.65002	1.2
146.04530	10.8
149.06015	3.1
161.04460	2.6
168.03108	1.3
168.06596	3.5
173.09953	1.4
175.03903	1.9
181.03784	8.8
189.11224	2.2
193.05031	1.5
203.11882	24.3
204.12177	1.7
215.11995	7.2
229.06209	3.3
247.10902	37.9
248.11208	2.4
259.10941	48.8
260.11328	2.5
277.11951	4.0
303.10065	3.6
315.36960	1.3
321.10956	100.0
322.11154	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	321.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01601	0.9
62.74801	0.2
71.01270	2.9
71.35899	0.2
71.59383	0.4
72.99184	0.2
73.02858	0.2
77.22353	0.2
85.02836	0.4
87.00791	0.2
89.02332	3.4
92.90797	0.2
95.01311	0.3
100.62527	0.2
101.02331	1.4
108.76793	0.2
113.02350	1.2
119.03423	1.3
122.23164	0.2
136.07581	1.1
143.03529	0.5
161.04536	0.4
173.11829	0.5
179.05640	0.7
259.14813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19317	2.0
57.03326	2.0
59.01265	12.1
68.55877	2.1
69.03352	4.0
69.91803	1.9
71.01283	18.0
71.58681	4.6
73.02848	10.4
73.74029	2.0
83.01264	3.0
84.90774	1.9
85.02850	29.3
86.78614	2.1
87.00775	100.0
95.01292	3.7
97.02846	22.1
101.02345	2.7
103.03927	10.6
113.02328	7.3
115.00272	12.8
144.04477	2.7
156.61563	2.1
157.01378	9.3
175.02449	56.5
176.02824	2.3
217.03523	21.8
303.07175	6.1
321.07629	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	321.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02861	2.1
59.01266	10.5
71.00948	0.6
71.01274	3.8
71.62299	1.0
88.03936	66.3
89.04260	1.0
96.95912	1.0
113.02423	0.6
116.04933	0.8
130.06577	0.9
144.04488	2.1
151.02199	6.8
163.00925	1.5
164.02959	7.5
165.02472	0.9
165.03725	2.2
172.07629	4.7
177.02351	1.0
178.03287	93.2
179.03590	4.4
180.04980	1.5
190.03310	8.6
191.03545	0.7
203.08234	0.9
204.04874	24.5
205.05267	1.7
206.06441	48.6
207.06752	3.1
232.04398	76.1
233.04750	4.7
247.02615	0.6
249.07071	100.0
250.07358	6.1
321.09216	88.7
321.17056	1.2
322.09479	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	319.1404
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.35724	0.8
52.35974	0.7
55.01760	3.8
57.03328	3.9
58.00475	1.4
59.01266	36.2
60.70490	0.9
70.62781	1.3
70.63154	1.5
71.01272	58.2
72.99203	1.7
73.02841	15.9
75.00746	1.2
83.01268	7.8
84.02045	1.9
85.02843	22.2
86.03180	1.2
87.00759	2.3
89.02338	14.4
91.63798	0.9
95.01295	5.4
97.02881	0.8
99.00784	6.3
99.76548	0.8
101.02348	37.0
102.02673	0.9
111.08076	14.7
112.08363	1.1
113.02347	20.9
113.09643	7.3
119.03421	4.3
125.02353	1.6
128.03479	0.9
136.07658	1.5
138.05501	1.0
139.07581	3.9
143.03430	1.0
157.08649	61.4
157.33064	1.0
158.08978	2.9
159.02971	3.4
161.04529	8.3
199.09706	1.3
216.30800	0.8
222.08969	0.9
316.24585	0.8
319.14038	100.0
320.14438	8.3
334.25504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	7.9
58.65850	0.6
59.01270	3.5
59.87584	0.6
61.03093	0.6
67.01799	0.7
71.62161	0.9
72.00455	0.8
72.00786	4.8
82.06528	1.7
91.05423	6.4
98.02416	0.6
112.07572	3.4
118.06551	2.4
126.09161	1.5
129.10262	64.6
130.10576	1.8
138.11844	0.6
141.10332	0.7
147.03308	1.3
147.04456	21.7
148.04819	1.2
153.10289	3.2
154.08673	8.4
159.04482	2.4
164.07121	53.2
165.07486	1.9
171.11349	44.0
172.11629	1.6
187.03999	3.5
187.42119	0.7
199.06071	0.7
213.21893	0.6
216.13948	0.9
233.14256	1.3
233.16615	32.2
234.16850	1.9
275.17743	5.1
277.15643	2.0
319.08887	3.8
319.16696	100.0
320.17065	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	321.0834
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
51.40220	3.2
53.19373	2.9
56.32460	3.3
59.01269	14.4
60.05131	2.6
60.99348	2.6
65.29068	2.7
69.03318	5.4
70.12177	12.9
71.01275	14.1
72.99211	3.5
73.02838	9.1
85.02847	23.8
87.00771	100.0
95.01286	4.1
96.95934	4.1
97.02838	20.1
98.19930	3.0
103.03896	15.2
113.02358	8.0
115.00308	13.9
131.11153	2.6
147.02901	5.1
157.01381	10.0
173.00797	3.6
175.02438	70.3
217.03511	28.2
259.07288	2.8
303.07156	8.9
321.07742	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	319.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29373	0.4
57.97446	0.4
63.60289	0.4
71.01240	1.0
71.53873	0.5
72.34170	0.4
77.66125	0.4
84.21891	0.4
91.80199	0.4
98.19872	1.1
114.01876	1.6
131.04939	1.7
138.01971	0.5
145.05231	0.5
146.06058	0.9
158.06041	1.0
163.00923	15.7
164.01173	0.7
164.02956	2.7
169.05247	0.5
170.06042	4.5
171.06857	7.5
172.07576	0.7
174.03816	2.9
177.03751	1.6
179.04079	2.7
180.04842	5.8
189.02560	0.5
190.03355	0.9
202.03302	9.9
203.04042	4.6
204.04866	100.0
205.05194	7.3
206.01462	0.6
206.06390	1.4
214.07558	1.0
229.04405	1.1
230.02838	6.4
231.03186	0.6
232.04424	1.0
247.05492	46.2
248.05815	3.9
262.02921	0.4
275.08606	4.0
319.07642	51.0
320.07874	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	319.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97443	0.7
59.01280	2.1
71.01270	2.0
71.18544	1.6
89.15850	0.7
90.89986	0.7
92.24468	0.9
101.19254	0.7
104.90292	0.7
114.01891	2.2
158.06113	1.0
162.00098	0.8
163.00937	31.4
164.01642	0.8
164.02979	2.3
168.04466	4.9
170.06076	12.2
171.06836	3.0
172.07663	0.8
176.01659	1.2
179.04045	1.8
180.04845	9.3
188.01721	1.6
188.03114	1.1
188.98854	5.6
189.02505	10.2
190.03246	1.6
197.04817	1.0
202.03320	9.3
203.04103	4.8
204.04880	100.0
205.05246	5.2
206.01549	50.2
206.03526	1.7
206.06409	1.2
207.01915	2.1
213.06659	3.4
214.07385	1.4
215.00545	1.0
230.02863	5.4
232.07957	1.1
242.10406	0.8
247.05504	66.3
248.05852	5.2
275.08627	3.9
278.03735	1.8
319.07642	76.9
319.22684	1.0
320.07968	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	317.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70071	0.6
59.01311	0.9
60.52935	0.5
66.75459	0.4
69.55344	3.7
76.72596	0.5
97.02912	1.6
98.19855	1.1
123.00818	1.0
125.02390	1.9
132.74553	0.5
133.02979	1.2
135.04433	0.5
136.05273	1.0
145.02890	0.6
146.11581	0.4
150.03180	2.5
157.06528	0.6
161.02475	0.7
163.04007	0.9
169.06583	2.2
173.06056	0.6
185.06056	5.7
189.01897	0.6
189.05571	0.6
195.04556	0.8
197.06111	1.8
198.03140	0.8
199.03911	0.9
199.13472	1.3
201.05609	1.8
211.04031	0.9
212.04778	0.7
213.05565	10.6
214.06078	1.1
215.03519	0.8
223.04138	0.8
224.04791	0.7
225.05563	3.4
227.03519	0.9
228.04111	0.5
240.07954	0.6
241.05092	15.0
242.05522	0.6
243.06712	1.9
259.06256	1.0
269.04614	100.0
270.04990	7.8
283.06351	0.9
284.06976	34.1
285.07254	2.4
287.05688	15.0
288.06015	0.7
289.10867	0.6
299.09317	63.6
300.09641	5.8
302.08029	5.1
303.08344	0.6
317.07040	0.7
317.10349	18.7
318.10638	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	317.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55055	0.3
59.01258	2.4
60.71307	0.3
61.98696	0.4
64.46664	0.3
65.56166	0.4
67.22683	0.3
69.03349	2.3
69.26079	3.9
71.01279	0.8
71.52706	0.4
83.01277	1.8
93.03368	0.5
93.13062	0.3
95.04926	0.3
96.95934	0.6
97.02853	6.2
107.01332	0.4
108.02078	1.3
109.02875	2.2
111.04427	1.2
111.35542	0.4
119.04977	0.5
121.02885	0.8
123.00822	1.6
123.04440	9.3
124.01655	0.5
125.02367	100.0
126.02718	2.6
133.02943	0.6
135.04468	0.5
137.02379	1.2
138.03165	0.6
139.03952	4.4
145.02858	0.6
147.00818	1.0
149.02426	1.1
151.04050	0.3
153.01884	0.4
153.05470	0.7
161.02361	0.8
162.03186	1.3
162.56372	0.3
163.00291	0.5
163.03944	1.9
163.11201	0.4
164.04776	1.0
165.01881	0.7
169.06609	0.7
177.01894	1.9
177.05536	0.9
179.07127	0.5
185.06055	1.3
187.03944	0.8
189.01953	1.3
192.04260	0.4
194.05878	0.4
197.06068	1.0
199.13383	1.6
201.05696	0.5
204.04352	0.7
207.06668	0.9
213.05536	3.7
215.07272	0.4
224.04797	0.5
225.05510	2.0
225.11397	1.0
226.06213	0.4
241.05042	2.1
243.06642	1.7
243.12457	0.9
253.05214	0.9
259.06174	1.2
268.07361	0.5
269.04633	12.8
270.05136	2.1
271.06216	1.2
284.06979	2.4
285.07739	1.1
287.05692	13.4
288.06131	0.8
299.09283	2.7
302.02921	0.4
302.08029	13.7
303.08279	1.1
317.10379	31.1
318.10779	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	317.0675
Annotation	F390C
Peak:m/z	Relative Intensity
52.00198	2.3
52.90154	2.4
59.01264	42.3
61.98719	3.8
64.82231	2.2
65.03831	3.6
67.01777	3.8
69.46301	22.9
80.63114	2.6
91.01795	8.9
93.03354	6.9
95.01274	4.9
98.68291	2.3
104.12551	2.3
108.02083	8.4
109.02866	29.1
113.31413	2.4
123.00823	26.3
124.01632	3.3
125.02353	5.0
135.00827	5.3
136.01601	8.1
137.02380	100.0
138.03192	18.1
139.00308	30.0
139.03909	4.4
143.04913	2.4
145.02805	3.1
148.01633	18.1
153.01877	5.5
153.05551	15.4
154.02678	41.7
157.02916	2.6
163.00287	26.4
164.01070	8.9
169.05028	32.4
170.25513	3.0
171.04457	4.0
175.03923	3.2
185.02344	2.9
187.04008	6.7
197.02486	5.3
198.03119	3.2
199.04024	5.3
203.03416	2.4
207.40044	2.2
213.01996	5.9
213.05522	2.7
214.02655	10.0
215.03421	10.5
221.31998	2.3
226.02765	4.5
227.03410	4.2
229.04955	3.3
231.03195	3.0
241.01453	2.7
242.02132	17.4
243.02991	17.2
254.02336	2.6
257.04544	9.3
258.05151	9.9
259.02545	3.1
269.00952	9.2
270.01733	12.1
271.02383	2.7
273.07715	4.2
284.06702	2.6
285.04065	15.0
286.04584	3.0
287.01959	17.2
287.10120	2.4
289.07217	4.2
299.05637	3.9
302.04306	9.8
317.06689	34.6
317.11191	13.6
317.17484	2.9
318.07019	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	317.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46592	1.7
57.00988	1.6
59.00994	2.4
59.01264	29.8
59.32533	1.5
61.98704	5.2
70.85530	1.6
71.62523	2.7
79.18652	2.2
90.83006	1.8
91.05430	2.3
100.33176	1.8
101.57646	1.6
103.05453	1.9
105.03374	2.8
119.04910	2.1
121.02838	2.3
125.02355	2.3
132.05693	2.0
133.06519	100.0
134.06844	5.9
147.04460	44.0
299.16879	2.3
317.21201	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1245
Annotation	Combretastatin A-4
Peak:m/z	Relative Intensity
52.68528	1.7
59.01264	19.0
60.22433	1.7
64.95663	1.7
66.21745	1.5
71.60857	2.6
75.00760	4.2
75.46468	1.7
81.03354	10.3
83.04923	31.8
117.03388	2.7
119.04942	2.3
121.02866	6.8
123.00748	2.9
123.04476	2.5
124.01593	8.0
125.02378	20.5
135.04449	11.8
136.05208	2.0
145.02875	8.2
145.05003	3.4
148.01607	4.2
149.02380	15.6
149.05966	4.4
153.05524	2.9
161.02367	3.2
163.03935	13.0
164.04755	12.3
174.99185	2.0
187.13365	15.9
197.05981	2.4
214.06261	3.6
217.00304	6.0
225.05550	4.7
232.97545	5.3
232.99805	3.2
241.05083	3.9
242.05925	4.5
252.04204	3.2
253.05052	9.8
254.05904	5.1
255.03012	7.6
255.06329	2.1
269.08258	63.8
270.01886	8.1
270.05374	33.4
270.08380	4.6
271.20816	2.2
285.04218	11.4
285.07709	76.2
286.04697	2.8
286.08127	7.1
300.06516	6.6
300.10052	59.4
301.10410	4.9
315.08817	16.9
315.12463	100.0
315.15771	7.8
315.18723	20.2
316.12863	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	315.1092
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01255	1.0
71.44231	0.6
71.44567	0.5
76.96322	0.4
84.20843	0.4
93.03333	0.4
95.04951	0.9
100.77956	0.4
106.28896	0.5
109.78094	0.4
117.86221	0.4
122.03629	0.7
123.04434	76.7
124.04769	2.5
133.02878	0.4
145.02907	0.6
153.05513	100.0
154.05852	3.7
164.20799	0.4
177.07141	0.4
315.10818	3.0
315.16028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1248
Annotation	Tupichinol B
Peak:m/z	Relative Intensity
59.01263	1.8
63.14979	0.5
69.67439	4.0
71.01251	1.0
73.02804	0.6
80.02554	1.0
80.09770	0.5
82.06988	0.5
85.02818	1.0
93.03371	2.2
95.04935	2.7
101.02319	1.0
106.04128	0.9
107.04948	0.9
108.02080	2.4
109.02868	9.7
119.04942	1.9
121.02866	13.0
121.06519	6.2
122.03668	12.0
123.04443	52.1
124.01585	2.5
124.04786	1.2
129.03442	0.9
131.04851	0.6
133.02892	1.1
134.03653	4.4
135.04446	21.9
135.08081	1.0
136.01601	0.6
136.05148	0.7
137.02377	11.5
137.06042	1.1
139.03929	0.6
145.02866	1.0
146.03679	1.2
147.04448	8.4
148.05229	8.6
149.06023	100.0
150.03177	2.4
150.06361	4.2
151.03946	15.0
154.02708	1.5
156.41895	0.6
157.06534	0.7
159.04457	5.1
160.05202	0.5
161.02405	0.7
161.06033	4.0
162.03114	0.7
162.06778	2.5
163.07599	29.2
164.04797	0.5
164.07883	1.2
165.01920	0.6
165.05528	19.7
166.05962	0.6
173.06032	1.6
174.06818	2.1
175.04057	1.2
175.07620	20.2
176.07991	0.6
177.05516	1.2
187.07668	0.5
191.07114	17.7
192.07545	0.9
193.08684	7.4
207.06584	0.8
225.05588	0.9
227.03592	0.8
242.05934	1.2
243.06589	2.1
256.07407	1.3
267.10172	2.9
274.08524	2.9
279.10425	1.0
282.09000	0.6
285.03644	0.9
285.11392	9.5
297.11401	9.8
298.11832	0.7
300.06210	0.8
315.12463	82.4
316.12799	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	315.0884
Annotation	Daldinal B
Peak:m/z	Relative Intensity
54.26900	0.3
55.41091	0.3
69.41330	2.8
69.41738	0.7
92.18862	0.4
93.03359	1.0
95.01299	0.8
98.20494	0.9
108.02077	0.9
109.02876	2.1
115.77032	0.5
119.01330	0.3
121.02873	20.6
123.00775	2.6
123.04446	0.6
124.01566	1.4
125.02375	0.4
129.07027	0.5
133.02913	1.9
135.00786	0.6
135.04420	1.7
136.01591	2.1
137.02386	1.1
138.03140	1.3
141.07004	1.3
143.04927	0.9
145.02904	1.0
145.06554	0.9
147.00757	0.4
148.01550	1.1
149.02380	1.5
150.03180	3.1
153.05511	0.4
157.06554	3.4
159.04474	1.1
161.02383	4.5
161.06024	0.5
163.00325	3.9
163.03978	1.0
167.05037	1.9
168.05754	0.8
169.06548	1.8
171.04417	0.7
173.06000	1.7
176.01241	0.4
177.01906	1.0
178.02699	3.2
183.04509	2.0
184.05093	0.4
185.06020	4.6
187.03958	1.5
189.05556	1.6
193.05005	1.4
195.04446	3.2
195.85403	0.5
196.05215	0.8
197.06021	2.1
198.03223	1.2
199.03885	0.8
201.05550	4.4
211.04015	5.2
212.04797	2.0
213.05559	11.0
214.02742	1.4
214.05817	0.9
215.03548	1.8
222.02867	0.4
225.05675	0.8
227.03462	0.6
228.07826	0.4
229.05127	6.5
230.05559	0.5
239.03537	5.3
240.04219	2.7
241.05095	8.3
242.02251	0.8
242.05536	1.1
253.05017	0.5
254.05905	0.7
255.06660	0.9
256.03778	2.7
257.04596	100.0
258.04922	6.8
267.03094	0.9
269.04581	1.4
271.06131	1.6
272.06964	54.4
273.07346	4.3
282.05447	1.4
283.06213	0.6
284.03275	0.7
285.04047	4.1
287.09329	30.7
288.09695	3.2
297.07852	0.5
299.05692	0.9
300.06442	9.1
301.06802	0.9
315.08813	87.4
316.09134	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46111	0.3
59.01241	1.1
70.13632	1.7
73.70192	0.3
86.26879	0.3
121.02892	0.5
130.04164	0.9
145.02863	0.9
153.05475	0.4
157.02980	0.5
158.03696	1.2
161.02315	0.6
180.34082	0.4
185.02382	0.4
186.03134	1.1
198.03136	0.5
213.01886	0.8
214.02686	3.9
239.03490	0.6
242.02235	20.1
243.02518	0.8
257.04608	4.2
270.01746	77.1
271.02078	4.8
271.04742	0.5
285.04105	100.0
286.04456	7.9
300.06458	44.5
301.06766	3.6
315.08813	50.3
316.09146	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0882
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
54.19738	0.6
55.58060	0.5
59.01252	1.6
71.01270	1.0
71.59365	0.8
91.01790	14.5
93.03380	1.4
95.01263	1.9
105.03350	0.7
108.02082	2.3
109.02869	0.8
117.03387	0.6
121.02905	4.0
121.03642	0.8
123.00807	9.4
125.02366	6.3
132.02107	1.8
133.02847	3.5
135.00810	19.5
136.01570	0.8
137.02345	1.0
138.03151	1.6
148.01607	4.3
149.02385	46.3
150.02699	2.2
153.01883	13.6
153.05547	1.3
157.06525	1.2
158.03752	0.8
160.01610	4.1
161.02388	18.5
162.03088	2.4
163.00354	0.6
163.03902	0.8
164.04677	0.7
167.04982	2.0
169.06573	0.7
173.06047	1.2
175.03922	1.0
178.02618	0.7
180.00546	3.3
183.04485	2.1
185.06068	3.4
187.03972	1.3
195.04457	3.4
197.05991	0.8
198.03152	1.1
199.03981	1.2
200.04639	1.0
201.05540	8.7
202.05981	1.0
211.03978	5.7
211.07460	0.7
212.04655	0.8
213.05568	4.2
214.02650	4.1
215.03474	1.3
215.07271	0.8
223.04109	1.3
224.04697	0.8
227.03490	1.5
228.04172	1.1
229.05069	15.5
230.05740	1.6
239.03520	9.6
240.04123	1.9
241.05006	4.3
242.02213	1.4
256.03842	0.7
256.07327	1.2
257.04614	11.7
258.04797	0.9
267.03049	16.0
268.03775	3.8
269.04565	2.5
270.01727	1.7
270.04855	0.9
271.09805	0.7
272.06967	1.0
282.05389	5.6
283.05978	1.9
284.03369	1.2
285.04114	62.0
286.04477	4.8
297.07751	15.5
298.08228	1.4
299.05609	1.5
300.06454	47.4
301.06808	3.4
315.08810	100.0
315.16275	2.5
316.09091	10.4
336.84103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.70784	0.5
59.01264	1.5
70.90630	1.2
71.01280	2.8
73.02836	1.0
81.03343	1.5
85.02843	2.5
95.01288	1.9
101.02332	1.0
108.02077	100.0
109.02876	45.6
110.03200	1.2
113.02342	0.9
117.05469	3.0
121.02869	0.9
123.00767	1.7
123.04423	3.7
129.87396	0.6
133.02905	0.8
135.04462	0.9
145.02945	1.0
151.03941	1.3
152.01096	59.9
153.01880	60.4
153.05443	3.3
154.02190	2.0
163.03969	1.3
165.01898	1.5
184.05948	0.6
315.07300	79.5
315.15826	1.6
316.07556	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	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.68478	0.5
59.01244	0.7
70.15539	2.9
71.01270	2.0
73.02870	0.9
75.00742	0.5
81.03371	0.6
82.60326	0.6
84.82745	0.5
85.02851	2.4
88.57251	0.5
95.01302	1.1
99.00777	0.9
101.02395	0.7
104.09126	0.5
108.02081	93.3
109.02878	44.3
110.03215	1.7
113.02393	1.3
116.27052	0.5
118.69001	0.6
121.02891	1.2
123.00814	0.8
123.04422	1.3
133.02899	1.0
135.00826	1.9
135.04378	0.7
151.03958	1.6
152.01097	64.2
153.01884	42.8
153.05513	1.1
154.02220	1.4
163.03896	1.3
165.01883	2.1
192.94695	0.6
195.03029	1.1
213.43468	0.6
225.03934	0.9
278.37491	0.6
305.66049	0.5
315.07297	100.0
316.07648	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02161	0.5
57.03329	0.7
57.65995	0.5
59.01269	5.4
60.56779	0.4
61.98710	0.6
63.94909	0.5
70.74586	1.4
71.01248	0.6
83.04896	0.7
89.02336	1.0
91.03899	1.2
95.04909	0.6
97.06488	1.1
106.04147	0.8
121.02872	1.9
159.11737	1.6
168.02727	0.5
177.12816	24.2
178.13150	1.9
181.94820	0.4
192.53651	0.4
195.13884	100.0
196.14223	6.8
203.10722	2.2
221.11845	11.6
239.12914	26.4
240.13229	2.3
255.03133	0.6
279.90085	0.5
313.16663	42.4
314.17007	3.8
338.88297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.8653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35344	0.7
50.77895	0.7
54.53795	0.8
56.72213	0.7
59.01256	1.2
59.77163	0.8
69.54687	2.6
69.55113	3.5
79.95619	1.1
88.96262	0.9
96.95895	7.1
104.10427	0.7
131.42668	0.8
136.93939	85.0
137.93071	0.8
137.93991	5.0
145.02933	1.3
178.94995	3.7
194.33968	0.7
216.89679	79.6
217.89752	5.8
227.06673	1.3
234.90750	42.7
235.90768	3.1
252.93593	1.0
272.85489	56.6
273.85602	2.3
276.88254	1.3
287.84204	11.4
288.88449	1.4
290.86584	32.6
291.86719	2.0
296.85593	3.4
305.85226	2.0
314.61490	0.9
314.86533	100.0
315.16077	1.7
315.86618	5.9
316.84488	2.0
332.87628	10.3
334.85339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93305	0.4
57.03328	0.6
58.40753	0.4
59.01271	5.4
63.77802	0.4
69.66132	1.4
69.66561	2.1
69.95566	0.4
71.01298	0.7
83.04907	0.9
85.15836	0.4
89.02356	1.0
91.03912	2.0
97.06485	1.7
106.04177	0.6
107.04930	0.4
121.02863	1.6
121.10155	0.4
149.76030	0.4
159.11757	1.3
172.20897	0.4
175.11214	0.8
177.12816	24.9
178.13185	1.9
195.13889	100.0
196.14233	6.8
203.10687	2.2
204.26086	0.5
221.11841	10.7
222.12155	1.1
227.03503	0.7
239.12921	26.1
240.13203	2.6
255.03029	0.7
283.02533	3.7
298.05029	1.6
313.07190	2.7
313.16660	45.7
314.16928	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	313.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93855	0.4
57.03344	0.6
59.01265	5.2
61.98713	0.5
66.87931	0.4
70.01519	0.9
70.01942	1.3
71.01264	1.8
83.04945	0.9
85.02864	0.5
89.02335	1.8
91.03901	1.4
95.04916	0.4
97.06494	1.2
98.19918	0.4
101.02347	1.0
106.04160	0.5
107.04926	0.4
112.28672	0.4
119.03379	0.6
121.10133	0.6
137.02426	0.8
151.04010	0.5
159.11719	1.5
177.12813	23.5
178.13164	1.6
195.13879	100.0
196.14209	5.5
203.10716	2.3
211.03979	0.5
214.02731	0.4
221.09641	0.5
221.11835	10.6
222.12216	0.6
227.03510	1.2
239.03581	1.3
239.12903	24.5
240.13216	1.6
249.18233	0.4
253.04681	0.4
253.09222	0.8
255.03061	1.4
259.88623	0.4
267.02994	0.9
282.05408	0.7
283.02704	2.7
283.05472	0.8
285.07727	0.6
298.01321	1.8
298.04849	1.3
299.05164	0.4
313.03491	1.3
313.07181	3.5
313.10831	1.3
313.16647	39.0
314.16983	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	313.1089
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
52.44897	0.5
59.01258	1.7
66.49649	0.6
69.34209	2.8
69.34640	2.6
71.01266	0.8
76.02782	0.5
82.93147	0.5
83.98863	0.5
89.80630	0.5
109.02916	0.6
111.99770	0.6
121.02869	1.0
135.04399	2.2
149.06007	2.0
155.04991	0.9
159.04489	2.8
161.02412	1.3
163.03935	1.0
165.05499	1.0
171.04451	1.7
173.05997	2.1
175.03949	2.5
183.04506	3.1
185.06065	2.5
187.03960	4.8
188.04718	3.7
189.05406	0.8
191.07095	1.0
197.02338	1.3
199.03975	2.7
201.05557	4.9
202.06238	1.7
211.01967	0.7
211.03976	13.0
212.04500	1.3
213.05536	2.2
214.02657	1.4
215.03491	8.4
215.06956	0.8
216.03773	0.9
216.07944	1.4
225.05582	1.3
226.02606	1.2
227.03438	3.3
227.07109	1.2
228.04245	2.4
229.05049	12.0
230.05603	1.3
237.05627	0.8
239.03513	8.2
240.04280	5.0
242.02277	1.3
243.03009	50.0
243.06842	1.7
244.03404	3.6
251.07141	0.9
252.07904	0.8
253.05122	2.4
253.08875	0.7
254.05803	2.8
255.03050	4.9
255.06596	4.3
256.03790	5.0
257.04584	38.8
258.04987	2.9
267.10306	1.1
269.04544	0.7
270.05429	3.3
271.06165	8.7
271.09579	1.0
272.06949	53.1
273.07376	4.8
280.07495	1.2
283.02466	2.3
285.07837	1.3
295.10010	2.5
298.04895	1.2
313.10867	100.0
314.11179	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77372	0.4
57.81849	0.5
59.01266	6.7
67.44387	0.6
71.01268	1.4
71.60875	0.8
83.04917	1.2
89.02339	1.7
91.03902	1.3
97.06470	1.0
100.65276	0.5
106.04156	1.2
109.02879	0.6
135.00719	0.7
145.02925	0.6
148.35742	0.5
157.03041	0.5
159.11703	1.2
161.02464	0.5
171.84119	0.5
175.11253	0.7
177.12810	24.6
178.13120	1.2
183.04529	0.6
195.13884	100.0
196.14226	6.8
203.10751	2.6
221.11833	10.5
222.12216	0.7
227.03462	3.6
238.84850	0.5
239.03661	0.6
239.12923	25.8
240.13252	1.5
253.09409	0.7
255.02946	5.8
256.03339	0.8
267.03082	0.6
269.04611	1.1
283.02563	8.4
284.02887	0.7
297.03949	0.7
298.04874	4.7
313.03635	1.6
313.07248	15.6
313.10736	1.6
313.16656	46.3
314.07617	1.9
314.16974	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	313.0726
Annotation	Sylpin
Peak:m/z	Relative Intensity
55.27423	0.1
59.01271	0.8
70.20322	0.3
70.20715	0.3
71.01274	0.5
72.96709	0.1
77.03864	0.3
89.02339	0.4
93.03345	0.2
101.02345	0.2
113.02405	0.1
121.02873	100.0
122.03208	3.0
124.02229	0.1
130.97906	0.1
135.99286	0.1
161.04517	0.1
180.05801	1.0
181.06546	4.4
182.06940	0.4
225.05588	7.2
226.05960	0.4
227.03447	0.2
253.09265	0.6
269.08246	0.3
283.02612	0.4
298.04849	0.2
313.07260	18.5
313.23837	0.2
314.07617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
53.83870	0.4
57.03290	0.4
59.01255	3.4
62.54253	0.5
71.01260	1.1
71.62290	0.9
73.02815	0.8
77.30743	0.4
82.01298	0.4
85.13310	0.5
86.87659	0.4
89.02344	1.3
91.01764	0.7
96.95910	0.9
106.04146	0.5
135.00803	1.3
145.02936	0.5
165.66605	0.4
177.12781	1.9
182.03714	0.5
183.04451	1.6
186.79890	0.5
195.13882	17.1
196.14223	0.5
199.03903	2.3
209.07159	1.0
211.03973	1.3
221.11731	0.9
227.03514	24.4
228.03885	0.8
229.18149	0.5
239.03455	1.4
239.13017	2.7
241.05046	1.0
252.04350	1.3
253.09401	1.2
255.03027	54.4
256.03366	4.1
267.03278	0.6
269.04596	5.1
281.04623	1.0
283.02548	75.3
284.02911	4.7
297.04126	6.3
298.04889	37.1
299.05258	2.6
313.07260	100.0
313.16656	3.8
313.23901	1.1
314.07605	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0937
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
56.93621	0.8
59.01261	4.0
65.74216	0.9
70.86682	0.8
71.01275	18.1
73.02840	4.6
75.00765	1.1
76.02541	0.9
85.02838	7.2
87.00780	2.1
89.02357	1.1
95.01314	1.3
99.00776	2.4
101.02348	7.9
107.04937	100.0
108.05271	2.6
109.02891	0.9
110.59834	0.9
113.02346	7.5
123.04407	1.9
151.03958	10.5
159.02921	1.4
161.04536	11.9
172.73541	0.8
297.67181	0.9
313.09293	3.3
313.23871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1086
Annotation	CHEBI:70654
Peak:m/z	Relative Intensity
59.01262	8.6
61.98729	1.2
66.15770	1.0
71.01245	2.3
71.60760	1.9
73.02824	1.2
89.02338	3.6
95.33988	0.9
101.02336	3.1
113.02351	1.4
117.03366	3.3
119.03385	2.0
119.04933	2.5
121.02889	2.0
129.03384	3.6
134.03622	1.5
135.04451	83.5
135.59514	0.9
136.04767	3.3
137.09685	1.8
139.11247	1.1
145.02882	13.7
147.04469	22.8
148.05275	9.3
149.06021	100.0
150.06363	4.1
160.62186	1.0
163.03969	2.0
165.04132	2.1
165.05527	41.9
166.05797	1.9
183.13864	1.4
199.00722	1.0
205.08615	1.0
216.25966	0.9
227.03484	2.1
230.98257	1.3
253.09311	4.9
255.03128	1.9
263.35605	1.0
277.21841	1.2
283.02661	4.7
283.09811	6.0
295.09854	1.7
298.04816	5.4
313.07227	4.9
313.11325	2.2
313.14853	5.7
313.20792	1.8
313.24030	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	311.2235
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.16481	0.5
56.16756	0.5
57.03339	0.7
58.00481	5.5
59.01262	19.9
61.98717	0.8
71.01264	4.0
72.99197	0.6
73.02846	1.7
84.02073	0.5
84.93568	0.6
89.02327	2.9
101.02356	3.2
109.06496	1.1
113.02378	0.7
121.10133	1.1
125.09644	2.9
127.07571	3.6
127.11200	4.9
133.02885	2.5
133.06502	1.3
135.04453	1.4
137.09595	0.8
139.11197	0.9
145.02824	0.9
149.04640	0.9
149.05997	2.1
155.10678	1.8
161.04480	1.1
161.19148	0.6
163.03946	1.5
165.09186	1.5
171.10208	6.4
183.10176	1.0
183.13876	13.1
184.14162	0.8
195.13870	1.4
199.09717	1.0
201.11304	40.7
202.11623	2.0
213.15001	4.3
223.13356	1.0
241.14476	4.2
251.11447	3.6
275.20218	3.1
279.10281	1.6
293.21274	5.6
294.58469	0.6
297.10004	0.8
311.12842	4.8
311.22336	100.0
312.12598	1.0
312.22635	8.2
330.70157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	Melannein
Peak:m/z	Relative Intensity
70.91669	0.8
74.37110	0.2
80.96311	0.3
108.02084	0.6
109.02871	1.9
117.93353	0.2
121.02883	1.6
123.00810	0.3
124.01573	2.7
133.02882	1.0
136.01604	0.6
137.02373	2.5
145.02940	0.4
146.03709	0.3
147.76558	0.3
148.01598	1.0
155.04980	2.1
159.04436	0.6
161.02414	3.9
163.00331	1.2
164.01091	1.1
167.26912	0.2
171.04500	0.4
173.06067	0.4
174.03194	0.6
176.01138	1.6
182.03706	3.6
183.04478	14.8
184.04759	0.8
185.02409	1.2
187.04042	0.5
189.01917	0.9
195.04445	0.3
198.03194	0.9
199.03973	10.5
200.04417	0.3
208.05249	0.5
210.03111	0.3
211.03989	3.1
213.01949	0.5
223.04080	0.4
224.04788	1.1
225.05531	0.6
226.02716	3.0
227.03499	50.3
228.03862	3.3
238.02742	0.4
239.03532	1.2
240.04214	0.4
241.05106	0.6
251.03531	1.1
252.04329	2.3
253.04959	1.3
254.05957	0.7
255.03020	15.8
256.03403	1.0
263.03705	0.3
267.02707	0.3
268.03912	0.7
269.04581	2.6
270.05377	4.9
279.03070	1.2
280.03836	6.0
281.04532	0.8
283.02536	71.2
284.02948	4.1
297.04114	6.1
298.04886	63.7
299.05215	4.6
313.07245	100.0
314.07574	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.01617	0.6
57.03332	1.6
58.00491	0.8
59.01263	29.0
61.98744	0.7
69.42678	0.6
71.01263	4.5
73.02856	0.9
83.04920	0.9
89.02326	2.9
89.43767	0.6
93.03394	0.8
95.04926	1.0
98.20643	1.6
99.08073	0.8
101.02335	3.1
121.10141	0.9
123.08111	0.8
125.09664	1.6
127.11225	4.5
129.09151	1.5
131.03416	1.2
137.09648	1.0
139.11211	7.7
149.06015	2.9
150.39771	0.6
155.10709	2.4
161.04468	2.2
164.04018	0.7
165.09109	0.8
169.12216	0.7
171.10214	38.8
172.10507	1.2
181.12305	1.4
183.10315	3.1
183.13768	0.8
185.11783	6.3
197.11874	2.9
199.13382	1.1
201.11296	6.3
211.13390	5.4
230.49646	1.1
251.11429	5.0
252.11624	0.8
275.20236	2.8
293.21301	12.6
294.21439	1.4
296.10666	0.9
297.53638	0.6
311.05975	1.6
311.13153	4.1
311.17279	2.9
311.22342	100.0
312.13474	1.0
312.22672	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2236
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03326	2.7
59.01264	54.6
59.42916	1.1
61.98719	1.7
64.78522	1.6
69.28719	13.3
71.01266	7.8
71.39346	1.1
73.02823	2.8
74.21512	1.1
85.02879	1.1
85.06440	1.1
87.00751	1.3
87.70662	1.1
89.02337	6.3
98.19839	2.6
101.02335	7.3
111.00735	1.1
113.02373	1.4
121.10151	1.4
122.50500	1.2
125.09670	2.5
127.11208	3.9
131.03403	1.9
136.84985	1.1
139.11249	12.8
149.04565	1.5
149.06007	8.4
151.74442	1.3
155.10715	2.8
159.02986	1.2
161.04510	4.2
171.10223	49.0
172.10620	2.8
183.10211	4.3
185.11781	9.8
201.11333	7.7
211.13327	1.7
223.20793	1.7
251.11360	10.7
275.20163	4.7
283.06213	1.3
293.21268	22.9
294.21594	1.3
311.05594	2.3
311.22339	100.0
311.29633	4.7
312.12723	1.5
312.22586	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2024
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.45468	0.1
59.01264	4.6
69.46989	1.1
71.01280	1.3
73.02835	0.2
79.95627	0.2
83.01296	0.2
85.02877	0.2
85.52734	0.2
89.02335	1.0
90.16965	0.2
101.02325	1.0
109.57869	0.2
113.02364	0.3
133.06509	2.6
149.09662	100.0
150.10008	4.7
161.04514	0.3
183.01184	4.1
184.01913	0.5
191.05484	0.2
197.02908	0.3
216.00996	0.2
249.22260	0.3
251.11412	0.9
311.16931	9.4
311.20197	62.5
312.17252	0.8
312.20557	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.3
58.00479	5.3
59.01266	19.7
61.98717	0.5
68.50065	0.5
69.58073	2.9
69.58486	0.7
71.01274	3.4
73.02821	2.2
83.04935	0.5
84.02034	0.5
85.02824	1.1
87.00751	0.5
89.02329	2.6
98.20522	1.0
101.02333	2.3
109.06485	1.2
113.02325	0.5
121.10141	1.2
125.09644	2.9
127.07573	3.7
127.11215	5.8
131.03410	0.6
133.02873	2.1
133.06505	2.0
135.04437	1.4
137.09641	1.1
139.11256	0.9
149.04684	0.6
149.05997	3.7
155.10689	2.4
161.04462	1.3
163.03932	1.8
165.09137	1.7
171.01660	0.5
171.10196	5.8
183.10217	0.8
183.13863	11.2
195.13881	1.7
199.09721	1.7
201.11305	40.4
202.11623	1.4
210.15862	0.5
211.13277	0.7
211.16103	1.0
213.14951	4.1
223.13324	1.4
231.21205	0.5
241.14462	2.9
251.11455	3.1
275.20221	3.2
279.10278	2.5
293.21277	5.7
297.09930	0.7
311.05743	1.0
311.12909	3.6
311.22336	100.0
312.12701	0.9
312.22678	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	311.1145
Annotation	Manglieside A
Peak:m/z	Relative Intensity
59.01255	0.5
69.49568	0.1
69.49977	0.7
71.01263	0.1
73.02805	0.1
88.55237	0.1
98.19752	0.2
102.48189	0.1
103.85127	0.1
107.62317	0.1
108.02079	0.4
108.43797	0.1
121.06532	0.1
122.03640	0.8
124.01623	0.1
130.04086	0.1
131.04916	0.2
147.04460	1.0
148.05247	1.7
149.06017	100.0
150.06358	4.9
164.63165	0.1
283.06351	0.2
295.25189	0.1
311.05713	0.4
311.11499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76906	1.0
55.01782	1.1
59.01265	100.0
71.01270	11.9
71.57693	2.1
73.02850	3.4
73.03230	1.0
75.00758	1.6
80.51038	1.1
83.01278	1.8
85.02843	2.7
87.00813	1.5
89.02318	7.1
99.00764	1.8
101.02349	9.8
108.16188	0.9
113.02380	3.4
125.24549	1.0
131.03404	2.0
131.99843	1.1
149.04498	1.3
161.04495	9.2
182.25270	1.0
233.62598	1.2
248.81569	1.2
251.11391	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	311.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.8
57.03668	0.6
59.01266	100.0
60.01610	1.8
69.05941	0.6
71.01270	12.8
71.21241	1.4
72.99200	0.9
73.02844	3.1
83.01252	1.5
85.02856	4.0
89.02347	6.0
93.41188	0.6
95.79222	0.7
99.00799	1.4
101.02351	12.0
113.02374	3.3
119.03444	1.2
125.02372	0.8
131.01190	0.7
131.03455	1.1
133.12881	0.6
143.03435	0.7
149.02438	0.8
149.04541	1.8
159.03061	0.8
161.04518	9.0
251.11385	25.5
252.11761	1.2
279.18204	0.6
311.09973	0.7
311.22235	1.2
311.29712	0.6
321.20520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0992
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01775	3.3
57.03337	3.3
58.00480	4.0
59.01265	100.0
71.01272	80.0
71.01679	3.7
71.30190	3.5
72.99197	2.8
73.02835	13.7
79.14489	1.7
80.72408	1.7
83.01286	4.3
85.02821	10.0
87.00767	4.4
89.02335	78.6
98.91210	1.8
101.02348	61.8
101.03023	3.6
102.02667	2.3
113.02373	9.6
119.03403	10.9
131.03426	23.3
139.63129	2.1
149.04518	32.4
180.97903	1.8
191.05597	12.6
291.82825	2.0
311.09897	31.7
312.10193	2.4
323.83984	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.3
57.03337	2.8
58.00468	4.7
59.01269	100.0
63.43501	1.5
69.03362	2.2
69.70260	7.8
69.70660	3.9
71.01272	86.9
72.99196	5.8
73.02843	12.2
83.01278	5.1
85.02838	14.1
87.00789	3.1
89.02342	91.0
95.01238	1.5
98.12994	1.8
99.00758	2.4
101.02351	56.1
113.02361	16.2
119.03407	11.3
131.03445	22.5
131.29552	1.8
141.48203	1.6
149.04510	23.6
161.04561	2.5
191.05588	10.5
251.11403	2.2
265.33636	1.8
284.50766	1.7
311.09937	55.8
312.10059	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	311.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
71.01264	0.3
71.37838	0.2
74.58950	0.1
89.02336	0.3
93.03355	0.2
101.02328	0.4
108.02083	0.4
122.03632	0.4
147.04443	0.9
148.05226	1.6
149.06018	100.0
150.06352	4.4
187.72289	0.1
218.38602	0.1
224.08084	0.1
226.26575	0.1
251.11395	0.2
283.06442	0.2
283.09796	0.3
311.05585	0.3
311.11948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0931
Annotation	3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
50.82499	0.7
55.38816	0.6
57.46938	0.7
59.01266	23.8
63.46239	0.8
69.52064	2.3
69.52480	4.1
71.01271	4.2
73.02833	1.1
85.02851	1.7
87.00784	0.8
89.02357	3.5
101.02313	3.9
113.02345	1.2
131.03432	1.0
149.04707	0.9
149.06044	4.9
161.04482	1.5
170.07375	1.2
183.17064	0.7
185.06026	1.4
186.06793	3.8
188.04750	1.0
195.04500	1.1
198.06918	0.8
199.03992	2.3
201.05540	1.2
209.06059	1.2
209.09694	1.5
211.04025	1.6
212.04781	0.9
212.08459	1.1
213.05554	16.3
214.06349	25.4
215.06592	1.1
223.07632	1.7
223.17021	0.8
224.06570	0.8
225.05658	3.0
227.03520	2.9
227.10643	1.6
228.04332	1.1
228.07700	0.7
230.05669	1.3
237.05641	1.3
237.09236	1.1
238.09987	0.9
239.07065	1.2
239.10637	0.9
241.05064	2.3
242.05818	4.1
243.03004	1.6
249.09221	1.8
250.09956	0.7
251.07153	4.7
251.11392	5.7
252.07851	1.4
253.05000	1.7
253.08916	1.2
254.09512	2.6
255.10307	100.0
256.10629	7.7
265.08755	1.3
267.10263	5.5
267.16019	1.0
269.04587	4.6
270.05392	18.7
271.05746	1.2
283.09814	37.2
284.10086	2.6
311.09323	90.5
311.26108	1.4
311.29776	1.3
312.09598	6.7
317.00888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03338	1.3
58.00471	1.8
59.01259	5.9
69.03315	1.9
71.01273	1.7
71.11626	2.1
81.26227	0.9
81.71085	1.1
88.65788	1.0
97.06525	0.9
99.00783	1.4
109.06490	2.0
111.08069	27.3
112.08397	1.0
121.06490	1.1
127.07572	2.7
137.09657	1.4
151.03932	1.7
151.07574	3.5
151.11208	1.4
152.08366	2.8
153.12791	1.4
162.10449	0.9
167.10748	1.5
169.12289	6.2
171.10233	2.7
181.12302	2.6
183.13831	1.7
197.11813	100.0
198.12109	5.6
199.13374	3.5
208.23468	0.9
209.15407	7.0
211.13380	10.2
227.12860	2.2
237.02379	1.0
247.20808	1.0
263.20267	6.8
265.18124	3.6
273.18658	1.9
291.19724	21.8
292.20004	2.5
309.11130	1.1
309.17166	8.8
309.20770	40.3
310.21069	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.14624	0.7
57.03341	8.3
59.01264	5.9
69.03330	2.5
69.10415	0.7
71.04905	5.5
71.17523	1.7
72.97160	0.7
83.04922	5.2
85.06483	6.2
87.04402	2.1
95.04900	1.2
97.02840	1.8
97.06478	1.8
98.03656	0.9
101.06019	0.9
103.79183	0.7
109.06502	5.3
110.06910	0.8
111.04422	2.8
111.08089	1.1
127.07637	0.9
129.09117	0.8
129.85196	0.9
135.11746	0.8
162.61258	0.8
167.10773	1.7
169.12259	1.0
177.12827	1.7
179.10680	1.6
179.14413	4.4
181.12360	1.1
195.13890	25.4
198.34680	0.7
203.14455	0.7
205.12280	2.5
217.15918	1.0
221.15486	23.8
222.15814	1.3
223.13397	13.1
223.16956	1.7
224.13809	0.8
229.19699	1.2
233.15442	2.3
235.17029	1.6
239.16566	6.0
247.20750	1.6
251.16502	2.9
273.18726	2.1
281.21298	1.0
291.19720	61.5
292.20044	5.8
309.20773	100.0
310.21140	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93934	0.7
57.03323	2.2
59.01269	3.3
69.03326	1.1
71.60736	1.2
79.95631	2.0
79.98309	0.6
81.00282	0.7
81.03328	0.9
83.04921	3.9
89.84921	0.5
91.26623	0.6
95.04924	2.6
96.95915	20.0
97.06495	11.0
99.00822	0.6
109.06480	1.2
111.08076	10.8
111.25743	0.6
112.08380	0.9
126.01720	0.6
129.32446	0.7
131.95894	0.8
143.54213	0.7
147.11737	1.4
151.03954	0.9
151.07584	1.2
152.08426	0.6
163.11246	3.1
165.12799	100.0
166.13161	6.4
171.35463	0.7
183.13866	49.5
184.14203	2.6
209.11839	6.3
209.15501	1.9
227.12857	3.6
265.21835	2.2
297.43201	0.8
309.17484	25.7
309.20770	2.4
310.17810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.14637	1.2
56.76723	1.1
57.03328	1.8
57.21416	1.2
58.00475	2.3
59.01260	9.9
69.03339	1.7
70.52965	4.5
70.96185	1.3
71.01257	2.2
71.04932	3.2
97.06481	1.7
98.19748	1.3
99.00796	1.5
109.06491	1.9
111.08070	37.6
119.08529	1.4
121.82463	1.4
127.07585	2.4
137.02408	1.3
137.09648	2.5
151.03920	4.9
151.07585	8.0
152.08325	5.5
169.12270	4.4
171.10225	4.1
181.12277	2.6
195.13873	2.5
197.11812	100.0
198.12138	4.3
199.13405	3.5
209.15445	33.1
210.15779	1.4
211.13406	10.7
219.11224	1.3
221.15553	2.2
223.17046	10.9
225.14957	3.7
225.27762	1.3
227.12892	3.7
230.23853	1.2
233.15471	5.2
238.61751	1.2
247.20753	1.6
251.16563	13.5
252.16759	1.3
262.13760	1.3
263.20233	5.5
265.18069	5.7
273.18652	6.2
291.19754	30.2
292.20029	3.8
309.17123	24.4
309.20758	62.8
310.17719	1.8
310.21051	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93833	0.4
55.01770	0.7
57.03336	1.1
59.01260	3.7
61.98714	0.7
69.03352	0.5
69.98192	0.4
70.64924	1.3
71.01270	0.7
71.04908	1.6
74.42363	0.4
79.75604	0.4
83.04934	1.0
85.06503	0.9
89.02327	0.4
95.01300	1.7
96.95916	0.4
97.02856	0.8
97.06502	1.4
99.00773	7.4
101.30795	0.5
109.06538	0.6
111.00809	1.6
111.08059	1.6
119.08625	0.5
123.00790	1.3
123.08068	0.4
128.37979	0.4
135.11700	0.5
137.06017	1.1
137.09639	1.5
149.13310	0.8
151.03969	19.5
151.07597	39.7
152.04349	0.6
152.08389	34.9
153.08907	1.7
162.10455	1.2
165.05418	0.5
165.12762	0.6
167.10703	0.5
171.10223	1.6
175.07584	1.5
179.14307	1.0
180.07910	0.8
181.12361	0.7
184.07431	5.7
189.16483	0.4
190.09987	3.3
193.08690	3.8
195.13934	3.5
197.11830	3.7
208.11052	4.2
209.15465	56.5
210.15788	4.5
211.13516	0.7
221.15454	2.5
223.13368	2.1
233.15468	1.1
239.16534	0.9
245.19235	0.7
247.17024	3.2
251.16554	3.0
252.10091	9.8
253.10435	0.9
263.20221	0.7
265.18137	13.4
266.18530	1.2
291.16159	4.1
291.19736	15.2
292.19952	1.1
309.17148	100.0
309.20782	34.7
310.17508	9.7
310.21152	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	307.2285
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
59.01257	2.0
68.11836	0.4
71.01270	0.7
71.36565	0.7
71.36911	0.5
88.45102	0.5
119.56819	0.4
161.04546	1.0
175.77806	0.4
178.40001	0.4
261.95300	0.4
284.09946	0.4
307.22855	100.0
308.23206	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	308.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
61.98717	100.0
71.18391	1.2
71.18740	0.8
309.20975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	13.3
61.98716	100.0
65.73410	1.6
71.01239	2.0
71.55975	2.6
85.09930	1.4
87.23534	1.7
96.95904	1.5
98.36584	1.4
121.06492	2.0
124.39596	2.0
124.45004	1.6
147.44989	1.6
148.47902	2.0
151.00244	2.0
203.97903	1.7
223.13377	2.5
228.85402	1.7
264.63074	1.6
291.19757	4.2
292.58673	1.8
308.19440	2.4
309.17395	2.2
309.20682	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1199
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00492	3.3
59.01265	77.0
65.65674	1.6
69.68491	12.1
71.01270	38.3
73.02832	3.3
81.75421	2.0
85.02831	7.3
85.76763	2.0
87.00774	2.9
89.02335	39.3
101.02335	22.5
113.02370	15.1
119.03404	15.6
119.83002	1.7
143.03410	2.6
149.04477	1.8
161.04515	2.0
179.05598	3.4
249.09718	2.3
309.11960	100.0
310.12256	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90138	2.5
57.03336	14.0
59.01263	48.4
69.03345	3.9
69.36306	2.7
71.01265	29.0
71.04884	3.4
73.02840	3.7
83.04903	7.2
85.02842	5.0
87.00755	2.9
89.02316	4.3
93.03346	5.9
95.04946	3.7
97.02837	3.6
97.06486	24.3
101.02335	5.3
108.20769	3.7
109.06503	4.3
111.08072	13.2
121.02848	4.9
123.04418	3.4
123.08115	3.9
125.09667	6.3
129.09163	3.2
137.09608	4.8
149.09666	4.5
151.11203	24.7
153.09061	4.2
155.10701	12.3
161.04536	14.1
163.11200	6.1
165.12775	31.3
166.13205	3.6
167.10759	7.7
177.12776	3.8
179.10762	6.9
181.12302	39.8
188.65495	3.1
191.09221	2.7
191.10649	17.2
191.14378	8.5
195.10242	3.5
197.11783	3.5
199.17017	2.9
205.12245	4.1
209.11803	82.0
210.12132	3.5
211.13327	9.0
221.31308	3.0
224.10376	3.4
226.12044	2.8
239.09280	6.7
245.19118	41.9
263.20193	10.1
271.17047	5.7
279.19754	4.2
289.18188	44.5
290.18454	4.6
307.10577	13.9
307.19214	100.0
308.19791	13.7
309.21420	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.0
59.01267	14.1
61.98711	2.2
69.03324	0.6
69.99596	2.0
70.00003	1.2
70.08082	0.8
71.01259	4.6
71.04909	5.5
73.02845	1.1
75.53273	0.7
80.02568	0.9
81.03351	2.3
81.96166	0.5
83.01270	0.7
83.04918	1.8
85.02842	1.2
87.00788	0.7
89.02319	1.2
95.01236	0.6
95.04914	1.9
96.95908	1.8
97.06472	0.7
98.03600	1.0
98.05483	0.7
101.02349	1.2
103.03889	0.7
106.04095	1.1
109.02843	0.7
109.06503	12.4
110.06834	0.7
111.04430	5.0
111.08059	1.3
112.05236	0.8
113.02354	0.8
115.03922	1.0
121.02882	1.2
123.08086	1.1
127.07557	2.3
131.37210	0.6
135.08147	0.7
137.09657	1.1
143.10707	1.4
145.06532	2.1
149.06087	0.7
149.09644	1.0
151.11238	1.0
161.04532	4.1
163.11192	0.8
167.10736	2.2
167.55223	0.6
177.12737	0.6
179.10672	0.9
195.13918	3.9
206.89365	0.6
235.13397	2.0
245.19160	5.2
251.16624	1.0
263.20123	1.0
271.16998	1.1
287.16632	2.2
289.18164	100.0
290.18515	7.0
307.10324	3.9
307.15836	1.4
307.19186	14.2
308.19614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	14.9
59.01266	51.9
61.98719	8.9
69.03317	5.9
70.76739	7.4
71.01276	29.0
73.02824	3.9
79.70162	3.0
80.02567	2.9
83.04915	6.4
85.02825	5.1
86.86228	2.8
87.00776	3.8
89.02338	5.3
93.03394	4.4
95.04933	5.4
97.06490	24.9
101.02321	7.4
103.03941	3.8
106.04124	6.2
107.08565	4.9
111.08065	12.5
113.02368	4.9
119.50509	3.0
121.02856	8.8
121.06511	23.8
123.04452	4.8
123.08041	5.6
125.09642	25.1
127.11218	4.0
135.08083	12.3
137.09653	8.3
151.11238	29.3
153.09125	17.3
155.10686	13.6
161.04510	17.3
163.11209	7.0
165.12788	30.9
167.10732	6.1
171.10223	60.9
175.06209	3.2
177.12723	3.9
179.10710	13.2
181.12326	37.4
185.11797	77.4
186.12096	4.1
191.10724	11.7
191.14415	6.5
205.12167	3.3
209.11821	89.4
210.12169	4.2
211.13396	8.0
212.10556	4.9
227.12883	5.6
233.39868	3.1
235.20691	3.3
235.74280	3.1
245.19156	39.8
261.18604	10.8
263.20160	17.1
264.27176	3.1
271.17212	5.6
279.19690	15.3
289.18124	48.8
290.18408	5.9
307.10208	13.9
307.15729	7.4
307.19193	100.0
308.19748	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22774	0.6
57.03315	1.1
57.18564	0.6
58.00470	1.3
59.01265	34.8
70.51362	2.0
71.01271	20.9
72.99203	1.9
73.02838	1.8
81.74434	0.6
83.01286	2.0
85.02842	4.6
87.00793	1.3
89.02338	16.4
94.63931	0.5
95.01271	1.0
96.95892	0.6
98.20484	0.6
99.00751	0.7
99.08058	19.5
101.02350	13.0
102.83844	0.6
108.33607	0.6
113.02370	7.5
113.09608	0.8
119.03425	7.8
127.07571	5.7
129.09149	1.0
141.09140	2.0
143.03419	0.8
145.08640	59.1
146.08975	2.5
161.04521	1.3
187.09752	0.9
204.30379	0.7
275.90714	0.7
307.14038	100.0
308.14423	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	307.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
57.55531	0.9
59.01261	100.0
69.61076	4.0
69.61494	1.7
71.01270	10.2
72.52724	0.9
72.99218	1.3
73.02841	2.6
75.00791	1.2
83.01311	1.4
85.02835	8.4
88.03937	1.5
89.02343	4.3
94.54517	0.8
95.01276	1.3
96.95906	1.1
98.20575	0.9
99.00767	1.0
101.02334	7.2
101.05994	1.2
108.20657	0.9
111.00798	2.5
113.02364	3.8
119.03394	1.4
122.22948	0.9
127.07522	1.0
129.01869	2.7
131.03403	1.1
132.02977	4.5
147.04353	1.0
158.79027	0.9
159.02892	1.1
160.01564	1.3
161.04521	4.1
175.03943	2.2
216.81331	1.0
233.08086	1.3
247.11966	1.5
265.12927	4.9
307.10797	1.3
307.13892	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	6.5
59.01262	14.9
60.89645	1.2
67.01765	1.6
69.03334	3.3
71.01270	4.4
76.38795	1.3
79.95643	2.6
80.02575	2.1
81.03351	5.7
83.01273	9.5
83.04912	5.1
85.02850	2.2
88.36627	1.1
89.02330	1.8
91.75497	1.3
93.03339	2.4
95.04916	4.6
97.02850	5.4
97.06474	12.2
98.19820	4.7
101.02357	1.5
106.04145	1.8
107.04959	1.5
108.02032	1.6
110.03619	1.7
111.08071	1.3
121.06505	3.2
123.04436	11.5
123.08052	6.2
125.06019	1.7
125.09631	21.3
129.30061	1.3
135.08051	5.0
137.09634	12.3
141.12805	4.6
142.02673	1.4
142.62331	1.4
149.06026	3.3
151.11218	2.4
161.04543	4.6
161.09618	1.6
162.10521	2.0
163.07555	4.0
163.11252	16.8
165.09096	2.3
165.12801	4.8
167.10725	3.3
171.10234	1.7
177.12691	1.7
179.10736	2.2
181.12263	5.3
185.11789	24.0
191.10739	4.0
191.14377	21.8
207.10263	8.2
209.11809	51.1
210.12141	3.0
211.13408	2.4
225.11337	13.9
226.12109	2.4
233.15314	1.6
245.19125	46.1
246.19420	3.9
261.18576	1.4
263.20193	2.7
271.17197	5.3
289.18155	100.0
290.18509	7.2
307.10254	2.5
307.19220	48.6
308.19263	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.6
61.98689	0.6
64.60805	0.3
71.01276	2.1
71.52637	0.6
73.02829	0.7
74.98967	3.7
83.01256	0.4
85.02814	0.4
89.02328	0.6
91.02113	2.7
93.00034	3.8
101.02336	1.2
103.03910	0.5
111.67034	0.4
113.02395	0.4
115.03944	0.5
149.00923	2.3
159.07172	0.6
159.08426	7.0
161.04457	1.6
161.06355	2.3
180.17244	0.4
192.98100	0.5
206.99693	1.3
209.01222	2.7
210.99200	0.5
217.07153	0.7
223.02841	47.8
223.90631	0.4
224.02888	3.9
225.00684	0.7
241.03993	1.8
275.06067	0.6
289.07605	1.5
291.09167	100.0
292.09274	10.6
307.12711	3.3
307.19339	0.7
308.12418	0.4
309.10211	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	307.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40228	0.2
55.13850	0.2
58.00504	0.2
59.01269	0.9
59.96589	0.4
71.01279	0.4
71.09645	0.4
74.98958	4.5
85.02859	0.2
85.83727	0.2
91.02099	2.6
93.00028	3.0
137.23457	0.2
149.00893	2.2
159.08417	7.5
160.08601	0.3
161.04616	0.3
161.06331	2.2
192.98146	0.7
196.64175	0.2
206.99713	1.4
209.01254	2.7
217.07230	0.5
223.02834	49.3
224.02858	3.6
225.00809	0.4
231.17552	0.4
241.03850	1.2
275.06070	0.4
289.07590	1.8
291.09158	100.0
292.09271	10.0
307.12393	4.0
308.12415	0.5
309.10233	1.9
321.40018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1405
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01777	1.3
57.03318	0.6
58.00475	1.4
59.01266	63.3
60.01303	0.8
60.01594	1.1
65.59891	0.6
66.29253	0.6
69.23318	4.9
69.23743	3.2
71.01271	22.8
72.99201	2.3
73.02833	1.4
79.91411	0.8
83.01284	1.7
85.02837	5.0
87.00761	1.7
89.02341	20.8
95.01282	1.7
99.08058	21.3
101.02344	15.6
113.02355	7.5
119.03408	7.6
127.07592	4.0
129.09148	2.9
141.09106	1.6
143.03398	1.1
145.08640	60.7
146.08972	0.9
161.04539	1.2
179.05579	0.9
187.09717	1.4
247.07866	0.7
251.28506	0.7
262.33032	0.7
307.14053	100.0
308.14398	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	305.115
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01259	4.4
62.16821	0.8
65.99731	0.7
66.93599	0.6
69.54919	4.6
70.89849	0.6
71.01260	1.5
81.02821	0.6
82.02866	3.8
85.02881	0.8
90.89738	0.7
92.04971	0.8
94.02874	2.0
96.04455	3.5
98.20519	1.5
101.02360	0.8
104.62106	0.5
120.04503	1.0
122.03654	3.7
122.06042	2.2
136.03923	1.4
138.05536	100.0
139.05905	3.2
139.88869	0.5
145.08755	0.6
149.67126	0.7
150.05479	0.9
188.07173	0.7
190.08789	1.1
216.10275	0.9
217.06255	0.7
218.07004	2.1
218.11850	1.9
221.39433	0.7
233.09402	5.1
244.09825	1.6
261.12503	11.5
262.12848	1.0
287.10638	1.6
295.03961	0.7
305.11514	19.5
306.11957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0849
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.47592	0.2
57.03333	1.3
59.01251	1.3
61.00905	12.6
69.03348	0.7
70.47068	0.7
71.01266	1.0
72.99203	0.2
73.02833	1.0
75.26192	0.3
85.02843	1.2
87.00771	0.9
87.04407	1.8
89.02350	2.6
91.43592	0.2
99.02493	0.6
101.02363	1.7
103.03960	0.3
113.04081	2.4
115.01998	12.9
116.02339	0.3
126.84440	0.3
129.03571	1.3
131.03404	0.6
131.05144	0.4
132.11676	0.3
146.16753	0.2
149.04512	3.0
156.03413	0.7
157.03078	30.1
158.03432	0.8
159.87735	0.3
161.04480	0.3
175.04150	23.2
176.04532	0.5
203.27406	0.3
245.08429	0.7
246.05453	0.3
247.06335	1.4
307.08493	100.0
308.08862	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	305.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78818	0.3
59.01266	1.6
61.98232	0.3
65.99728	0.6
69.80339	0.8
69.80756	1.1
71.01266	0.5
82.02880	4.2
84.23487	0.3
85.02849	0.3
91.51329	0.3
92.04969	0.5
93.03323	0.3
94.02884	1.6
96.04443	5.0
97.02859	0.7
98.19801	0.5
110.06042	0.5
113.02456	0.4
120.04463	1.3
122.02353	0.5
122.02759	0.3
122.03647	4.5
122.06026	2.0
125.75562	0.3
136.03998	1.7
136.07588	0.3
138.05537	100.0
139.05896	3.7
144.60495	0.3
149.04742	0.3
150.05505	0.5
161.04732	0.5
162.39984	0.3
174.05634	0.3
178.08687	0.5
181.27208	0.3
188.07130	1.0
190.08742	1.0
202.08678	0.7
216.10275	0.6
217.06204	1.0
218.06926	2.8
218.11798	1.6
229.06149	0.3
233.09334	4.6
244.09723	0.8
245.09430	0.6
246.09482	0.3
261.12500	12.1
262.12875	0.7
287.10489	1.7
287.13348	0.4
305.11487	17.8
305.69125	0.3
306.11865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1667
Annotation	Viridamine
Peak:m/z	Relative Intensity
56.27111	0.1
59.01249	0.2
60.97397	0.4
61.45549	0.1
67.08325	0.1
70.19054	0.5
74.98970	0.5
78.08785	0.1
91.02104	0.1
93.00056	0.2
109.84731	0.1
118.96194	0.3
134.99329	4.5
135.99388	0.1
136.97256	1.9
141.07385	0.4
143.05240	0.4
145.02908	0.3
146.03255	0.1
150.98822	0.5
152.96800	0.2
159.08409	1.3
160.90927	0.1
161.06345	5.5
162.06543	0.2
183.13863	0.3
201.04079	0.5
203.05617	2.4
205.03589	0.8
215.05656	0.8
217.07205	77.2
218.07341	6.0
223.91524	0.1
225.85919	0.1
235.08289	0.5
261.06250	0.6
283.11902	0.4
285.13531	33.1
286.13730	3.3
301.16663	100.0
302.16843	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	304.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56839	0.3
56.26265	0.3
58.02861	41.1
59.01254	0.4
59.03193	0.3
67.83884	0.3
69.40399	0.3
69.46399	2.7
69.71942	0.3
71.83940	0.3
74.31769	0.3
98.19757	0.3
125.06892	0.3
131.47855	0.3
133.24533	0.3
151.11310	0.3
166.22328	0.3
168.13889	100.0
169.14215	4.6
176.56949	0.3
196.29076	0.3
212.12915	3.1
232.47104	0.4
301.35242	0.3
304.19278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99506	0.2
59.01267	0.6
69.61057	0.7
69.61487	0.7
77.20096	0.2
89.02356	0.4
91.03909	0.9
97.06483	0.2
111.08019	0.2
151.84222	0.2
165.12814	2.8
183.13875	100.0
184.14200	4.1
209.11798	2.8
210.12170	0.2
227.12907	4.3
228.13338	0.3
233.24666	0.2
301.16629	14.7
302.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01270	1.8
62.61929	0.2
69.38653	0.4
69.38974	2.0
71.01285	0.2
78.09439	0.2
89.02334	0.4
89.81502	0.2
91.03893	1.0
93.87225	0.2
96.39297	0.2
97.06487	0.2
165.12808	3.6
166.13094	0.3
183.13876	100.0
184.12491	0.3
184.14194	5.2
193.53423	0.2
209.11815	2.6
227.12901	5.1
228.13266	0.3
235.33105	0.2
242.38988	0.2
271.05930	0.2
272.42361	0.2
292.69965	0.2
301.03473	0.3
301.16647	13.6
302.17084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.0
64.97028	0.3
69.45317	2.2
71.01259	0.3
89.02337	0.6
91.03899	0.8
102.64109	0.3
109.02871	1.3
111.08086	0.3
121.02906	0.3
123.00737	0.4
149.02409	0.3
151.00328	0.3
160.30252	0.3
165.12807	4.4
166.13124	0.3
177.01924	0.5
183.13873	100.0
184.14209	4.4
209.11853	2.4
227.12897	5.8
228.13248	0.3
286.05060	0.5
286.08380	0.3
301.03714	0.5
301.07190	1.2
301.16669	15.2
302.16895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34375	0.1
57.76698	0.1
59.01271	0.8
71.06704	0.2
71.07043	0.3
80.77745	0.2
89.02329	0.4
91.03895	1.0
97.06512	0.2
109.73910	0.2
111.08047	0.3
165.12802	3.3
166.13251	0.1
166.46141	0.1
181.19254	0.1
183.13875	100.0
184.14218	5.2
209.11813	2.4
211.56511	0.1
215.03560	0.2
227.12898	5.2
228.13356	0.2
236.75482	0.1
237.87619	0.1
271.02475	1.1
286.04907	0.8
301.16641	13.0
302.17010	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	301.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98764	0.9
59.01261	6.0
59.69403	0.9
69.67020	4.7
69.67417	1.7
91.64450	1.0
113.02331	1.4
118.06551	2.9
121.02808	1.4
123.00768	1.9
147.03198	1.8
148.03857	1.3
149.02396	1.2
160.03975	11.7
161.04773	86.8
162.01903	1.1
162.05557	19.2
163.02585	1.3
164.03485	8.6
174.53870	1.1
175.02736	8.2
176.03430	2.2
192.02989	16.2
193.03783	76.0
194.04167	4.4
208.02534	2.4
213.05644	1.5
253.06107	1.5
271.10928	25.2
272.11340	2.4
283.10941	100.0
284.11304	7.4
301.03625	4.5
301.11975	35.4
301.17139	4.1
302.12256	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1454
Annotation	Enterodiol
Peak:m/z	Relative Intensity
50.46741	1.3
54.23155	1.3
57.03342	2.6
59.01269	11.8
60.32592	1.4
61.98703	6.8
66.77910	1.4
71.01263	2.4
71.39015	1.3
71.55709	2.3
80.02560	1.5
80.79281	1.4
83.04910	1.5
85.02834	4.3
91.05448	2.2
93.03376	12.2
95.04895	3.0
98.21980	1.3
101.31611	1.3
105.07028	1.6
106.04139	6.0
107.04932	18.3
108.02090	16.3
109.02872	18.7
109.06499	4.0
111.04436	2.0
119.04922	8.7
120.86018	1.6
121.02846	2.5
121.06483	5.1
122.03632	3.8
123.00795	5.6
123.04431	7.7
123.08045	2.0
130.04192	1.7
130.46751	1.4
130.94005	1.6
131.04988	8.9
132.05731	10.7
133.06520	52.9
133.61974	1.6
134.03622	3.2
135.04451	26.0
137.06023	2.7
138.03133	6.7
145.02834	1.4
145.06494	2.0
147.03299	1.7
147.04477	4.2
147.08098	16.0
148.05220	5.6
149.06023	100.0
150.06413	2.8
151.00333	2.1
151.07597	22.0
153.05501	2.5
159.08096	6.1
165.01878	3.5
165.09161	11.4
175.07584	3.4
175.63321	1.6
177.09120	6.5
183.13892	18.7
193.08699	11.1
195.10161	1.7
211.07730	2.0
223.07654	6.1
224.08420	11.1
225.08942	2.0
227.07129	1.6
229.08757	2.8
235.11327	2.1
242.09473	2.7
253.12442	11.8
259.09818	3.7
260.10422	4.9
265.12424	18.3
271.02350	1.7
271.13431	4.4
283.13467	26.1
284.13812	2.3
301.03702	3.2
301.07153	5.3
301.14450	92.5
301.16840	5.4
302.15048	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	301.0725
Annotation	CHEBI:70630
Peak:m/z	Relative Intensity
50.60155	0.6
59.01263	4.3
61.98714	6.9
70.27020	2.6
75.36341	0.5
76.07702	0.6
96.95918	0.7
98.19840	0.7
105.42764	0.6
111.30994	0.6
121.02844	1.1
123.00759	3.6
138.03122	0.9
138.05507	0.7
140.07045	0.7
145.02823	1.2
147.03410	0.7
149.02335	0.7
151.00290	0.9
163.03963	1.0
165.12714	1.2
173.02347	1.3
175.03996	0.6
183.13864	6.3
185.05983	0.9
186.06703	1.1
189.01842	2.1
189.05553	10.9
190.02669	0.6
190.06317	4.7
191.03490	1.3
197.06082	0.9
201.05527	2.4
203.03523	4.3
204.04234	2.3
212.04730	5.5
213.05551	6.4
214.06339	2.9
217.05055	45.1
218.05527	2.7
219.97734	2.7
225.05594	0.7
229.05029	3.0
230.05806	1.5
231.02972	0.9
232.03831	4.2
242.05862	1.6
245.04649	1.4
245.08313	1.2
255.19926	0.6
271.05991	1.3
273.07739	100.0
274.08038	7.5
301.07239	93.8
301.17059	6.1
302.07587	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	301.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05978	1.0
51.03337	1.0
55.37900	0.9
56.27358	0.8
58.12297	0.8
59.01261	5.8
61.98714	6.0
65.00198	0.8
69.27641	4.0
69.28066	5.9
77.16974	0.9
78.40708	0.8
82.69746	1.0
95.01275	4.9
107.01244	0.9
109.02833	1.1
119.82555	1.0
121.02879	1.9
123.00799	77.8
124.01112	2.1
134.10860	0.9
135.00720	1.1
138.03159	99.1
139.03482	3.7
140.07152	1.5
143.04892	1.8
145.02838	1.2
147.00801	1.5
147.03304	1.0
148.01598	30.7
151.00174	1.1
153.05515	100.0
153.55952	0.9
154.05838	3.2
155.04944	1.1
159.04451	3.1
164.01073	1.1
171.04451	3.8
175.03966	1.6
183.04475	1.2
183.13882	11.4
184.14156	0.9
185.02397	1.2
187.03929	4.1
192.90799	0.9
198.03201	1.4
199.03993	6.4
211.04073	1.8
213.01836	0.9
214.02536	2.0
215.03574	7.9
219.97812	1.9
225.05537	1.0
226.02663	4.7
227.03441	7.2
241.05124	1.3
242.02051	1.6
242.05634	1.5
243.03049	14.1
254.02151	2.9
255.03027	4.7
256.03482	1.1
258.05252	1.1
266.61816	0.9
269.04608	5.0
270.01407	1.0
270.05072	1.8
271.02545	55.0
271.05460	3.5
272.02869	4.0
273.07639	2.7
286.04837	31.8
287.05200	2.7
301.03564	1.8
301.07135	23.1
301.10266	1.8
301.17090	6.2
302.07614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00231	0.6
51.96856	0.2
58.00465	0.3
59.01259	2.1
68.01305	2.5
71.01266	1.0
71.06983	0.6
72.69946	0.2
72.99184	0.4
84.52444	0.2
86.46976	0.2
88.03923	1.3
93.50244	0.2
95.04929	0.4
96.04454	0.3
97.02792	0.3
109.01607	0.2
110.02423	0.2
110.06033	0.4
115.00249	0.5
117.03343	0.5
118.03698	0.2
121.02847	0.3
122.02404	0.8
122.06052	0.3
123.03179	6.2
123.04459	0.3
124.07600	0.8
132.02962	2.8
136.07591	0.7
137.04715	1.1
138.05533	100.0
139.05896	2.8
145.02867	1.7
146.03229	1.2
149.02367	0.4
150.05496	0.3
152.03477	0.3
152.07120	1.6
166.05064	0.4
166.08675	0.5
167.05861	2.3
168.06619	0.6
180.06616	5.1
181.06961	0.4
210.07695	0.2
250.07231	0.3
300.10950	17.5
300.16565	3.9
301.11221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0361
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
52.46308	0.4
57.44881	0.4
59.01262	8.4
62.86464	0.4
63.02281	7.2
65.00207	11.4
65.40639	0.4
66.41132	0.4
71.04428	0.4
71.04761	0.9
73.02834	1.3
83.01276	7.4
83.89002	0.4
91.09047	0.3
93.03365	3.0
105.07282	0.4
107.01292	21.2
109.02870	2.3
121.02866	18.2
122.03236	0.9
123.00788	0.6
124.01576	0.4
125.02376	1.3
136.07565	0.5
139.03903	1.9
145.02879	0.7
147.04536	0.6
149.02393	2.6
151.00304	61.9
152.00693	1.3
159.04443	0.8
161.02415	1.4
163.00317	1.5
163.03937	0.7
164.01100	1.4
169.01370	3.9
175.03970	0.7
178.99817	19.8
180.00134	0.7
183.04431	0.6
183.13879	4.1
185.06030	0.6
187.03986	1.2
189.01952	0.7
189.05716	0.4
192.00658	0.9
193.01373	1.5
198.36040	0.4
199.03847	0.5
201.05626	1.1
205.05055	0.9
211.04030	1.2
215.03586	0.9
225.14992	1.1
227.03545	1.1
227.12904	2.6
229.05110	2.0
230.05457	0.4
231.02869	0.4
243.03029	0.7
245.04553	1.8
255.03011	1.0
257.04620	0.9
257.12967	2.0
263.23959	0.4
271.02490	0.5
273.04102	3.0
283.15549	1.7
284.03214	0.4
299.02106	0.8
301.03589	100.0
301.16687	3.8
301.20154	0.7
302.03918	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	300.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59794	0.1
59.01262	0.8
68.01302	0.5
69.63511	1.1
71.01280	0.3
72.99201	0.2
89.02335	0.2
95.04916	0.3
98.20597	0.3
109.02323	0.2
117.03414	0.2
122.02419	0.5
123.03181	10.3
124.07603	0.3
137.04762	0.9
138.05539	100.0
139.05878	2.9
145.02881	1.1
146.03224	0.7
152.07111	0.6
160.05174	0.1
165.04253	0.6
167.05785	0.6
168.06552	0.1
180.06653	2.2
210.07652	0.2
242.12157	0.2
300.10959	8.4
300.16702	2.8
301.11255	0.6
301.17285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0932
Annotation	Stemofuran N
Peak:m/z	Relative Intensity
55.62655	0.4
59.01260	3.1
61.98696	0.4
69.32973	0.9
69.33380	2.3
72.99176	0.4
100.03963	0.5
109.12624	0.3
109.21490	0.3
109.99991	2.8
117.03362	2.5
119.04946	1.6
121.02872	0.9
123.00776	0.7
136.18785	0.4
138.05516	0.6
145.02882	16.2
146.03281	0.4
148.01604	0.4
151.11137	0.3
157.02840	0.4
157.06511	1.3
158.03658	4.0
159.04370	1.0
161.02333	0.5
162.03133	0.7
167.05005	0.6
169.06522	2.2
169.08620	0.5
170.03731	0.4
171.04453	1.4
173.02351	0.4
174.03151	1.4
181.12428	0.4
182.03638	0.6
183.04460	2.2
184.05171	0.7
185.02426	0.8
185.06052	9.8
186.06464	0.5
187.03911	0.7
188.04710	0.8
195.04504	1.2
197.02690	1.2
197.06053	0.9
198.03241	1.2
199.04036	1.9
200.04721	0.5
210.03189	0.6
211.03961	4.0
212.04753	7.8
213.02194	0.6
213.05548	13.0
214.02654	0.8
214.06079	1.0
217.00214	1.2
224.04791	0.7
225.05525	0.8
227.03500	6.7
227.07034	0.4
228.04179	1.3
230.02441	0.4
239.03467	1.4
240.04291	1.5
241.05081	15.1
242.05417	1.1
255.03038	9.5
255.06006	0.5
255.06699	0.4
256.03793	100.0
257.04135	7.4
266.02286	0.5
269.04596	84.5
270.04919	5.3
271.02734	1.5
271.06165	20.2
272.06528	1.6
283.02527	0.9
284.03305	28.5
284.06918	34.7
285.03644	2.6
285.07248	2.2
299.05627	63.9
299.09274	36.1
299.13037	3.8
299.16440	25.7
299.25836	0.7
300.05951	6.4
300.09647	3.0
300.16739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01266	28.1
62.98182	0.6
68.24441	0.6
69.31882	2.0
69.32312	4.3
72.16005	0.6
75.00744	0.6
83.04903	0.6
93.03362	0.9
93.41424	0.6
95.01285	3.3
100.44820	0.7
108.02117	0.8
109.02863	1.2
111.08070	0.6
113.23181	0.5
117.03375	10.1
119.01325	0.6
119.04929	2.1
121.02894	3.8
123.00813	8.6
123.04406	1.7
125.09592	2.0
133.02881	3.5
137.02330	1.1
138.05528	3.4
143.04948	1.0
145.02888	61.2
146.03220	2.1
147.04469	1.0
148.01498	0.7
151.00294	0.8
157.02907	5.7
158.03598	0.7
162.03133	1.9
163.03905	1.6
169.02887	1.8
169.06483	1.7
171.04494	2.9
173.02327	0.8
173.05910	0.6
174.64288	0.6
174.99226	8.6
183.04384	1.4
185.02417	4.9
185.05984	2.2
186.02930	0.5
195.04594	0.8
195.26192	0.6
196.05336	0.7
197.02420	4.2
197.06068	3.3
198.03061	0.7
199.03986	3.7
201.02080	0.6
201.05548	1.6
207.08147	10.9
208.08499	0.6
211.03969	3.1
212.04736	2.8
213.01938	21.3
213.05432	6.7
214.02390	2.4
217.00302	32.5
218.00627	1.5
223.04028	0.8
224.04909	1.1
225.01918	1.1
225.05515	4.2
225.09267	0.6
226.02837	3.9
227.03491	2.3
235.07657	4.9
237.05620	1.9
238.06400	2.1
239.03383	0.9
240.04182	1.2
241.01414	30.3
241.05057	14.7
242.01968	3.6
243.03000	0.8
245.11984	0.8
249.15054	1.0
251.03482	0.9
251.07103	1.6
252.07849	2.4
253.08711	9.7
254.02170	2.5
255.02934	2.6
256.03717	2.2
268.03766	0.8
269.00949	79.2
269.04550	84.9
270.01498	10.5
270.04861	5.4
271.02573	6.8
271.09830	11.3
272.03049	0.8
272.10135	1.8
281.17572	1.0
284.03299	18.4
284.06915	39.9
285.03946	6.0
285.07333	2.4
299.02036	11.0
299.05624	41.9
299.09277	50.3
299.16537	100.0
299.25598	3.5
300.02652	0.9
300.06085	5.0
300.09637	3.5
300.16919	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	299.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	2.0
61.10283	0.4
70.17352	1.3
81.23741	0.4
93.15860	0.4
104.37372	0.4
117.03372	1.5
119.04947	0.8
123.41176	0.4
145.02888	12.4
163.63223	0.4
172.01685	0.5
182.03719	0.5
198.03188	2.4
217.00365	2.0
223.63855	0.4
226.02727	16.7
226.11772	0.4
227.03026	1.2
241.05144	2.5
254.02243	100.0
255.02545	6.5
269.04611	94.4
270.04987	7.9
284.06961	53.8
285.07300	3.8
299.09311	45.7
299.16556	22.1
299.20074	0.8
300.09653	3.3
300.16995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17037	0.9
55.04574	1.0
55.72240	1.2
59.01254	4.8
71.44044	2.3
76.75915	1.2
82.37344	1.1
93.03355	11.7
117.03360	14.8
119.04940	2.7
121.02882	2.8
121.44878	1.1
123.04396	1.4
137.02370	16.5
137.96037	1.1
145.02890	71.6
146.03177	2.9
163.03961	1.9
242.86031	1.2
284.02927	1.4
299.16592	100.0
299.25949	2.5
300.16916	6.0
303.58813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.5
60.35340	0.2
64.61392	0.2
65.93010	0.2
67.76727	0.2
69.83183	0.9
69.83593	0.5
74.89452	0.3
81.78253	0.2
82.05101	0.2
83.34766	0.2
95.01286	3.3
109.02900	0.6
117.03391	0.8
119.01354	0.3
120.69276	0.3
121.02889	0.4
123.00803	7.7
123.04412	0.2
133.02888	5.4
135.04472	0.4
143.04965	0.5
145.02887	7.2
145.06497	0.3
147.00816	0.6
157.99667	0.2
159.04301	0.2
160.01678	0.3
167.04990	0.5
169.06578	1.9
171.04454	0.9
175.03937	0.4
180.05650	0.3
181.06520	0.4
183.04456	0.8
185.06071	2.3
195.04506	1.0
196.05251	0.4
197.06075	3.5
198.03294	0.5
199.03957	1.8
201.05591	1.3
207.04352	0.3
210.03410	0.2
211.04008	0.8
212.04813	0.6
213.05569	7.3
214.05965	0.5
217.00349	1.6
223.04002	0.7
224.04715	0.8
225.05603	3.4
226.02760	0.9
227.03481	0.9
240.04279	0.7
240.07913	0.4
241.05098	13.6
242.05415	1.1
251.03569	0.6
253.05132	0.4
254.02271	1.4
256.07556	0.3
268.03830	1.1
269.04614	100.0
270.04968	6.6
283.06100	0.9
284.06970	50.3
285.07327	4.1
299.09302	43.7
299.16461	5.3
300.09644	3.9
303.22769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47670	0.5
53.01136	0.5
53.95158	0.5
55.37049	0.5
56.08382	0.6
56.34555	0.5
59.01265	2.5
63.47045	0.5
64.04845	0.5
65.00210	0.5
69.31060	2.0
69.31488	3.7
85.26078	0.7
100.03934	1.6
103.75657	0.5
108.02037	0.6
117.03384	6.5
119.04939	1.9
121.02895	1.4
123.04445	0.7
133.02904	1.4
137.02342	0.7
138.05556	1.2
145.02888	34.7
145.71107	0.5
146.03442	0.6
154.15652	0.5
159.04485	1.3
162.03197	0.9
163.03934	1.6
169.02899	0.8
170.03702	4.1
171.04477	2.8
172.05203	0.7
173.02397	6.7
175.03929	0.6
183.04514	1.9
184.05273	1.0
185.02405	0.9
187.03998	1.3
188.04726	1.7
195.04526	3.2
196.05301	0.6
197.02419	0.9
199.03993	5.8
200.04617	2.0
201.02051	0.8
211.03978	4.3
212.04778	7.4
213.01915	0.9
213.05481	1.3
214.02744	4.3
215.03421	1.0
217.00346	0.8
223.04050	1.1
226.02786	0.6
227.03513	13.7
227.07220	1.5
228.04317	3.9
229.05060	2.0
230.05693	0.5
238.02713	0.8
239.03535	4.4
240.04279	1.8
241.01428	1.0
241.05128	1.6
243.03023	0.8
246.01735	0.7
255.03065	4.1
255.06583	0.7
256.03812	91.2
257.04163	5.2
260.03336	1.7
263.12848	0.9
267.03018	0.6
269.01608	1.0
269.04590	11.5
270.05084	1.0
271.02713	5.1
271.06174	68.7
272.06445	3.7
283.02625	2.5
284.03772	0.9
284.07010	5.9
299.02231	7.9
299.05673	100.0
299.09204	7.1
299.16565	50.1
299.25900	1.2
300.06015	5.8
300.09216	0.8
300.16992	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	299.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70995	0.4
56.48108	0.3
59.01258	3.3
59.92674	0.3
61.98725	0.5
69.35947	3.9
75.66272	0.4
93.03328	0.6
93.77051	0.4
102.78141	0.4
107.81712	0.4
110.00017	2.9
117.03381	2.1
119.04960	1.0
119.49986	0.4
121.02881	1.1
145.02887	14.0
148.01588	0.5
157.06569	0.5
158.03661	4.3
159.04572	0.7
169.06532	1.4
169.08638	0.9
171.04185	0.5
174.03198	0.8
181.12134	0.4
183.04437	1.4
184.05186	0.8
185.06036	5.9
186.03177	0.5
187.03972	0.8
188.04849	0.5
195.04448	1.0
197.02705	0.7
197.05977	0.7
199.03955	1.4
200.04776	0.6
210.03291	0.6
211.03983	3.5
212.04773	6.0
213.05560	7.9
214.02647	0.8
215.03342	0.4
217.00249	1.2
225.05791	0.4
227.03473	6.1
228.04137	1.7
239.03401	1.0
240.04250	1.1
241.05084	10.1
255.03046	8.6
256.03806	100.0
257.04135	5.6
266.02414	0.7
269.04602	55.1
270.04926	2.9
271.03204	0.6
271.06177	19.4
272.06500	1.2
283.02615	1.2
284.03326	26.4
284.06931	21.8
285.03711	2.2
285.07233	1.1
299.05643	59.9
299.09286	24.9
299.13068	2.5
299.16367	22.0
299.25900	1.1
300.02765	0.8
300.06030	3.3
300.09775	1.2
300.16855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34618	0.3
57.21305	0.3
57.54823	0.3
59.01265	4.2
65.00232	0.3
70.66917	0.7
70.67277	0.6
75.63947	0.3
83.01286	0.3
83.31090	0.3
91.01779	0.6
102.22610	0.3
107.01281	1.0
117.03361	3.2
119.04920	1.1
121.02847	1.1
123.04404	0.4
133.02852	0.3
135.00772	1.6
136.01549	0.3
145.02887	18.9
146.03317	0.3
148.01590	5.8
150.03169	0.7
151.00302	1.3
153.01849	0.7
156.04442	0.3
158.03641	0.9
163.03926	0.7
167.08649	0.3
170.03685	0.6
172.05266	0.5
174.99133	0.6
176.01083	1.0
179.12527	0.3
183.04453	1.4
184.05247	1.0
188.04691	0.5
195.04474	0.6
196.05246	0.4
198.03120	0.3
199.03947	1.9
200.04788	2.3
208.07297	0.3
211.04044	3.9
211.07574	0.4
212.04774	2.6
214.02708	0.7
217.00311	3.3
223.03983	1.0
227.03508	10.3
228.04141	1.6
239.03506	3.3
240.04271	1.3
241.01306	0.4
242.02232	0.7
255.03046	8.3
255.05721	0.3
256.03778	8.0
257.04111	0.4
257.71066	0.3
267.03082	1.7
269.01086	0.7
269.04361	1.1
271.02414	0.7
271.22733	0.3
283.02509	6.6
283.05524	0.4
284.03311	100.0
285.03699	6.4
299.05661	93.6
299.16565	29.7
299.25934	0.9
300.06073	6.0
300.16858	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.6
65.00209	0.6
69.33946	1.5
69.34386	2.2
69.65803	0.3
91.01732	0.6
100.03936	0.7
107.01244	0.8
117.03368	4.7
119.04932	2.1
121.02850	1.5
131.80902	0.4
134.03638	0.6
135.00771	1.6
138.05507	0.8
145.02888	25.0
146.03127	0.5
147.00757	0.5
148.01605	5.4
149.02318	0.5
149.05971	1.4
149.23143	0.4
150.03082	0.7
151.00278	1.1
153.01898	0.5
158.03629	1.0
162.03093	0.4
163.03941	0.8
170.03697	0.4
172.05200	0.6
174.99164	1.1
176.01079	1.1
176.07082	0.4
183.04439	1.3
195.04469	1.2
199.03961	1.6
200.04791	1.7
211.03976	2.6
212.04790	2.4
214.02673	0.4
217.00314	4.3
223.04034	1.3
227.03493	9.3
228.04190	1.8
239.03516	3.7
240.04182	1.6
242.02187	0.6
255.03062	7.6
256.03787	6.4
257.04129	0.5
267.03104	1.9
269.04712	1.8
283.02542	6.6
283.05579	0.8
284.03320	96.8
285.03644	5.9
298.24646	0.6
299.05673	100.0
299.16568	46.0
299.25894	1.3
300.06006	6.0
300.16891	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	297.1198
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01765	2.0
57.03333	1.2
58.00467	4.4
59.01264	100.0
60.01603	1.3
67.91826	0.6
69.03329	0.9
69.96796	3.2
71.01269	64.5
72.01597	1.2
72.99187	3.9
73.02840	7.0
75.00769	1.6
78.95783	1.7
79.55475	0.6
79.56124	0.6
81.03340	1.4
83.01275	3.3
85.02843	17.6
85.13413	0.7
87.00786	4.1
88.03944	1.2
89.02337	81.8
90.02692	1.4
95.01279	4.6
96.95911	0.7
97.02845	1.1
99.00790	2.3
99.21334	0.6
101.02346	45.2
102.02707	0.8
103.03906	1.7
105.01852	1.8
113.02357	26.3
114.02701	1.3
115.03947	1.0
117.05495	1.3
119.03415	33.0
131.03453	3.9
135.04430	1.1
135.06563	27.6
137.05922	0.6
143.03430	6.7
149.04440	2.1
159.02948	1.8
161.04494	18.8
171.30431	0.6
179.05565	23.9
180.05812	0.6
191.07050	0.8
207.05078	0.8
209.08212	1.0
236.06506	0.6
237.09837	2.9
242.24434	0.6
297.08524	3.7
297.11942	74.1
298.06674	1.4
298.12122	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	297.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
55.63618	0.5
57.03329	1.4
58.00483	2.4
59.01264	84.4
60.01592	1.1
64.52753	0.5
70.43483	0.5
70.51124	1.7
71.01270	45.8
71.63673	0.4
71.99046	0.4
72.01616	0.6
72.99197	1.9
73.02834	5.9
75.00746	0.7
76.34204	0.4
81.03386	0.6
83.00906	0.4
83.01288	3.3
85.02847	12.8
87.00789	2.8
89.02338	63.0
90.02698	0.8
95.01295	2.6
97.02831	0.7
99.00771	2.0
101.02349	31.8
103.03905	0.9
109.53403	0.5
113.02357	22.3
114.42030	0.4
119.03419	33.4
120.03762	0.8
125.02381	1.4
131.03435	5.1
135.06558	28.9
143.03430	10.0
149.04495	3.7
159.02928	2.3
161.04506	28.5
162.04858	1.2
179.05574	36.0
180.05841	0.7
237.09836	7.4
241.60912	0.4
297.11966	100.0
298.12173	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	297.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.9
56.87628	0.7
57.03334	1.5
58.00479	3.7
58.07721	0.6
59.01264	100.0
60.01580	1.3
71.01270	62.0
71.23896	1.2
72.01601	1.0
72.99180	5.7
73.02831	8.3
75.00761	3.4
78.45257	0.7
81.03352	1.6
83.01262	4.3
85.02840	19.6
86.03169	0.7
87.00789	4.4
89.02335	72.2
90.02702	0.7
95.01293	4.6
97.02896	0.7
99.00764	2.1
101.02346	41.8
102.02692	0.8
103.03910	1.4
105.01835	2.4
113.02357	27.1
116.33823	0.6
117.01811	0.9
117.05486	2.2
119.03411	29.8
120.03673	0.7
121.40547	0.8
125.02323	1.1
129.31769	0.7
131.03410	3.0
135.04420	2.4
135.06563	30.2
136.06853	0.9
143.03423	5.5
147.97380	0.7
149.04448	1.9
159.02971	1.6
161.04501	18.5
177.85774	0.7
179.05574	21.6
237.09879	4.1
297.08499	5.2
297.11935	74.0
297.24350	4.7
298.12238	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	297.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81520	0.2
50.89548	0.2
57.15861	0.2
59.01264	5.6
71.01267	1.2
71.04885	0.2
71.24094	0.4
73.02838	0.2
81.32843	0.1
85.02844	0.4
89.02354	0.8
91.05445	0.5
95.01279	0.2
101.02343	1.0
103.05393	0.2
105.03369	0.5
105.85780	0.2
108.02082	0.5
113.02338	0.5
119.03445	0.5
119.04951	0.4
121.02876	0.6
122.03646	1.1
130.04112	0.2
130.75822	0.2
131.04939	0.3
135.04503	0.2
135.06577	0.3
135.34102	0.2
145.02911	0.2
147.04456	5.9
148.05240	12.1
149.06018	100.0
150.06355	3.7
150.47395	0.2
161.04523	0.6
164.04701	0.3
179.05542	0.4
199.95448	0.2
237.09822	1.4
282.05429	0.2
297.11530	4.3
297.15005	0.3
297.21146	0.3
297.24445	1.3
298.11865	0.4
298.14999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	7.9
61.98708	0.2
65.52188	0.2
67.74068	0.2
71.01276	1.5
71.60368	0.4
73.02811	0.2
76.74319	0.2
78.66335	0.2
81.03374	0.3
85.02834	0.7
89.02338	1.2
91.01795	0.4
101.02342	1.0
108.02077	1.3
109.02859	34.0
110.03191	0.9
113.02357	0.6
117.03344	0.3
119.03397	0.3
119.04958	0.6
121.02884	1.1
122.03661	0.4
123.04433	0.7
131.04926	0.3
133.02876	0.5
133.06517	0.3
134.03680	0.2
135.04437	5.9
135.06552	0.4
145.02878	1.0
146.03653	2.1
147.04446	4.7
148.05231	3.0
149.06006	5.1
150.06401	0.3
157.06616	0.2
158.03683	0.4
159.04457	6.5
159.08099	0.3
160.05136	0.6
161.04503	0.8
161.05991	4.6
167.04924	0.3
169.06561	0.4
172.05238	1.9
173.06018	3.2
175.07634	2.4
185.06081	1.6
186.06834	0.2
187.07620	8.6
188.08240	0.7
211.03996	0.5
211.07599	0.3
219.48271	0.2
224.04684	0.3
225.05510	0.5
225.09177	0.3
226.06418	0.4
227.03551	0.4
227.07176	0.2
237.05525	0.8
237.09763	2.0
239.03511	1.9
239.07155	0.8
240.04292	0.7
241.05029	1.6
249.05672	0.5
250.06422	0.3
251.07129	0.7
252.07889	0.3
253.05070	3.5
254.05827	2.4
255.06662	1.6
256.07458	0.6
263.07129	0.3
266.05823	0.4
267.03064	3.1
267.06671	9.0
268.03842	0.3
268.07291	1.5
269.08243	2.8
270.08591	0.3
279.23257	0.3
280.10822	0.2
281.08304	1.8
282.02386	0.4
282.05392	1.7
282.08945	0.8
295.09964	0.3
297.11368	100.0
297.24210	2.2
298.08307	0.5
298.11691	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	7.9
61.98708	0.2
65.52188	0.2
67.74068	0.2
71.01276	1.5
71.60368	0.4
73.02811	0.2
76.74319	0.2
78.66335	0.2
81.03374	0.3
85.02834	0.7
89.02338	1.2
91.01795	0.4
101.02342	1.0
108.02077	1.3
109.02859	34.0
110.03191	0.9
113.02357	0.6
117.03344	0.3
119.03397	0.3
119.04958	0.6
121.02884	1.1
122.03661	0.4
123.04433	0.7
131.04926	0.3
133.02876	0.5
133.06517	0.3
134.03680	0.2
135.04437	5.9
135.06552	0.4
145.02878	1.0
146.03653	2.1
147.04446	4.7
148.05231	3.0
149.06006	5.1
150.06401	0.3
157.06616	0.2
158.03683	0.4
159.04457	6.5
159.08099	0.3
160.05136	0.6
161.04503	0.8
161.05991	4.6
167.04924	0.3
169.06561	0.4
172.05238	1.9
173.06018	3.2
175.07634	2.4
185.06081	1.6
186.06834	0.2
187.07620	8.6
188.08240	0.7
211.03996	0.5
211.07599	0.3
219.48271	0.2
224.04684	0.3
225.05510	0.5
225.09177	0.3
226.06418	0.4
227.03551	0.4
227.07176	0.2
237.05525	0.8
237.09763	2.0
239.03511	1.9
239.07155	0.8
240.04292	0.7
241.05029	1.6
249.05672	0.5
250.06422	0.3
251.07129	0.7
252.07889	0.3
253.05070	3.5
254.05827	2.4
255.06662	1.6
256.07458	0.6
263.07129	0.3
266.05823	0.4
267.03064	3.1
267.06671	9.0
268.03842	0.3
268.07291	1.5
269.08243	2.8
270.08591	0.3
279.23257	0.3
280.10822	0.2
281.08304	1.8
282.02386	0.4
282.05392	1.7
282.08945	0.8
295.09964	0.3
297.11368	100.0
297.24210	2.2
298.08307	0.5
298.11691	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83497	0.1
59.01262	5.6
62.90801	0.1
70.23124	0.1
71.01272	1.0
73.02820	0.3
80.53497	0.2
83.01287	0.2
83.02892	0.2
85.02821	0.3
89.02337	1.0
91.05429	0.3
93.03361	0.2
95.04949	0.2
100.17232	0.2
101.02329	1.2
103.05434	0.3
105.03355	0.6
106.62302	0.2
108.02100	0.5
113.02348	0.6
119.03401	0.4
119.04911	0.7
121.02845	0.5
122.03627	0.8
123.07954	0.1
124.01540	0.2
128.79082	0.1
131.04932	0.3
134.03612	0.2
135.04453	0.2
135.06522	0.4
137.02364	0.2
147.04459	6.9
148.05235	10.9
149.06015	100.0
150.06366	3.2
154.02736	0.1
161.04521	0.5
179.05585	0.3
237.09789	1.4
271.75079	0.2
275.72491	0.2
297.04214	0.3
297.11414	3.6
297.24371	1.5
298.11758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.1
61.98694	0.5
71.01273	3.7
71.17551	1.1
73.02852	0.7
79.93047	0.4
85.02848	1.6
89.02335	2.9
101.02347	3.3
113.02340	1.2
119.03422	1.4
135.06506	1.2
149.06079	0.9
159.04362	0.5
161.04486	1.0
163.99388	0.6
179.05600	0.8
185.05989	0.8
191.03488	1.5
197.06041	0.7
209.06142	0.7
211.03951	1.1
212.04771	2.2
213.05554	3.5
214.05672	0.4
223.07526	0.6
224.04816	2.5
225.05592	0.9
225.09111	0.5
227.03537	2.3
227.07115	1.4
235.07623	0.7
236.05064	0.5
237.05653	0.8
237.09694	3.3
238.06416	0.6
239.03473	1.8
239.07106	1.1
240.04306	12.2
241.05086	34.3
242.05460	2.0
248.04913	0.6
249.05611	1.8
250.06296	0.7
251.07259	1.3
251.10895	0.9
253.05125	1.2
253.08656	0.9
253.11710	0.4
254.05856	1.4
255.06653	13.6
256.07440	29.1
257.07828	1.6
263.07266	1.2
264.04117	0.6
264.07928	3.4
265.05988	0.4
265.08606	2.3
267.03757	0.6
267.06671	4.9
268.07303	0.9
269.08112	0.7
278.09583	0.7
279.10379	1.4
280.11044	3.6
281.08188	1.5
282.01785	1.3
282.05194	0.6
296.10687	0.7
297.11395	100.0
297.24341	5.0
298.11740	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	297.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	0.8
59.01264	15.8
62.86259	0.5
69.47365	0.5
71.01254	3.5
71.31879	0.8
71.32204	0.6
73.02837	1.2
75.02823	0.5
85.02810	1.1
89.02351	3.5
101.02327	3.0
108.02067	0.8
109.02866	1.2
113.02364	1.9
113.41037	0.5
117.03375	0.6
119.03411	1.2
125.29323	0.4
134.03674	0.6
135.04445	41.7
135.06580	1.5
136.04825	1.4
149.06023	2.6
159.04448	0.5
161.04472	1.5
171.04541	0.8
179.05556	0.6
183.04485	1.0
185.06171	0.6
187.03967	2.9
198.03197	0.9
199.03958	1.9
199.07640	3.0
200.08385	4.6
209.67680	0.5
211.07681	1.6
212.08524	0.6
213.05557	0.9
215.03487	5.7
215.06995	0.8
222.06924	0.8
227.03513	25.8
227.06938	4.8
228.03899	1.0
228.07835	3.5
229.05069	1.6
237.05569	1.7
237.09776	3.5
238.06357	2.0
239.07124	10.3
240.07877	1.2
241.05080	2.3
251.07159	2.5
253.12288	0.6
254.05779	0.7
255.06641	8.1
256.07440	100.0
257.07776	6.1
264.08038	0.6
267.06693	2.0
268.07431	3.4
269.07822	0.6
269.11896	3.9
276.49734	0.6
278.09512	0.6
279.10318	2.6
280.11029	0.8
297.11386	80.8
297.24301	4.3
298.11679	7.2
309.39261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03317	0.6
59.01260	7.4
69.03336	0.5
71.01257	1.3
71.09039	1.2
99.08071	0.8
125.09652	1.7
133.06490	0.5
139.11160	0.8
155.10684	1.2
155.80275	0.5
165.12779	1.1
171.10211	28.4
172.10526	1.6
183.10216	8.4
195.13795	0.8
227.90791	0.5
251.20259	0.7
277.21771	39.4
278.22116	3.5
295.22830	100.0
296.23178	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	297.0411
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
55.55700	0.2
57.01364	0.2
59.01266	3.8
70.37804	0.8
71.01263	0.5
73.02818	0.2
76.18465	0.2
79.10873	0.2
82.70721	0.2
89.02329	0.5
101.02340	0.6
113.02373	0.3
113.45451	0.2
119.03408	0.2
119.42583	0.2
161.04439	0.4
182.03639	0.3
198.03207	0.2
210.03130	0.2
225.01828	0.3
226.02821	1.3
237.09763	0.5
238.02606	0.3
253.01456	3.4
254.02124	0.5
254.08229	0.2
281.00992	14.3
282.01755	100.0
283.02106	7.1
297.04105	42.0
297.24356	1.0
297.27475	0.2
298.04501	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	297.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47548	0.2
56.60687	0.2
57.03341	0.3
59.01267	9.6
59.58842	0.2
60.65467	0.2
61.98693	0.3
69.49986	2.1
71.01274	2.0
73.02833	0.5
83.01257	0.3
85.02847	0.7
89.02351	2.0
92.88310	0.2
95.01241	0.2
101.02354	1.6
104.74579	0.2
109.02867	0.3
113.02338	0.6
113.82130	0.2
114.83134	0.2
119.03433	0.5
135.04457	0.3
135.06570	0.7
136.90869	0.2
149.02362	0.3
149.05942	0.4
161.04506	1.3
170.03685	0.5
181.02983	0.4
194.03705	1.7
197.02609	0.2
198.03261	0.2
210.03218	5.9
211.03688	0.3
214.02629	0.4
226.02724	18.5
227.03075	0.8
237.09856	2.6
238.02696	1.8
239.03305	0.2
254.02245	37.8
254.55406	0.2
255.02596	2.0
282.01770	65.0
283.02121	5.3
296.19592	0.3
297.04111	100.0
297.24478	4.2
297.27866	0.4
298.04465	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	295.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	2.5
59.01265	100.0
71.01273	48.0
72.99200	5.7
73.02827	3.8
75.00787	1.3
83.01262	3.2
85.02856	12.2
87.00786	4.1
89.02338	64.9
93.49545	1.3
95.01287	2.8
99.00764	2.4
101.02352	42.2
113.02359	19.9
119.03408	23.1
129.01871	1.8
133.04959	2.0
143.03403	3.1
161.04498	10.0
177.04001	2.1
182.46989	1.4
184.37550	1.4
203.23763	1.4
235.08229	4.2
295.10419	78.9
296.10834	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	295.2284
Annotation	(plusmn)13-HODE
Peak:m/z	Relative Intensity
59.01262	22.2
68.35260	0.6
69.43001	6.2
71.01257	2.8
71.52764	0.6
73.02835	1.1
85.00694	0.5
85.02813	0.7
87.00792	0.8
88.76235	0.5
101.02347	2.0
109.98482	0.7
113.02318	1.2
119.72231	0.7
133.04947	0.8
134.89410	0.6
161.04543	2.1
181.12419	0.6
195.13950	3.0
197.15472	2.7
207.13910	1.3
209.15321	0.6
224.29318	0.6
225.14963	35.7
226.15332	1.1
235.08247	1.6
277.21838	5.4
295.06195	1.0
295.22839	100.0
296.23199	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.68702	0.3
57.03316	0.7
58.98573	0.3
59.01261	7.0
63.46323	0.3
69.53291	2.3
71.01263	1.1
73.02813	0.3
79.22438	0.3
89.02314	0.3
97.06502	0.5
101.02367	0.7
105.01473	0.3
111.23961	0.3
113.02351	0.4
113.09639	2.2
125.09602	0.4
133.06564	0.4
149.05818	0.3
161.04501	0.6
167.16014	0.3
177.12810	0.7
179.14340	1.0
181.12288	0.5
195.13878	17.1
196.14186	0.9
225.24333	0.3
235.08202	0.4
251.23792	0.4
268.71930	0.3
277.21771	18.4
278.22113	1.7
295.22830	100.0
296.23187	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	295.2285
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01267	4.3
71.01282	0.7
71.33297	0.8
79.27346	0.4
83.04907	0.5
85.02812	0.4
85.29986	0.4
97.06482	0.4
98.95471	0.5
101.02389	0.6
109.06537	0.4
113.36664	0.4
127.11177	0.7
130.30527	0.4
133.06465	0.4
141.12779	9.0
155.14346	3.9
234.62358	0.4
235.08386	0.4
247.20493	0.6
249.22285	9.3
250.22717	0.8
277.21680	0.9
293.21368	0.7
295.22839	100.0
296.23175	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	294.1145
Annotation	Japonine
Peak:m/z	Relative Intensity
51.97564	0.6
52.20604	0.5
59.01265	12.0
61.17011	0.5
61.98713	3.6
65.99736	1.3
70.10860	2.5
71.01267	2.2
73.02823	0.8
74.06675	0.6
85.02841	1.0
89.02354	1.3
89.18283	0.6
93.03373	0.9
95.01283	1.3
96.95861	0.8
101.02341	1.7
121.02852	2.5
136.44415	0.6
145.02895	1.4
146.57747	0.6
147.04442	2.9
148.03914	0.7
148.07605	1.7
149.06010	3.3
149.21378	0.6
158.06050	12.7
161.04475	1.6
197.08432	3.5
198.06848	2.7
208.07651	2.7
209.08351	1.5
211.06349	7.9
224.07169	12.8
225.07822	2.6
229.07469	1.4
235.08180	1.5
252.06691	35.3
253.07437	19.7
254.07893	1.4
257.07019	1.7
279.08853	0.8
292.09808	0.8
294.11432	100.0
294.21536	1.7
295.12189	7.6
295.22672	0.7
312.45602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0976
Annotation	Calophyllin B
Peak:m/z	Relative Intensity
59.01268	32.8
61.98715	1.1
62.37431	0.7
63.56708	0.8
71.01270	5.1
71.29267	1.8
73.02829	2.0
73.03919	0.7
81.03356	0.8
83.01280	1.0
84.39948	0.7
85.02853	3.0
87.00766	1.0
87.51569	0.8
89.02322	2.2
95.01337	0.8
95.04903	1.3
96.95870	1.1
100.59467	0.7
101.02351	3.4
105.03405	1.0
109.02856	1.1
113.02362	1.3
133.06534	2.6
135.04445	1.4
139.06052	0.7
145.02986	1.3
145.05011	1.2
146.03662	1.9
147.04399	1.5
149.06032	4.2
150.60800	0.8
159.04478	1.1
161.04489	2.9
161.06046	0.9
173.06007	1.6
180.05783	1.1
183.04440	0.9
185.02403	1.0
189.05501	1.4
197.06024	5.6
198.06813	1.0
208.05222	6.1
209.06053	3.0
211.03978	2.4
212.04637	0.9
223.07655	1.5
224.04721	1.7
225.05576	14.0
226.06374	8.5
227.03526	9.6
233.05945	1.0
235.04134	0.9
235.08266	3.7
236.04794	27.8
237.05548	15.4
238.06068	1.5
239.03448	1.9
239.10793	4.1
249.05716	0.8
249.09276	4.5
251.07195	1.3
251.16615	1.9
252.07994	1.8
253.05118	26.3
254.05885	100.0
255.06200	9.3
259.09979	1.3
265.05203	4.5
267.06757	2.2
267.10315	19.3
268.10645	2.2
276.07971	1.5
277.08731	11.6
278.06094	0.9
278.09225	0.8
279.06616	4.9
280.07358	2.4
295.09818	89.4
295.19159	4.1
295.22632	1.4
296.10120	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03328	1.7
58.00477	3.0
59.01265	77.0
60.01638	1.2
69.99075	3.0
69.99467	2.5
71.01271	37.2
72.99207	2.5
73.02834	1.8
75.00777	2.2
83.01286	1.7
84.02100	1.1
85.02850	9.3
85.45303	1.3
87.00788	2.2
89.02337	38.7
95.01278	3.3
101.02345	23.4
111.94022	1.0
113.02353	14.0
115.00248	1.3
115.03941	4.5
119.03413	18.1
131.03386	2.1
133.04988	4.1
137.44400	0.9
141.25456	1.0
147.88260	1.2
157.75031	1.0
161.04507	3.5
179.05606	2.3
234.38045	1.2
235.08424	1.6
291.29514	1.1
295.10422	100.0
296.10669	4.4
317.27911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01250	7.2
59.80286	1.3
61.08784	1.5
69.15714	1.5
71.04897	5.5
71.38432	2.7
72.80170	1.5
72.93186	1.5
128.45441	1.5
178.09964	1.5
205.98561	1.3
209.15408	1.9
223.17023	5.4
231.21210	3.0
235.17067	44.5
236.17404	3.4
275.20212	49.6
276.20557	3.0
293.08997	2.8
293.21280	100.0
294.21756	8.2
303.25302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
58.75418	1.3
59.01272	9.1
71.01270	1.8
71.04910	4.6
71.33673	3.0
104.75778	1.3
137.08855	1.1
200.72476	1.1
209.15294	1.2
221.15556	2.0
231.21156	5.2
235.17064	74.7
236.17387	5.0
267.14743	1.3
275.20209	100.0
276.20499	7.1
293.21289	74.6
294.21619	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70082	0.4
53.92785	0.4
57.03324	1.7
59.01263	7.6
60.84512	0.4
61.98719	0.6
69.03333	1.2
71.01265	6.6
71.04880	0.5
71.51701	0.9
72.99178	0.4
73.02824	0.9
81.03342	0.6
83.01270	0.7
85.02838	3.5
87.00736	0.6
88.45230	0.4
89.02335	6.9
93.03355	0.4
96.95922	0.7
97.02839	1.2
97.06472	0.8
97.09245	0.4
101.02324	2.4
113.02368	1.0
117.03368	0.5
123.08102	0.9
125.02348	1.0
125.09639	4.7
131.03378	2.1
139.32756	0.5
141.12791	1.2
143.03406	0.9
149.04520	0.9
149.09662	1.7
161.04507	2.4
185.11784	10.5
186.12157	0.5
190.66208	0.5
197.11761	2.6
220.14742	2.1
221.15479	2.5
222.15810	0.6
233.10291	0.5
236.10454	2.5
249.22183	0.8
275.20129	0.7
293.08887	6.6
293.21286	100.0
294.21579	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53580	0.4
55.01762	0.6
58.00478	1.6
59.01266	43.4
69.35852	0.5
71.01272	18.7
71.36201	1.0
72.99196	1.5
73.02831	1.5
83.01270	1.2
85.02848	5.2
85.06484	17.1
87.00767	1.1
89.02337	16.8
95.01285	1.4
98.05910	0.5
101.02351	12.2
113.02364	5.9
113.05983	2.3
115.07568	1.9
119.03403	6.2
127.07559	1.5
131.07069	57.5
132.07373	2.0
161.04561	0.5
166.59651	0.5
173.08162	1.4
179.05615	0.7
199.00812	0.6
293.12500	100.0
294.12805	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39523	0.7
58.00459	1.1
59.00969	2.0
59.01263	31.8
71.01275	18.0
71.08652	2.1
72.99192	2.0
73.02838	1.9
83.01285	2.5
84.49599	0.8
85.02837	4.1
85.06484	12.4
89.02344	18.2
95.01272	1.3
101.02357	13.2
113.02350	6.5
113.05973	2.5
115.07543	1.1
119.03419	5.7
127.07571	1.0
131.03424	1.6
131.07066	52.5
132.07320	1.4
143.03424	1.0
148.06296	1.1
149.04533	1.0
173.08121	1.8
183.09573	0.8
231.86729	0.7
248.97450	0.8
293.12488	100.0
294.12863	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1766
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
50.74016	0.2
59.01255	0.6
60.07854	0.3
70.84352	0.8
71.01273	9.3
89.02325	0.4
89.34913	0.2
90.26170	0.2
92.57903	0.3
127.07574	0.5
148.05170	0.5
151.07564	0.6
164.08385	1.2
177.09184	4.9
190.09991	0.3
192.11540	6.4
193.12061	0.7
199.25609	0.3
205.12340	6.0
206.12680	0.5
207.13902	1.5
217.08630	0.5
218.09459	2.0
220.14688	48.7
221.15465	100.0
222.15807	7.0
235.13336	1.2
236.10556	73.2
237.10931	4.8
253.14597	0.3
293.08673	0.7
293.17679	13.3
293.21133	1.1
294.17914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06754	0.5
59.01262	6.2
71.01268	6.2
71.62543	0.8
72.99190	0.8
73.02808	0.6
79.95245	0.5
79.95655	2.1
83.01285	0.6
85.02849	2.2
89.02328	4.2
96.95917	100.0
97.02863	0.9
97.95865	0.6
101.02333	1.4
113.02380	1.4
125.02391	0.7
131.03426	1.4
143.03455	1.2
161.04501	2.8
220.14673	1.3
221.15462	2.9
236.10591	2.1
272.56409	0.5
293.09009	6.3
293.18024	74.4
293.21091	3.7
294.18317	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	293.2129
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.41634	0.9
59.01255	1.7
71.33537	2.2
88.11023	1.0
138.51161	1.0
150.11357	0.9
171.10176	1.3
179.14371	2.0
195.13889	13.4
196.14601	1.9
212.53059	1.2
223.13438	11.1
228.13753	1.5
249.93402	1.0
256.13217	3.1
256.52563	1.2
275.20163	6.2
293.21301	100.0
294.21576	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.7
59.01260	2.1
59.70366	0.5
63.80006	0.4
65.01693	0.4
67.10566	0.4
69.03347	1.0
70.77536	1.2
70.77913	0.6
71.01264	2.5
72.99186	0.7
78.47274	0.5
83.04887	1.0
85.02856	1.1
89.02337	1.9
95.04929	0.4
113.24907	0.4
125.09640	0.6
131.03484	0.6
133.96851	0.5
139.11214	3.3
149.04486	0.5
153.12779	2.3
161.04448	0.6
162.61517	0.4
167.14400	0.7
188.39819	0.5
191.18005	3.4
220.14676	0.7
221.15454	1.3
224.14175	1.3
229.19604	0.9
236.10612	1.0
245.19150	0.5
247.20686	3.0
255.89902	0.5
275.20181	0.8
293.08841	1.9
293.21283	100.0
294.09073	0.6
294.21613	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	293.0886
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.03335	3.3
58.00486	4.2
59.01265	64.3
62.29578	1.5
69.03345	5.4
71.01270	81.4
71.57465	2.2
72.99191	7.8
73.02835	15.5
81.03361	6.0
83.01263	9.7
85.02845	33.9
86.77654	1.4
87.00780	9.0
87.04391	1.4
89.02339	79.7
97.02866	12.5
97.41702	1.9
99.00815	2.4
99.04436	3.1
101.02353	18.6
103.03925	2.6
113.02360	12.8
115.03930	4.6
119.03407	4.7
120.84415	1.3
125.02360	10.2
131.03427	32.1
143.03439	16.9
149.04475	9.6
161.04509	40.6
161.05841	2.3
191.11044	1.7
203.05537	2.7
233.06706	4.1
237.33231	1.4
293.08865	100.0
293.21222	2.4
294.09146	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	292.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	0.5
59.01264	8.8
61.98718	0.6
68.02422	0.7
69.03333	0.4
71.01270	3.6
71.59789	0.6
73.02861	0.7
73.83941	0.4
78.61959	0.5
83.01269	0.6
85.02843	1.0
89.02325	2.8
90.50206	0.5
97.02828	0.6
101.02343	0.8
113.02388	0.6
126.84392	0.5
131.03445	1.0
143.03416	0.7
152.91730	0.7
156.13881	100.0
157.14221	4.7
161.04501	1.6
194.92737	0.8
200.12904	6.4
220.14705	3.1
221.15468	6.6
229.99771	0.5
233.10355	1.7
236.10538	4.8
250.88423	0.6
278.92630	0.5
292.16199	0.6
292.19513	1.5
293.08847	3.2
293.14288	0.6
293.17731	1.2
293.21295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.2
57.03337	1.5
58.00480	5.6
59.01264	91.0
60.01625	0.6
69.03340	5.9
69.45392	3.8
71.01270	100.0
72.01623	0.9
72.99203	4.7
73.02828	7.1
77.33494	0.4
81.03346	3.8
83.01281	5.5
85.02846	11.7
87.00780	3.3
89.02338	89.3
90.02672	1.3
95.01286	2.4
97.02859	7.3
99.00767	2.0
101.02345	14.2
107.01219	0.5
111.00793	3.2
113.02354	9.3
115.03936	0.8
119.03397	1.9
123.00781	0.4
125.02367	17.3
131.03427	10.4
143.03435	2.4
149.04498	8.4
149.34349	0.4
161.04457	0.5
191.05617	2.6
233.06628	1.8
293.04468	0.9
293.08594	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	293.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.3
57.03335	1.8
58.00488	4.0
59.01264	81.8
60.01605	0.7
64.28677	0.2
68.99740	0.2
69.03338	8.9
69.49917	0.6
69.50323	1.6
71.01270	100.0
72.01608	1.0
72.99199	4.5
73.02834	9.8
75.00757	0.6
75.59664	0.2
78.53374	0.2
79.01805	0.3
81.03351	5.4
83.01274	6.1
85.02841	13.4
87.00779	2.7
87.04463	0.2
89.02336	86.4
90.02671	1.0
95.01285	3.4
97.02853	10.5
98.19814	0.5
99.00774	2.7
101.02345	14.8
102.02664	0.4
103.03901	0.4
107.01283	0.3
111.00775	0.9
111.04391	0.4
113.02359	9.3
115.03883	0.5
119.03394	1.8
121.83157	0.3
123.00775	0.4
125.02364	24.0
126.02705	0.5
127.03881	0.5
128.01006	0.3
131.03424	10.8
132.03690	0.3
139.03937	0.7
142.66437	0.3
143.03432	3.8
144.08693	0.3
149.04491	6.9
161.04477	0.9
173.04465	0.6
190.85213	0.3
191.05582	3.6
215.05597	0.5
233.06670	3.8
247.66402	0.3
293.08789	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	291.1974
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01254	0.9
60.44511	0.2
71.01263	0.3
71.62823	0.3
73.02835	54.6
74.03171	1.1
81.19295	0.3
85.02847	0.3
92.16175	0.3
97.02838	0.3
121.02854	0.4
141.01740	0.2
148.49420	0.2
175.52646	0.2
209.04524	0.5
291.19724	100.0
292.20059	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02860	0.8
59.01263	8.2
61.98712	0.6
68.02415	0.8
69.85796	2.9
71.01268	3.3
72.99213	0.7
73.02834	0.7
74.81042	0.5
85.02824	1.2
85.98908	0.5
89.02341	3.0
97.02870	0.5
98.20454	1.0
101.02358	0.9
113.02399	0.5
125.02328	0.5
131.03474	0.9
151.44324	0.5
152.91713	0.6
156.13879	100.0
157.14206	4.7
161.04474	1.2
194.92789	1.2
200.12906	6.4
212.65540	0.5
217.07138	0.6
220.14670	2.7
221.15488	5.1
229.60069	0.5
232.87575	0.5
236.10593	2.9
249.18721	0.5
292.19742	1.7
293.08847	3.7
293.17615	1.4
293.21286	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	291.1974
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.07137	0.3
59.01266	1.9
61.98738	0.4
71.01271	0.4
71.62256	0.3
97.06506	0.4
112.12797	0.3
121.02871	1.3
125.06030	0.6
126.61060	0.3
141.09183	0.4
148.08867	1.2
149.09628	0.5
150.10422	0.7
151.11186	0.5
163.11206	0.9
165.12802	21.7
166.13138	1.0
175.11221	0.6
176.11998	0.7
177.12740	0.8
179.14354	0.6
191.14372	0.8
209.04570	1.1
217.16043	0.4
222.61902	0.4
247.20729	9.7
248.21109	0.9
273.18655	5.4
274.18942	0.7
289.18790	0.3
291.10760	2.2
291.19714	100.0
292.20074	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	289.0725
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
57.03326	3.9
59.01251	3.0
66.35368	1.1
69.03337	2.1
70.69218	2.8
78.36991	1.1
81.03342	6.0
83.01263	4.5
84.37305	1.1
85.02843	2.6
93.03357	2.9
95.01312	1.6
95.04932	7.3
97.02846	13.6
98.19967	1.1
108.02071	2.3
109.02860	47.3
113.06087	1.6
121.02848	7.0
122.03651	2.5
123.04436	37.5
124.04716	1.1
125.02367	28.0
135.04433	4.5
137.02382	17.8
138.03122	1.6
139.03947	7.0
145.02850	2.7
146.03671	2.9
149.02370	7.2
150.03119	3.2
151.03943	17.3
159.04410	5.2
160.05157	2.0
161.02357	2.9
161.06026	7.8
162.03185	2.0
163.03949	2.3
164.01094	5.6
165.01854	6.8
167.03407	2.7
173.06052	2.1
174.03212	1.1
175.03944	5.7
175.07585	4.0
179.03458	10.0
185.06044	1.9
187.03952	7.2
188.04785	6.6
201.05556	1.6
202.06294	4.7
203.07147	20.7
205.05045	13.3
212.04816	1.9
221.08157	7.0
227.07098	4.1
229.05202	1.6
230.05888	2.0
245.08234	32.0
247.06235	2.0
247.99619	1.4
289.07248	100.0
289.16501	2.1
290.07605	5.8
291.69632	1.2
312.25217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1974
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.23168	0.6
56.04165	0.6
59.01262	5.4
61.98713	0.8
71.01240	0.9
71.04907	32.0
71.59327	0.5
71.59801	0.8
76.77371	0.6
83.04916	1.1
85.02801	0.7
97.06487	9.0
111.08041	0.6
117.82601	0.7
121.02862	3.6
135.04471	0.7
159.53273	0.6
175.14809	0.9
181.12291	2.3
195.13841	0.7
205.26933	0.8
207.13902	3.3
209.04596	2.1
219.13916	3.5
235.17027	4.3
247.17046	0.8
247.20659	3.0
273.18866	1.6
291.19720	100.0
292.20078	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	287.1508
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
56.82312	0.6
57.03336	0.7
59.01265	90.6
60.59558	0.6
72.31823	0.9
99.04435	2.0
103.89096	0.8
125.02370	1.6
131.66043	0.9
147.11424	0.8
165.12808	1.6
167.10637	0.9
207.13913	2.1
209.11827	7.3
225.15018	6.3
226.06346	1.3
227.12894	47.2
228.13179	1.8
241.08658	1.1
251.12839	2.3
269.08243	8.6
269.13947	12.8
273.97379	0.8
287.15076	100.0
288.15363	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	287.2235
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03332	0.3
59.01267	1.5
61.98708	0.4
69.39906	0.5
69.40311	2.2
71.01263	0.4
75.97308	0.2
83.04936	0.3
87.79105	0.2
96.95953	0.3
97.06477	0.4
99.08080	1.5
104.30812	0.2
111.08039	0.3
118.86290	0.3
125.02378	0.9
129.09129	0.7
139.11241	0.3
141.12796	2.2
152.96443	0.3
155.14400	0.8
158.00734	0.3
164.22958	0.3
167.93195	0.3
212.89116	0.2
241.21768	1.1
257.04108	0.3
269.21289	2.7
270.21667	0.3
285.20795	1.2
287.22342	100.0
288.22705	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	288.1613
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01268	3.6
61.62019	0.3
61.98701	1.2
63.59732	0.4
66.37095	0.3
66.91543	0.3
69.16637	0.3
71.26349	0.8
81.03337	1.1
92.04955	0.6
92.23745	0.4
93.03371	1.8
107.03647	0.4
108.04446	3.8
109.02870	3.9
121.02879	0.8
124.01572	0.6
134.02406	36.3
135.03226	7.6
136.03976	36.7
137.02367	1.7
137.04312	1.2
148.03957	0.7
149.04735	1.2
176.03490	3.9
177.04097	0.4
190.05034	0.5
194.29356	0.4
197.90196	0.7
202.98891	0.5
204.06674	0.5
260.16666	0.6
288.16119	100.0
289.16431	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99160	0.4
59.01247	0.4
66.00522	0.4
70.03445	0.4
71.07929	0.7
92.41471	0.3
94.41670	0.4
98.44381	0.4
113.81313	0.4
125.02356	1.0
127.79397	0.4
132.04492	0.9
144.04532	0.8
145.03999	0.9
155.06084	0.7
157.07680	1.4
173.03531	4.3
181.07655	0.8
183.05605	10.5
184.05972	0.4
199.08717	0.6
201.06770	0.5
215.04617	31.2
216.04889	1.5
225.06696	1.3
243.07777	4.9
259.06107	1.1
287.06796	100.0
288.07108	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0568
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
54.97543	0.9
57.03337	13.9
58.03610	0.8
59.01256	2.9
63.02284	4.6
64.69134	0.8
65.00204	8.3
68.99687	0.7
69.38873	8.4
69.74155	0.8
81.03324	4.2
83.01274	10.1
85.02853	0.9
93.03358	1.9
96.95834	0.8
103.03051	0.9
107.01295	6.0
107.04964	1.1
109.02835	2.7
111.00767	1.7
113.02329	1.0
117.03420	1.5
121.02868	1.3
123.04424	2.3
124.01569	3.9
125.02367	100.0
126.02692	2.4
131.04959	2.0
133.02890	2.9
134.03613	1.5
135.04413	2.6
137.02356	1.6
142.05243	1.0
151.00307	14.6
152.01082	8.5
153.01862	2.9
155.62744	0.9
157.06538	2.5
159.04451	3.1
165.01817	1.4
169.01367	2.0
172.05272	2.7
173.06078	6.0
175.04076	1.6
175.07668	1.1
177.05533	15.7
178.05850	1.1
178.99805	5.9
197.06096	1.1
199.07533	2.4
200.04768	1.1
201.05568	9.6
202.05904	0.9
203.03529	1.1
213.05510	2.4
215.07085	7.2
219.06699	1.7
225.05586	1.4
241.05098	2.2
243.06657	10.7
244.06956	1.0
257.04596	1.2
259.06149	79.3
260.06531	5.0
269.04605	3.4
287.05667	68.9
287.14819	2.6
288.05981	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	286.1091
Annotation	Noraugustamine
Peak:m/z	Relative Intensity
52.27873	0.3
59.01263	3.0
61.98714	1.4
66.03362	2.2
71.01251	0.6
71.60750	0.6
92.04960	1.8
94.06520	66.8
95.06853	2.0
105.03314	0.4
119.04934	0.8
120.04467	23.8
121.02862	1.6
121.04805	0.6
122.03627	1.6
125.02213	0.4
135.04466	1.0
138.05534	100.0
139.05881	3.1
145.02869	1.1
146.03590	0.6
147.04445	8.1
148.05237	2.5
149.06003	0.6
154.02759	0.5
158.29010	0.4
161.06035	0.5
163.07579	4.9
184.03987	1.0
185.04851	1.3
186.05620	2.6
194.06097	0.7
197.04849	0.6
197.99205	0.4
198.05565	8.8
199.06241	2.1
200.07062	0.7
207.31853	0.5
208.77429	0.4
211.06291	0.9
212.07140	10.2
213.07654	0.7
224.10739	0.4
226.08720	2.8
228.07816	0.5
240.10397	0.9
242.11897	5.1
256.03387	0.6
286.10901	95.6
287.06305	0.5
287.11395	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2396
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.75980	0.3
51.70232	0.3
53.86604	0.3
54.60225	0.3
59.01261	1.2
61.98704	1.9
64.78239	0.3
70.02876	0.9
71.09052	0.4
71.09371	0.7
74.06021	1.9
118.05035	0.6
125.02348	0.5
144.30702	0.4
165.64940	0.3
180.04530	0.4
228.03719	0.7
240.23378	2.3
242.21216	1.7
256.03369	1.4
268.22852	0.9
270.80219	0.3
284.22363	0.6
286.23956	100.0
287.12894	0.7
287.24377	8.0
287.27509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98638	0.2
57.03340	16.5
59.01286	0.2
69.03305	0.3
70.96900	0.4
72.75007	0.2
75.84136	0.2
81.03348	2.3
83.01277	7.3
109.02886	1.2
112.61831	0.2
121.02913	0.3
123.04398	0.3
125.02370	100.0
126.02721	2.3
133.02875	3.9
135.04469	1.0
137.02364	0.3
149.02425	0.5
149.05991	0.8
159.04491	0.6
161.02391	38.7
162.02925	1.2
165.01886	0.9
177.01913	1.0
177.05542	4.4
179.19058	0.2
183.04340	0.3
186.79718	0.2
201.05595	0.8
203.03561	0.3
287.05682	29.8
288.06021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.057
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
52.98638	0.2
57.03340	16.5
59.01286	0.2
69.03305	0.3
70.96900	0.4
72.75007	0.2
75.84136	0.2
81.03348	2.3
83.01277	7.3
109.02886	1.2
112.61831	0.2
121.02913	0.3
123.04398	0.3
125.02370	100.0
126.02721	2.3
133.02875	3.9
135.04469	1.0
137.02364	0.3
149.02425	0.5
149.05991	0.8
159.04491	0.6
161.02391	38.7
162.02925	1.2
165.01886	0.9
177.01913	1.0
177.05542	4.4
179.19058	0.2
183.04340	0.3
186.79718	0.2
201.05595	0.8
203.03561	0.3
287.05682	29.8
288.06021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05954	0.8
59.01267	100.0
60.01593	1.7
61.98703	0.8
70.79572	2.3
71.01264	1.6
74.70036	0.8
83.04927	4.7
89.02334	2.5
91.36980	0.9
108.02092	1.1
110.05980	2.1
122.06041	2.2
162.67184	0.9
164.04579	1.3
209.08290	1.1
225.16078	13.5
255.11458	0.9
259.46518	0.8
285.04077	1.3
285.09787	1.3
285.27087	3.4
290.48550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.208
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.61121	0.4
57.03320	0.5
59.01270	2.3
61.01350	0.4
61.98711	1.3
70.23663	1.8
78.65828	0.4
118.79432	0.4
120.49365	0.4
124.81450	0.4
186.95604	0.4
195.17497	0.5
202.98817	0.5
203.02182	0.5
221.19125	0.6
223.20674	57.8
224.21004	3.4
227.03404	1.4
241.21744	1.5
243.32285	0.5
255.03087	3.3
256.03299	0.7
267.19705	32.4
268.19983	2.2
270.05475	1.5
285.04102	2.7
285.07730	1.6
285.20770	100.0
286.21124	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	285.0775
Annotation	Eryvarin L
Peak:m/z	Relative Intensity
63.74569	0.4
66.00617	0.4
71.54603	0.6
71.54927	0.5
74.95673	0.4
80.41402	0.4
116.55045	0.4
128.71191	0.4
143.04939	0.6
157.02901	0.8
171.04474	1.0
199.03961	1.9
211.03969	1.9
227.03505	44.3
228.03853	3.0
255.03026	100.0
256.03354	7.2
270.05392	41.2
271.05652	3.1
285.07758	37.8
286.08237	2.0
287.12381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0775
Annotation	Vestitone
Peak:m/z	Relative Intensity
57.03318	0.4
59.01264	4.1
61.98711	0.6
64.25938	0.4
69.27866	2.7
69.28294	2.1
72.32762	0.4
75.28759	0.4
83.01292	0.6
93.03330	0.9
95.01254	0.5
108.02096	3.5
109.02853	2.2
121.02878	2.5
124.01534	0.7
133.02835	2.1
137.02397	1.0
138.03140	0.6
139.03853	0.9
148.01595	3.5
159.04385	1.5
161.02408	3.0
163.03961	2.4
168.02863	0.5
169.06531	0.6
172.05209	0.7
181.06638	0.8
183.04434	2.3
185.05980	1.7
186.03178	1.9
187.03952	3.6
197.05994	0.6
199.03967	1.7
200.04681	0.6
201.05444	1.0
202.06160	0.5
208.05191	0.6
209.06070	2.7
211.03979	2.2
211.13408	0.7
213.05461	0.6
217.04927	0.6
223.20567	0.5
224.04749	0.6
225.05540	4.2
226.06279	1.5
227.03485	10.2
228.04124	1.7
229.05023	0.6
241.05113	4.6
241.08797	1.5
242.05818	2.4
243.06537	1.2
253.05084	10.7
254.05574	0.9
255.03024	7.6
256.03439	0.8
257.08206	1.3
260.03275	1.1
269.04614	5.8
270.05383	36.5
271.05841	2.7
274.04825	0.8
284.26834	10.0
285.04178	11.9
285.07709	100.0
285.17062	1.4
285.20715	1.5
285.27075	3.2
286.08081	8.5
302.04459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.6
60.46066	0.7
70.57725	0.8
70.95820	1.8
70.96166	1.4
72.65822	0.8
73.02841	1.1
73.46581	0.8
93.03350	2.7
95.01308	1.4
101.65936	0.9
108.02073	16.9
109.02875	4.5
111.42077	0.8
121.02876	53.7
122.03185	1.0
123.04442	3.9
132.02110	0.8
133.02876	7.5
134.03613	2.1
148.01601	8.6
153.02054	0.8
158.19717	0.8
161.02419	5.0
161.04773	2.0
162.03145	1.3
162.05444	0.8
163.03935	3.0
165.01888	0.7
170.36359	0.8
172.05257	4.3
173.06102	0.8
174.06674	0.8
181.12317	8.0
183.04486	2.6
193.03816	2.6
197.06117	4.8
198.06784	3.4
199.03912	2.0
212.54602	0.9
213.05585	1.2
223.07663	0.9
224.04654	1.0
225.05574	8.6
225.11346	1.7
226.06174	1.2
227.03510	3.0
240.04385	1.3
241.05096	17.1
241.08859	2.0
242.05875	87.9
243.06216	5.7
253.04951	1.2
256.07266	1.0
257.08234	76.7
258.08600	7.0
267.06641	1.9
269.04614	3.1
270.05231	1.9
284.26804	3.8
285.04236	5.3
285.07730	100.0
285.12222	3.9
285.17139	2.2
285.27048	1.4
286.08151	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	285.0622
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.61678	0.4
53.90701	0.4
59.01250	0.7
63.41072	0.4
71.14249	1.0
74.70336	0.4
81.03342	0.9
101.02872	0.5
106.16830	0.4
108.02077	80.6
109.02894	12.1
109.29221	0.4
118.40397	0.5
121.02873	0.8
133.02898	0.7
151.03963	1.6
152.01093	62.4
153.01875	33.6
154.02208	0.8
163.03961	1.2
165.01874	1.2
165.86020	0.5
246.98868	0.5
284.26834	1.1
285.06219	100.0
286.06564	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	285.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.6
64.53216	0.3
71.01259	0.3
71.19292	0.4
71.19621	0.3
81.03353	1.3
85.02834	0.5
86.66847	0.2
93.03373	0.4
95.01301	0.7
97.25398	0.3
108.02071	100.0
109.02896	12.4
110.03222	0.5
110.09428	0.3
121.02800	0.5
123.00803	0.3
123.04436	0.4
133.02879	0.9
135.00821	0.6
151.03947	1.4
152.01083	62.2
153.01875	25.4
154.02231	0.8
163.03937	1.0
165.01859	0.9
183.45584	0.2
209.46268	0.3
225.03957	0.3
241.07191	0.3
284.26868	1.7
285.06204	54.9
285.27127	0.7
286.06509	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	285.0775
Annotation	Anhydroherbarin
Peak:m/z	Relative Intensity
55.19374	0.6
59.01261	5.0
61.21716	0.6
61.98731	1.5
63.64374	0.6
70.78338	1.7
78.95837	0.7
83.01302	0.6
96.58685	0.5
96.95963	0.7
107.01325	0.9
116.75157	0.6
121.01986	1.3
121.02873	27.6
121.62759	0.6
122.03263	1.2
135.15172	0.5
136.01697	1.1
145.02960	0.5
151.00351	1.3
152.91682	1.4
153.71236	0.5
157.02916	1.1
157.28879	0.5
159.04491	0.7
164.01134	2.7
173.02481	1.0
173.34642	0.5
181.02985	2.1
183.04492	4.6
185.02356	1.1
186.95744	0.7
187.03961	0.6
196.00154	1.2
199.04080	2.0
203.02216	1.1
209.02383	3.2
211.03993	3.9
222.06418	0.5
227.03505	45.5
228.03873	2.5
255.03032	100.0
256.03375	5.2
270.05396	93.7
271.05780	5.7
284.26825	10.2
285.04266	5.1
285.07730	79.2
285.17834	0.6
285.20740	2.0
285.27045	3.6
286.08130	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	285.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41838	0.3
56.76462	0.3
57.16490	0.3
57.83449	0.3
59.01280	2.2
60.85799	0.3
63.02277	0.9
65.00217	2.8
71.59605	0.5
73.05870	0.3
75.00775	0.5
83.01283	1.5
91.01810	0.6
92.78560	0.3
96.95896	0.3
105.03370	0.6
107.01289	4.5
108.02122	0.4
109.02870	0.4
121.02866	0.9
132.02066	0.7
133.02882	25.4
134.03261	0.7
135.00815	0.6
135.04453	0.3
143.04990	0.4
149.02383	4.1
150.99142	0.6
151.00327	9.3
153.01933	0.6
169.06519	0.4
171.04430	0.6
175.03983	5.5
177.30264	0.3
185.06067	0.5
187.03961	0.7
194.53970	0.3
197.05949	0.3
198.03249	0.8
199.03973	4.2
201.01929	1.6
211.03992	0.8
213.05548	1.0
215.03497	0.7
217.05028	2.6
223.04094	0.7
227.03537	3.1
229.05014	0.4
239.03596	0.4
241.05132	1.3
243.02974	1.2
255.03006	7.9
256.03592	0.8
257.04590	1.0
265.95297	0.3
270.05365	3.3
284.26837	3.3
285.04123	100.0
285.07596	4.7
285.27176	1.2
286.04486	9.1
286.07837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42995	0.5
69.80418	3.8
75.80453	0.4
81.03353	0.8
87.12642	0.6
108.02079	100.0
109.02893	20.9
110.03236	0.6
110.98441	0.6
121.02907	0.9
122.05988	0.6
123.04427	0.9
133.02866	1.2
135.00772	1.1
136.40567	0.5
139.21767	0.5
140.48178	0.5
151.03937	1.3
152.01094	79.3
153.01884	38.6
163.03935	1.3
164.68948	0.5
165.01894	0.8
166.21060	0.6
284.27023	0.9
285.06226	41.7
286.06500	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	285.0623
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
58.92310	0.5
60.00099	0.5
63.49408	0.5
69.87720	2.5
69.88124	1.0
78.95786	0.8
81.03332	0.7
98.20587	0.4
101.40414	0.4
105.09739	0.5
108.02076	100.0
109.02892	19.8
121.02825	0.5
133.02898	0.6
135.00787	0.6
137.29996	0.5
140.11180	0.4
151.03937	1.7
152.01093	63.3
153.01881	30.4
154.02179	0.9
163.04013	0.5
165.01880	0.9
202.49287	0.5
225.64461	0.5
266.98529	0.5
285.06226	65.9
286.06604	4.8
286.97281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41838	0.3
56.76462	0.3
57.16490	0.3
57.83449	0.3
59.01280	2.2
60.85799	0.3
63.02277	0.9
65.00217	2.8
71.59605	0.5
73.05870	0.3
75.00775	0.5
83.01283	1.5
91.01810	0.6
92.78560	0.3
96.95896	0.3
105.03370	0.6
107.01289	4.5
108.02122	0.4
109.02870	0.4
121.02866	0.9
132.02066	0.7
133.02882	25.4
134.03261	0.7
135.00815	0.6
135.04453	0.3
143.04990	0.4
149.02383	4.1
150.99142	0.6
151.00327	9.3
153.01933	0.6
169.06519	0.4
171.04430	0.6
175.03983	5.5
177.30264	0.3
185.06067	0.5
187.03961	0.7
194.53970	0.3
197.05949	0.3
198.03249	0.8
199.03973	4.2
201.01929	1.6
211.03992	0.8
213.05548	1.0
215.03497	0.7
217.05028	2.6
223.04094	0.7
227.03537	3.1
229.05014	0.4
239.03596	0.4
241.05132	1.3
243.02974	1.2
255.03006	7.9
256.03592	0.8
257.04590	1.0
265.95297	0.3
270.05365	3.3
284.26837	3.3
285.04123	100.0
285.07596	4.7
285.27176	1.2
286.04486	9.1
286.07837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74485	0.3
56.13696	0.3
59.01266	56.6
60.01599	0.6
61.98712	0.4
69.73461	2.2
71.01273	1.6
73.02824	1.6
76.77139	0.3
80.02583	0.6
82.52480	0.3
83.93964	0.3
84.79259	0.3
85.02850	0.6
87.04408	0.5
89.02335	1.0
93.03407	0.4
101.02335	1.5
109.06485	0.3
113.02374	0.6
119.03384	0.5
128.35435	0.3
161.04466	0.9
169.06374	0.3
169.67662	0.3
179.32626	0.3
189.12849	1.0
191.10780	0.9
195.13864	1.8
196.05338	0.7
197.06084	1.7
201.02534	3.2
202.02750	0.4
207.13899	9.5
208.14203	0.6
223.08266	3.1
226.02766	0.4
239.03490	0.4
240.04172	0.9
241.05037	1.2
242.02376	0.4
244.76604	0.4
245.11926	0.8
251.12981	1.7
254.02220	0.9
265.25430	0.5
268.03815	1.9
269.04578	3.9
283.02869	0.7
283.06210	2.2
283.10153	1.1
283.15591	6.2
283.19385	3.0
283.26480	100.0
284.07056	2.4
284.15933	0.5
284.26834	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	283.1709
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01266	6.1
71.01307	0.5
78.54625	0.5
98.51383	0.4
101.02348	0.7
106.04150	0.5
107.04930	99.9
108.05244	3.4
143.60924	0.4
163.11227	97.9
164.11568	4.2
201.02551	0.6
202.18643	0.5
223.08334	0.8
283.17093	100.0
283.23032	2.9
283.26443	53.7
284.17429	8.9
284.26801	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	285.0412
Annotation	Cyanidin
Peak:m/z	Relative Intensity
59.01254	0.8
63.02280	0.8
65.00202	0.6
65.07214	0.2
67.01746	0.2
69.32578	1.2
69.33012	0.9
82.08325	0.2
83.01273	1.1
93.03355	2.5
93.54520	0.2
93.73089	0.2
107.01296	1.3
108.02072	0.5
109.02866	0.8
115.05470	0.2
117.03362	0.5
119.01212	0.3
123.00755	0.3
130.04106	0.2
131.04948	0.5
133.02858	0.4
135.00781	0.6
137.02348	0.4
143.04955	1.3
145.02866	0.9
145.06520	0.3
151.00290	1.6
154.04172	0.9
155.04974	0.6
157.02911	0.4
157.06531	0.9
159.04428	0.9
161.02367	0.6
163.00284	0.7
164.01099	0.6
165.01889	0.3
167.04924	0.5
169.01413	0.3
169.06543	1.2
171.04442	1.0
173.02344	0.4
173.06017	0.3
179.41090	0.2
183.04474	0.6
184.05302	0.5
185.06049	2.0
187.03983	1.7
197.06042	0.3
197.34100	0.2
198.03218	0.4
199.03967	0.4
200.04724	0.2
201.05562	0.4
203.16354	0.2
208.34322	0.2
211.03946	1.3
213.05530	0.9
214.02676	0.8
215.03444	0.5
219.02899	0.2
223.04036	0.2
227.03473	0.9
229.05064	2.2
239.03479	1.2
240.04218	0.4
241.05075	0.3
243.03003	0.7
255.02994	0.9
256.03555	0.4
257.04568	0.8
267.02954	0.3
268.03748	0.3
270.05273	0.3
284.03262	0.6
284.26791	1.7
285.04089	100.0
285.27020	0.3
286.04443	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01418	0.4
57.59267	0.5
59.01269	3.3
64.29488	0.4
64.96111	0.4
66.83788	0.4
69.33527	1.2
69.33938	4.5
70.21291	0.5
84.10396	0.4
92.57238	0.5
98.20567	1.1
106.35633	0.5
113.02389	0.6
114.98083	0.5
158.33232	0.5
171.04404	0.6
172.05264	1.5
195.04523	2.3
196.05286	6.7
198.03160	1.3
211.04001	2.3
212.04759	6.4
213.05087	0.5
239.03496	2.8
240.04309	94.9
241.04659	7.4
267.03046	5.0
268.03827	56.9
269.04196	3.2
283.06189	100.0
283.26468	20.1
284.06531	9.0
284.26636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21088	0.4
54.14185	0.4
59.01265	5.1
69.44185	3.9
74.19572	0.4
74.88003	0.4
85.34558	0.4
91.01767	1.8
94.36236	0.4
98.19833	0.9
100.14984	0.5
108.02056	0.9
126.74427	0.4
132.02055	0.6
135.00797	3.5
138.56937	0.4
143.45592	0.4
148.01582	5.4
153.01860	1.4
156.05745	1.0
160.01538	0.9
171.04428	0.5
183.04448	1.6
184.05281	5.0
195.04451	3.4
196.05212	2.3
198.03191	0.6
211.03999	17.4
212.04739	2.7
214.02692	0.8
223.04018	2.1
223.08298	1.0
224.04810	3.2
239.01059	0.5
239.03496	10.7
240.04262	8.1
241.04642	0.7
246.01663	1.0
251.03511	1.0
255.03027	0.8
267.02994	4.7
268.03824	95.5
269.04172	7.1
283.06186	100.0
283.26483	33.2
284.03503	0.9
284.06470	7.9
284.26785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0982
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
51.32831	0.3
59.01247	1.3
61.09244	0.3
69.81438	1.4
69.81845	0.6
87.55043	0.3
100.19386	0.3
115.86155	0.3
133.83395	0.4
134.13348	0.4
136.63344	0.3
167.04977	0.3
170.07356	1.6
181.06564	0.3
183.08031	0.6
185.06117	0.4
186.06842	4.3
195.04478	1.4
196.05284	0.4
196.08987	0.4
197.09705	0.7
199.07620	0.9
199.11208	1.1
201.02673	0.5
209.09673	1.3
212.08356	0.9
213.05603	1.6
214.06343	14.7
215.06654	0.5
225.09247	0.4
227.07097	0.6
227.10738	1.3
228.07925	1.0
233.78098	0.3
235.07623	0.5
236.08368	0.6
237.09129	0.8
238.09967	1.8
239.10684	1.0
242.06003	0.3
251.07053	0.3
253.08754	1.2
254.09439	3.1
255.10306	100.0
256.10666	6.7
260.06900	0.3
283.09830	53.4
283.26471	7.5
284.10175	4.4
300.10861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.062
Annotation	Questin
Peak:m/z	Relative Intensity
51.48728	0.3
57.67735	0.3
59.01267	32.7
65.00197	0.6
66.26281	0.3
66.34946	0.4
69.32159	3.8
70.88820	0.3
71.01264	1.2
72.82529	0.3
73.02832	0.6
77.03844	1.3
79.01772	1.1
85.02893	0.6
89.02354	0.5
93.03360	0.7
101.02331	0.9
103.23732	0.4
104.27779	0.3
105.03361	1.6
109.39712	0.3
117.03415	0.4
121.02895	1.1
132.02081	1.0
133.02881	8.1
133.20187	0.3
134.03200	0.4
135.04433	1.8
143.04977	0.4
149.02322	0.6
157.02849	0.5
159.04529	1.6
161.04436	0.7
171.04460	0.4
183.04515	0.4
183.08142	0.6
189.12845	0.4
193.06479	0.6
194.07297	1.1
195.08130	2.1
196.05298	0.5
197.06039	1.5
201.02530	1.6
209.06107	0.5
210.06874	0.4
211.07625	1.0
213.05453	0.4
223.04007	0.5
223.08200	2.6
224.04779	0.8
225.05423	0.4
227.07195	1.2
237.05608	0.6
238.06276	1.0
239.03607	0.4
239.07143	1.9
240.04297	0.7
245.11948	0.4
255.06580	0.8
268.03888	0.8
269.04486	0.6
281.04697	0.5
283.06192	100.0
283.15576	6.3
283.26486	74.1
284.06528	8.6
284.26801	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	283.0618
Annotation	Cicerfuran
Peak:m/z	Relative Intensity
59.01117	5.2
59.01460	2.7
59.81496	0.5
59.86260	0.5
69.34740	2.8
69.35168	1.7
91.01630	1.9
101.02175	0.8
108.01913	1.3
109.02682	3.4
121.02634	0.5
132.02003	0.5
133.02750	1.2
133.18901	0.5
134.03497	1.0
135.00607	3.6
143.04814	0.5
145.02750	1.0
146.03651	5.8
147.04445	3.4
148.01604	4.7
153.01723	1.7
155.01588	0.4
156.05630	0.7
158.03508	1.7
159.04478	4.0
160.01436	1.0
161.05830	0.9
183.04567	2.5
184.05257	5.2
185.05484	0.6
194.72800	0.5
195.04492	4.3
196.05249	2.4
198.03198	0.9
211.03984	17.2
211.07195	0.6
212.04625	3.0
223.03979	2.5
223.08057	1.3
224.04726	3.0
225.05333	0.9
227.03545	2.4
239.01094	0.6
239.03510	11.4
239.07210	1.2
239.16566	1.6
240.04263	7.8
251.03441	1.2
251.07225	0.9
252.07967	0.6
255.03011	3.3
267.03030	5.5
267.06555	3.8
268.03818	100.0
268.07184	7.3
269.04224	7.6
269.07623	0.9
283.06216	92.1
283.09750	15.1
283.15640	2.4
283.26468	51.2
284.03281	2.4
284.06558	7.5
284.10406	1.7
284.26935	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	281.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30170	1.6
54.25398	1.4
59.01265	100.0
64.37611	1.5
69.84190	9.4
71.01257	2.6
71.04934	1.9
73.02837	43.6
81.03343	15.9
83.04909	1.5
85.02818	2.0
87.00777	13.8
89.02333	2.7
93.06991	1.8
95.04919	3.7
97.06482	4.3
101.02310	3.5
107.04947	13.9
109.06528	14.8
111.08070	8.7
113.02361	2.5
113.05985	35.0
114.06354	1.8
133.06526	2.5
135.04466	11.4
137.09659	1.9
149.05719	1.7
154.80414	1.6
161.04485	3.5
161.09657	14.9
161.13297	4.8
167.07100	20.0
173.06081	2.1
187.11249	31.9
189.09132	5.9
193.07263	2.0
204.07851	2.8
205.12337	19.9
216.07906	4.3
219.13960	11.2
221.06622	2.4
221.11845	2.3
237.15010	3.6
245.09619	2.0
245.11836	15.5
246.72974	1.7
263.10645	1.6
281.08798	1.8
281.11343	3.5
281.14328	21.8
281.17212	1.9
281.24805	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2335
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.10313	0.8
52.73867	0.7
59.01260	0.9
60.43676	0.7
65.13982	0.7
66.17849	0.6
68.12914	0.6
70.33854	3.1
82.51814	0.8
83.23013	0.7
136.23303	0.9
163.92505	0.7
237.51669	0.7
279.23346	100.0
280.23688	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	281.1189
Annotation	Juncunone
Peak:m/z	Relative Intensity
51.25545	0.3
53.23938	0.3
58.46693	0.3
59.01263	13.2
61.98716	0.4
66.05035	0.3
70.75832	0.7
71.01251	1.3
74.46872	0.3
79.05451	0.4
85.02850	0.3
85.92787	0.3
89.02336	0.9
93.03336	0.3
101.02354	1.0
107.04933	1.4
113.02372	0.5
114.78673	0.3
116.97173	0.4
127.39795	0.3
128.65739	0.4
133.06532	4.0
135.04422	3.8
157.06670	0.5
161.04514	0.6
173.06091	0.3
193.07077	0.7
196.08824	0.5
212.08411	4.4
219.11902	0.3
221.06328	1.0
222.06866	0.9
223.07654	5.7
223.11255	0.9
225.09232	1.0
235.11345	0.6
237.09064	0.4
237.14951	0.3
239.07150	1.8
240.07948	6.7
241.08200	0.8
245.09682	0.5
252.07756	0.4
253.12372	1.2
261.09222	1.5
262.10004	0.4
263.10809	27.0
264.11096	1.8
281.11871	100.0
281.24854	1.5
282.12222	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	281.1188
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
55.25517	0.1
59.01264	4.8
60.63421	0.2
69.23933	0.1
69.37678	1.5
71.01270	0.5
83.88907	0.1
89.02351	0.3
93.97848	0.1
96.95972	0.1
101.02364	0.3
107.04955	0.5
109.02856	1.3
117.03340	0.2
123.97597	0.2
129.47943	0.2
133.06541	0.3
134.03674	1.2
135.04446	100.0
136.04781	3.1
138.71164	0.2
147.04466	0.3
159.08127	0.4
161.04567	0.3
162.06874	0.2
217.12335	0.3
221.06516	0.3
245.11847	0.3
270.31171	0.2
281.01114	0.2
281.11890	5.7
281.24817	0.7
282.12247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.119
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
59.01273	1.6
59.73560	0.3
66.99879	0.3
70.52522	0.7
93.03374	0.3
93.93697	0.3
133.06505	2.3
135.04434	0.6
137.02441	0.8
147.04378	0.4
149.02385	26.8
150.02742	0.7
163.03954	7.5
164.04739	97.1
165.05090	4.0
187.31638	0.3
225.09206	1.7
240.07956	2.3
253.08696	0.6
281.11890	100.0
282.12231	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	0.8
70.10178	1.7
70.10567	1.8
71.01270	2.5
73.02837	0.9
73.17924	1.0
84.32757	0.9
85.02853	1.4
89.02332	1.8
101.02343	2.3
113.02378	1.4
134.80060	0.7
147.32918	0.7
151.07082	0.8
154.55795	0.7
161.04491	1.5
193.07150	1.2
221.06639	0.9
221.10327	2.0
281.24866	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	281.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45097	0.9
57.03338	1.4
58.20287	0.8
59.01269	100.0
69.51365	7.6
71.01279	2.6
71.04906	4.6
73.02840	4.1
79.05457	0.9
81.03357	1.3
85.02821	1.0
87.00777	21.5
89.02335	1.9
95.04925	1.7
96.95914	3.1
97.06512	0.9
101.02349	1.6
106.04145	1.0
107.04938	2.5
113.02383	1.4
113.06015	1.2
117.28604	0.9
119.03445	0.9
119.04933	0.9
120.05751	2.3
121.06518	3.1
122.66703	0.8
133.06516	3.4
133.10162	1.2
135.04486	2.1
152.04744	1.2
157.06589	1.1
159.11711	2.1
161.04530	1.1
161.09677	24.7
161.13316	5.6
162.09999	1.1
172.09033	1.1
173.05989	1.8
177.44951	0.9
185.09747	1.0
187.11267	53.1
188.11636	3.4
189.09209	10.0
202.00871	1.4
203.10788	1.0
205.12358	6.5
216.07916	1.5
219.13913	16.9
221.06549	1.4
221.11891	1.7
237.15039	2.1
240.07910	2.2
245.11948	5.8
249.11320	1.2
263.10913	2.0
267.12454	2.6
280.95901	1.8
281.11487	10.3
281.14185	4.6
281.17169	1.6
281.25021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04349	0.9
59.01228	1.1
69.86452	5.0
80.36866	0.8
82.37112	0.9
83.82719	1.0
87.14966	1.0
97.06491	4.5
97.97652	0.9
109.97951	0.9
135.04448	5.1
146.03619	2.0
147.04449	13.8
148.05171	2.9
149.05986	2.8
152.91632	1.0
159.03181	1.6
159.04462	20.8
160.05157	1.6
161.06061	5.5
163.07587	2.4
172.05241	4.1
173.06036	30.4
174.03180	3.3
174.06496	1.7
175.03889	4.0
175.07564	4.6
180.14095	1.2
180.92529	1.0
187.04007	1.7
187.07605	11.4
188.08142	1.4
189.05547	14.5
189.09186	7.4
191.10718	2.3
194.92770	1.4
201.05536	8.0
201.09187	3.4
203.07094	3.9
204.07910	22.4
205.08264	1.3
208.09024	1.0
215.07045	3.3
216.07910	52.8
217.08397	3.4
227.10774	2.7
230.60416	0.9
245.11856	100.0
246.12230	7.2
267.28745	0.9
273.71738	1.0
277.11133	3.5
277.14490	45.3
277.21640	6.3
278.14832	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2177
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.27309	0.1
59.01266	3.2
61.98701	0.2
71.01251	0.6
71.62494	0.2
83.04919	0.2
97.06480	0.1
97.96548	0.1
101.02261	0.1
121.02871	0.2
127.07551	0.4
134.03625	0.1
152.91696	0.1
194.95425	0.2
195.93311	0.1
205.15918	0.4
233.19107	0.1
233.22791	0.4
235.13380	0.2
242.70491	0.1
248.49358	0.1
259.20682	0.6
275.20178	0.5
277.21768	100.0
278.22110	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.6
61.98724	0.4
69.44160	0.6
69.44559	1.9
70.31519	0.2
71.01265	0.5
80.93359	0.2
93.22340	0.2
97.06436	0.2
98.20561	0.5
121.02874	0.3
121.11137	0.2
194.92839	0.4
205.15938	0.6
233.22800	0.6
259.20547	0.5
275.20267	0.5
277.18570	4.1
277.21765	100.0
278.22107	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	277.2177
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.16521	0.4
56.77180	0.5
59.01257	1.6
66.82142	0.4
71.01284	0.4
71.22920	1.0
76.12479	0.4
79.39268	0.4
79.75217	0.4
82.55593	0.4
87.21864	0.4
88.70383	0.5
118.77957	0.4
169.58383	0.4
213.62010	0.4
233.22462	0.5
259.20718	0.8
277.21780	100.0
278.22116	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	275.2022
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
56.99402	1.6
59.01271	12.9
60.64503	1.6
70.20544	1.7
71.56496	2.6
71.56863	1.8
72.37723	1.3
75.13318	1.3
109.11010	1.5
119.04947	1.5
138.55103	1.7
145.45508	1.7
231.21188	7.1
275.20209	100.0
276.20514	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	276.9188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.8
63.77074	0.4
69.75798	3.2
71.01278	0.5
78.95798	5.6
79.95634	0.7
92.76210	0.5
96.95911	12.1
96.96885	1.8
119.81393	0.4
135.13084	0.5
136.93944	100.0
137.94000	5.8
154.95085	0.8
158.92532	0.6
178.95036	1.5
216.89670	48.9
217.89783	3.0
217.96109	1.0
234.90753	31.0
235.90805	2.6
261.67517	0.4
263.13144	0.5
276.88800	0.8
276.91885	1.6
276.98828	2.7
277.21826	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	277.1451
Annotation	(+)-Methyl abscisate
Peak:m/z	Relative Intensity
51.90230	0.7
59.01275	1.3
69.03327	1.0
71.09223	1.9
73.41081	0.7
80.49816	0.6
91.50836	0.7
97.06472	4.1
109.02834	1.0
123.00730	0.7
124.01579	1.1
135.04460	4.7
145.06512	1.0
146.03665	1.6
147.04460	13.6
148.05275	3.0
149.06026	3.7
152.91714	1.4
159.04475	19.0
160.05183	1.6
161.06050	4.7
172.05264	4.4
173.06042	34.3
174.03168	2.5
174.06398	1.8
175.03993	5.2
175.07590	4.6
183.04434	0.8
186.06831	1.6
187.03967	2.2
187.07619	8.9
188.08261	1.1
189.03830	0.8
189.05539	16.3
189.09171	7.3
190.05951	0.7
191.10759	1.9
194.92751	1.8
197.06085	1.6
198.06778	1.1
201.05556	6.4
201.09206	3.7
203.07143	2.8
204.07904	29.0
205.08228	1.5
215.07123	3.9
216.07916	53.0
217.08286	2.8
217.12325	1.0
227.10812	13.3
229.12164	0.8
245.11856	100.0
246.12257	6.0
259.13434	3.6
276.95789	1.1
277.14502	56.8
277.21655	5.5
278.14862	3.5
278.33899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1452
Annotation	(+)-Methyl abscisate
Peak:m/z	Relative Intensity
54.26037	0.5
58.45487	0.5
71.39367	1.1
78.53020	0.5
87.56604	0.6
95.74376	0.5
97.06508	4.1
135.04439	4.6
145.06425	0.8
146.03644	1.4
147.04454	13.3
148.05190	1.6
149.06061	2.9
159.04468	16.7
160.05116	0.9
161.06062	5.3
172.05208	3.4
173.06044	30.7
174.03195	1.6
174.06483	1.4
175.03976	5.1
175.07561	3.3
186.06830	1.1
187.03972	1.6
187.07619	8.5
188.08305	1.1
189.05551	13.0
189.07475	0.9
189.09154	7.5
190.05948	0.7
191.10779	1.8
194.92819	0.7
201.05580	6.5
201.09206	4.8
202.06160	0.6
203.07133	4.0
204.07906	28.0
205.08269	1.7
215.07144	3.7
216.07925	50.9
217.08325	2.9
217.12361	0.9
227.10704	1.7
245.11862	100.0
246.12189	8.0
277.14514	42.6
277.21677	1.8
278.15045	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37682	0.3
54.73098	0.2
59.01272	0.4
61.98699	0.3
63.02287	0.5
65.00211	0.7
73.98229	0.2
78.42283	0.2
83.01280	0.4
83.04945	0.3
93.03351	0.7
98.28261	0.2
107.01269	1.2
109.02822	0.5
119.04164	0.4
119.04945	3.6
120.05297	0.2
125.02376	0.4
151.00293	3.1
177.01913	0.4
186.95668	0.3
189.93001	0.3
204.26274	0.2
225.22218	3.7
226.22569	0.3
253.21739	1.7
269.21268	0.8
271.06171	4.6
271.22833	100.0
272.06476	0.4
272.23157	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	271.2285
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01255	0.3
65.00201	0.6
69.49876	0.7
69.50300	1.4
74.85870	0.3
78.23578	0.3
81.81841	0.2
82.72855	0.3
83.01270	0.5
93.03353	0.6
98.19790	0.5
107.01348	1.3
119.04950	2.1
125.02275	0.3
147.06157	0.2
151.00302	2.7
169.60562	0.2
225.22250	4.4
253.21829	1.5
269.21332	0.9
271.06219	3.6
271.22839	100.0
272.06549	0.7
272.23178	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	271.2286
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.78453	0.2
55.01767	0.3
56.44911	0.2
59.01271	0.2
63.02290	0.3
65.00216	0.2
78.39664	0.2
79.63465	0.2
83.01285	0.4
84.02112	0.2
93.03339	0.6
107.01302	0.5
119.04947	2.0
125.02358	0.3
130.41933	0.3
151.00294	1.9
177.01918	0.4
197.19067	0.8
221.19159	0.7
223.20648	3.1
225.22247	52.7
226.22552	3.2
253.21764	1.1
269.21320	0.5
271.06235	3.2
271.22849	100.0
272.23178	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	275.1297
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
50.32627	0.9
54.38715	1.1
59.01264	10.5
69.48258	8.3
70.85870	1.0
71.01261	1.5
73.02836	1.2
88.36024	1.2
92.91775	1.1
98.20583	2.2
116.92787	4.5
125.02388	1.8
140.68939	1.1
145.02939	1.6
146.03685	2.2
148.05162	1.6
150.94739	1.8
157.06537	1.6
157.30951	1.1
159.04483	2.2
159.08162	1.4
161.06017	3.3
162.06815	20.6
172.05220	1.9
173.06041	1.9
174.06874	7.0
175.07605	58.5
176.04753	2.0
176.07932	2.3
179.04053	1.6
185.06050	1.8
186.06808	4.2
188.04729	3.7
189.05545	2.9
189.09087	1.3
190.03214	1.1
190.06297	6.3
191.07077	2.5
192.95790	7.8
197.09714	4.8
199.07634	3.1
202.06149	1.5
203.04251	7.1
203.07115	34.7
204.04886	7.5
204.07506	2.0
206.06380	3.7
215.10760	51.9
216.11076	4.0
217.08731	6.6
217.12282	7.8
231.06659	2.1
231.10275	33.0
232.04391	2.1
232.10905	11.7
233.04945	1.3
234.05908	1.8
239.17346	1.1
243.10251	8.0
247.13429	58.0
248.13750	4.4
258.08969	7.8
260.10587	16.3
261.11063	1.3
275.08624	20.6
275.12939	100.0
276.08743	2.2
276.13232	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	271.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27548	0.3
50.37030	0.3
57.03336	0.3
59.01263	0.9
63.02282	9.1
64.02618	0.5
65.00210	15.0
66.00542	0.3
71.59545	0.5
74.08084	0.3
83.01277	10.5
87.04428	0.6
93.03362	12.9
101.86085	0.3
107.01295	24.1
108.01588	0.7
109.02857	0.3
119.04942	71.0
120.05269	2.4
121.02873	1.0
125.02370	1.6
137.02371	0.5
139.07558	0.4
143.04967	0.9
145.02882	1.6
151.00308	64.5
152.00609	2.1
157.06477	0.3
161.06050	1.5
165.01865	3.6
165.05460	0.4
169.01373	5.5
177.01895	9.4
178.02226	0.7
185.06041	1.2
187.04001	2.9
221.55721	0.3
224.55446	0.3
225.54623	0.3
227.07170	1.2
229.05081	0.4
231.28316	0.3
241.05048	0.5
243.03107	0.4
243.06369	0.4
253.05229	0.4
271.06180	100.0
271.22824	1.2
272.06509	7.3
284.10266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0983
Annotation	5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
Peak:m/z	Relative Intensity
57.22222	1.3
59.01268	5.5
61.98734	1.7
63.02300	3.7
64.15165	1.2
65.00214	7.2
71.60827	2.1
83.01272	4.7
84.62219	1.4
93.03372	4.1
95.48916	1.2
107.01298	11.3
108.02116	2.8
109.02886	3.6
119.04942	34.9
119.05761	2.7
120.05312	2.7
125.02379	4.0
139.21202	1.3
150.39867	1.3
151.00310	32.9
153.89145	1.2
165.01917	2.2
169.01424	2.9
173.16060	1.5
177.01938	3.5
185.06105	1.5
186.28157	1.4
187.04007	1.9
193.47467	1.4
197.06023	6.4
199.03961	2.5
212.04781	2.7
213.05547	8.9
222.51830	1.3
225.22331	1.5
227.16525	2.0
240.04303	31.9
241.04993	9.0
255.06664	54.7
255.09384	2.6
256.07285	11.1
271.06198	48.7
271.09811	100.0
271.19220	6.5
271.22797	12.3
272.06451	3.7
272.10162	8.0
272.23129	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	271.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
59.09586	0.3
59.42893	0.3
60.28316	0.3
63.02283	9.9
65.00211	16.6
69.05664	0.3
70.56570	1.2
70.72449	0.3
72.88920	0.3
74.71498	0.3
75.00785	0.3
81.03346	0.5
83.01275	10.3
89.69659	0.3
91.01794	0.5
93.03356	13.9
93.07002	1.3
95.01299	0.4
95.04913	0.9
107.01294	24.6
108.02090	11.2
108.99238	0.3
109.02870	2.3
117.03373	0.6
118.03769	0.3
119.04942	69.0
120.05259	2.2
121.02873	2.5
122.03676	1.2
123.04429	6.5
125.02354	1.4
133.02884	0.8
135.04457	1.5
136.01595	2.1
137.06015	6.2
143.04955	0.8
145.02914	1.2
147.04453	5.0
149.02390	1.2
150.03191	3.6
151.00307	59.5
152.00681	2.0
161.02425	0.5
161.06006	1.4
165.01912	3.1
165.05521	21.1
166.05931	0.9
169.01385	5.2
177.01891	10.5
178.02118	0.4
184.32588	0.3
185.06061	0.9
185.07600	0.3
187.02518	0.4
187.03947	2.1
227.07100	1.4
229.04929	0.4
271.06140	100.0
271.09738	26.6
271.15646	1.3
271.22736	1.8
272.06503	7.4
272.10101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81352	0.3
59.01256	1.2
63.02282	9.6
65.00210	16.2
68.99726	0.4
71.18362	0.6
71.18697	0.4
80.02551	0.9
83.01278	10.8
93.03358	14.3
93.06998	1.5
95.04901	0.8
107.01297	25.0
107.95965	0.3
108.02100	10.1
109.02892	1.9
117.03379	0.6
119.04945	69.1
120.05282	2.2
121.02875	2.6
122.03656	1.2
123.04437	6.1
125.02339	2.0
133.02885	0.8
135.04433	1.2
136.01593	2.0
137.06013	5.6
137.22212	0.3
143.04967	0.7
145.02864	1.7
145.79996	0.4
147.04451	4.6
149.02396	1.3
150.03188	4.7
151.00311	59.8
152.00674	1.4
161.06047	1.1
165.01878	3.3
165.05528	21.2
166.05843	0.7
169.01347	4.6
177.01888	8.7
185.06033	1.6
187.03949	3.1
198.53767	0.4
211.13348	0.5
213.05522	0.4
227.07129	1.0
229.04994	0.7
249.75883	0.3
271.06158	100.0
271.09766	30.9
271.15726	1.4
271.22739	1.7
272.06537	6.9
272.10114	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	269.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.0
59.01265	100.0
69.08390	0.9
69.15163	0.9
69.41312	9.9
76.39202	1.0
88.85951	1.1
97.20428	1.0
99.04413	3.5
100.27384	0.9
117.03406	1.7
138.48708	0.9
149.02461	1.1
165.12788	8.4
171.04474	1.3
189.12846	1.6
191.55743	1.2
207.13896	19.1
208.14209	1.3
209.11844	21.6
210.12315	1.1
220.05661	1.0
225.14944	11.6
226.15387	1.3
227.03593	1.0
251.12923	8.5
252.13443	1.1
253.05061	3.4
255.02974	4.6
269.04736	8.1
269.07932	7.1
269.14001	89.5
269.21390	3.7
270.05173	3.0
270.14392	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	269.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96529	0.8
57.03344	5.8
59.01265	78.3
61.98702	0.8
71.01278	1.6
71.60862	1.0
82.02764	0.8
83.04899	3.8
87.00768	4.8
95.04896	1.5
97.06506	2.0
107.01289	1.0
109.06550	1.0
117.03416	3.9
124.46067	0.8
149.02373	1.9
151.00275	1.7
163.11258	1.4
165.12804	23.6
166.13040	0.9
173.15265	0.8
181.12379	4.8
181.13718	0.8
189.12799	0.9
191.10806	1.7
195.13791	0.9
196.05316	0.9
197.15439	4.1
207.13902	19.0
208.14153	1.1
209.11821	35.5
210.12135	1.6
225.05605	1.0
225.14981	17.2
227.03374	1.2
241.04967	1.3
241.14417	1.2
251.12920	8.6
254.02028	1.0
255.02878	0.8
260.84875	0.9
269.01678	1.1
269.04614	26.6
269.07831	2.5
269.13998	100.0
269.21292	14.5
269.24905	3.9
270.05002	2.8
270.14325	7.9
270.21570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0824
Annotation	(+)-Medicarpin
Peak:m/z	Relative Intensity
57.42411	0.4
59.01255	0.4
65.00204	0.4
65.88665	0.4
71.62387	0.7
75.53408	0.4
89.03869	3.2
91.01753	0.7
95.04910	0.7
108.02055	3.9
109.02916	0.5
112.35810	0.4
117.03378	3.1
121.02876	5.7
123.04431	3.5
132.02100	5.6
133.02890	10.5
134.03250	0.4
145.02882	6.4
146.03720	0.4
147.04448	6.4
151.00359	0.8
161.02365	0.5
165.07092	0.4
171.04437	0.7
179.05737	0.4
181.06578	0.6
182.07285	0.7
183.04478	2.5
184.05252	0.8
185.06058	2.5
186.06750	2.8
195.04501	0.5
197.06088	1.1
198.06804	0.8
199.07573	0.5
201.05470	0.4
201.09233	0.6
208.05254	1.0
209.06082	4.2
210.06676	2.1
211.04047	2.5
212.04701	0.9
225.05576	7.0
226.06346	5.8
227.03485	0.6
237.05635	2.5
238.06285	1.0
239.03526	1.3
239.06862	0.4
241.05141	0.5
241.08585	0.4
253.05101	20.1
254.05876	51.0
255.06262	3.3
269.04791	6.7
269.08237	100.0
269.21277	4.5
269.24939	1.5
270.08600	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	269.13
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.05791	0.4
59.01260	1.5
61.98719	0.5
62.81620	0.4
64.30625	0.3
65.00220	0.5
69.70653	2.0
71.01311	0.5
72.69508	0.4
75.00761	0.4
83.01299	0.4
83.04897	0.5
87.18417	0.4
89.02359	0.6
90.97023	0.9
94.02918	0.4
96.95883	0.4
101.02338	0.6
107.01324	1.0
108.02107	2.6
117.03373	3.9
120.04465	2.8
121.02917	0.9
129.17952	0.4
129.57698	0.5
132.98140	0.7
134.06044	0.5
147.04436	0.4
149.02347	0.7
151.00305	1.7
158.45285	0.4
169.06561	1.0
181.06531	0.5
181.15979	0.4
183.01146	2.6
184.01935	0.6
184.08080	0.4
186.95590	6.7
195.04402	0.5
196.05298	1.6
197.02802	4.1
197.06027	2.8
198.03482	1.3
198.12830	0.5
199.04059	0.7
207.17545	0.4
211.03827	0.5
211.08780	1.6
212.05934	0.5
213.05652	1.3
216.01045	0.9
225.05655	1.2
225.10327	3.0
225.22136	0.4
226.12450	1.4
227.03647	0.9
230.02516	1.4
239.08266	2.9
240.04247	2.0
240.08902	0.4
241.05075	4.7
241.13431	3.7
251.12030	0.9
253.09976	2.4
254.05777	0.7
254.10625	5.9
255.11122	0.6
269.04660	25.0
269.12952	100.0
269.17792	2.6
269.21317	13.6
269.24918	4.2
270.05014	2.3
270.13293	6.0
270.21558	0.7
286.09473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33269	0.3
59.01266	10.6
61.45085	0.4
70.93314	1.2
71.01291	0.4
80.02584	0.9
91.01799	0.6
92.98846	0.4
95.01318	0.5
99.04392	0.5
99.27745	0.4
101.91846	0.4
107.01284	1.7
108.02072	5.9
117.03369	7.4
119.04946	4.4
121.02895	0.5
123.00808	0.5
123.04438	1.2
133.06548	0.9
135.00835	1.1
136.01588	2.6
143.04977	0.7
145.02901	8.3
146.03366	0.4
148.01616	1.8
149.02364	0.8
151.00294	0.7
153.01917	0.7
154.04179	0.8
155.05025	0.7
161.02396	5.7
165.12831	0.9
169.06409	0.4
171.04453	1.5
180.00688	1.6
181.06642	0.4
182.03679	2.4
183.04463	1.9
184.05232	1.3
185.02353	0.4
185.05954	0.5
187.03984	0.9
197.05995	2.4
198.03214	1.7
198.06630	0.6
199.04001	1.6
207.14024	1.9
208.05385	0.5
209.06119	3.0
209.11755	2.3
211.03981	4.3
212.04733	0.8
215.30365	0.4
225.05573	9.8
225.15005	1.4
226.02763	7.4
226.06104	2.2
227.03537	4.9
227.07072	4.2
237.05605	4.8
241.05190	1.9
251.12921	1.0
253.05104	59.6
254.02275	2.3
254.05779	14.4
255.03041	11.8
255.05873	0.8
269.04675	28.0
269.08246	100.0
269.14001	10.4
269.21280	7.3
269.24823	1.7
270.05289	7.1
270.08591	6.7
270.14331	0.6
270.21683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0823
Annotation	Amoenumin
Peak:m/z	Relative Intensity
57.03343	0.7
59.01252	2.5
61.98708	0.9
63.02295	0.7
65.00188	1.1
70.80333	1.8
70.80670	0.7
71.01264	0.9
73.02773	0.6
75.00755	0.7
79.53648	0.6
82.50694	0.6
83.04908	0.7
86.47874	0.7
91.73290	0.6
95.01268	0.8
107.01289	1.1
108.02085	3.8
109.02899	0.7
117.03358	4.8
120.61551	0.7
121.02866	2.9
123.04406	0.8
132.02071	1.5
132.98103	0.8
133.02864	1.5
145.02878	1.8
149.02348	2.3
151.00346	1.9
154.55634	0.7
158.26411	0.7
159.04414	0.7
169.06558	0.8
183.04581	1.1
184.05124	1.3
185.06007	2.4
186.06825	1.6
186.95560	5.2
195.04501	1.2
196.05350	0.9
197.06056	4.3
197.07597	0.7
199.03944	1.3
201.05560	1.1
209.06046	5.6
210.06868	4.3
211.03957	2.9
212.04739	1.6
213.05536	1.0
223.07689	0.9
224.04694	0.9
225.05600	9.7
225.09096	1.0
225.22136	0.9
226.02786	1.1
226.06268	3.0
227.03426	1.2
231.10333	1.3
237.05640	0.9
239.03531	1.7
240.04303	1.3
241.05151	5.5
241.08687	3.8
253.05101	8.7
254.05879	71.7
255.06239	4.7
269.04620	33.8
269.08212	100.0
269.17780	2.4
269.21252	26.3
269.24838	6.2
270.04916	3.1
270.08557	6.3
270.21780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0674
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
59.01267	2.0
62.62674	0.7
69.55737	0.7
69.60152	5.5
87.00778	7.4
97.04034	0.7
97.06493	1.0
109.02888	0.7
117.03360	0.8
121.02868	1.2
122.03644	3.8
124.01605	0.9
131.04976	1.9
136.01620	3.5
136.05211	2.7
137.02345	1.4
137.06018	16.2
148.05238	32.6
149.02420	4.1
149.05574	1.6
150.03078	1.0
151.03961	2.1
163.07585	1.9
164.04779	4.1
168.04213	0.8
173.99922	0.6
179.07111	19.8
180.07416	1.0
192.04230	8.9
197.07899	0.7
207.06619	28.0
208.06940	1.1
209.04539	47.0
210.04881	2.6
225.07759	5.1
251.05663	1.9
269.06744	100.0
269.21317	11.9
269.24869	2.5
270.07147	5.6
273.42407	0.8
284.59012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0824
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.14563	0.5
57.55637	0.5
59.01217	1.3
59.19747	0.5
63.84129	0.5
69.47630	4.5
71.01228	0.8
76.82110	0.5
85.06416	0.5
85.98051	0.5
87.01292	0.5
89.02325	0.8
107.01283	1.1
117.03367	4.1
117.97370	0.5
132.98033	1.0
149.02318	1.9
151.00243	1.4
159.04440	0.6
167.04909	1.0
167.94597	0.5
169.02843	0.7
183.04407	0.7
186.95555	3.4
195.04449	1.4
197.05939	0.5
211.03998	62.7
212.04335	3.3
225.05559	1.4
225.22198	0.8
239.03508	93.5
240.03838	5.6
254.05882	100.0
255.06194	6.9
269.04663	19.6
269.08237	67.0
269.17902	1.2
269.21277	16.7
269.24872	4.4
270.04987	2.4
270.08575	5.2
270.21545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0462
Annotation	2-(2,4-dihydroxyphenyl)-5,6-methylenedioxybenzofuran
Peak:m/z	Relative Intensity
56.43167	0.3
59.01263	0.6
63.02279	0.4
65.00204	0.3
67.01794	0.3
71.00851	0.7
71.82520	0.2
92.91438	0.3
93.03402	0.4
95.86399	0.3
99.67542	0.3
108.55894	0.3
117.03365	1.1
118.78497	0.3
129.07019	1.2
133.02885	0.3
141.06963	1.3
143.04997	1.6
143.43629	0.3
145.02904	0.4
145.06479	0.7
152.06252	0.7
153.07048	1.4
154.04245	0.3
155.04971	1.2
159.04500	0.3
167.05005	1.5
168.05705	0.5
169.06548	5.5
171.04466	4.2
172.04910	0.4
173.02415	0.4
173.05983	0.9
183.04495	0.4
185.06053	2.0
195.04477	1.9
196.05276	12.6
197.06058	27.2
198.03224	2.1
198.06355	1.7
199.03967	7.4
200.04285	0.5
205.19385	0.3
211.04045	0.9
213.05547	5.7
213.07387	0.5
214.05943	0.3
223.04013	0.3
224.04779	0.3
225.05614	0.8
225.13788	0.4
240.04248	1.7
241.05080	100.0
242.05411	6.0
251.03580	0.8
269.04605	74.4
269.21252	3.4
269.24823	1.0
270.04950	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	269.0462
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01267	0.3
63.02279	1.3
64.60184	0.1
65.00208	3.6
70.57770	0.1
70.58121	0.3
71.01231	0.1
71.10484	0.1
73.00957	0.1
78.20956	0.1
81.03325	0.2
83.01270	1.5
84.91203	0.1
89.72035	0.1
93.03371	0.3
95.04951	0.2
105.03358	0.9
107.01293	5.6
108.01617	0.2
117.03371	21.4
118.03722	0.8
119.04905	0.1
121.02860	1.3
122.03296	0.2
124.79720	0.1
129.73415	0.1
132.99062	0.1
133.02898	0.3
133.26607	0.1
141.03400	0.2
149.02379	8.4
150.02725	0.4
151.00307	10.3
151.19374	0.1
152.00703	0.3
155.04988	0.2
156.05534	0.1
157.06514	0.2
159.04456	2.2
169.01344	0.3
169.06569	0.4
180.05792	0.5
181.06540	1.5
183.04486	1.5
185.02383	0.5
186.95506	0.2
193.80855	0.1
196.05237	0.5
197.06050	0.7
201.05554	1.6
211.68254	0.2
213.05508	0.4
224.04779	0.4
225.05573	3.9
225.14966	0.5
226.05830	0.2
227.03477	1.8
241.05060	0.5
251.03575	0.1
269.04605	100.0
269.21289	2.0
269.24847	0.4
270.04953	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	269.0462
Annotation	Genistein
Peak:m/z	Relative Intensity
53.51904	0.2
57.03305	0.2
57.62231	0.2
59.01254	0.7
61.98730	0.2
63.02278	1.4
65.00194	0.9
69.63057	1.2
70.85387	0.2
83.01270	0.3
89.00228	0.3
91.01791	1.7
107.01288	1.5
117.03374	0.6
118.44400	0.2
121.58605	0.2
123.04435	0.4
132.02074	0.2
133.02884	4.6
135.00813	0.9
135.04434	0.9
140.53708	0.2
143.04942	0.4
148.01668	0.2
149.02367	0.5
151.00296	0.6
153.01932	0.5
155.04956	0.6
157.02907	0.5
159.04477	1.9
161.02379	0.3
165.12846	0.2
167.04938	0.6
169.06558	0.8
171.04456	0.4
173.06023	0.4
180.05772	0.8
181.06534	1.6
181.12218	0.3
182.03683	0.3
183.04427	1.3
184.05193	0.2
184.26334	0.2
185.06023	0.4
195.04457	1.0
196.05254	1.2
196.22545	0.2
197.06027	1.7
199.03966	0.9
201.05536	1.0
208.05276	0.2
209.11838	0.3
211.03981	1.1
212.04663	0.3
213.05565	5.7
214.05969	0.4
223.03992	0.6
224.04839	1.9
225.05504	1.7
226.02742	1.4
227.03462	0.4
239.03540	0.5
240.04210	1.0
241.05103	5.2
242.05402	0.4
252.04318	0.3
267.03033	0.3
268.03766	0.5
269.04614	100.0
269.21268	1.7
269.24493	0.4
270.04947	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	269.0462
Annotation	Genistein
Peak:m/z	Relative Intensity
53.80278	0.8
59.01253	3.1
62.96300	14.1
65.00214	2.0
65.53053	0.9
71.04876	1.2
75.00763	1.3
76.79436	0.9
78.13112	0.8
80.02567	3.8
83.01305	1.2
87.00796	1.1
89.02329	1.3
90.97036	1.2
91.01817	1.5
93.03359	1.2
95.01242	0.9
98.19824	1.9
103.60832	0.9
107.01290	2.6
108.02084	26.1
117.03394	10.4
121.02872	3.8
129.06973	0.8
132.98093	2.7
133.02873	2.2
135.00778	1.1
141.06999	2.1
143.04948	2.9
145.02922	2.1
147.00807	1.2
148.01494	1.3
149.02373	3.9
151.00323	4.6
153.01913	1.1
155.04951	1.4
159.04437	1.0
161.02441	2.0
167.04939	2.2
169.06537	10.8
170.07120	1.1
171.04453	4.8
173.06041	3.1
181.06609	1.6
182.03671	1.7
183.04456	2.7
185.06032	4.1
186.95572	12.3
195.04565	4.5
196.05292	13.7
197.06065	42.3
198.03210	3.5
198.06433	3.3
199.03979	7.0
201.05565	2.7
207.17603	1.0
209.19148	1.1
211.03978	5.0
212.04741	2.0
213.05583	21.4
214.05954	1.3
223.04028	2.2
224.04765	2.4
225.05589	11.4
225.22194	2.9
226.02704	1.2
226.05959	1.3
226.93285	1.2
227.03542	3.6
239.03627	1.3
240.04292	21.0
240.06654	1.3
241.05084	71.0
242.05446	4.0
253.18210	1.2
269.04626	100.0
269.07916	3.7
269.12994	7.2
269.17728	4.9
269.21289	33.6
269.24857	8.2
270.05032	7.1
270.07504	1.2
270.20874	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	267.1242
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03339	3.1
59.01265	100.0
60.01599	1.1
71.01276	2.0
71.04928	1.7
71.59740	1.1
71.87021	0.7
73.02866	1.8
83.04913	1.6
85.02874	1.1
87.00797	2.4
89.02332	1.1
97.27573	0.6
101.02359	1.0
104.12010	0.7
146.56067	0.6
161.13332	2.2
162.32060	0.7
163.11235	1.4
205.12421	1.4
207.10234	3.3
213.07797	0.9
223.13399	55.4
224.13826	3.2
239.07236	1.0
267.06656	3.4
267.12695	5.8
267.15741	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	269.0459
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
57.03321	0.3
59.01254	0.9
61.98718	0.4
65.00185	0.3
67.01784	0.5
68.99686	0.5
69.84444	1.8
71.01267	0.4
71.04924	0.3
75.00744	0.4
89.02344	0.3
89.03863	0.3
91.01810	0.7
95.01284	9.9
95.04945	0.3
107.01273	0.7
108.02079	1.2
109.02887	0.7
117.03374	3.2
119.01318	1.1
121.02872	0.5
122.93690	0.3
123.00804	10.2
123.04403	1.9
130.04193	0.7
132.02145	0.5
132.98166	0.4
133.02856	7.3
134.03220	0.5
135.00870	0.4
139.05437	0.4
141.07011	1.6
143.04959	2.0
145.02878	6.8
145.06534	1.4
146.03412	0.3
147.00806	0.8
147.04436	0.4
149.02339	1.0
151.00308	0.9
154.04150	0.5
155.05006	0.6
157.06511	1.1
158.03700	0.8
159.04495	0.8
160.01627	0.4
167.04974	2.2
168.05615	0.6
169.06541	3.8
170.03696	0.9
171.04442	4.1
173.02330	0.4
173.06033	1.0
179.04945	0.4
180.05801	0.5
181.06537	0.6
182.03680	2.6
183.04500	2.1
184.05104	0.6
185.02403	0.9
185.06041	6.4
186.06430	0.4
186.95583	2.2
195.04483	2.5
195.07613	0.3
196.05302	2.1
197.02396	0.5
197.06052	5.6
198.03198	2.9
199.03955	3.3
201.05539	2.2
207.04507	0.6
207.13783	0.3
210.03192	0.6
211.03999	2.7
212.04674	1.2
213.05565	10.7
214.05925	0.6
223.04010	1.6
224.04761	1.1
225.05579	4.7
225.22163	0.5
226.02725	7.2
226.06032	0.4
227.03378	1.9
239.03503	0.7
240.04250	1.2
240.18480	0.3
241.05084	15.7
241.08914	0.8
242.05363	1.4
251.03549	1.0
254.02231	4.2
254.05865	0.9
255.02954	1.3
269.04602	100.0
269.21283	9.5
269.24811	2.4
270.04977	7.7
270.21640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
59.01262	100.0
61.98714	4.6
65.25816	1.0
69.41997	9.0
71.01264	18.2
72.99194	1.4
73.02834	11.7
74.04630	1.0
83.01266	2.6
85.02843	7.4
87.00783	1.1
89.02338	11.1
95.01221	1.5
98.19816	1.8
99.00830	1.2
101.02350	18.1
105.05488	3.2
113.02354	10.0
119.03449	3.2
136.55151	1.0
143.03450	1.2
159.02963	2.0
161.04497	14.2
163.08739	1.1
179.05553	2.6
207.08707	3.2
235.10031	1.3
267.10895	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	267.1243
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03341	3.2
59.01267	100.0
60.01614	0.8
60.99205	0.5
61.98748	0.5
66.20061	0.4
69.31110	3.6
69.31522	1.3
71.01257	0.4
71.04913	1.6
73.02847	0.6
83.04922	1.4
84.76736	0.4
85.02870	0.6
87.00784	1.8
108.66499	0.4
110.01578	0.4
127.29860	0.4
161.09735	0.9
161.13307	2.4
163.11235	1.6
187.11371	0.6
192.93658	0.4
205.12500	0.7
207.10298	2.7
223.13411	44.1
224.13747	3.3
267.12393	6.0
267.15878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0668
Annotation	Dorstegin
Peak:m/z	Relative Intensity
55.05417	0.9
59.00998	1.4
59.01266	17.8
69.10912	1.0
69.90129	0.9
71.01270	4.7
71.62201	1.3
73.02825	2.2
82.98930	1.0
84.35448	0.9
85.02835	1.7
87.00777	1.9
89.02351	1.5
96.95890	1.7
101.02340	3.8
105.05441	1.1
113.02342	1.7
121.02880	2.3
161.04526	2.2
197.06056	100.0
198.06337	6.8
209.04474	2.2
223.07710	6.3
223.17014	3.4
239.03578	1.3
252.04352	1.6
267.06659	44.3
267.10916	2.3
267.16031	3.2
267.19568	3.0
268.07068	4.1
287.74933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.073
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
50.80125	1.6
50.87412	1.6
53.97834	1.8
57.03327	3.9
59.01264	27.8
70.69823	5.8
71.01270	30.9
72.99207	4.3
73.02835	4.1
73.80078	1.7
75.00764	19.7
78.95802	3.4
83.01286	1.7
85.02852	23.4
87.00776	36.2
89.02332	13.7
92.95886	7.7
95.01288	4.7
96.95918	9.1
98.19920	1.8
99.00796	6.4
99.59383	1.6
101.02328	10.4
103.00230	2.2
105.01823	7.7
111.00798	2.7
113.02366	29.6
117.01855	3.5
118.97497	2.5
119.03400	2.1
120.95392	2.7
129.01851	5.0
134.96947	13.8
136.93959	8.9
142.97484	2.7
157.01407	1.7
158.96994	2.6
178.94907	2.1
180.93871	2.3
188.98071	2.7
206.94630	7.5
206.99104	18.8
207.99379	2.7
248.97385	1.9
249.06218	4.9
267.07260	100.0
268.07584	5.3
271.60260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1816
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03336	1.7
59.01266	31.4
65.51938	0.9
69.03334	1.7
70.82903	2.5
70.83251	2.2
71.01271	3.5
78.95799	17.8
83.04884	1.5
85.02841	1.6
94.80821	1.0
96.95917	2.4
97.39851	1.1
101.02287	2.5
113.02323	1.3
149.09698	2.8
149.13223	1.4
151.11206	2.0
161.04526	2.7
163.03957	2.0
167.10721	35.0
167.12103	2.1
168.11050	1.7
177.09160	2.0
190.73903	0.9
195.10255	10.8
203.18108	2.7
221.15459	1.9
221.26669	1.0
247.17056	11.8
265.15488	4.1
265.18158	100.0
266.18488	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	265.2178
Annotation	Hydroprene
Peak:m/z	Relative Intensity
50.43398	0.5
54.01135	0.5
59.01264	5.3
67.60701	0.5
69.91689	0.5
71.01263	0.8
71.32348	1.5
75.61292	0.5
85.14989	0.5
96.95914	8.2
106.07739	0.5
141.52371	0.5
145.00024	0.6
163.03934	1.0
178.06374	0.5
223.18036	0.5
265.15115	6.3
265.21765	100.0
266.22098	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	267.0305
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
59.01266	0.6
67.03436	0.2
69.00350	0.2
71.13387	0.4
90.66238	0.2
91.01798	1.2
98.43994	0.2
101.02337	0.2
104.57062	0.2
135.00789	1.7
139.05507	0.3
153.01917	0.5
167.04955	0.9
183.04451	0.7
195.04459	1.9
210.03221	0.3
211.03987	5.1
212.04387	0.2
222.03242	0.5
223.04138	1.2
239.01071	0.3
239.03493	4.6
240.03717	0.2
246.96007	0.2
266.02252	16.8
267.03024	100.0
268.03351	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	265.124
Annotation	Magnolol
Peak:m/z	Relative Intensity
59.01265	1.9
68.64445	0.2
71.61835	0.3
73.02869	0.2
93.03374	0.4
101.02333	0.3
119.04961	0.5
146.19728	0.2
153.41266	0.3
169.95116	0.2
193.04445	1.0
197.06073	0.5
209.08144	0.2
221.15448	0.3
223.07628	4.0
224.08432	8.9
225.08710	0.6
242.31169	0.2
245.09734	5.4
246.10092	0.7
247.11314	15.4
248.11790	1.4
265.12381	100.0
266.12717	8.3
284.22211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08096	0.2
59.01252	1.4
69.33925	2.7
71.01270	0.3
79.95611	1.8
85.02823	0.3
95.95118	0.3
96.95913	100.0
97.95901	0.3
241.18950	0.3
265.14838	96.0
266.15176	6.2
284.59119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0724
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
52.33124	2.5
53.99864	2.3
56.15432	2.1
57.03350	2.4
58.00488	4.9
59.01263	18.7
69.36761	9.7
69.37188	13.1
71.01267	8.7
73.02833	2.7
85.02811	3.1
86.05936	2.1
88.03944	6.8
96.95937	2.7
109.14220	2.3
123.00844	3.1
123.04433	5.9
124.01569	2.7
132.02959	11.5
133.02946	2.7
134.03661	2.7
135.04443	5.1
137.02316	3.3
145.02905	5.4
147.04466	32.4
148.05243	22.1
149.05978	10.3
150.06778	2.9
159.04446	20.0
160.01587	8.6
160.05212	13.7
161.02412	5.9
161.04454	3.1
162.06848	4.5
163.03943	15.0
169.02850	2.5
170.03697	4.0
171.04495	3.2
173.02397	2.4
174.03113	18.4
175.03998	21.6
176.04733	10.0
177.05525	9.6
178.06317	49.5
187.04065	13.5
188.04765	85.5
189.05495	11.0
190.02641	4.7
191.03461	5.3
191.07108	5.2
193.05000	2.9
193.08659	25.0
203.03519	2.6
203.07114	14.6
206.05873	31.2
221.08194	100.0
222.08464	9.0
265.07248	6.9
265.14603	2.5
266.06821	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1239
Annotation	Magnolol
Peak:m/z	Relative Intensity
59.01261	1.5
69.61115	0.1
71.01256	0.2
71.32344	0.3
79.95641	0.5
85.02834	0.2
89.02377	0.2
91.05447	0.2
93.63278	0.1
96.10846	0.1
96.95909	22.5
101.02336	0.2
107.96047	0.1
119.04938	0.3
137.33241	0.1
139.59299	0.1
139.75740	0.1
163.03960	0.2
223.07666	0.6
224.08337	0.2
238.10036	0.2
243.08101	0.2
245.09729	5.7
246.10098	0.5
247.11305	15.7
248.11620	1.4
265.12375	100.0
265.14859	16.6
266.12711	8.7
266.15176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61905	0.6
56.29024	0.7
59.01275	0.8
60.11045	0.6
65.85371	0.7
66.12547	0.6
69.41309	1.2
69.41645	6.4
70.02866	18.0
71.01258	3.1
91.05433	4.9
96.99209	5.0
114.01881	100.0
115.02230	1.7
117.03378	7.7
117.06962	0.9
118.06622	1.0
129.01851	1.5
134.06039	24.6
135.06409	0.7
144.08121	1.7
146.04535	4.3
146.06030	1.6
148.55098	0.7
157.95915	0.7
160.07654	1.8
188.07137	4.4
193.90651	0.7
196.64702	0.7
205.11871	0.8
220.14285	1.2
232.06161	16.3
264.08817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2022
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.93547	0.3
58.34247	0.3
59.01265	4.5
70.09258	0.7
70.09660	0.6
71.01270	1.1
85.02830	0.3
98.19774	0.3
108.16647	0.3
113.02343	0.4
114.39790	0.3
130.68239	0.3
131.03391	0.4
138.56148	0.3
141.75031	0.3
169.86771	0.3
176.32378	0.3
219.21280	0.5
222.56039	0.3
228.68532	0.3
245.19101	0.5
261.18689	0.6
263.20209	100.0
264.20563	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	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26759	0.4
58.62708	0.4
59.01267	100.0
60.01614	0.7
60.35962	0.4
69.46973	2.5
69.47400	1.2
73.02841	0.7
73.37285	0.4
77.10742	0.4
80.23475	0.4
101.02345	0.7
124.28527	0.5
129.60422	0.5
135.35101	0.4
171.74666	0.4
182.23334	0.4
190.54478	0.4
191.10812	0.5
227.56584	0.4
240.17557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1293
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
56.42978	1.9
57.03341	3.7
59.01265	49.1
65.19473	2.0
69.91377	5.1
69.91788	4.9
71.01273	15.8
74.63979	1.7
75.56663	1.6
80.02583	2.1
83.04937	4.7
85.02861	2.0
95.04939	1.9
97.02869	10.1
97.06498	2.3
104.00192	1.6
105.07002	3.3
107.04895	4.2
108.05715	7.4
109.02864	9.0
109.06492	3.9
111.04431	13.4
112.89040	1.9
113.06004	13.8
119.08591	6.0
121.06540	2.7
122.03651	14.7
123.04419	1.9
123.08120	8.5
124.01580	1.8
125.06013	17.7
125.09677	1.7
135.04440	33.2
135.08078	4.6
136.05273	15.6
137.05962	8.2
138.06813	23.8
139.07591	37.9
140.07918	2.1
147.04414	4.0
148.05234	21.8
149.06032	11.2
151.07587	84.1
152.04736	12.5
152.08383	50.2
153.09137	16.5
159.11757	4.1
161.05995	3.7
161.09644	8.8
163.07570	15.8
164.08194	1.7
165.05540	1.9
167.07123	4.5
173.06097	4.3
175.03935	2.6
175.07632	2.8
179.07024	1.7
185.09668	3.2
188.08365	3.6
189.09247	8.0
190.06339	6.4
191.10751	35.5
192.11014	2.4
201.12836	32.7
202.13139	4.1
203.10732	25.5
204.11540	68.8
205.11929	5.3
216.07944	5.2
219.10440	23.2
219.13899	100.0
220.14265	8.5
245.11879	13.7
248.10542	2.6
263.12924	46.5
264.13168	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1137
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
52.70084	0.6
59.01274	2.1
61.98716	1.2
65.78501	0.7
70.28732	2.7
71.01282	1.9
73.08400	0.6
98.19865	0.8
108.01980	0.6
119.04955	0.8
122.03658	1.3
125.09624	1.2
130.04247	0.8
131.04909	1.0
132.04439	0.7
135.04442	2.6
136.40903	0.6
140.36951	0.6
145.02887	1.4
146.03658	2.7
147.04498	3.6
148.05290	3.2
149.06023	100.0
150.06351	4.4
159.04449	10.5
161.02437	7.4
161.05975	3.8
163.03978	2.7
163.07626	0.8
172.05299	2.2
173.06030	3.2
174.03195	4.8
174.06746	1.1
175.03973	18.2
176.04730	6.9
176.63443	0.7
177.05431	1.8
184.05284	0.7
185.06049	11.1
186.06834	10.6
187.04012	4.0
187.07562	4.2
188.04733	2.1
189.05562	15.4
189.09171	10.9
190.05984	1.4
191.03482	2.7
191.07166	1.0
199.04007	4.9
199.07631	5.0
200.08461	3.9
201.09102	3.7
202.06358	2.8
203.07118	4.0
213.05588	3.5
214.06351	13.5
215.06923	1.5
215.10741	5.1
216.11153	0.7
217.05334	1.2
217.08713	9.2
218.09418	1.7
227.07098	0.7
243.10286	10.8
244.10660	0.7
261.11365	41.7
261.22272	1.9
262.11710	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	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	1.2
69.33835	0.4
69.34239	1.5
71.01269	1.6
73.02848	0.6
76.04102	0.2
85.02877	0.3
97.73618	0.2
101.02374	0.6
113.02380	0.4
113.75100	0.2
119.03472	0.2
124.01624	0.3
135.04449	2.6
147.04424	0.3
148.05292	0.8
149.06018	0.5
151.68205	0.2
161.04541	0.3
190.06403	0.8
191.10736	3.2
192.11302	0.3
196.65585	0.2
200.83824	0.2
216.07983	0.4
219.10280	1.5
219.13885	0.3
238.37935	0.2
245.11917	0.7
263.12985	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	261.1138
Annotation	Avicennone F
Peak:m/z	Relative Intensity
57.03329	0.7
59.01268	0.5
60.99441	0.4
62.75142	0.5
63.99067	0.4
69.60327	1.9
69.60744	1.3
71.04906	2.7
88.83694	0.5
89.01837	0.4
99.04428	1.6
102.45384	0.4
107.04917	0.6
108.02069	0.5
109.02873	2.1
113.06004	0.7
119.04949	0.6
121.02870	0.6
122.03652	0.8
129.03400	0.8
131.04987	0.7
133.02953	0.7
135.04457	3.4
143.04987	1.4
145.02879	0.8
145.06577	1.1
146.03671	42.8
147.04491	10.0
148.05270	0.8
149.06021	42.3
150.06369	2.2
157.06552	3.4
159.04466	27.1
160.05206	3.7
161.02454	2.3
161.06030	13.5
162.03154	3.2
162.06453	0.7
163.03961	28.5
163.07555	0.8
164.04350	1.2
167.04947	0.5
171.04454	0.9
172.05196	3.0
173.02454	0.7
173.06053	7.2
174.03172	1.9
174.06689	0.8
175.03981	6.7
175.07603	19.5
176.04745	2.1
176.08003	1.0
177.05525	0.6
183.04539	0.8
185.06059	16.4
186.06686	2.6
187.03983	26.9
187.07568	2.6
188.04761	62.7
189.05464	7.6
189.09154	1.7
190.06328	9.2
191.03497	1.0
191.07100	8.2
192.03500	0.5
199.03983	0.6
199.07608	0.9
200.08360	0.7
201.05563	1.1
201.09274	0.5
202.06331	1.8
203.07123	80.7
204.07498	3.5
213.05573	0.9
213.09138	0.7
214.06345	1.2
215.10869	3.3
220.07381	5.9
227.07085	0.5
228.07945	1.5
231.10318	0.6
233.11714	0.7
243.10289	4.5
246.09068	0.9
261.11365	100.0
262.11731	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	261.1137
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
59.01262	4.6
69.19112	1.2
71.01264	2.4
71.42725	1.2
71.43073	3.1
79.41056	1.3
79.73508	1.2
97.06487	4.3
125.09669	2.0
135.04457	7.6
137.02394	3.0
145.02881	3.6
146.03636	3.3
147.04466	4.4
149.06015	10.4
159.04468	9.2
161.02361	2.7
161.06061	3.4
162.03160	2.4
163.02673	2.2
163.03954	23.2
164.04739	41.5
165.05119	1.7
171.04510	1.7
173.02365	4.5
173.06024	13.6
173.09708	1.9
174.03215	7.1
174.06731	2.8
175.03979	13.7
175.07625	1.8
176.04678	3.2
177.05522	12.6
178.06039	1.5
179.95322	1.4
185.06000	2.6
186.06833	3.3
187.03981	2.8
187.07605	5.3
188.04736	17.2
188.08368	2.8
189.05557	22.7
189.09137	3.2
189.75917	1.3
190.03267	2.8
190.06064	2.7
191.03441	3.6
191.07187	2.3
199.03972	2.1
199.07642	4.0
201.05519	2.8
201.09210	2.1
202.06334	23.7
203.03458	3.9
203.07149	12.8
204.04312	1.6
204.07736	3.3
205.08755	1.7
206.06372	2.5
212.02777	1.3
213.05426	2.2
214.06317	3.5
215.10738	3.7
217.05104	5.4
217.08694	37.5
217.12274	4.9
218.06424	2.5
218.09041	3.7
219.06659	1.2
220.07388	8.9
231.06651	2.6
232.07420	33.5
232.09727	2.0
233.08006	2.1
233.11844	5.2
243.10336	5.6
261.07312	11.3
261.11343	100.0
261.22217	6.6
262.11673	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	261.1136
Annotation	Chlorantene C
Peak:m/z	Relative Intensity
56.49627	0.9
57.03344	1.6
59.01254	2.7
61.98711	1.0
69.63471	6.1
70.02847	0.9
71.01274	1.7
71.04909	43.6
74.02367	4.9
81.03310	1.0
90.37531	0.9
98.83866	0.9
99.04418	26.2
100.04742	1.4
102.33122	0.9
108.02079	2.4
116.03470	2.4
117.07002	0.9
119.04896	0.9
125.09651	2.1
128.01465	1.1
132.04472	2.0
132.10355	0.8
133.06529	4.1
135.04478	1.8
146.03683	1.1
147.04471	1.2
148.05217	3.4
149.06032	50.6
150.06340	2.4
150.09270	0.9
159.04459	3.6
159.08018	1.2
161.06032	24.0
162.06822	37.0
163.03998	1.8
163.07190	1.7
164.04735	2.2
173.06067	1.7
174.06705	1.2
175.07596	1.3
176.04762	4.5
185.06033	1.8
186.06805	1.4
187.03879	1.7
187.07642	1.4
187.09729	1.9
188.04726	1.7
189.05521	4.5
189.09171	2.8
190.06340	9.6
192.20515	1.0
199.07556	1.5
200.08347	1.9
201.05484	1.0
201.09125	1.7
202.06380	4.6
203.07089	3.8
205.08803	1.8
207.82179	0.9
215.10794	6.9
225.09134	1.6
228.07903	7.1
231.10214	1.1
233.11841	32.7
234.12154	2.3
241.08772	1.2
243.10289	100.0
244.10716	6.9
261.11362	91.6
261.22302	3.6
262.11624	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	259.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.8
58.18931	1.0
59.01258	5.1
69.47108	10.6
73.02850	1.1
83.04922	3.2
115.52351	1.2
116.41209	1.1
125.09658	1.9
127.11259	3.2
136.78751	1.1
141.12840	1.1
153.12715	1.2
159.04449	5.2
169.12376	1.6
171.10223	10.8
172.10616	1.1
179.10770	2.4
185.06099	6.1
185.11739	2.0
197.11826	10.3
198.12341	1.6
199.07570	2.2
213.11304	4.5
215.10811	11.4
215.12856	100.0
216.13219	5.8
231.10185	1.7
259.09674	5.1
259.11969	7.1
259.19086	1.3
260.10303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0887
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
58.02852	2.1
59.01257	4.7
60.16806	0.7
70.02870	10.5
70.63133	1.7
70.63467	0.9
72.04425	5.0
73.27189	0.7
74.02364	100.0
75.02702	0.9
84.04434	0.8
98.02383	24.6
116.03451	62.4
117.03817	1.5
128.03461	9.1
131.03680	1.8
132.04485	31.8
144.04509	6.5
157.07642	1.5
158.06003	1.6
173.07341	1.2
175.08725	2.2
184.34206	0.7
201.06694	14.5
202.07010	0.9
219.07724	4.6
243.07697	1.1
254.85117	0.7
261.08856	42.4
261.22296	0.7
262.09149	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	261.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07637	0.5
50.49313	0.6
59.01264	3.4
69.03343	0.7
71.01286	1.1
71.60563	0.5
83.04926	0.7
91.05424	0.6
99.04427	0.7
104.35289	0.5
105.73256	0.7
113.05988	1.0
125.09627	1.4
127.27128	0.6
136.93909	0.7
146.03635	1.4
147.11725	4.6
149.06020	1.4
149.13292	1.1
163.03870	1.3
164.04716	1.8
173.02400	0.6
177.09187	0.6
178.95071	0.7
179.10709	0.9
189.05345	2.3
189.09129	0.8
191.06949	0.9
193.12308	5.2
195.85667	0.6
197.90269	1.3
199.07483	1.4
201.08981	0.9
203.06924	2.6
213.08943	4.7
215.10490	5.8
217.08636	1.1
217.12090	12.5
218.12537	1.0
219.10039	1.0
229.08459	3.9
231.10112	3.4
233.07851	1.0
233.11646	0.8
235.13133	2.9
243.10085	0.7
247.07133	1.1
247.09541	16.6
248.09781	1.4
249.11113	19.3
250.11363	1.4
253.85783	0.6
261.11133	100.0
261.22119	4.1
262.11511	5.0
277.10599	1.7
279.12195	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	259.098
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
51.68089	0.3
52.06992	0.3
59.01257	0.6
64.60918	0.3
71.47468	0.6
71.47822	0.4
132.66425	0.3
133.06483	0.9
145.02885	3.2
146.07239	0.5
148.05247	2.0
149.06007	0.6
156.05736	0.5
157.06520	0.7
158.03630	0.5
159.04414	2.9
159.08133	0.6
161.06017	2.1
162.06851	2.3
171.04453	0.4
172.05278	0.5
173.06024	2.3
174.06828	15.8
175.07159	0.8
184.05580	0.3
185.06007	0.9
186.06860	2.1
189.05551	0.4
197.09692	8.0
198.10052	0.8
199.07631	4.5
200.08356	2.2
213.09198	1.5
214.09949	0.6
215.10768	100.0
216.11107	7.2
231.10246	2.2
259.09805	40.2
260.10104	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	259.098
Annotation	6-(1-Ethoxyethyl)plumbagin
Peak:m/z	Relative Intensity
58.14824	0.7
59.01254	2.5
59.59072	0.7
61.98711	0.9
69.33984	8.0
71.04911	8.1
73.02834	12.9
83.04910	8.2
97.02853	0.9
98.19733	1.6
99.04414	1.6
108.02036	0.9
109.02856	8.3
111.04419	4.6
115.05450	1.0
117.03410	1.7
119.04929	0.7
121.02852	0.9
130.04160	1.2
131.04999	3.6
133.02866	0.9
134.03635	2.1
135.04451	1.6
136.91948	0.7
137.02330	1.4
137.05927	0.8
143.04991	1.6
145.02846	3.8
146.03670	57.0
147.04271	3.3
148.01640	0.9
148.05212	2.2
150.03172	1.3
157.06517	1.2
158.03662	2.3
159.04462	33.7
160.05217	5.0
161.02422	5.2
161.06024	61.7
162.03157	2.0
162.06364	3.8
172.05159	1.0
173.02449	0.8
173.06018	5.3
174.03098	1.1
175.03941	3.1
175.07634	7.1
183.04443	2.7
184.05229	5.7
185.06053	28.7
186.06468	1.2
187.03975	100.0
188.04744	85.7
189.05302	6.7
191.07144	1.7
194.02255	1.4
201.05560	3.4
202.06297	4.8
203.03427	1.6
203.07118	46.9
204.07489	2.9
211.03964	3.5
212.04764	2.1
213.09227	1.3
215.07138	2.6
217.08670	3.4
218.05797	8.4
226.06454	1.1
231.10255	4.7
240.21251	0.8
241.08707	11.7
242.08972	1.5
259.09802	97.2
260.10141	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1762
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03328	1.1
59.01252	2.1
61.98705	1.1
71.04128	0.6
71.60785	1.1
83.04903	1.1
85.30058	0.6
113.52969	0.6
116.92796	0.9
120.49240	0.6
125.02394	1.2
154.11623	0.6
192.92628	0.7
193.16106	0.8
195.17528	38.1
196.16283	0.6
196.17793	3.2
196.92297	0.9
197.90211	2.9
203.97263	1.7
213.05515	1.0
213.18509	1.3
215.91235	1.1
219.84633	1.0
221.84239	2.9
221.92926	0.6
239.16556	31.6
240.16879	3.7
257.00522	0.8
257.04568	1.7
257.17624	100.0
257.23694	8.7
257.94839	1.0
258.17978	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	257.2125
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.01266	1.9
71.62804	0.9
83.04921	1.5
89.38081	0.9
125.02380	2.4
150.81686	0.9
158.93774	1.1
207.17592	1.4
209.19131	4.1
211.20667	68.2
212.21002	4.9
239.20319	1.4
257.04413	1.3
257.21286	100.0
257.23914	9.8
258.21664	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	259.0982
Annotation	Hemigossypol
Peak:m/z	Relative Intensity
59.01263	1.8
69.03347	1.8
70.59318	1.4
97.02863	1.6
103.10014	0.4
109.02865	1.5
111.04433	0.5
114.05769	0.4
116.92800	0.4
133.02866	1.1
134.03647	1.3
135.04431	0.7
145.02902	0.5
147.04437	0.7
147.08084	1.5
148.05214	1.4
149.06038	2.8
159.04471	3.1
159.08104	0.4
161.02280	0.4
161.06038	1.1
162.06798	1.4
172.05205	0.9
173.06012	3.8
173.07187	0.5
174.03224	0.5
174.06831	10.4
175.04053	0.6
175.07617	10.0
176.08020	0.9
187.07671	0.7
188.04742	0.7
189.05551	5.7
189.09097	2.0
190.06313	7.5
191.06686	0.5
192.75156	0.4
197.09669	1.1
198.06903	0.8
201.05542	1.0
202.06335	0.5
203.07080	1.0
203.10767	1.6
213.09215	0.6
215.03531	0.4
215.07306	0.4
215.10771	10.7
216.07861	0.5
216.11124	0.7
218.05815	0.4
227.10793	0.5
230.05847	0.8
231.10286	100.0
232.10648	7.5
244.07417	0.5
259.02524	1.1
259.09805	45.8
260.10187	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	255.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84273	0.3
53.29673	0.4
53.75968	0.4
59.01290	0.5
60.78903	0.4
66.56904	0.4
67.01085	0.4
67.22852	0.4
70.47760	1.5
70.48119	0.5
77.09328	0.3
98.31239	0.4
164.96114	0.4
167.04965	0.6
170.03734	0.5
171.04417	0.5
172.05313	2.0
184.05203	0.5
195.04414	3.2
195.07492	0.5
196.05276	7.6
197.05576	0.8
198.03230	1.2
211.03993	2.8
212.04759	8.8
213.05273	0.4
223.04044	0.5
234.51570	0.4
239.03442	1.8
240.04298	89.4
241.04634	7.8
255.06656	100.0
255.23322	13.5
256.06985	11.4
256.23599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
55.28641	0.6
59.01263	100.0
60.01593	1.7
61.98708	1.7
71.04917	0.6
71.09362	1.5
80.96117	0.6
87.04419	0.8
90.62962	0.6
99.00793	1.2
103.56466	0.5
116.46235	0.6
125.02387	1.0
125.09637	1.0
149.48056	0.6
163.11232	1.4
181.12285	4.9
183.10175	0.9
196.92642	0.6
203.97537	0.7
207.10225	0.7
219.82538	0.6
225.11409	2.2
256.23676	0.9
257.04550	1.3
257.08130	2.2
257.13992	35.8
257.17480	3.2
257.23935	7.3
258.14267	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03093	2.0
57.03337	24.9
57.47284	1.6
59.01253	1.9
64.39307	1.9
65.99787	1.8
69.49824	14.7
75.00762	2.7
78.62998	1.6
79.63459	1.9
83.04903	6.0
86.69140	1.8
93.03335	3.1
97.06435	2.4
98.03632	12.2
101.02357	4.2
115.06503	1.9
123.08089	4.9
124.05225	9.2
137.09621	9.4
138.06807	6.2
139.07591	32.3
149.09608	3.4
153.09160	19.3
154.30867	1.7
155.03355	3.3
155.10722	98.7
156.11046	5.5
165.12799	2.3
185.15388	2.2
195.13911	20.2
199.09715	5.4
201.52278	1.7
213.14966	63.1
214.15308	4.6
257.13977	100.0
257.23938	9.4
258.14359	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	250.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32940	0.3
50.69400	0.3
59.01264	1.3
69.57471	1.2
69.57895	1.2
70.02875	0.5
71.01274	6.2
72.00797	0.6
88.03938	86.2
89.04252	1.8
91.05424	2.7
96.99199	0.4
103.10838	0.3
107.02220	0.3
111.18481	0.3
114.01882	5.2
115.00290	15.2
132.02956	100.0
133.03331	2.7
134.06053	0.9
135.04439	2.8
206.08241	1.4
232.06201	0.3
250.07242	14.1
251.07620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.4
59.43176	0.2
69.17397	0.3
69.31982	0.2
70.02857	0.8
71.01264	7.1
71.33158	0.5
71.33490	0.3
72.00796	0.5
84.02053	0.4
88.03931	84.0
89.04266	1.2
91.05431	2.0
101.49648	0.3
108.62516	0.3
114.01873	5.1
115.00281	14.4
128.91846	0.3
132.02946	100.0
133.03322	2.1
134.06029	1.0
135.04442	4.7
161.04485	0.3
182.34236	0.3
191.05608	0.5
206.08195	2.2
210.44511	0.2
232.06136	0.8
232.12285	0.3
250.07230	23.1
250.14476	0.9
251.07538	1.8
253.78755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71151	0.6
55.01439	0.6
59.01267	100.0
60.01591	1.4
66.72675	0.5
69.84195	0.9
69.84600	2.6
71.01275	1.5
73.02855	2.0
85.02849	1.5
86.27209	0.6
87.00775	1.0
97.02875	1.2
99.00774	1.4
101.02340	2.3
129.09866	0.6
131.46173	0.7
133.06544	1.2
134.03624	0.7
135.04489	6.0
149.06052	0.9
150.06812	11.5
151.07126	0.7
161.04495	4.7
166.12309	0.6
185.27626	0.5
193.07153	18.6
193.08830	1.2
194.07515	0.8
209.08186	6.7
253.07198	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	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01601	0.9
69.03355	0.8
70.87372	0.8
70.87726	1.8
71.01263	0.9
73.02827	1.0
77.46365	0.5
79.59298	0.6
81.93064	0.6
83.01280	0.9
85.02855	1.1
87.00782	1.9
97.02876	1.1
99.00803	1.1
101.02373	1.5
108.07029	0.5
145.32863	0.6
161.04561	4.2
193.07144	23.8
194.07460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0934
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
51.15605	0.6
59.01266	100.0
60.01597	1.0
69.65429	2.8
69.65849	2.4
71.01270	1.6
73.02840	2.0
85.02873	1.9
87.00808	1.7
97.02900	0.9
99.00793	0.9
101.02346	3.9
111.24310	0.7
121.81767	0.8
129.68118	0.7
161.04515	7.0
169.20953	0.7
169.86803	0.7
193.07173	16.1
194.07510	0.8
208.08199	0.7
225.75890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02882	0.8
59.01265	100.0
70.10271	4.5
71.01254	1.1
73.02848	2.0
85.02850	1.4
87.00780	2.2
89.51410	0.8
98.20601	0.9
99.00784	1.2
99.05776	0.9
101.02347	3.1
124.67073	1.1
125.02380	0.8
158.77658	1.0
161.04475	2.9
193.07141	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	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.34386	1.1
60.01621	1.3
71.57419	1.2
71.57742	1.1
79.40538	0.9
100.98825	1.0
161.04463	6.0
193.07153	44.6
194.07477	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	255.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13999	0.4
55.35500	0.3
59.01259	0.4
69.84359	2.4
71.39462	0.4
98.20541	0.7
143.05051	0.4
165.10126	0.3
167.04974	0.8
171.04434	0.7
172.05260	2.0
183.04652	0.4
184.05269	0.7
195.04460	3.6
196.05286	10.6
197.05518	0.6
198.03214	1.2
199.03740	0.5
211.04031	4.8
212.04785	8.4
213.05209	1.0
223.03877	0.5
239.03601	2.0
240.04305	87.0
241.04651	6.8
255.06668	100.0
255.23346	13.7
256.06985	9.8
256.23660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1136
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
57.03340	1.2
58.44205	0.8
59.00995	1.0
59.01263	10.9
59.85392	0.6
61.98701	3.0
69.71570	0.7
71.63086	1.3
73.02838	1.1
75.00755	1.3
87.00779	0.8
88.12668	0.7
117.03349	0.7
121.02892	4.3
131.08440	0.8
132.03000	0.6
134.03767	0.9
135.04466	4.3
147.04507	0.8
149.06015	3.4
161.06006	2.2
162.35783	0.7
163.03970	6.1
173.09691	1.5
175.03978	2.4
175.07579	3.8
175.11328	0.8
176.08363	3.1
177.05573	0.9
177.09109	2.6
177.96739	1.0
189.09212	1.3
190.09917	3.0
191.10759	22.3
192.11017	1.3
201.05501	2.2
203.10704	1.6
204.07835	1.8
205.08681	2.0
205.12337	1.2
205.15828	1.7
216.07899	1.6
217.08578	0.9
219.06583	1.0
220.14862	1.1
231.10295	2.3
238.44919	0.8
249.11353	100.0
249.14929	4.6
250.11679	9.3
250.14543	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	249.15
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
50.27158	0.6
51.07052	0.5
57.03336	1.0
59.01261	7.8
61.98709	3.4
68.45012	0.6
71.01253	0.6
71.04912	4.3
71.59432	0.5
73.02811	0.8
75.00758	0.7
85.02825	1.0
87.00796	1.3
95.04939	0.7
101.02358	0.6
108.05701	0.7
109.06519	0.9
117.03346	0.6
121.06506	23.7
122.06831	1.6
123.08065	3.9
128.49484	0.6
135.08096	0.9
137.09650	5.4
138.09981	0.6
153.53923	0.6
161.02377	0.9
177.12813	2.6
177.96735	1.6
189.12837	13.9
189.93080	0.8
190.13200	1.1
193.12267	1.0
205.15961	100.0
206.16302	7.4
218.99660	0.6
219.13879	2.5
221.15518	0.8
249.14995	98.4
250.15041	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	247.1707
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01276	0.5
61.98700	0.1
62.81780	0.1
65.40871	0.1
70.15704	0.1
70.91832	0.2
71.01273	0.1
83.14506	0.1
89.02342	0.2
90.96985	0.1
115.03892	0.2
121.02877	0.3
138.85658	0.1
145.08208	0.1
165.01949	0.2
174.99149	0.2
179.07196	0.1
184.00133	0.5
186.95518	0.8
205.16075	0.3
220.17104	0.6
226.90767	0.1
231.13908	0.6
232.14627	0.1
247.17065	100.0
248.08005	0.5
248.17403	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	249.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.8
69.03342	0.9
71.01252	1.0
71.63129	1.5
90.27634	0.6
120.55243	0.8
127.07568	5.0
133.10136	0.8
135.11681	0.9
151.11195	1.0
161.13319	1.4
167.06822	2.5
169.08456	1.3
179.10732	1.0
181.12315	21.8
181.13922	1.1
182.12682	1.2
183.13815	1.5
187.07378	1.2
189.05373	0.8
197.11800	1.0
199.07404	1.2
201.08896	3.6
203.10541	10.8
204.10893	0.8
205.08632	0.9
205.12137	1.9
207.10101	1.3
215.06772	1.1
217.08453	3.0
219.09962	4.7
221.11586	6.9
223.13162	68.0
224.13510	5.2
233.07986	6.4
235.09509	11.8
236.09918	0.7
237.11107	21.6
238.11433	1.5
241.14226	2.3
249.11116	100.0
250.11462	9.0
250.14468	3.8
265.10611	9.9
266.10825	1.3
267.12189	80.1
268.12585	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	245.1398
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03336	1.6
59.01261	1.5
61.98708	1.7
65.99734	0.7
69.52177	3.7
71.04923	1.2
73.02860	0.6
74.20578	0.5
75.00755	1.5
83.04948	0.8
97.06496	0.6
98.98790	0.5
99.00781	0.6
111.08058	3.1
125.09669	1.2
133.04070	0.6
134.03456	0.7
155.14354	1.9
162.02942	0.5
163.11224	1.0
165.12805	16.6
166.13138	1.6
172.05232	0.6
181.12335	0.9
183.13863	17.4
184.14236	1.4
187.09724	1.3
195.22066	0.5
199.13333	1.0
201.05403	0.5
201.14955	9.1
207.10129	0.7
209.11833	9.9
210.12114	1.0
225.11360	1.6
227.12886	47.6
228.13316	2.9
243.12439	0.8
245.04530	1.5
245.13962	100.0
246.14310	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	247.1343
Annotation	Onitin
Peak:m/z	Relative Intensity
50.42979	0.3
59.01265	3.3
59.69979	0.3
61.98687	0.7
71.01218	1.0
77.63056	0.3
89.02275	0.5
90.97004	0.9
109.02831	0.5
118.21178	0.3
121.02830	1.2
129.66718	0.4
131.04927	0.8
132.98077	1.2
143.04942	0.4
143.87221	0.3
146.03618	0.7
146.61066	0.3
147.04413	1.1
159.04459	42.0
160.04785	2.9
161.05981	1.3
165.01854	1.0
172.05206	1.3
173.06027	2.8
174.06821	2.9
174.99187	2.2
175.03926	0.7
178.76399	0.3
184.05362	0.6
185.06046	28.9
186.06718	6.1
186.95569	4.8
187.07520	1.3
187.11177	0.4
189.93019	0.4
199.07628	14.1
199.09488	0.7
200.08380	5.0
201.09088	0.4
204.04552	0.5
213.09370	2.2
215.10764	100.0
216.11098	9.1
217.12332	6.6
218.08743	0.4
218.12650	0.6
247.06305	0.8
247.13432	32.7
248.03513	0.4
248.13771	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	245.1187
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
62.73213	0.4
62.99206	0.4
70.39182	1.0
70.39568	0.6
98.20589	0.4
112.42393	0.4
135.04413	1.1
136.05240	0.6
148.05217	1.2
161.06032	2.5
162.06818	46.4
163.07152	3.5
164.04752	2.3
173.06082	1.2
173.38568	0.4
174.06769	1.3
176.04768	3.9
187.07614	0.6
188.08386	8.5
189.08792	1.2
190.06367	1.4
194.05843	1.2
196.91785	0.5
216.07962	0.6
217.12341	100.0
218.12669	11.0
218.14687	0.9
227.10791	0.5
245.11861	58.1
246.12234	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	245.1187
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
59.01255	2.0
61.98718	0.7
68.99695	1.2
70.13256	1.9
71.70512	0.5
79.05430	0.8
85.02857	0.6
87.00772	0.8
91.05431	3.5
95.04926	1.6
97.06490	17.0
98.06811	0.6
101.02277	0.5
103.05441	1.2
105.03373	4.9
113.02332	0.4
119.04935	4.7
121.02889	2.3
129.03392	0.8
140.66095	0.5
146.03638	0.7
147.04453	43.8
148.05241	100.0
149.05548	6.1
159.04466	2.0
162.91148	0.7
173.06053	3.7
174.99257	1.5
186.95621	0.9
187.07579	0.6
189.05620	0.6
189.09123	0.6
190.40227	0.5
201.05569	1.4
204.07837	0.9
215.49799	0.4
216.07916	4.7
217.12384	1.2
245.01019	0.7
245.04596	0.9
245.08258	0.7
245.11862	7.9
246.12309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50102	0.5
66.43637	0.5
70.32783	2.0
75.12450	0.4
97.06493	5.3
122.03659	3.3
129.03374	0.5
135.04442	1.0
143.04901	0.6
145.06522	1.1
146.03699	4.1
147.04460	13.5
148.05081	0.6
149.06006	1.5
150.03226	0.5
159.04459	37.1
160.04846	3.0
161.02408	0.6
161.06030	15.3
162.06358	1.2
163.07576	3.8
172.05232	1.9
173.06030	29.9
174.06595	3.7
175.03960	4.5
175.07581	1.3
176.08394	5.7
177.08755	0.7
185.06032	1.8
186.06749	1.1
187.04002	0.8
187.07614	11.1
188.08354	3.7
189.05548	3.4
189.09175	2.2
190.06250	1.3
197.06027	1.9
198.06779	0.6
200.08318	0.6
201.05583	0.7
201.09190	16.3
202.09596	1.6
203.07089	0.6
204.07878	2.0
211.07648	1.3
212.08313	0.6
215.07216	0.6
215.10844	3.7
216.08061	3.7
216.11545	5.7
217.12328	29.7
218.12698	2.6
227.10768	2.1
245.11858	100.0
246.12218	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	245.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47157	0.4
58.88539	0.4
65.51071	0.4
70.87258	0.8
85.58800	0.4
110.46799	0.4
134.71008	0.4
135.04448	1.0
136.05186	0.7
147.04498	1.1
148.05205	0.8
159.04440	1.1
161.06026	3.4
162.06807	52.1
163.07150	3.5
164.04689	2.6
173.05975	2.2
174.06767	1.4
176.04784	5.3
177.05231	0.5
187.07597	1.2
188.08376	9.5
189.08858	1.1
190.06290	1.2
194.05794	1.2
204.07942	0.5
216.07909	1.8
217.12325	100.0
218.12669	10.1
227.10860	0.6
245.11841	53.1
246.12187	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	245.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
69.03301	0.7
71.08904	1.8
92.27653	0.5
96.75385	0.6
97.06496	18.9
99.58826	0.6
100.35045	0.6
122.03674	0.7
129.03319	0.8
130.04161	0.6
133.02887	0.6
135.04385	0.8
143.04988	0.9
145.06526	1.6
146.03705	2.1
147.04457	21.4
148.05008	1.0
155.05060	0.9
159.04460	23.0
160.04951	1.9
161.06055	6.5
172.05269	5.1
173.06033	41.7
174.03197	2.3
174.06473	3.3
175.03972	6.9
175.07573	2.5
185.06052	1.0
186.06891	2.8
187.03973	1.9
187.07614	14.9
188.08337	2.8
189.03981	1.1
189.05556	12.3
189.09177	10.3
190.05934	1.0
190.09509	1.1
201.05569	9.8
201.09181	7.2
202.06155	0.7
203.07164	4.0
204.07907	25.2
205.08252	2.3
215.07176	4.0
216.07910	48.5
217.08302	4.4
217.12279	2.1
227.10814	0.7
245.11853	100.0
246.12190	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	245.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13245	0.5
61.83142	0.5
66.38272	0.5
69.03339	1.2
70.68742	0.9
70.69093	1.2
103.41602	0.5
111.83835	0.5
129.03355	1.0
137.80006	0.6
143.04918	1.6
145.06551	3.3
146.03699	2.5
147.04445	29.9
148.04784	1.9
155.04970	2.3
158.03664	1.0
159.04456	36.1
160.04799	3.3
161.06035	3.0
162.06783	1.0
172.05260	5.4
173.06032	70.3
174.03204	1.8
174.06377	5.8
175.03940	8.3
176.04295	0.6
186.06841	0.8
187.03996	1.4
187.07603	16.6
188.08073	2.3
189.05539	1.6
189.09189	8.9
190.09543	0.9
199.07709	0.5
201.05539	10.0
201.09236	1.1
202.05945	1.1
203.07092	2.2
204.07843	3.6
205.08305	0.5
215.07106	4.7
216.07904	72.8
217.08276	7.2
217.12285	0.7
245.11842	100.0
246.12204	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	245.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60650	0.6
60.94375	0.6
70.01582	0.6
70.32689	2.7
93.11945	0.6
97.06489	14.1
98.06796	0.8
109.02890	0.8
119.75436	0.6
131.58221	0.7
133.02814	1.0
146.03668	60.7
147.04488	5.6
148.05237	3.6
159.04460	17.1
160.05087	1.9
161.02356	1.5
161.05981	3.8
162.03160	4.7
163.03882	0.7
173.06027	6.9
174.03123	1.2
175.03912	4.1
175.07562	1.5
176.04552	0.9
187.03975	27.7
187.07594	2.1
188.04749	72.1
188.08334	2.0
189.05205	8.1
201.05565	2.1
201.09181	1.9
202.06264	0.9
203.07210	1.0
203.10739	2.9
204.07906	11.3
205.08183	1.4
215.07144	1.0
215.10844	0.9
216.07910	3.7
217.12331	5.7
218.12677	0.7
227.10774	1.9
230.09489	3.2
245.11845	100.0
246.12154	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	243.1242
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03320	0.6
59.01257	1.8
61.98699	0.8
65.01331	0.5
69.83552	3.3
71.04908	2.0
83.04903	0.7
92.26911	0.5
94.96307	0.6
97.02849	2.3
97.06523	0.7
99.00786	10.8
110.03668	0.6
125.09662	3.5
140.33557	0.7
142.02698	1.2
155.10736	0.8
155.14397	1.1
163.11206	2.9
174.06651	0.6
178.01474	0.6
181.12306	11.9
182.12624	0.6
183.10316	0.7
188.67870	0.6
197.11879	1.6
199.13388	16.1
200.13745	1.1
207.10257	21.8
208.10614	1.5
225.11330	42.9
226.11679	3.5
243.06886	2.0
243.12407	100.0
244.10361	1.0
244.12746	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01261	1.4
59.23182	0.8
61.98718	1.6
71.00949	1.7
71.04906	3.9
83.04916	1.5
85.94479	0.7
93.56577	0.7
95.04884	0.8
95.90233	0.7
97.02848	5.2
97.06506	1.9
99.00786	22.3
106.04032	0.9
109.06492	1.8
110.03594	1.1
123.08093	1.1
125.09647	6.4
127.11246	1.5
135.07988	1.0
136.05147	1.1
142.02647	2.5
153.12773	1.1
154.86041	0.8
155.14363	1.6
158.10953	0.7
163.11237	10.4
164.11560	0.9
178.02065	0.7
181.12317	23.0
182.12709	1.3
197.11813	0.8
199.13380	19.7
200.13736	1.7
207.10255	41.9
208.10619	2.9
225.11331	79.6
226.11708	6.9
243.06828	2.6
243.12410	100.0
244.12773	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03343	1.6
59.01267	100.0
60.01607	1.5
60.99197	0.6
61.98703	0.8
62.66206	0.7
68.01295	0.7
69.03348	1.2
69.68567	4.2
71.01275	4.0
73.02880	0.9
87.84063	0.6
93.85883	0.6
115.00304	1.8
127.07572	1.6
133.01375	2.1
139.11217	19.6
140.11572	1.2
163.05013	0.7
163.11285	2.0
163.80832	0.7
181.12311	31.5
182.12665	2.7
183.10254	20.9
184.10666	1.2
199.13394	11.9
200.13680	1.3
225.11337	9.6
226.11591	0.8
243.03046	1.3
243.06998	1.8
243.12416	81.0
244.12685	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	245.0934
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
50.29117	1.3
58.02864	26.5
59.01258	5.6
61.98709	3.0
68.03792	1.1
68.57977	1.2
69.58175	9.6
70.02868	18.5
71.01267	1.4
72.00787	4.7
72.04422	3.1
74.02364	99.6
75.02672	1.8
82.49023	1.1
98.01733	1.6
98.02374	29.8
116.03472	29.7
116.04964	36.7
117.05332	1.9
130.06569	6.8
130.07381	1.2
142.06563	6.9
156.30774	1.4
159.09283	6.8
173.05978	1.7
183.09152	1.7
186.05533	3.2
201.10327	9.8
203.06274	2.8
203.08243	96.6
204.08640	7.7
245.09341	100.0
246.09688	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01265	7.4
69.96383	1.4
69.96795	0.7
83.04967	0.6
87.00824	0.6
92.44637	0.4
98.20431	0.6
114.84370	0.4
177.12811	3.0
179.05556	4.3
195.13879	100.0
196.14230	8.9
239.10445	0.8
239.12888	13.5
240.13277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1448
Annotation	A factor
Peak:m/z	Relative Intensity
57.03345	0.7
59.01264	1.6
61.01697	0.7
61.98714	1.0
69.29372	2.0
69.29793	3.1
75.09659	0.5
76.93632	0.5
98.20561	1.2
128.96689	0.5
137.35800	0.6
165.12813	0.6
179.14378	26.9
180.14706	2.1
181.06168	0.6
197.15448	100.0
198.15800	8.7
206.18936	0.6
213.01828	0.5
213.09143	0.6
223.13492	1.8
241.05141	0.9
241.08789	1.6
241.14474	44.7
241.18251	1.4
241.21725	2.2
242.14766	3.7
242.17706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1449
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
56.87924	0.4
57.03326	1.4
59.01250	0.4
71.04909	0.5
71.30873	0.8
77.80942	0.3
80.02599	0.7
81.03351	0.7
83.04916	3.7
95.04927	1.4
96.46644	0.4
97.06492	10.6
98.06776	0.4
109.06460	0.7
111.08077	9.6
123.08080	0.5
147.11711	1.4
147.59415	0.4
149.09700	0.9
163.11198	2.7
165.12805	100.0
166.13133	8.7
197.15457	29.4
198.15828	2.6
209.11826	3.8
241.14417	2.1
241.18286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1029
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
52.75514	0.9
58.74004	0.8
59.01262	3.4
61.98718	2.5
63.95891	0.9
71.60957	1.4
110.02386	1.6
116.96586	1.0
119.59144	0.9
134.89374	1.0
135.17265	0.9
137.32617	1.0
145.02882	3.0
154.59656	1.0
155.08557	1.0
158.03639	1.1
159.04524	1.4
169.06456	1.8
170.07323	3.8
173.02405	5.6
173.06052	2.3
174.06784	4.3
181.12308	1.0
183.08163	3.0
185.06041	5.1
186.06795	8.1
187.03952	3.3
187.07623	2.2
188.04718	1.1
197.09717	3.4
199.03984	3.0
199.07648	2.8
199.11276	6.7
200.05621	1.1
200.08467	5.0
201.09065	1.7
202.06342	13.3
213.05592	5.7
214.06358	34.7
214.09537	1.4
215.06779	3.8
215.10814	15.7
216.11227	1.6
228.07921	3.7
243.06432	4.3
243.10304	100.0
243.15935	2.8
243.19705	1.8
244.10620	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	243.103
Annotation	Emmotin C
Peak:m/z	Relative Intensity
52.16832	1.4
54.36459	1.5
59.01256	4.4
61.98706	6.3
66.03388	1.5
68.91834	1.5
69.03300	1.9
83.04903	1.5
84.60632	1.3
102.24009	1.3
109.02834	3.7
110.02406	3.6
115.78542	1.8
119.04935	2.1
131.04947	2.3
143.04951	4.2
145.02905	9.7
146.03664	5.8
147.04434	1.7
158.03719	2.8
159.04437	8.0
169.06438	2.0
171.04459	6.4
171.08060	3.1
172.05237	7.4
173.02364	20.8
173.05997	8.7
174.03120	3.9
174.06796	9.5
185.06059	20.7
186.06816	16.9
187.04015	14.6
187.07608	6.9
187.11285	2.7
195.04465	7.5
196.05205	3.8
197.09660	3.1
199.03973	7.4
199.07617	12.2
199.11293	8.3
200.08301	10.6
201.05608	3.2
201.09103	4.8
202.06348	60.3
203.06714	4.3
210.06775	1.9
213.05534	8.7
213.09242	9.0
214.06317	16.4
215.06866	2.8
215.10815	26.5
216.11131	2.8
225.09155	4.0
243.02997	3.9
243.06429	5.3
243.10289	100.0
243.12135	3.9
243.15935	5.8
243.19789	9.6
244.10660	10.4
244.20030	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87759	0.6
59.01255	2.3
61.98705	1.4
68.45989	0.7
69.03341	1.3
71.62757	0.7
71.63159	0.8
82.02863	0.7
89.61115	0.6
93.03358	1.1
94.62476	0.6
99.04396	0.6
108.02081	0.9
109.02866	3.3
110.02368	1.4
121.02898	0.8
121.06425	0.9
135.04407	1.4
143.04967	0.8
145.06560	0.9
146.03641	2.2
155.05000	1.4
156.05777	1.0
158.03635	1.2
159.04485	7.5
160.05086	1.3
161.05986	1.1
167.05025	0.9
171.04483	2.8
171.08119	1.1
172.05280	12.3
173.06041	16.6
174.06647	1.8
181.06500	0.8
183.04448	1.5
184.05226	1.7
185.06053	45.8
186.06831	27.8
187.03990	17.6
187.07585	13.7
188.04759	6.2
188.07993	1.1
189.05504	1.1
196.05255	2.3
197.06036	1.8
197.09619	0.8
198.03165	1.2
198.57741	0.7
199.03998	18.9
199.07635	19.5
200.04651	2.4
200.08394	15.2
201.05611	7.5
201.09190	6.7
202.06354	10.1
202.09433	0.7
203.06779	1.0
204.04251	1.6
209.06143	0.9
210.06810	1.2
211.13405	1.1
212.04794	0.7
213.05592	20.1
213.09103	5.5
214.06345	33.0
214.09724	1.8
215.06744	4.2
215.10764	17.6
215.48106	0.7
216.11017	1.6
218.05734	0.9
225.09129	1.7
225.11241	1.1
227.07155	3.5
228.07886	5.4
243.10298	100.0
243.15710	2.5
244.10629	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.34576	1.1
57.03330	2.9
59.01265	56.1
61.98721	6.4
64.29850	1.2
67.05408	1.5
68.01275	1.6
69.03346	12.7
69.29356	3.4
69.29757	11.9
70.56568	1.2
71.01266	14.8
73.02834	5.0
75.00761	2.7
83.01264	3.2
85.02832	8.6
87.00787	1.8
89.02341	2.3
93.06986	1.5
96.95895	3.0
97.06485	34.0
99.00756	4.5
101.02363	13.8
106.86356	1.2
107.64515	1.2
111.00822	1.6
113.02373	7.1
116.92764	3.8
118.02853	2.5
121.02901	1.6
121.10175	6.5
122.03714	1.5
123.00841	1.5
123.08079	42.4
124.08424	2.5
129.01833	4.0
139.07553	6.8
147.11751	7.5
148.11932	1.4
149.05936	1.8
149.09613	1.7
150.11530	1.2
154.99547	1.7
159.02933	1.8
161.04498	6.8
163.11232	3.6
167.07053	2.7
168.81670	1.3
175.14894	7.1
177.03999	1.7
179.10770	10.2
189.30878	1.3
193.12369	1.8
193.15929	5.6
200.07059	1.5
207.02974	1.2
209.94823	1.7
219.13879	4.5
220.14365	1.3
237.05801	1.8
237.07751	2.5
237.09752	5.6
237.14986	100.0
238.15326	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0565
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
53.02320	0.7
53.61801	0.7
58.00479	1.3
59.01267	8.8
63.30494	0.7
69.36584	0.6
70.67651	0.7
70.72704	2.1
72.99197	17.1
80.59965	0.7
87.00774	6.0
90.88424	0.9
91.05434	8.3
93.03347	2.4
96.78098	0.7
106.04147	4.6
107.04941	16.8
108.02069	1.7
115.05479	1.4
117.03367	3.5
121.02872	4.1
125.92643	0.8
131.04974	3.0
133.06523	13.4
135.04466	2.3
137.02469	0.8
147.04446	1.1
149.06029	57.6
150.06364	3.6
157.77034	0.8
161.04468	1.9
163.03973	9.0
177.05536	36.3
178.05846	2.9
179.03461	50.4
179.05545	8.4
180.03761	3.6
180.57301	0.8
193.05072	1.0
195.06627	5.9
221.04594	2.3
239.05643	100.0
240.05981	8.3
241.95230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	15.6
59.96597	0.4
60.01585	0.3
63.66608	0.2
67.47312	0.2
67.97417	0.2
71.31828	0.6
74.98968	8.7
75.96104	0.4
85.02847	0.3
87.00779	2.3
89.02287	0.3
91.02103	10.3
92.02047	0.3
93.00034	4.3
93.99982	0.3
97.02900	0.3
99.00780	0.6
101.02350	0.3
104.18419	0.2
117.01872	0.5
125.02368	0.2
130.40945	0.2
133.63890	0.2
137.46532	0.2
149.00906	4.5
150.00998	0.3
161.04509	2.0
179.05576	10.8
180.05934	0.4
190.27065	0.2
195.13959	0.3
206.99686	2.1
207.99847	0.3
211.03946	0.2
214.80763	0.3
223.02840	100.0
224.02858	13.1
239.03816	0.3
239.06073	1.0
239.12859	0.3
239.16641	0.4
241.03940	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	235.0614
Annotation	CHEBI:67765
Peak:m/z	Relative Intensity
57.03349	0.7
59.01265	21.6
60.01611	0.7
61.01667	1.3
61.98721	3.4
71.01263	2.6
71.60662	0.6
73.02837	1.8
85.02840	1.3
87.00773	0.7
89.03835	1.0
91.05434	1.3
93.03357	1.6
95.69147	0.5
101.02353	1.7
102.04642	0.9
103.05438	0.6
113.02425	0.7
119.04955	6.5
130.04189	0.7
131.04958	64.0
132.05296	3.9
147.04489	3.6
148.05243	2.8
161.04565	0.9
165.05502	0.8
175.03964	44.8
176.04343	3.4
183.88289	0.6
191.07108	1.5
191.10683	0.8
207.06627	100.0
208.06961	8.6
235.06154	11.0
235.09796	1.9
235.13457	3.0
235.16367	1.0
236.06558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54021	0.2
57.03358	0.2
59.01270	1.9
61.98720	1.3
62.89521	0.1
62.94710	0.2
69.91167	0.6
69.91577	0.4
71.01259	0.7
73.02839	0.4
75.00767	0.2
78.43382	0.1
78.95763	0.1
81.57550	0.2
83.01301	0.2
85.02850	0.6
88.06876	0.2
96.11191	0.1
99.00783	0.3
101.02371	0.6
111.04391	0.3
113.02366	0.4
116.92746	0.3
121.02895	0.2
122.43821	0.1
125.02409	0.2
129.01878	0.2
134.03664	0.5
135.04469	0.4
136.05240	0.3
148.05251	7.0
149.06021	0.4
149.09637	1.0
151.07658	0.2
161.04520	0.3
162.06763	0.3
175.07620	0.4
176.08394	0.7
177.09180	38.5
178.09535	3.2
179.10768	0.3
190.09972	1.7
191.10661	1.0
192.11540	29.7
193.11922	3.1
193.16023	0.3
201.09196	0.6
203.07188	0.8
217.08711	3.0
218.09485	7.2
219.09955	0.6
236.10558	100.0
237.10966	11.3
237.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85021	0.4
58.08003	0.4
59.01264	1.1
61.25036	0.4
61.98707	0.9
70.96645	1.0
71.01271	24.3
72.01596	0.4
85.02845	0.6
91.05328	0.4
98.85782	0.4
101.02402	0.6
115.00288	8.3
121.02872	100.0
122.03213	5.8
129.01807	0.6
195.94972	0.4
199.75739	0.5
232.00911	0.5
237.04021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	0.5
52.70714	0.6
53.68729	0.5
54.32957	0.7
55.01784	0.7
57.03328	2.1
59.01268	6.1
66.39934	0.5
67.87064	0.5
67.96857	0.7
70.71611	1.8
70.71963	0.7
71.01270	5.3
72.99190	2.4
73.02834	1.6
75.00764	17.8
78.95781	3.1
85.02850	5.1
85.80807	0.5
87.00774	100.0
88.01125	2.1
89.02332	2.7
96.95901	3.7
99.00773	1.4
101.02322	3.4
103.03970	0.6
111.00761	0.9
113.02351	1.8
117.01820	1.7
119.03498	0.8
129.01862	13.9
130.02161	0.6
136.93959	1.1
141.91173	1.3
147.02917	1.7
151.60324	0.6
159.02896	0.7
161.04588	0.7
189.48730	0.5
219.05028	1.2
237.06186	36.1
238.06573	1.5
251.66389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	0.5
52.70714	0.6
53.68729	0.5
54.32957	0.7
55.01784	0.7
57.03328	2.1
59.01268	6.1
66.39934	0.5
67.87064	0.5
67.96857	0.7
70.71611	1.8
70.71963	0.7
71.01270	5.3
72.99190	2.4
73.02834	1.6
75.00764	17.8
78.95781	3.1
85.02850	5.1
85.80807	0.5
87.00774	100.0
88.01125	2.1
89.02332	2.7
96.95901	3.7
99.00773	1.4
101.02322	3.4
103.03970	0.6
111.00761	0.9
113.02351	1.8
117.01820	1.7
119.03498	0.8
129.01862	13.9
130.02161	0.6
136.93959	1.1
141.91173	1.3
147.02917	1.7
151.60324	0.6
159.02896	0.7
161.04588	0.7
189.48730	0.5
219.05028	1.2
237.06186	36.1
238.06573	1.5
251.66389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.58804	0.5
52.70714	0.6
53.68729	0.5
54.32957	0.7
55.01784	0.7
57.03328	2.1
59.01268	6.1
66.39934	0.5
67.87064	0.5
67.96857	0.7
70.71611	1.8
70.71963	0.7
71.01270	5.3
72.99190	2.4
73.02834	1.6
75.00764	17.8
78.95781	3.1
85.02850	5.1
85.80807	0.5
87.00774	100.0
88.01125	2.1
89.02332	2.7
96.95901	3.7
99.00773	1.4
101.02322	3.4
103.03970	0.6
111.00761	0.9
113.02351	1.8
117.01820	1.7
119.03498	0.8
129.01862	13.9
130.02161	0.6
136.93959	1.1
141.91173	1.3
147.02917	1.7
151.60324	0.6
159.02896	0.7
161.04588	0.7
189.48730	0.5
219.05028	1.2
237.06186	36.1
238.06573	1.5
251.66389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48883	1.2
57.03335	16.9
59.01266	100.0
60.01600	1.5
67.01770	4.4
68.99700	4.6
70.79031	4.1
71.01273	34.5
72.99203	1.8
73.02856	9.1
73.15009	1.1
83.01281	11.8
85.02849	14.7
87.00777	1.8
93.03333	5.9
99.00777	17.7
101.02348	5.3
104.47601	1.6
111.00790	20.2
111.04391	2.3
113.02449	1.5
115.00291	2.4
117.05525	7.8
129.01865	32.7
173.00862	5.3
173.04575	7.4
202.75880	1.5
233.06725	2.4
233.10364	1.5
233.15495	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73449	0.2
56.21946	0.2
59.01267	21.6
59.96613	0.3
60.01615	0.3
60.97393	0.2
67.01774	0.8
71.01281	0.7
71.52769	0.4
74.98956	5.1
74.99352	0.3
75.00767	0.4
90.09523	0.2
91.02113	0.7
93.00046	2.9
93.03355	3.8
97.97554	0.2
111.04427	0.7
118.96220	0.7
134.99333	5.9
135.00365	0.3
135.99277	0.4
136.97260	2.0
141.07373	0.4
149.00909	64.9
149.21304	0.2
150.00864	4.6
150.98846	0.7
152.96756	0.3
159.08420	2.1
161.06354	4.0
173.03116	0.3
173.04533	4.6
174.04878	0.3
175.79630	0.2
183.68864	0.2
187.14653	0.2
193.72258	0.2
201.04057	0.4
210.73424	0.2
215.05692	1.2
215.09261	0.5
217.07220	87.6
218.07362	9.9
223.03471	0.2
233.10365	100.0
234.10509	13.6
234.15529	0.4
235.08403	0.5
243.60936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1502
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01264	20.4
60.01607	4.0
67.01781	0.5
71.01256	1.3
71.61347	0.5
73.02827	0.7
85.02847	0.6
89.02339	0.5
93.03341	2.0
94.03706	2.5
101.02364	0.9
119.04913	0.6
148.05226	0.8
149.04451	0.9
173.04468	1.2
174.04828	3.6
179.07086	0.6
191.07127	0.7
207.13786	0.8
207.19672	0.5
218.11790	1.8
234.14998	100.0
235.06030	0.5
235.13014	0.7
235.15286	11.5
251.11673	3.4
251.94295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0613
Annotation	7-Hydroxy-3-methoxypereflorin
Peak:m/z	Relative Intensity
54.83849	0.7
59.01265	11.5
70.74654	2.1
71.01261	2.2
73.02822	1.2
75.00761	2.8
85.02834	1.0
93.03341	0.9
101.02330	1.6
115.24305	0.7
119.04945	4.0
122.03672	1.0
130.83830	0.7
131.04974	2.6
139.03943	0.7
146.03659	1.7
147.04446	23.8
148.05267	5.9
149.06042	1.1
158.03667	1.7
159.04468	1.7
160.01620	4.0
161.02388	57.8
162.02713	4.6
174.03172	5.9
175.03955	85.4
176.04500	10.4
177.05559	3.6
191.03436	1.3
191.07094	1.0
201.21716	0.7
203.03479	42.0
204.03842	2.8
205.04927	0.8
207.06593	6.0
208.03722	9.1
209.04176	1.2
235.06129	100.0
235.13330	1.5
236.06467	9.1
238.71611	0.7
245.94044	0.6
257.74939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1029
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
52.04879	0.6
59.01260	2.6
61.98730	0.6
64.96524	0.5
69.88805	0.9
69.89222	2.8
72.99212	1.0
80.38457	0.6
83.04915	0.8
84.30103	0.6
94.03539	0.5
97.60813	0.6
98.65855	0.6
109.02862	1.3
109.06493	1.3
121.02879	0.9
122.03663	0.9
145.02980	0.7
146.03662	1.4
147.04442	1.5
148.05206	2.8
149.06020	85.3
150.06358	5.6
159.04488	8.1
160.05258	21.1
161.05898	1.7
172.05200	5.2
173.06038	21.3
174.06789	3.8
175.03949	2.4
175.07567	1.5
183.04556	0.9
185.06021	1.2
185.09665	0.8
187.04002	9.6
187.07607	24.0
188.04555	2.1
188.08075	2.7
189.05389	1.0
198.06841	2.0
201.05557	21.0
201.09183	2.5
202.06334	86.1
203.06689	7.8
203.10751	7.4
204.11028	0.9
205.70532	0.6
213.09244	4.7
214.09572	0.8
215.07138	3.1
216.07903	11.6
217.08313	1.3
231.10278	100.0
232.10594	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	231.1605
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.18555	0.3
57.03334	1.5
59.01263	0.5
61.98727	0.7
66.92303	0.3
67.77900	0.3
71.01263	0.4
71.59388	0.5
78.49657	0.3
87.00755	0.4
87.04396	0.5
125.09627	0.4
127.11211	2.2
155.14268	0.4
171.10205	4.3
172.10550	0.4
173.49826	0.3
183.13927	0.6
185.15326	0.4
195.13823	0.7
205.07425	0.4
213.14955	4.6
214.15315	0.7
220.60300	0.4
229.14482	2.9
231.16028	100.0
232.16368	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	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	14.6
59.01265	100.0
60.99221	1.5
61.14146	1.3
67.01779	4.5
68.99684	1.4
71.01270	37.1
71.06358	4.5
72.99205	2.8
73.02840	6.7
77.02892	1.5
77.62528	1.6
81.34362	1.7
83.01278	10.7
85.02830	7.5
87.00745	3.0
93.03348	10.4
99.00795	16.3
101.02345	5.4
101.05936	1.8
111.00784	16.5
111.04418	1.9
117.05497	3.1
121.13847	1.5
129.01845	18.8
129.95930	1.5
151.25523	1.6
173.00877	4.3
173.04492	10.9
230.39096	1.5
233.10373	2.0
233.15486	22.0
234.15869	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	230.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62911	0.6
60.49704	0.6
60.76198	0.6
69.49139	3.4
69.49570	1.7
70.02871	14.4
71.01277	1.0
74.08735	0.6
79.95660	0.6
83.29709	0.6
93.58041	0.6
96.99213	29.7
97.99554	1.2
98.20573	0.7
99.08067	1.5
100.07584	100.0
101.07921	3.9
103.89526	0.6
114.01904	3.9
115.00305	1.8
120.24313	0.6
126.09170	6.4
127.09512	1.0
129.01837	0.9
134.36095	0.6
154.08685	25.4
154.09949	1.3
155.09019	1.4
156.74162	0.6
159.04424	0.8
188.97729	0.7
198.07698	29.7
199.07993	2.2
230.02130	2.2
254.85500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1028
Annotation	6-Methoxytremetone
Peak:m/z	Relative Intensity
59.01257	2.6
63.51015	0.7
68.65060	0.7
69.03342	2.1
69.44731	0.8
70.88960	1.1
70.89307	1.5
71.01252	0.7
72.99202	1.2
83.04887	0.9
106.32809	0.6
122.03675	0.8
145.06512	1.9
146.03656	2.0
147.04462	18.1
148.04857	1.1
149.06029	1.7
155.04985	1.4
157.06505	0.8
159.04456	42.1
160.04991	3.6
161.06001	4.7
172.05234	4.7
173.06036	53.1
174.03239	1.1
174.06335	3.4
175.04073	7.6
175.07597	41.6
176.07927	3.8
187.03961	2.0
187.07603	15.4
188.04723	1.2
188.08148	1.2
189.05518	7.2
190.06337	12.4
191.06647	1.3
197.06100	1.0
201.05550	9.1
202.06210	2.0
203.10783	2.1
213.09164	0.9
215.07170	4.2
216.07912	46.9
217.08275	4.6
231.10278	100.0
232.06155	0.8
232.10616	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03339	0.5
59.01263	0.5
61.98689	0.3
66.18569	0.3
70.21287	1.1
71.01251	0.4
71.50922	0.3
71.77075	0.3
85.02839	0.3
88.29787	0.3
100.07594	0.4
108.75540	0.3
109.02911	0.3
119.11529	0.3
129.05481	0.5
133.06523	0.5
139.11256	0.3
148.05211	0.5
160.07608	1.0
165.12807	0.9
167.14362	27.6
168.14780	1.7
184.07590	0.3
185.06012	0.6
185.15482	0.8
202.08694	1.7
211.13385	23.8
212.13768	2.3
229.05052	0.9
229.14456	100.0
230.14799	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03329	1.7
59.01258	1.2
61.98700	1.9
65.01345	0.9
65.99732	0.9
68.01297	0.5
69.03390	0.5
71.04885	0.5
71.63346	0.8
73.02850	1.0
76.91058	0.4
78.86262	0.4
79.95626	1.6
80.72263	0.4
83.02380	0.4
83.04921	0.6
85.02834	3.9
91.02924	0.4
97.06467	0.5
97.75990	0.4
100.07626	0.6
106.04057	0.6
109.02885	3.0
111.08035	0.4
120.05583	0.6
125.09626	2.3
127.11217	4.8
129.01851	0.7
131.60005	0.5
132.05577	0.4
139.11220	1.0
148.05161	0.7
149.06018	17.6
150.06372	1.5
153.09140	1.8
155.10695	4.1
155.14423	1.1
167.10680	0.6
167.14368	1.9
171.10214	2.1
176.04620	0.4
181.12288	2.8
183.10184	0.9
183.13843	1.4
185.05984	1.2
185.09392	0.7
185.11810	1.0
187.06104	0.4
191.56790	0.5
193.12296	1.6
197.08145	4.0
197.11888	0.5
199.13362	7.2
200.13760	0.5
201.11298	1.6
209.11861	2.6
211.13405	9.3
212.13817	0.6
229.01714	7.0
229.05107	1.6
229.14462	100.0
230.02158	0.6
230.14804	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0831
Annotation	H-Pro-Asp-OH
Peak:m/z	Relative Intensity
58.00479	0.4
59.01280	0.9
69.71160	1.4
71.02412	0.7
72.00796	1.1
72.04443	1.3
74.02361	13.4
91.47470	0.3
97.07597	2.4
98.06030	1.2
98.19855	0.4
99.09191	1.2
100.03952	0.6
109.07630	2.0
110.06010	2.4
125.07161	0.9
125.15246	0.4
125.95962	0.3
126.05504	0.4
127.08698	23.9
128.09045	1.3
133.28391	0.3
137.07123	1.9
139.08685	0.4
142.08792	0.4
153.06651	2.5
155.08151	0.7
157.09795	1.2
167.08260	0.9
171.07675	1.4
185.09290	41.4
186.09679	2.4
199.07230	0.9
211.07245	2.2
213.72664	0.3
229.08308	100.0
230.08647	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	229.083
Annotation	H-Pro-Asp-OH
Peak:m/z	Relative Intensity
54.06713	0.8
56.71169	0.7
59.01252	2.5
59.64040	0.6
63.88598	0.7
69.80508	0.7
71.01262	2.2
71.02390	2.0
71.27811	1.3
71.92737	0.7
72.00793	2.5
72.04451	3.7
72.99181	0.9
73.03923	0.6
74.02363	34.2
82.02861	1.1
83.01267	1.1
84.04427	1.0
85.02839	1.2
96.04450	2.5
97.06510	0.7
97.07623	5.7
97.74088	0.7
98.02376	1.5
98.06017	2.9
99.00787	4.1
99.09174	3.1
100.03936	1.4
107.06098	1.1
108.04469	2.1
109.07633	4.5
110.06048	5.9
111.00788	2.0
112.02724	0.8
112.07574	1.7
112.98708	5.8
113.03436	0.7
114.00111	4.4
124.07672	1.0
125.07103	2.4
126.05516	1.7
127.08696	81.6
128.09026	2.2
128.10840	0.8
129.74562	0.7
137.07109	5.1
139.08675	1.5
142.03244	2.9
142.99779	1.1
153.06671	4.5
155.08183	2.8
157.09789	2.9
167.08246	3.6
171.07753	2.7
173.00864	2.1
174.82402	0.8
185.09288	70.1
186.02263	1.6
186.09639	3.8
186.11079	0.9
199.07257	1.4
211.07231	3.3
215.56189	0.7
216.22554	0.7
229.08304	100.0
230.01309	3.3
230.06682	0.8
230.08647	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.17409	0.4
58.31321	0.4
63.23394	0.4
68.35106	0.4
70.45392	1.2
70.45751	0.7
72.00603	0.4
75.48630	0.5
75.80091	0.4
80.47978	0.4
95.01304	0.8
99.92473	0.7
108.02086	0.8
111.08051	1.6
133.81895	0.4
135.32481	0.4
136.01578	0.6
137.02237	0.6
147.43320	0.5
155.62431	0.5
165.12796	20.2
166.13123	1.9
183.13866	100.0
184.14195	8.8
208.93263	0.5
209.11746	2.0
227.07155	1.9
227.12898	26.2
227.16273	2.3
227.20122	2.9
228.13243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03325	1.2
57.96267	0.4
59.01263	1.1
61.98714	0.5
64.42622	0.3
65.01327	0.4
70.08808	2.0
71.04906	0.6
78.79778	0.4
81.74655	0.4
83.04927	1.8
85.02869	0.5
85.82574	0.4
92.17128	0.4
94.67624	0.4
97.06483	1.2
109.06499	0.4
111.08044	4.0
147.11702	0.4
151.11942	0.4
157.05099	0.6
163.11209	1.1
165.12802	26.7
166.13142	1.5
181.12285	0.9
183.13876	49.8
184.14244	3.6
191.10779	0.7
200.05598	0.4
200.59755	0.4
206.10370	0.4
209.11821	13.5
209.15247	0.5
210.12140	1.2
227.03566	1.0
227.12898	100.0
227.16548	3.7
227.20125	4.5
228.13235	10.6
228.15723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.94500	0.4
57.21190	0.3
71.37710	0.6
77.63730	0.3
108.86839	0.3
111.08102	0.6
129.38467	0.4
130.94644	0.3
159.76781	0.4
165.12796	21.6
166.13147	1.9
183.13867	100.0
184.14230	8.4
209.11858	1.2
227.12898	27.8
228.13232	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44563	0.5
52.51543	0.6
53.97071	0.6
57.03341	0.9
61.98712	1.2
71.04910	0.7
71.33676	0.9
71.34015	0.6
71.55711	0.6
81.53052	0.5
90.40977	0.5
92.92725	0.6
94.80444	0.5
95.04827	0.5
99.92493	1.1
99.94802	0.5
111.08078	0.9
127.75066	0.5
129.85036	0.6
139.11194	0.9
155.91913	0.8
165.12807	20.1
166.13162	2.2
183.13873	100.0
184.14192	8.8
198.64801	0.6
209.11835	4.0
227.03497	1.0
227.07141	1.5
227.10930	1.3
227.12889	25.8
227.16397	7.2
227.20090	5.1
228.13237	3.4
228.16580	0.9
228.20540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46046	0.2
57.03313	0.3
57.67661	0.2
59.01257	0.4
62.90593	0.2
65.01337	0.4
69.32478	2.7
70.21058	0.2
71.04916	0.5
76.05634	0.3
80.02560	2.0
81.02939	0.3
81.03358	1.7
83.01275	0.4
83.04918	7.1
84.02063	3.9
84.05223	0.3
95.04910	0.7
97.06471	0.3
98.20528	0.5
125.05991	0.6
125.09618	0.6
135.08089	0.9
147.11676	0.4
163.11246	5.8
164.11603	0.5
165.12813	4.3
174.06699	0.3
181.12328	0.9
183.13884	2.4
184.14157	0.4
191.10791	1.4
199.13385	0.4
201.07852	0.4
209.11824	100.0
210.12163	9.6
216.61275	0.2
227.12885	4.3
227.16562	0.6
227.20180	1.0
228.08817	0.3
228.13219	0.5
228.20500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1652
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
52.93933	0.5
59.01253	1.5
61.98714	1.0
66.18175	0.5
66.21883	0.6
69.03320	0.8
70.09737	2.4
73.46917	0.6
76.30135	0.5
81.94518	0.6
84.43471	0.5
89.19364	0.5
90.38241	0.5
92.15172	0.6
97.02892	0.5
98.19872	0.6
99.92490	1.5
111.08082	0.7
137.02353	0.8
139.11218	0.8
155.29332	0.6
165.12807	11.1
166.13193	0.7
183.04456	0.7
183.13873	54.3
184.14243	4.9
197.15456	11.5
209.11920	4.3
209.15457	12.5
210.15785	1.1
227.03659	3.2
227.07141	1.2
227.10774	3.5
227.12898	17.0
227.16530	100.0
227.19832	9.7
228.13374	1.2
228.16904	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.36808	0.4
57.03361	0.6
59.01265	100.0
60.01595	1.5
60.99210	0.6
61.98735	0.8
64.93009	0.4
66.59604	0.4
71.01282	1.2
71.04914	0.8
71.12333	1.0
71.84214	0.5
73.02850	0.5
83.17348	0.5
85.02848	0.8
87.00783	0.6
92.42314	0.4
101.02356	1.4
113.02341	0.7
121.02874	0.7
135.04427	2.3
137.02370	1.2
138.03191	0.5
145.93912	0.5
149.02373	1.0
153.05502	0.5
161.04515	0.6
161.13275	0.6
163.11197	0.7
164.04695	0.6
165.01920	0.8
179.10753	0.7
193.01408	3.0
196.06175	0.5
198.41180	0.5
208.03777	4.1
223.06081	2.2
223.09952	1.0
223.13402	18.8
224.13707	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	224.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.4
61.98703	0.7
69.29542	2.0
82.03983	0.2
90.27464	0.2
93.03360	3.3
96.95913	0.3
98.20578	0.5
100.77804	0.2
106.04143	0.3
117.03387	0.5
117.39375	0.2
126.97811	0.2
132.02051	0.2
137.02383	0.4
153.12785	0.7
165.01903	0.3
169.06503	0.8
180.05722	0.3
181.06496	0.4
181.12392	0.2
184.07584	0.3
193.06664	0.4
195.02957	0.3
195.08142	3.0
196.05255	0.4
196.08887	1.0
197.06055	12.3
197.11928	0.4
198.06393	1.2
204.00932	0.2
207.13843	0.6
209.06209	0.3
221.06041	0.7
222.06772	0.8
223.07652	53.7
224.08405	100.0
225.08788	10.6
225.10886	0.6
225.14951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.95765	0.5
57.03327	1.0
59.01267	7.6
61.98713	2.3
63.84373	0.6
66.58926	0.6
69.03342	0.8
71.01271	1.2
76.53393	0.5
81.03306	0.5
83.04932	3.7
87.12563	0.5
93.03347	1.4
98.20650	1.3
101.02357	0.8
103.86713	0.5
109.06490	1.3
120.18912	0.5
125.02382	0.5
137.02319	0.8
153.12770	3.0
157.05101	0.9
161.09715	0.7
163.00246	0.7
163.11230	15.8
164.11560	1.6
165.01912	0.9
171.13890	1.3
180.04163	0.6
181.12300	100.0
182.12625	7.9
187.57690	0.6
195.02924	1.5
195.06628	0.6
197.11853	1.8
203.90178	0.5
207.10236	2.0
210.05296	1.1
225.05687	0.8
225.07680	1.6
225.11328	27.8
225.14952	1.7
226.11687	3.0
229.34387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57193	0.2
52.32811	0.2
57.03325	0.4
71.16207	0.3
71.16529	0.4
75.32246	0.3
83.04917	0.4
85.27482	0.3
88.94196	0.2
94.52776	0.2
111.08040	0.7
116.95964	0.2
140.78145	0.2
153.24010	0.2
161.48665	0.3
163.11270	0.4
165.12804	20.3
166.13148	1.8
177.52815	0.3
181.12489	0.3
183.13873	100.0
184.14214	8.2
189.87825	0.2
209.11823	3.9
210.12073	0.4
227.03705	0.4
227.12898	23.7
227.20087	0.6
228.13222	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	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03343	0.8
59.01263	23.4
61.98714	7.8
69.03342	5.7
71.01274	2.3
71.04902	2.3
71.52651	0.8
73.02853	1.7
74.98948	1.0
81.61890	0.7
83.01283	0.9
83.04910	0.8
85.02834	2.0
85.06503	0.9
89.02354	0.7
93.03372	1.2
95.04965	1.0
95.13027	0.6
101.02351	2.8
109.06503	1.9
113.02374	1.1
121.02862	0.9
123.04414	0.8
131.03439	0.7
135.04453	1.0
141.01657	4.6
141.09187	0.9
149.00940	0.9
149.02377	1.0
149.09662	1.5
151.03889	0.8
157.97957	0.6
161.04536	1.0
161.13283	1.2
162.91051	0.7
163.03801	0.8
163.06018	0.8
164.04776	1.3
165.01987	1.0
165.66389	0.8
166.06296	3.0
167.10724	8.1
168.11063	1.1
177.12808	1.9
179.10773	4.3
179.14380	9.2
187.11424	0.8
193.01448	4.1
195.12073	1.4
195.13867	24.8
196.14214	2.3
205.12335	21.5
206.12646	2.2
208.03758	4.3
222.95219	1.0
223.02794	8.5
223.06126	3.0
223.13397	100.0
224.02925	1.4
224.13734	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	223.025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01267	3.2
69.74317	0.8
69.74725	1.5
71.01260	0.8
72.99189	0.9
75.00775	0.5
85.02863	2.0
93.03362	1.4
101.02372	0.4
105.80695	0.4
107.04917	1.0
111.00751	0.7
118.83143	0.3
121.02875	9.2
129.01865	0.7
134.03648	1.3
135.04453	100.0
136.04776	6.7
137.02380	0.8
149.02376	4.1
152.01071	1.1
152.24994	0.3
163.03983	1.2
164.04733	2.3
165.01888	1.2
179.07109	1.1
193.01419	4.7
205.03491	0.9
208.03775	6.7
209.04199	0.6
223.02711	0.7
223.06219	4.1
223.13327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0284
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01265	3.3
59.96601	0.6
61.98703	0.6
70.68405	0.5
71.01266	0.4
73.02833	0.4
74.98962	12.0
75.96101	0.6
75.98915	0.4
93.00034	8.0
93.99963	0.3
97.02869	0.1
101.02313	0.4
110.92978	0.2
111.96609	0.1
113.02351	0.2
121.02887	0.3
129.25064	0.1
135.04425	0.3
141.01620	0.5
149.00897	9.1
150.00920	0.6
150.98782	0.4
151.03972	0.2
161.04549	0.2
164.04781	0.3
165.01895	0.4
166.06273	0.5
172.95059	0.2
182.51398	0.2
193.01416	0.7
195.13916	0.6
206.68204	0.2
206.99702	4.3
207.99739	0.6
208.03693	1.2
208.97504	0.2
223.02838	100.0
223.13286	1.1
224.02867	13.7
225.00821	0.5
241.03946	2.6
242.03957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.53347	1.5
59.01253	5.7
62.50593	1.3
63.16760	1.3
70.14648	1.3
70.50656	1.3
70.85467	3.2
70.85799	1.6
77.41405	1.3
87.00774	22.0
87.72886	1.6
91.05435	66.1
92.05777	3.6
112.22322	1.6
117.07022	21.3
126.26994	1.5
133.06517	44.0
134.06859	2.8
135.04446	9.7
147.70313	1.4
149.02391	2.3
161.06033	60.7
162.06358	4.6
163.03958	98.6
164.04276	8.4
179.07108	7.6
205.05046	2.8
206.00325	1.5
208.03822	1.9
217.32787	1.4
223.06120	100.0
224.06424	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	218.0281
Annotation	Pulicatin D
Peak:m/z	Relative Intensity
57.62441	0.6
57.97437	1.2
59.01264	33.6
60.01598	11.1
61.01676	1.6
61.98711	2.1
65.99740	1.4
69.89768	3.3
71.01264	1.5
75.00745	1.9
81.97446	4.6
83.01207	0.7
87.00800	0.7
88.03922	1.8
93.03313	0.9
96.95888	1.0
98.95474	0.9
101.02292	0.8
102.03395	0.9
128.04994	0.8
129.05772	1.2
130.06557	17.5
131.06897	1.5
133.01344	1.7
141.36058	0.6
147.04474	1.2
148.99469	0.7
149.00531	1.5
156.04488	10.4
156.05701	1.1
157.05168	0.9
162.03796	1.3
174.99165	3.1
175.03862	1.1
175.07574	0.7
175.99561	5.4
190.03287	30.1
191.03496	2.8
204.04268	0.8
218.00664	10.7
218.02779	100.0
218.12695	1.5
219.00822	1.3
219.03116	11.9
219.05023	1.3
219.06703	1.6
219.10258	1.8
219.17535	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
56.93901	0.8
59.01270	6.0
71.01274	15.6
71.04910	24.3
71.08292	2.2
75.00777	1.5
88.03936	100.0
89.04265	1.5
97.12244	0.9
98.63946	1.0
99.04423	8.7
116.07125	4.1
125.29134	0.9
129.05510	1.7
143.03333	0.8
146.08165	52.0
147.08536	3.1
174.01959	1.3
175.02460	0.8
175.04056	0.8
218.10329	30.2
219.03162	1.3
219.10594	3.1
219.17540	25.9
219.62753	0.9
229.75949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0875
Annotation	Isoharringtonic acid
Peak:m/z	Relative Intensity
52.41953	1.0
54.74742	1.2
57.13260	1.1
58.57987	1.0
59.01263	10.0
60.24776	0.9
61.98708	2.5
70.30169	1.0
71.01286	5.6
71.59569	1.5
72.99197	27.9
73.02827	1.4
75.00760	3.1
83.02354	1.3
94.07610	1.2
95.08550	2.2
97.06491	1.2
98.16977	1.2
99.00748	1.9
99.08032	2.6
106.94106	1.0
109.03979	1.1
113.09638	15.8
115.07530	2.8
127.07588	14.7
128.60262	1.1
129.01874	1.4
129.09138	100.0
130.09442	4.1
143.05960	2.6
143.07072	48.4
144.07385	2.2
147.04454	2.1
148.05093	1.3
157.08650	29.6
158.08958	2.1
173.08156	8.0
174.81973	1.3
175.03987	2.2
175.07596	1.9
175.09602	1.8
191.07314	1.4
204.04253	2.7
205.12294	2.0
219.03026	2.8
219.06851	2.7
219.08707	67.1
219.17545	47.6
220.09071	5.2
220.14645	10.4
220.17902	4.7
225.13768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0878
Annotation	CJ 15801
Peak:m/z	Relative Intensity
59.01258	5.1
63.20723	1.1
70.02869	2.2
71.01272	10.3
71.33448	1.6
78.43089	1.2
84.12049	1.2
88.03938	100.0
88.76922	1.0
89.04260	2.0
96.99212	5.6
100.07583	68.6
101.05988	27.6
101.07855	2.6
114.01917	8.4
115.00298	23.7
132.02963	4.7
154.08704	4.6
163.50879	1.1
172.09773	30.0
173.10039	1.9
186.87657	1.1
198.07736	9.3
216.01294	6.3
216.08784	65.8
217.08995	4.2
217.14690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15356	0.3
59.01257	0.9
59.30340	0.4
62.93676	0.4
66.89096	0.4
67.12643	0.4
68.52100	0.4
69.45604	1.2
69.46028	2.1
71.01272	81.7
72.01597	2.1
98.20565	0.5
101.05988	100.0
102.06313	4.2
115.00291	16.9
116.00441	0.4
133.01357	1.4
144.07411	0.3
154.42531	0.4
158.07188	0.4
159.04539	0.4
173.06013	2.0
174.28273	0.4
185.75114	0.4
187.04158	0.4
202.06339	1.2
217.05125	0.5
217.06995	0.6
217.08856	0.6
217.10686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01251	1.3
61.98717	1.0
71.01271	1.8
71.59775	1.0
86.49197	0.5
91.84949	0.6
98.15896	0.6
99.98882	0.7
103.45505	0.7
125.09637	1.1
127.11203	2.8
141.12703	1.5
144.00851	5.3
153.12759	0.9
155.10678	1.3
169.12315	0.7
171.01939	1.0
171.10220	9.7
172.00327	0.9
179.10675	1.0
185.11815	1.2
197.11815	4.8
213.11266	5.1
215.00983	46.2
215.12883	100.0
215.99483	0.7
216.01297	4.1
216.13220	9.9
220.78149	0.7
224.55254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60857	0.2
59.01265	10.1
59.10592	0.2
69.03341	2.8
70.05209	0.7
70.05631	0.5
70.18660	0.2
82.42025	0.2
93.03358	0.2
98.19743	0.3
106.06073	0.2
111.96709	0.2
117.07037	0.3
119.04929	1.5
120.60220	0.2
122.03584	0.2
123.04465	0.2
127.05451	0.6
129.03395	2.4
129.07033	0.4
130.04187	1.7
131.04950	0.7
132.49759	0.2
132.98039	0.2
135.04405	0.5
139.63811	0.2
143.04959	2.7
144.05748	0.2
145.02882	0.5
145.06534	9.1
146.03654	3.9
146.06870	0.7
147.04456	46.2
148.04778	3.1
154.04150	0.3
155.04976	6.9
156.05666	1.3
158.03667	2.5
159.04460	48.9
160.04930	4.2
161.02373	0.6
161.06027	1.4
162.06784	0.9
165.01949	0.3
169.06532	0.5
171.04506	0.5
172.05249	12.1
173.06033	100.0
174.03183	2.1
174.06367	8.9
174.99208	2.4
175.03964	10.3
175.07338	0.2
176.04338	0.8
183.04469	0.7
184.05247	0.5
185.06032	1.7
186.06715	0.7
187.04073	2.2
187.07611	23.0
188.04758	0.5
188.08090	2.7
197.06085	0.8
198.06874	0.2
199.07574	0.5
200.04768	1.1
201.05548	17.3
202.05850	1.5
204.04236	0.5
215.07141	7.3
215.49892	0.2
216.07906	39.0
216.95345	0.2
217.00244	2.8
217.08281	4.7
217.12466	0.4
219.12897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01271	0.3
64.33788	0.2
69.45310	0.2
69.45615	2.0
93.16933	0.2
115.61580	0.2
165.12860	0.4
177.12816	0.4
183.13882	24.3
184.14203	2.2
195.13895	20.6
196.14256	1.8
211.13432	0.7
213.14960	100.0
214.15305	10.5
215.90312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.52437	0.5
55.15438	0.4
56.64435	0.5
57.03301	0.4
59.01266	4.6
61.98720	3.4
65.01321	0.7
65.81161	0.4
65.99744	0.8
71.01265	1.5
71.61456	0.9
72.99199	0.6
73.02828	0.8
83.04867	0.5
99.00790	0.7
107.02425	0.4
109.06484	4.4
118.04095	0.5
118.25110	0.4
123.08078	2.0
125.09644	41.9
126.10004	3.0
127.63808	0.4
134.03506	0.6
144.00850	2.9
151.07581	4.7
152.56595	0.4
153.09151	20.8
154.09480	1.3
168.58147	0.5
169.08701	3.6
171.01892	0.5
171.10226	25.7
172.10582	1.6
173.04588	0.5
197.08177	31.4
198.08502	2.4
198.20819	0.4
212.23921	0.4
215.00999	25.1
215.09242	100.0
216.01277	2.5
216.09558	8.0
233.09053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.61720	0.3
54.51273	0.3
58.62802	0.4
59.01261	1.0
59.56480	0.3
61.98716	2.0
69.03336	1.5
69.55949	2.2
71.01272	0.5
83.04931	0.6
85.02819	0.6
89.02373	0.4
90.46790	0.3
121.02814	0.6
123.00769	0.4
123.04456	0.4
123.08015	0.4
136.62750	0.4
138.85355	0.4
139.03943	0.6
141.05574	0.3
151.06036	0.7
155.26376	0.3
165.12787	0.6
166.91092	0.7
167.06000	0.4
167.10739	3.1
167.14369	1.7
181.01381	1.3
181.04997	0.5
183.13864	13.9
184.14162	1.1
193.12317	3.0
194.12631	0.4
196.03812	1.1
211.06088	1.1
211.13385	100.0
212.03571	0.6
212.13737	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	213.0557
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
57.03347	0.2
59.01254	0.5
61.98706	0.4
69.34795	0.9
69.35226	0.5
81.97553	0.1
83.04910	0.1
83.46449	0.1
85.08217	0.1
87.00776	0.4
93.03360	100.0
94.03693	4.6
98.19746	0.3
142.02888	0.1
151.11229	0.2
168.91084	0.2
169.06541	10.3
169.12305	0.5
169.15939	0.2
170.06833	1.1
170.07967	0.1
183.13849	0.2
185.06073	0.2
194.99318	0.1
195.10336	0.2
195.13879	0.2
213.05566	18.9
213.11082	0.7
213.14946	3.8
213.18544	0.6
214.05914	1.9
214.15282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
51.75445	1.4
55.07725	1.5
56.59864	1.3
64.97059	1.5
69.03339	3.7
70.42680	2.4
70.43080	2.9
71.01263	2.3
72.09213	1.6
85.02880	1.5
93.03337	1.6
97.99996	1.7
98.20470	2.2
98.84058	1.5
113.02359	69.4
114.02660	1.5
120.75147	1.4
120.76062	1.8
125.09694	1.8
127.55457	1.9
134.98627	1.3
137.09630	2.4
169.10641	5.7
169.12297	100.0
170.12689	8.8
171.97382	1.6
179.10797	1.6
195.08488	3.2
195.10193	2.8
213.05736	3.3
213.09514	2.8
213.11339	49.3
213.13261	3.0
213.14850	9.4
213.18552	2.2
214.11578	4.2
214.14552	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	209.1182
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.29566	0.4
57.03340	3.5
59.01265	100.0
60.01595	0.9
65.43251	0.4
69.85925	2.6
80.02584	0.7
81.03353	1.4
82.15530	0.4
85.02836	0.5
96.95876	0.4
97.06473	2.4
109.06516	3.1
111.49673	0.4
121.02880	12.1
122.03257	0.7
123.08024	0.4
136.01506	0.4
165.12805	3.9
179.03496	0.7
182.83015	0.4
194.02087	0.9
194.05893	0.6
209.04587	2.2
209.11826	15.5
210.12138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.3
61.98713	4.7
65.00206	1.3
65.01344	1.4
65.64530	1.0
67.02867	1.0
71.37315	1.7
72.99175	1.1
74.75474	1.0
91.02959	1.1
95.01240	1.6
97.02843	4.1
106.04041	1.2
109.03906	1.3
121.02882	1.5
137.02365	1.9
139.03972	1.5
142.04031	1.6
148.05064	1.1
153.00685	1.7
153.01886	26.3
154.02422	1.1
157.04010	1.3
157.05167	3.1
158.03517	1.6
167.10753	1.2
169.05138	1.1
181.01392	100.0
182.01669	4.7
183.13843	1.3
185.04593	1.7
196.03751	96.3
197.04089	7.6
204.93254	1.0
211.06090	31.0
211.09592	2.3
211.13383	9.6
212.06392	1.6
223.26193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
53.70794	0.8
55.01764	1.3
57.03347	9.6
58.62484	0.9
59.01266	12.5
60.77304	1.0
62.60816	0.7
68.99709	1.0
69.44283	7.5
71.01267	21.9
72.99200	4.4
75.00749	3.6
83.01278	2.2
84.02051	3.7
85.02842	100.0
86.03183	3.5
87.00768	3.4
89.02335	8.7
103.00277	1.7
115.00259	2.4
121.02849	9.5
124.03954	1.0
129.01855	9.0
133.01340	8.7
135.72902	0.8
137.02386	1.2
147.02901	3.3
165.05508	1.2
173.00865	2.0
179.03450	1.8
191.01942	35.1
191.82233	0.9
192.02249	1.4
194.02184	2.1
194.05811	1.6
209.02989	39.6
209.08264	1.3
209.11850	2.5
210.03300	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	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03336	9.2
58.00484	1.0
59.01266	12.6
62.72108	0.7
65.91138	0.7
68.01286	0.8
68.65732	0.7
69.52486	5.1
70.57008	0.7
71.01270	19.1
72.99186	5.0
75.00760	4.4
81.54375	0.7
82.69633	0.8
83.01267	1.8
84.02062	2.4
85.02847	75.5
86.03168	2.7
87.00786	2.2
89.02338	8.3
91.63512	0.7
94.02882	0.8
95.01299	1.1
98.02406	0.9
98.19894	1.7
101.02349	1.2
103.00299	2.3
105.03416	1.0
106.04626	0.8
108.02110	0.8
111.00792	0.9
115.00295	1.3
120.02090	1.4
121.02875	100.0
122.03177	5.5
123.04485	1.6
125.03542	0.9
129.01869	6.7
133.01340	7.0
147.02863	1.4
150.03159	2.0
151.03900	2.1
151.63112	0.9
161.02335	4.4
166.05060	1.5
176.04723	2.2
178.99866	1.6
179.03462	7.2
183.06674	1.2
191.01961	30.0
191.07137	0.9
192.02228	1.3
194.02164	2.9
194.05867	7.8
209.02991	26.2
209.04620	12.4
209.08292	4.1
209.11873	2.3
210.03313	1.7
210.07977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91262	0.6
57.03334	1.0
58.02864	58.9
59.00967	0.9
59.01266	15.1
59.03207	1.0
65.01339	0.7
68.01286	0.7
70.02863	13.1
70.03216	0.8
71.01275	1.5
71.08033	1.7
72.00797	6.2
75.00783	2.3
79.58486	0.7
85.02872	0.8
91.05439	5.8
93.03368	0.7
97.03999	1.0
99.00803	0.8
109.39982	0.7
112.46085	0.7
119.73846	0.7
129.01862	2.4
135.04430	2.3
135.05658	0.6
147.02852	1.4
147.03052	1.5
147.04454	33.3
148.04939	2.4
149.02377	1.5
162.09229	1.3
163.03888	0.7
164.07121	100.0
165.07460	7.3
177.01918	7.2
179.03644	0.7
186.62723	0.8
192.04272	8.3
206.08214	47.4
207.06581	2.4
207.08556	4.6
207.10330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02863	37.5
58.42619	0.5
59.01258	4.4
59.03215	0.8
69.87794	3.3
70.02864	12.6
71.01257	0.8
72.00800	5.8
75.00803	0.8
84.69810	0.6
91.05435	11.0
99.00782	0.7
131.07669	0.7
134.73378	0.6
135.04448	1.6
147.04465	34.7
148.04829	2.7
162.09196	1.9
164.07129	100.0
165.07487	7.5
177.01871	2.0
192.04263	1.2
205.31676	0.6
206.08212	46.2
207.08473	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	206.082
Annotation	Thalifoline
Peak:m/z	Relative Intensity
54.50560	0.5
58.02864	2.4
59.01269	3.2
59.01505	0.5
65.00250	0.5
65.99742	2.2
66.03373	2.1
69.96990	2.3
71.01277	0.6
80.02556	0.7
81.03353	0.7
84.00787	3.3
91.05449	0.7
92.47444	0.5
93.03341	1.4
95.04920	1.9
96.00822	3.0
98.19830	0.7
105.03368	0.9
107.04945	1.4
109.02863	18.7
109.06522	0.7
110.03201	0.6
117.03390	2.1
119.04957	2.2
121.02865	5.7
121.06538	1.8
122.03679	5.7
123.04438	92.6
124.01567	4.1
124.04753	3.7
129.03387	0.8
133.02899	1.3
135.04428	4.9
137.02388	0.8
137.06036	1.6
138.03134	0.6
139.03951	0.7
143.07988	0.5
144.11938	0.5
145.02895	1.1
147.03165	1.6
147.04434	10.5
148.05185	2.2
149.02390	0.9
149.06015	5.8
150.01927	5.8
150.03122	0.8
160.03984	0.9
161.02367	1.9
161.06029	1.4
163.02771	0.9
163.04004	3.5
163.07588	7.5
164.07109	20.7
165.04242	6.7
165.05536	11.7
165.06973	0.9
165.07465	0.6
166.05884	0.6
176.07112	1.1
177.01865	3.1
178.05141	0.8
179.03438	0.5
179.07016	1.2
188.07156	2.3
189.01878	2.0
191.02216	1.1
192.02762	0.9
192.04236	2.4
206.04579	5.4
206.08212	100.0
207.03008	0.8
207.05023	1.1
207.06668	1.7
207.08510	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	206.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08960	3.7
55.62477	3.7
57.03334	9.5
58.00474	6.3
59.01260	55.3
60.99173	7.8
62.13815	3.6
68.63534	3.7
68.99686	6.9
70.93301	8.4
70.93646	5.6
71.01272	44.9
71.04880	5.2
72.99200	41.5
75.00775	22.4
83.01294	5.5
84.70390	3.9
85.02836	16.1
87.00774	57.4
88.01136	9.1
89.02340	6.8
95.01262	5.0
96.99187	3.8
99.00769	11.6
99.04419	9.2
100.01120	6.4
100.04760	15.3
100.98708	8.2
101.02339	21.5
102.02666	9.9
103.00265	16.3
112.98719	15.0
113.02286	7.5
115.00297	9.4
115.03876	4.3
116.04227	6.1
117.01874	7.2
125.02348	14.4
126.02710	60.3
129.01888	21.1
130.99796	100.0
131.03432	6.4
144.00568	26.2
144.03685	7.0
144.07437	4.7
145.01360	60.4
146.01744	22.9
146.05302	5.8
157.01389	25.5
188.02724	20.1
192.04189	6.5
206.04141	56.6
207.05026	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.45055	0.1
59.01264	2.0
59.16241	0.1
61.98728	0.2
63.05061	0.1
63.98777	0.1
65.27153	0.1
66.14690	0.1
71.01266	0.9
71.15952	0.2
71.16281	0.2
72.99195	0.5
73.02865	0.1
75.00774	0.3
77.67662	0.1
79.10442	0.1
84.04471	0.1
85.02862	0.4
87.00784	0.5
96.91265	0.2
99.00797	0.4
101.29370	0.1
115.00308	0.7
115.07554	0.6
127.04018	0.1
129.01805	0.2
129.05511	0.2
133.02823	0.2
161.02364	0.2
161.06039	0.2
162.89320	0.2
189.12840	1.4
190.13136	0.1
205.01631	0.3
205.05052	0.4
205.15977	100.0
206.04501	0.2
206.16322	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	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.3
59.01271	5.9
59.01763	0.9
63.38394	1.2
63.45515	0.9
69.77538	7.0
71.01278	1.9
72.99203	42.6
73.02835	3.8
75.00770	2.5
81.07006	2.7
85.06490	3.2
87.00777	1.4
88.90446	1.1
90.05467	1.0
92.29204	1.1
97.06470	1.4
99.08059	12.9
101.06012	1.5
113.05991	5.6
115.07568	100.0
116.07912	4.6
125.06048	2.2
129.05508	63.7
130.05844	2.0
143.07091	33.1
144.07420	2.5
148.10222	1.1
159.06586	3.7
164.75418	1.2
174.18443	1.1
205.07195	33.8
206.07458	2.7
218.55112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0869
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
55.01794	0.2
59.01263	3.5
60.25966	0.2
61.98717	0.4
65.01324	0.2
67.02916	0.2
68.99703	0.3
69.59013	1.6
71.01279	2.1
72.99195	2.0
73.02840	0.5
75.00768	0.8
82.03999	0.2
82.22952	0.2
83.01276	0.3
85.02840	0.7
87.00765	1.0
93.03358	0.3
96.99208	0.3
98.19850	0.2
99.00787	1.0
99.08060	0.3
109.04011	0.3
111.00791	0.6
113.02405	0.2
115.00275	2.1
115.07550	1.6
117.01892	0.4
121.02901	0.2
121.03858	0.2
121.05114	1.7
124.98706	0.4
127.00285	0.2
129.01888	0.5
129.05524	0.9
131.04971	0.2
133.02890	0.4
133.06476	0.2
134.03577	0.3
136.05077	0.3
137.02380	0.6
139.04042	0.3
142.99788	0.5
143.07112	0.8
145.01346	0.4
147.04456	2.9
148.05238	3.8
149.06026	3.6
154.99789	0.4
159.04526	0.2
160.01517	0.2
161.02382	53.6
162.02739	3.6
162.89365	0.3
163.03961	0.3
163.06207	0.3
163.11288	0.2
168.34566	0.2
172.05272	0.4
175.02582	0.5
175.03954	11.6
176.04726	7.1
177.01816	0.4
177.05461	1.0
178.06062	0.3
187.07642	0.9
189.05426	0.3
190.02676	0.7
191.03511	1.0
205.08681	100.0
205.15923	2.2
206.04733	0.2
206.09026	9.8
208.03755	9.9
209.04082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.4
59.01260	10.0
68.99681	1.2
70.39687	2.4
71.01271	8.2
72.99197	43.8
73.02837	3.5
74.96620	0.7
75.00765	3.7
81.06989	3.1
85.02857	2.2
85.06487	2.7
87.00772	4.5
97.06466	0.9
98.89232	0.7
99.00771	4.0
99.08049	14.5
101.05988	3.1
103.00302	1.2
107.91367	0.7
111.00715	1.0
111.98865	0.8
113.05982	9.3
115.00286	7.5
115.07562	100.0
116.07912	4.1
121.49675	0.7
124.98714	0.9
125.06013	2.0
127.29945	0.8
129.01846	1.1
129.05496	56.4
130.05814	1.8
136.65271	0.7
140.18063	0.7
142.99762	1.3
143.07072	41.7
144.07399	1.8
145.01335	1.8
154.99771	0.9
159.06581	7.3
161.04448	1.0
161.08151	1.6
205.07146	77.0
205.15970	2.8
206.07491	4.8
206.09132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09756	0.8
53.70778	0.7
53.77914	0.7
59.01258	2.4
59.04382	0.7
61.21536	0.7
68.86679	0.8
70.74313	1.8
70.74667	1.4
71.01279	1.0
72.19309	0.7
72.99200	29.8
75.00767	0.8
81.06989	2.0
85.02820	1.1
85.06480	1.0
99.00794	0.8
99.08061	9.6
101.05957	1.4
113.06016	6.6
115.07567	100.0
116.07895	5.2
118.82034	0.7
121.82344	0.9
125.04488	0.7
125.06032	1.6
129.05504	57.3
130.05861	1.7
143.07080	48.7
144.07419	1.2
159.06572	7.5
161.08199	1.9
190.57007	0.7
205.07167	92.9
206.07494	5.9
208.15622	0.7
217.90117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.0
60.31503	0.6
70.44391	0.5
70.44745	1.9
71.01263	1.1
72.99195	34.3
73.02850	1.0
73.99545	0.5
75.00771	1.9
81.06997	2.3
85.02836	0.9
85.06496	0.9
87.00767	0.5
89.23930	0.4
97.06490	0.9
99.00764	0.7
99.08051	13.5
100.08451	0.6
101.05982	2.1
113.05999	7.6
115.00269	1.3
115.07558	100.0
116.07899	4.0
123.96336	0.5
125.06007	2.2
129.05493	67.0
130.05806	2.5
131.07150	0.6
133.02855	0.5
143.07069	39.6
144.07411	1.6
159.06563	5.2
161.08134	0.9
205.07150	50.3
206.07486	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39888	6.5
54.24284	6.8
54.47773	6.3
57.44849	6.8
59.01272	7.4
60.33041	5.6
63.76881	5.8
71.01257	11.8
71.01762	13.3
72.99193	27.2
99.00803	8.3
99.08012	5.4
113.05952	6.6
115.00278	6.8
115.07561	95.6
116.10291	6.2
129.05505	48.2
143.07062	58.9
205.07156	100.0
206.07301	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85179	0.3
58.00487	0.7
59.01265	3.7
61.00709	0.4
61.98714	0.8
63.29499	0.4
65.99724	0.6
69.03324	0.6
69.46189	1.7
69.46626	1.2
70.80462	0.4
71.01280	0.6
72.91508	0.3
72.99203	0.6
73.02836	9.0
75.00770	0.9
85.06496	3.4
95.01220	0.4
95.04951	0.5
97.06518	1.1
101.05978	6.3
105.01897	0.3
113.05996	13.3
114.06336	0.4
115.07561	100.0
116.07890	4.3
131.04947	0.7
159.04431	0.6
159.06577	4.6
160.06866	0.4
161.04585	0.4
175.04002	0.4
188.04837	0.6
202.99939	0.4
203.03539	1.0
203.05623	1.3
203.07295	0.5
203.08937	0.4
203.10751	0.8
203.71483	0.4
204.02956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	7.7
57.03319	5.0
58.00468	4.6
59.01261	88.7
60.99183	3.6
67.01776	2.5
68.99704	15.3
70.19388	5.2
71.01268	100.0
72.01611	2.2
72.99194	67.5
73.02834	10.9
75.00765	43.6
80.99704	1.5
83.01277	12.6
84.99184	2.1
85.02829	7.8
87.00770	61.9
89.02337	8.3
96.99202	6.4
98.00024	1.8
99.00771	46.9
99.04404	3.0
99.08018	2.4
100.01113	1.8
100.98669	4.2
101.02339	12.0
103.00242	9.7
111.00792	15.4
112.98720	14.3
113.05978	2.3
115.00282	97.2
115.07554	32.3
116.00602	3.1
117.01830	17.4
124.98732	15.8
125.02326	6.6
127.00273	11.1
129.01866	23.7
129.05499	22.1
130.99791	25.9
133.01338	1.9
142.99803	26.5
143.07068	12.1
144.00549	6.5
145.00217	1.9
145.01360	37.7
154.99806	16.8
157.01300	10.5
159.02953	1.7
159.06535	2.3
173.00893	3.4
175.02466	11.0
178.69380	1.3
187.02406	3.1
187.30907	1.5
204.64914	1.6
205.03487	9.0
205.07141	19.8
205.15930	5.5
206.04324	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	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25164	0.7
54.33958	0.7
58.00477	0.9
59.01262	6.6
70.92808	2.2
71.01253	1.8
71.66836	0.6
72.99208	1.4
73.02831	7.9
75.00777	0.8
85.02856	0.8
85.06499	3.6
97.06512	2.0
101.05994	6.2
113.05996	11.3
115.07565	100.0
116.07911	4.5
120.49466	0.7
133.18587	0.7
154.32109	0.8
159.06616	4.6
159.10225	0.7
175.03900	2.1
203.03497	0.9
203.05533	1.1
203.10747	1.1
204.02957	1.2
204.10323	0.8
220.39134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.59914	0.3
57.03338	6.7
59.01271	2.5
64.24027	0.3
65.01358	0.4
69.03339	0.7
70.75340	0.6
70.75694	1.0
71.04907	0.6
75.71973	0.4
83.04938	0.5
91.85076	0.4
111.08076	5.5
129.50728	0.3
132.05577	0.4
133.04028	0.4
137.09648	2.5
139.11218	93.4
140.11560	6.4
148.68512	0.4
157.12306	1.7
175.06267	0.5
183.10233	41.4
184.10585	3.6
201.11304	100.0
202.05060	0.4
202.11647	8.3
210.78613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9572
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57771	56.9
80.50227	41.0
80.63261	36.2
81.37389	38.3
99.92468	89.0
107.94137	37.3
119.03050	37.5
119.84277	33.5
141.93550	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	202.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74905	0.6
59.01263	11.6
61.32901	0.6
69.56003	0.6
71.00322	0.6
71.01228	0.7
71.16492	1.3
74.52763	0.8
80.75063	0.7
85.86293	0.7
88.39536	0.6
99.00740	0.8
101.03855	2.3
115.07526	1.0
116.92742	1.4
117.03358	3.9
119.04957	7.0
129.07011	1.2
131.04930	0.9
137.23796	0.7
143.04991	1.2
144.28424	0.7
145.02887	47.0
145.06523	8.5
146.03241	3.9
146.06856	1.2
149.02380	2.4
158.03671	11.3
159.04462	20.2
160.04865	2.0
163.03975	4.5
173.02400	100.0
173.06017	42.3
174.02989	14.5
174.06807	51.1
174.99142	1.1
175.03972	0.8
175.07399	6.0
184.04787	0.7
185.49858	0.7
187.03975	21.8
187.07475	1.0
188.04520	3.3
201.05481	2.1
202.06310	89.3
202.09534	3.5
202.94125	1.5
203.03651	1.3
203.07037	24.1
203.10786	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39892	0.2
58.02867	0.3
59.01266	100.0
60.01601	1.4
65.99744	0.3
69.34016	2.5
71.01287	0.3
72.99197	0.2
73.02847	0.3
78.03394	0.2
80.32378	0.2
83.04901	0.3
87.04410	0.5
87.44683	0.3
93.03362	0.4
95.46837	0.2
97.06542	0.3
99.92525	0.2
107.04953	0.3
109.02819	0.3
115.02431	0.3
116.73678	0.2
116.92834	0.3
117.03342	0.4
118.94132	0.5
125.09615	0.5
130.96481	0.2
132.05612	0.4
133.06509	1.2
135.04456	0.6
139.11229	1.6
143.04979	0.3
145.02939	0.3
157.03516	2.1
158.03699	0.7
158.06075	1.3
159.01447	4.9
159.04410	0.4
160.01581	0.5
160.07611	3.7
172.05292	0.7
173.02406	0.9
173.06015	1.4
175.06180	0.4
175.07585	0.3
183.10216	0.4
184.07637	1.0
186.06816	0.4
187.02570	0.3
187.04015	3.5
201.02527	13.3
201.05583	2.0
201.07608	0.6
201.09235	1.5
201.11276	2.1
201.14980	1.1
202.02747	2.1
202.06638	0.4
202.08698	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03351	0.2
59.01270	0.4
65.01328	0.3
69.03337	0.2
69.41062	0.1
69.41467	1.0
71.01287	0.1
83.04923	0.4
91.02933	0.1
97.66004	0.1
131.03564	0.1
135.08119	0.2
137.08578	0.3
137.09645	6.4
138.09981	0.5
155.10716	100.0
156.11052	7.3
172.05072	0.1
181.08641	0.8
199.09737	10.3
200.10147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01780	0.5
57.03365	0.3
59.01262	1.1
61.98715	1.1
69.03336	0.6
70.00166	1.8
71.04915	1.1
73.89378	0.3
75.26861	0.3
83.01319	0.3
83.34835	0.3
95.01297	0.4
95.04934	0.4
96.95901	0.3
97.06493	13.8
98.06812	0.6
99.08064	4.4
99.16458	0.3
109.06520	0.6
116.92747	0.6
121.02872	0.8
122.03636	1.7
123.00826	2.3
125.02383	0.4
125.09658	0.7
126.03162	0.6
137.09599	1.5
138.03137	0.5
147.42702	0.3
149.74261	0.3
151.11209	1.2
152.76627	0.3
153.02010	0.4
153.05525	0.7
153.12793	100.0
154.11855	0.5
154.13124	9.2
162.83842	1.0
166.99803	2.1
170.02451	0.4
179.10735	23.3
180.11107	2.0
182.02148	4.8
197.04643	1.8
197.08127	0.6
197.11810	11.2
197.15451	6.7
197.80823	0.7
197.90286	0.5
198.12202	1.0
198.15709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1545
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
55.97285	0.4
57.03330	2.7
59.01254	1.1
59.20158	0.3
61.98719	2.6
69.03346	0.9
70.10919	2.1
71.04907	0.9
80.02567	1.1
81.03344	2.0
83.04917	8.7
83.39160	0.4
84.05252	0.5
85.06483	0.6
93.03355	0.6
95.01299	0.6
95.04935	4.2
96.95905	0.8
97.02838	0.5
97.06492	23.6
98.06824	0.8
98.20513	0.6
109.06506	2.1
109.88146	0.3
111.04483	0.4
111.08073	18.3
112.08417	0.8
113.02536	0.4
116.92769	1.4
121.02882	0.5
123.00807	2.9
123.08078	0.9
124.21652	0.4
126.90455	0.4
135.08148	0.5
137.02321	0.5
137.09647	1.0
138.03174	0.8
147.11732	2.9
149.09656	1.6
153.05545	0.9
153.09134	0.6
153.12807	2.6
160.84163	3.6
162.83870	9.2
163.11246	5.7
164.11601	0.7
165.12807	100.0
166.13142	7.5
166.99782	2.6
168.00069	0.4
171.13921	0.5
182.02168	5.4
197.04541	1.7
197.06165	0.9
197.08012	0.6
197.11806	3.3
197.15410	2.2
197.80797	6.4
197.90269	0.6
209.11855	5.7
210.12209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47276	0.4
58.02850	0.5
58.44148	0.4
59.01251	0.7
61.98738	0.6
62.30846	0.4
65.01337	0.7
68.99701	0.5
69.39315	4.4
69.45795	0.4
70.02869	44.6
71.01274	2.1
71.03189	1.1
83.04931	2.0
96.99216	32.3
97.99566	1.0
99.08068	1.7
100.07585	100.0
101.06003	3.2
101.07919	3.9
110.43600	0.4
112.03961	1.1
114.01887	2.6
115.00259	0.7
126.09176	6.6
140.53226	0.5
140.98230	0.4
148.66748	0.5
154.08684	25.2
155.09006	1.5
155.10764	0.4
157.05112	0.6
166.05144	0.5
171.06755	1.0
172.05052	0.5
198.04173	0.6
198.07764	2.4
199.06120	0.5
199.09726	0.7
199.13408	1.0
199.17004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0606
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
53.39143	1.1
59.01273	6.2
60.11327	1.3
60.99186	1.8
61.98714	14.5
70.84444	3.9
73.02824	1.4
85.02882	1.6
92.50896	1.1
93.03341	1.4
95.01300	5.3
96.95922	4.7
97.02841	2.7
97.06474	1.7
97.93940	1.2
98.60573	1.2
100.07613	1.1
103.85068	1.2
105.36581	1.1
109.02876	3.8
111.00816	2.0
112.03934	3.1
116.92798	11.4
121.02856	6.1
123.00802	17.6
123.04472	2.4
125.02332	3.1
126.90436	4.4
128.40074	1.1
137.02303	1.5
138.03156	6.4
139.00313	2.4
151.03929	2.0
153.01915	1.8
153.05511	5.7
153.09190	4.7
153.12807	13.5
154.91289	1.7
155.91960	1.3
160.84166	10.3
162.83879	30.6
166.99815	19.6
167.99344	1.3
169.06477	2.1
169.12318	2.5
170.02434	2.2
171.06665	1.4
171.13872	2.7
174.90215	1.2
182.02184	35.7
182.05756	1.7
183.02670	2.0
196.98320	1.3
197.04521	12.4
197.06096	100.0
197.08081	6.4
197.11806	25.0
197.15427	1.6
197.80780	17.7
197.90271	5.7
197.93007	1.6
198.04790	2.1
198.06367	10.2
198.07838	1.5
198.12114	1.7
215.91461	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	195.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03342	5.7
58.00471	1.5
59.01266	41.4
60.01596	1.8
61.01689	2.9
67.01774	1.1
69.03341	4.8
69.60146	5.5
71.01271	23.3
72.01597	2.2
72.99194	9.6
73.01698	3.2
73.02843	9.8
74.03197	0.8
75.00765	100.0
75.03255	3.5
76.01102	1.7
80.95967	1.5
80.96407	9.3
81.03333	1.8
83.01270	4.2
85.01718	1.6
85.02839	17.9
85.99986	0.9
86.03199	1.6
87.00772	21.2
87.03285	3.3
87.04406	1.0
88.00407	1.6
88.01096	1.5
89.01193	5.3
89.02345	9.0
95.01276	2.6
96.95911	8.7
97.02844	5.0
99.00779	11.5
99.03278	1.8
101.01255	4.7
101.02343	10.3
102.02695	1.9
103.02763	5.8
105.01842	10.0
105.03432	1.0
111.00770	6.1
113.02332	1.3
115.03882	1.3
117.01891	1.3
119.03322	0.8
123.00783	1.6
123.04402	0.9
125.02332	1.9
127.02847	2.8
129.01868	31.2
135.06560	2.4
137.02473	1.0
141.01894	4.6
142.01544	1.3
143.02309	3.0
147.02930	3.9
150.03200	5.9
151.03990	1.3
151.07527	1.1
157.03906	1.0
159.02922	13.9
160.82895	1.6
160.84157	21.3
161.04509	3.2
162.04814	1.3
163.04955	16.7
165.01904	2.6
165.05534	3.2
177.03983	7.3
177.06523	1.0
180.00623	0.9
180.04259	4.0
189.94559	0.9
193.06264	0.8
194.99576	1.7
195.05078	79.3
195.07758	13.0
195.81096	10.2
196.05571	2.8
196.07758	0.8
207.34270	0.9
210.00397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	9.0
57.03336	8.4
58.00483	5.1
59.01267	54.9
69.03339	24.7
70.97446	3.3
71.01273	69.9
72.99203	10.1
73.02840	77.9
73.03255	4.7
74.01910	1.9
75.00771	3.5
79.01788	4.5
81.03358	7.0
83.01284	31.5
85.02847	87.1
85.99992	8.3
86.03183	2.7
87.00777	68.8
89.01182	2.9
89.02348	6.3
95.01265	17.4
97.02856	39.1
99.00783	64.0
101.02345	100.0
107.01299	3.0
111.00797	14.5
112.01599	5.8
113.01192	3.7
113.02364	20.7
114.61010	2.1
115.03930	6.1
117.01835	4.2
123.00799	9.8
124.01588	4.9
125.02371	28.3
127.03941	3.8
131.03389	3.8
138.28667	1.9
140.01054	12.2
141.01877	26.5
142.02698	4.7
150.18205	2.0
155.03461	15.0
156.74185	2.3
159.02913	2.7
161.04509	89.0
162.04810	4.3
173.04530	3.4
175.06093	5.4
178.02760	2.7
179.03360	2.3
191.05605	3.2
193.07159	46.2
203.57249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	13.0
57.03327	32.4
57.77047	14.4
59.01256	61.4
62.12363	13.3
69.03329	17.8
71.01273	60.1
71.15289	32.3
73.02837	46.0
76.27404	13.1
80.96361	13.4
83.01273	40.6
85.02834	100.0
87.00745	62.1
89.01178	16.7
92.36835	13.6
97.02878	24.5
99.00776	49.7
101.02346	83.4
102.02670	11.7
111.00787	51.1
113.01244	31.1
113.02356	29.0
125.02374	19.7
131.03445	20.9
161.04512	59.9
175.06079	15.8
189.74098	13.0
193.07164	67.6
199.81155	12.0
207.94769	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	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	12.5
57.03345	11.2
57.91440	2.0
58.00475	7.4
59.00958	3.1
59.01265	62.0
67.01771	2.3
68.99714	2.8
69.03339	40.5
70.71130	4.6
70.71512	4.0
71.01271	85.6
72.63321	1.9
72.99200	8.6
73.02837	85.9
75.00768	5.9
79.01791	3.5
81.03358	7.8
83.01277	37.6
84.02077	3.8
85.02843	100.0
85.99986	17.3
86.03183	2.5
86.56296	1.9
87.00244	3.6
87.00776	69.2
89.02339	3.8
95.01285	20.0
96.98728	1.9
97.02851	40.6
99.00782	79.4
101.02351	92.0
102.02695	2.7
107.01305	2.4
111.00774	7.9
112.01591	8.8
113.02352	16.4
115.03919	4.3
117.01882	3.2
117.96266	1.7
123.00796	11.9
124.01608	4.8
125.02370	26.0
127.03903	2.7
134.03682	3.8
140.01111	10.9
141.01860	23.7
142.02638	5.3
143.03444	2.9
155.03432	16.2
159.02985	3.1
161.04512	66.6
162.04848	3.4
175.06129	2.9
178.02754	3.0
193.07158	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31475	1.0
55.01762	4.9
57.03346	5.4
58.00480	3.1
59.01261	27.2
66.16775	1.1
67.01751	1.6
68.99692	1.5
69.03346	12.4
71.01271	40.4
71.06615	2.6
71.06974	1.2
72.01586	1.2
72.99203	7.2
73.02835	43.0
74.03186	1.2
75.00767	2.4
79.01784	2.4
79.24393	1.0
81.03355	5.0
83.01276	17.5
85.02845	47.8
85.99998	5.8
86.03167	1.4
87.00773	35.3
89.02333	3.8
95.01289	9.0
97.02857	21.6
98.03205	1.3
99.00780	41.3
100.01057	1.1
101.02349	60.9
102.02692	2.5
111.00791	4.6
112.01564	2.3
113.02356	10.7
117.01839	2.1
119.35136	1.0
123.00784	4.9
124.01566	1.4
125.02370	20.6
126.02647	1.3
127.03899	1.6
134.03687	2.7
140.01132	5.4
141.01868	18.9
142.02560	2.2
143.03462	1.4
155.03455	10.2
157.04988	1.1
157.79144	1.0
159.02937	3.7
161.04507	100.0
162.04863	4.0
173.04643	1.3
175.06056	4.2
178.02704	2.7
191.05605	4.4
193.07153	76.7
194.07448	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	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87406	0.6
56.91990	0.6
57.03339	9.2
59.01250	1.5
67.01783	4.0
69.47723	1.6
69.48141	3.4
73.02809	0.8
85.02844	35.5
85.54468	0.6
86.03178	1.9
87.00773	53.8
88.01118	1.4
99.00745	0.6
108.48994	0.5
111.00792	100.0
112.01122	3.6
129.01866	4.4
130.99808	0.9
131.03459	0.5
154.99847	0.8
173.00841	2.1
191.01955	11.3
191.05550	1.1
206.19678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.13405	0.3
56.55320	0.3
57.03342	0.6
59.01267	9.0
67.01769	0.3
69.52560	2.6
71.01269	1.0
73.02835	1.3
84.02068	2.4
85.02843	5.7
87.00774	3.9
89.68781	0.4
93.03355	1.3
98.19966	0.9
98.20563	0.4
99.04442	0.7
111.00790	7.4
113.02346	0.5
119.04930	2.0
121.02872	100.0
122.03214	5.5
127.03925	0.5
129.01862	0.4
131.03421	1.1
147.00822	0.4
147.04456	5.9
148.04916	0.3
149.83498	0.3
163.03894	0.3
173.00829	0.3
176.01120	0.9
191.01903	1.2
191.03502	8.9
191.05595	13.9
192.03853	0.7
192.05956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98848	0.7
55.01759	3.7
56.57033	0.7
57.03328	2.6
58.00477	1.7
59.01263	14.3
65.99702	0.9
68.99704	0.9
69.03338	8.9
69.27856	8.1
71.01270	26.4
71.05960	0.6
71.17432	0.6
72.99197	2.7
73.02834	26.7
74.03193	1.1
74.03600	0.7
74.08750	0.6
75.00773	1.4
78.41211	0.6
79.01801	1.6
79.22587	0.6
81.03343	2.8
82.03987	0.8
82.51678	0.6
83.01279	12.3
84.02067	0.7
85.02840	29.7
85.99993	3.2
86.03191	1.2
87.00230	1.2
87.00770	24.0
89.02349	2.1
91.51965	0.6
93.03371	1.3
95.01283	6.4
97.02841	12.8
99.00777	24.5
101.02345	41.0
102.02658	0.9
106.04159	1.5
107.01293	1.0
108.02012	0.8
109.02864	0.8
109.03995	0.8
111.00800	3.4
112.01582	1.9
113.02363	7.9
115.03931	1.3
117.01839	1.8
117.03378	1.0
121.02865	3.7
123.00800	3.2
124.01591	0.8
125.02357	12.3
127.03901	1.3
131.03476	0.8
133.02884	5.4
133.05072	0.8
134.03664	100.0
135.03993	6.1
137.02377	17.6
138.02664	0.8
139.03964	6.5
140.01089	2.8
141.01857	11.9
142.02632	2.4
143.03333	0.7
148.05118	0.7
149.06021	26.5
150.03160	3.0
150.06378	1.9
155.03433	9.3
159.02899	2.4
161.04497	63.2
162.04834	2.6
165.01921	0.9
173.04483	1.3
175.06119	2.3
178.02672	73.5
179.02988	5.0
191.05573	1.9
192.90834	0.7
193.01326	1.2
193.05054	39.5
193.07155	44.5
194.05380	3.4
194.07578	1.9
212.73607	0.6
213.38480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0872
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
57.03344	2.6
59.01266	26.5
60.69903	0.7
61.28457	0.6
61.98735	0.6
65.99728	0.6
66.03374	15.6
67.01783	1.4
71.01265	3.4
71.11228	0.7
71.42633	1.2
72.99194	1.8
73.02831	4.9
75.00771	1.9
81.03345	1.2
82.02869	0.7
83.01286	0.6
83.04888	0.8
84.00812	1.2
84.02058	25.3
85.02843	19.8
87.00768	15.2
93.03361	23.2
94.03692	1.4
95.01337	0.7
95.04922	1.3
99.00775	0.8
99.04415	8.6
101.02331	1.8
103.03912	1.3
105.07017	1.0
106.04146	4.8
107.04945	7.4
108.02081	30.9
108.02824	1.5
109.02274	0.8
109.02922	1.5
111.00800	24.2
111.04424	0.9
113.02358	1.0
119.01298	1.2
119.04948	7.6
120.04474	6.3
120.05300	0.9
121.02861	2.6
121.06509	1.1
123.04436	8.2
127.03924	1.6
127.80957	0.6
129.01852	2.2
130.04106	0.7
131.03455	3.5
132.05803	0.6
133.06500	1.9
134.02458	1.0
134.03632	1.3
135.04468	1.7
143.86438	2.0
146.06044	3.7
147.00864	0.8
147.04477	4.4
147.06866	1.8
147.08099	3.8
148.01656	0.9
148.05130	2.0
148.07623	100.0
149.04774	2.4
149.06013	12.4
149.07932	7.2
150.06361	1.2
160.03990	1.0
161.04582	0.7
162.05542	1.8
163.00356	1.0
164.03506	1.4
171.02925	1.0
172.07675	1.7
173.00865	0.8
173.04536	0.7
176.01131	4.4
184.61647	0.7
189.04265	1.0
190.01418	2.1
190.05061	18.4
190.08710	64.1
190.99828	1.5
191.01901	3.8
191.03604	3.5
191.05588	53.2
191.09081	5.6
191.10706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
50.09514	0.7
57.03334	8.6
59.01266	5.2
62.21977	0.8
67.01773	4.7
67.70137	0.6
70.02832	1.4
70.03246	2.5
71.01266	1.2
72.91454	0.9
73.02797	0.9
83.01312	0.8
85.02839	30.3
86.03168	1.1
87.00770	57.3
111.00787	100.0
112.01151	5.3
129.01886	5.2
130.99809	0.9
138.41747	0.7
173.00845	2.0
191.01949	10.8
191.05626	2.3
209.31339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0766
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
50.36417	0.4
53.76570	0.5
57.03343	2.4
59.01266	3.6
62.68130	0.5
62.99987	0.5
65.01337	1.1
65.84252	0.4
65.99731	1.4
67.02882	0.5
68.01289	0.4
69.20557	4.3
71.01276	0.8
71.04879	0.5
72.99207	1.1
75.00768	0.6
79.78074	0.4
83.04946	0.9
85.02827	1.0
85.06494	0.6
87.00768	0.5
91.02901	0.7
94.02907	0.8
99.00806	0.6
99.08057	28.6
100.08395	1.2
101.05992	0.9
106.04006	0.9
107.02432	0.5
111.00804	0.5
117.03434	0.5
119.02393	0.8
120.01938	0.6
120.04466	1.8
120.05589	0.8
121.03987	1.0
127.07572	30.1
128.07930	1.8
129.05498	100.0
130.05830	4.5
132.05594	0.6
133.04007	0.5
135.01985	0.8
136.05020	0.5
145.02916	0.7
145.08630	4.8
147.04272	0.6
147.06706	0.7
148.05055	1.7
148.06108	0.5
161.02458	0.8
162.03072	0.5
162.06693	1.4
163.05049	0.8
164.03416	0.5
171.06578	7.1
172.06885	0.7
174.03188	0.6
189.01888	1.3
189.04054	1.4
189.07660	56.2
190.07918	3.5
196.58345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0563
Annotation	L-2-Amino-6-oxoheptanedioate
Peak:m/z	Relative Intensity
55.01777	2.1
57.03342	1.3
58.40338	0.4
59.01264	5.3
59.51860	0.4
65.00211	0.7
65.99728	0.4
66.03391	0.6
66.97642	0.5
67.01778	1.2
68.01307	12.7
68.99706	1.6
71.01272	15.2
71.61810	0.6
72.99202	7.3
73.02842	21.6
75.00758	1.0
75.76044	0.5
80.01323	1.6
81.03362	0.4
82.02877	2.5
83.01276	4.5
83.04931	0.5
85.02847	66.8
86.03183	1.9
87.00775	100.0
88.01101	2.8
89.02341	44.9
90.02680	1.1
94.02853	0.6
95.01294	1.3
96.00828	0.8
98.02382	43.9
98.83179	0.4
99.00784	14.6
99.02722	1.3
101.02354	10.0
103.00262	1.6
103.03925	4.4
104.04155	0.4
105.80706	0.4
108.04462	6.5
109.02867	1.2
110.02400	0.8
111.00793	16.9
112.00320	1.2
112.03959	1.7
113.02365	0.9
113.33765	0.4
114.01924	0.6
115.00273	3.0
117.01851	2.0
117.03388	0.4
121.75635	0.4
124.03991	1.1
124.98701	0.9
125.02361	0.8
126.01896	3.1
126.05525	0.9
126.43806	0.4
127.00308	4.2
127.03938	1.9
128.03464	10.6
129.01872	9.9
131.62494	0.5
132.98164	0.5
136.98738	0.9
139.00327	3.3
141.01831	0.5
142.38799	0.5
142.99815	1.2
143.03476	0.6
145.01392	0.8
146.03761	0.5
147.02911	3.1
152.03427	2.3
152.98236	1.4
161.02332	0.5
170.04552	22.2
170.99335	1.2
171.02957	5.2
171.04814	1.2
188.02022	4.4
188.05620	83.8
189.00446	2.4
189.02046	0.7
189.04012	3.9
189.05930	4.7
209.36099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99067	11.0
52.50558	8.8
52.98844	9.7
59.01276	18.4
61.20994	9.7
69.51214	64.1
69.51623	22.9
91.02850	10.0
95.11869	10.1
98.20508	18.3
113.34944	10.1
115.03937	15.4
115.45868	11.5
116.02463	11.9
121.05156	12.2
130.06529	41.0
138.23558	10.3
141.09128	25.4
144.05566	10.7
146.03664	11.7
149.06023	100.0
158.03539	14.3
158.06052	46.5
159.04463	38.3
159.06714	14.6
185.11804	49.2
186.01933	11.7
186.05582	82.7
186.07851	16.9
192.57565	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	185.118
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01265	38.3
60.01590	0.7
65.01314	1.0
65.99727	0.4
69.03362	0.5
71.01276	4.8
71.02528	1.1
71.04908	6.8
75.01212	0.5
78.78278	0.4
87.04390	0.9
91.02898	0.7
97.06474	1.1
111.08063	1.6
115.03925	100.0
116.02498	0.5
116.04263	3.9
121.05125	1.3
122.79752	0.4
123.08073	0.6
130.04123	0.5
132.05551	0.7
132.36377	0.4
139.11237	1.4
141.09143	1.9
141.12814	0.7
144.05563	1.0
157.05096	0.4
158.03569	1.1
159.03105	0.6
159.05576	0.5
159.06757	0.9
167.10730	17.8
168.11063	1.3
183.10248	3.2
185.11797	91.5
186.07904	0.9
186.12167	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	187.0246
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
59.01250	1.8
67.01778	1.2
70.09254	5.1
71.01267	2.4
71.04894	1.8
72.99178	1.3
76.36383	1.0
81.03343	3.4
85.02850	0.9
85.09283	0.8
89.30942	0.9
91.28783	0.9
92.39180	0.9
98.02383	3.2
98.19880	1.3
98.83717	1.0
99.00788	2.1
99.04418	46.3
100.03971	1.4
100.04768	1.2
113.02340	1.2
114.05495	1.6
115.03940	10.9
116.03493	2.7
118.07435	0.9
118.38461	0.9
125.02366	100.0
126.02744	4.9
128.03481	1.1
142.05009	2.3
143.03444	12.6
144.02885	2.4
144.06572	1.4
180.72224	1.0
185.36629	1.0
187.02443	20.7
188.02719	1.4
188.05594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.076
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
54.60843	0.2
55.01765	0.2
57.03321	0.4
59.01258	1.8
65.01343	0.3
65.03845	1.1
68.99679	0.2
70.27271	0.9
71.01286	0.5
73.30867	0.2
77.88430	0.2
90.97040	0.7
97.06487	0.9
99.00771	0.3
108.02079	0.5
108.08152	0.2
109.02854	0.6
112.71179	0.2
115.05387	0.3
117.03382	0.4
120.02059	0.2
121.02860	0.2
123.08104	0.3
124.98726	0.3
125.06001	0.2
125.09636	6.2
126.09943	0.3
130.04161	0.6
131.04939	1.4
132.98128	0.6
133.02885	0.5
133.03961	0.3
135.04465	0.3
141.07039	0.6
143.04933	0.6
144.04471	0.5
144.05705	0.5
145.02846	0.6
145.05043	0.4
145.06500	0.5
146.03653	2.9
147.04440	0.6
154.04234	0.4
157.06519	0.6
158.03665	1.0
159.04451	11.7
159.08092	1.9
160.04996	1.2
167.05013	0.6
169.06526	1.8
169.08716	0.2
170.07188	0.5
172.05243	15.8
173.06012	3.8
178.36145	0.2
183.41283	0.2
185.06047	10.3
186.03162	0.3
186.06644	1.9
186.95554	0.5
187.04045	11.5
187.07607	100.0
187.09515	3.4
188.03278	0.4
188.04568	1.0
188.07962	8.6
199.80678	0.2
201.05550	0.3
204.04262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1386
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.56649	0.2
59.01258	0.7
65.01330	0.2
69.81611	0.4
69.82029	0.6
73.14296	0.1
115.02897	0.2
123.10148	0.1
124.04013	0.2
126.86125	0.1
130.04002	0.2
142.04019	0.2
143.04791	0.2
156.05647	0.3
157.05183	0.4
165.12816	0.2
168.00562	0.4
183.00378	0.2
183.13869	100.0
184.03935	0.3
184.06195	0.2
184.14200	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	183.1385
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.12289	0.1
57.03334	0.2
58.02861	0.2
59.01264	0.9
63.59969	0.2
65.01333	0.4
66.53706	0.2
69.03336	0.2
69.34461	0.1
69.34781	1.7
71.04887	0.2
83.44307	0.1
94.66570	0.1
95.04894	0.2
97.02868	0.2
98.02398	0.2
98.20607	0.3
111.00781	0.4
112.03913	0.3
112.98476	0.3
115.02931	0.3
116.02435	0.2
123.04454	0.2
124.01551	0.3
124.03938	0.3
130.03978	0.3
132.57887	0.1
137.02365	0.2
139.07607	0.2
139.11235	0.3
140.07079	0.2
142.04062	0.2
143.04822	0.3
144.04314	0.2
151.00304	0.2
152.98232	0.4
156.04509	0.2
156.05562	0.7
157.03992	0.2
157.05132	1.0
165.01935	0.2
168.00595	0.6
174.54738	0.2
178.47173	0.2
183.00433	0.6
183.03018	0.7
183.13870	100.0
184.04007	1.3
184.06128	0.4
184.14206	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
60.47972	0.2
63.86254	0.2
71.40269	0.3
100.43717	0.2
135.52794	0.2
164.27155	0.2
183.13881	100.0
184.14223	9.8
184.15895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0501
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.19699	2.0
57.03336	2.0
59.01266	23.1
71.01263	8.1
71.07071	3.3
81.03360	4.3
82.03990	2.0
84.02107	2.7
85.02824	2.7
89.02338	3.5
91.05434	3.4
93.03357	10.5
95.01287	2.9
97.02843	3.0
99.68095	2.4
101.02337	3.7
105.03343	2.4
107.04951	5.8
108.02013	2.1
109.02869	32.0
109.06509	8.4
113.02407	5.4
117.03363	3.5
119.04963	3.6
121.02869	23.0
122.03636	7.7
123.00806	7.4
123.04446	96.9
124.01597	6.1
124.04784	3.8
125.02377	10.8
125.06010	2.9
127.16659	2.0
133.02872	3.4
135.04445	24.4
137.02386	26.5
139.00310	5.1
139.03889	2.3
140.01094	63.0
141.01469	3.3
145.02879	10.0
151.00314	28.6
151.03955	35.5
152.00986	2.1
153.05588	12.2
163.03995	25.2
166.02655	45.7
181.01558	4.0
181.05035	100.0
181.08594	4.3
182.05342	8.4
185.62289	2.4
188.65877	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	183.1386
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.07468	0.4
54.97512	0.5
57.03342	0.8
58.02862	0.5
59.01265	3.2
64.90722	0.4
65.01326	1.4
66.77581	0.4
69.03345	0.6
69.52564	3.1
83.04920	0.6
89.01334	0.5
95.01292	0.8
95.04939	0.6
97.03967	0.4
98.02390	0.8
98.19821	0.9
111.00818	0.7
112.03969	1.3
112.98470	0.7
115.02945	1.1
123.00837	0.9
124.01540	1.0
124.03960	0.8
124.98743	0.8
129.76547	0.5
130.04008	1.0
139.03891	0.4
139.07625	0.8
139.11154	0.7
142.04041	0.6
143.04834	0.9
152.98245	1.0
153.00626	0.7
156.05646	2.7
157.05098	3.7
168.00613	1.8
169.01326	0.5
183.00511	4.1
183.02995	1.6
183.06711	2.5
183.10512	3.1
183.13873	100.0
184.06236	1.9
184.14203	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	177.019
Annotation	Esculetin
Peak:m/z	Relative Intensity
57.03320	0.6
58.06874	0.2
59.01265	10.8
65.01321	0.7
65.99729	0.7
67.02915	0.4
68.01286	0.2
68.32269	0.2
68.99696	0.5
69.71416	1.2
71.01264	2.2
72.99186	0.3
73.02838	0.4
75.00763	1.1
77.03861	0.4
81.03354	1.3
81.04459	0.2
82.04001	0.3
83.01283	0.5
85.02845	0.5
87.00774	0.8
89.02351	0.5
89.03863	5.3
90.01598	0.2
90.04203	0.3
91.02931	0.6
93.03371	1.5
95.04919	1.0
99.00775	1.2
102.64016	0.2
105.01848	0.4
105.03368	10.2
105.04456	0.4
106.03760	0.4
107.02434	0.5
107.16089	0.2
108.01967	0.3
108.04484	0.3
109.03989	0.5
115.00304	0.5
117.01856	0.3
119.02458	0.3
120.05547	0.2
121.02866	0.9
122.03508	0.2
123.04421	0.3
129.01892	1.3
133.02884	20.6
133.06490	1.2
134.03586	1.1
135.00827	0.4
135.01990	0.3
135.03030	0.3
135.80916	0.3
139.03929	0.4
149.02368	3.0
149.05992	0.3
150.02991	0.6
150.06677	0.3
151.05103	0.4
161.02290	0.3
162.03175	11.0
163.03546	0.8
177.01891	100.0
177.96066	0.3
178.02260	6.8
178.04724	0.4
178.06216	0.5
179.04286	0.2
189.64957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40812	0.1
59.01274	1.4
59.20372	0.2
68.88669	0.2
69.64877	1.0
71.01263	0.9
73.02844	0.3
73.82607	0.1
77.04871	0.2
79.95658	0.2
80.55503	0.1
85.02850	0.5
87.00777	1.6
89.02341	0.5
96.95951	0.2
97.26422	0.2
98.19937	0.3
99.00793	0.5
101.02341	0.2
108.02096	0.2
113.02390	0.3
117.01812	0.2
119.93636	0.4
125.02402	0.2
134.96016	10.1
135.04433	0.2
135.96104	1.0
136.93944	100.0
137.94017	9.7
138.94353	0.2
141.01881	0.2
151.92662	14.3
152.92738	1.4
154.94998	0.6
161.04503	0.7
164.01108	0.3
178.95029	33.8
179.03401	0.2
179.05579	1.0
179.06973	0.4
179.95125	4.5
196.96062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0711
Annotation	1,3R,8R-Trihydroxydec-9-en-4,6-yne
Peak:m/z	Relative Intensity
59.01264	1.7
59.89889	0.2
65.03826	0.2
67.31410	0.2
69.03359	0.3
70.51593	0.9
71.01266	1.6
73.02853	0.2
85.02860	0.6
87.00777	2.5
89.02345	0.6
91.05433	1.4
95.04924	0.3
97.02831	0.3
97.22689	0.3
99.00773	0.6
101.02338	0.4
101.03875	1.9
103.05445	0.4
105.03361	0.5
109.02854	0.3
109.04002	0.4
113.00198	0.3
117.01821	0.4
119.04949	9.9
120.05286	0.6
121.02879	0.8
125.02390	0.3
129.03391	6.0
130.04190	3.2
141.01831	0.3
145.02898	1.1
146.03680	5.6
147.04454	100.0
148.04782	7.5
149.02412	0.7
149.06018	12.2
150.06348	0.8
151.00319	0.2
161.04517	1.7
164.01100	0.6
164.04761	0.8
165.05519	0.5
178.99831	0.4
179.03520	0.6
179.05574	2.6
179.07103	3.0
180.07397	0.4
190.79156	0.2
190.81027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08248	0.6
57.03337	1.3
59.01262	9.4
65.01337	1.4
65.66406	0.6
65.99731	0.8
68.99721	0.8
69.03354	0.9
71.01276	7.7
71.31551	1.2
71.31883	0.9
72.99197	2.0
75.00754	1.5
83.01282	1.7
85.02844	4.7
85.06480	43.6
85.68771	0.7
86.06815	1.4
87.00764	7.0
87.04411	1.6
93.03342	0.9
95.01293	0.9
97.02865	0.8
99.00764	1.8
100.17120	0.7
113.02380	0.9
113.05992	41.0
114.06327	1.7
115.00292	4.0
115.03923	100.0
116.04253	4.3
124.98710	1.1
127.00238	0.9
129.05492	1.7
131.03436	1.5
131.07063	9.2
133.04019	0.8
133.05103	0.8
134.03508	1.0
147.04411	0.9
157.05019	11.3
157.06221	1.2
158.05298	1.1
160.03601	0.8
174.88911	0.7
175.02538	2.0
175.03941	2.8
175.06078	63.0
176.03474	1.9
176.06418	2.8
187.36287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	2-Isopropylmalic acid 
Peak:m/z	Relative Intensity
52.84453	0.4
55.82187	0.4
57.03337	1.2
59.01266	5.7
62.05399	0.4
63.34122	0.4
65.01324	0.8
65.99760	0.5
68.99665	0.4
70.20024	1.9
71.01276	2.6
72.99205	1.0
73.02819	0.5
75.00791	0.8
83.01260	0.6
85.02837	1.2
85.06482	41.9
86.06836	1.6
87.00772	3.6
87.04430	1.5
92.20664	0.4
93.03394	0.5
99.00774	0.6
113.05997	37.2
114.06351	1.7
115.00294	1.8
115.03925	100.0
116.04259	4.4
129.05498	1.2
130.96732	0.4
131.03474	0.6
131.04977	0.6
131.07072	8.5
134.03520	0.5
136.84314	0.4
147.04482	0.7
148.05032	0.5
157.05008	8.4
158.05325	0.7
175.06084	52.9
176.03365	0.9
176.04904	0.7
176.06319	2.8
178.16687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0714
Annotation	Streptazone A
Peak:m/z	Relative Intensity
57.03333	3.8
59.01266	88.3
60.01606	1.7
65.01323	2.7
65.99737	2.5
68.99700	3.1
69.03354	1.7
70.02866	2.3
71.01276	20.0
71.04906	1.7
71.60389	1.1
71.60809	1.7
72.99181	2.4
73.02874	1.1
74.60968	1.0
75.00771	6.0
81.04471	1.2
83.01266	3.5
85.02858	7.3
87.00758	7.3
89.02345	7.2
89.03861	2.3
91.05420	1.5
93.03346	8.2
95.01297	1.6
95.04958	1.6
99.00774	8.4
104.02563	1.5
105.03376	6.3
105.04571	1.3
106.04095	3.8
107.02427	1.2
107.03666	2.3
107.04935	2.4
108.02062	2.7
108.55111	1.1
111.00770	1.9
115.00282	4.4
117.01844	2.4
119.04976	1.6
121.02886	9.3
123.04453	4.0
129.01852	13.4
131.04947	2.7
132.04546	1.4
132.05708	8.2
133.01796	1.7
133.02898	18.3
133.05054	2.1
133.05406	1.7
133.06525	33.2
134.03638	11.1
134.06975	2.2
135.03052	1.4
135.04509	6.6
136.01611	2.7
145.02786	1.2
147.02986	1.6
148.01537	2.0
148.03969	3.1
148.05141	1.8
148.06459	2.4
148.07603	30.4
149.02382	9.3
149.04707	1.2
149.06102	6.1
149.07986	2.8
149.09695	1.4
150.79813	1.1
156.04500	12.3
157.05212	3.5
158.06065	31.9
159.06422	1.9
160.04004	1.4
161.01163	1.6
161.02414	3.4
161.05995	1.9
162.03174	100.0
172.03944	2.1
176.01196	1.7
176.03421	11.3
176.07123	94.7
177.01891	54.2
177.04083	4.6
177.05533	28.5
177.07458	7.9
177.09145	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	173.0603
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
51.73981	0.2
57.03332	0.8
57.39615	0.2
59.01269	1.3
60.99195	1.4
61.98706	0.3
65.01328	0.3
65.51346	0.2
67.01781	9.6
68.02129	0.2
68.99718	0.3
69.03349	2.0
71.01270	2.9
71.62412	0.3
72.99194	0.5
73.02833	1.3
75.00748	0.2
79.61168	0.2
81.03366	0.5
83.01286	0.4
83.04937	1.2
85.02853	0.7
93.03362	31.0
94.03698	1.8
95.01359	0.3
99.00783	1.3
100.60388	0.2
101.02343	0.3
109.02833	0.4
111.00811	0.4
111.04440	4.1
111.08083	1.3
115.00270	0.3
115.03954	0.3
115.05487	0.3
117.03402	0.3
117.07045	0.6
119.04916	0.4
127.05450	2.1
129.01880	0.3
129.07021	0.9
129.09158	0.4
130.04190	3.6
131.03648	0.6
131.04567	0.3
137.02347	0.4
143.03835	0.4
143.04951	5.0
144.05801	1.3
145.02884	2.9
145.06531	17.8
146.02469	0.2
146.03659	1.4
146.06886	1.4
154.04218	0.8
155.03661	0.5
155.04970	12.2
156.05751	3.3
157.06058	0.3
158.03694	3.9
159.02010	0.2
159.03192	1.2
159.04376	0.7
171.04463	0.6
172.05246	5.9
173.06032	100.0
174.03214	3.3
174.06406	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	173.0815
Annotation	Suberic acid
Peak:m/z	Relative Intensity
54.27815	0.2
54.87801	0.2
55.01755	0.2
57.03337	5.8
59.01260	1.9
60.99197	1.3
61.98717	0.6
65.01328	2.5
65.99741	1.1
66.00847	0.3
67.01778	9.0
67.05406	0.3
68.99724	0.3
69.03339	2.4
69.41586	1.7
70.85490	0.2
71.01266	3.9
71.04881	0.3
72.01573	0.2
72.99208	1.0
73.02845	1.1
75.00774	0.4
76.55136	0.2
81.03359	1.4
81.04451	0.3
82.04041	0.2
83.01265	0.3
83.04916	13.9
84.05250	0.6
85.02836	0.9
85.06434	0.2
87.00758	0.3
89.01356	0.4
90.00850	0.3
91.02917	0.8
92.02399	0.4
93.03359	33.3
94.03680	1.6
95.01283	0.6
95.04926	0.6
96.00802	0.2
97.02888	0.4
97.06451	0.4
99.00784	1.3
99.04454	0.3
101.02341	0.3
103.01694	0.2
105.04476	0.5
106.04031	0.8
108.01968	0.4
109.02867	0.4
109.06504	3.4
111.00783	0.9
111.04457	4.0
111.08070	100.0
112.04745	0.2
112.07658	0.4
112.08398	5.5
112.70115	0.2
113.02375	0.6
114.01865	0.2
115.00270	0.4
115.03940	0.2
116.02432	0.4
118.04071	0.4
119.02448	2.9
120.01936	0.3
123.00791	0.3
127.24284	0.2
129.01828	0.3
129.09132	6.1
130.01489	0.2
130.04045	1.0
130.09525	0.3
131.02682	0.3
131.03618	2.1
131.07057	0.3
132.01949	0.2
132.05612	0.7
137.02325	0.4
140.01131	0.4
141.01921	0.3
143.03557	0.5
144.04347	0.3
145.02821	0.7
145.05089	0.5
146.02417	0.4
146.03523	3.2
146.07219	0.6
147.01930	0.5
147.04056	0.2
147.05605	0.5
147.06657	0.2
155.03459	0.6
155.07100	2.2
157.05119	0.3
159.03210	2.4
173.00943	0.4
173.04628	7.4
173.08153	45.0
173.11736	0.8
174.01807	0.4
174.05415	0.6
174.06747	0.4
174.08536	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	173.0087
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
52.73577	0.7
53.00201	2.3
55.01771	7.9
57.03332	5.0
59.01270	6.7
63.60882	0.8
67.01779	8.9
68.99702	2.3
70.91096	2.3
71.01271	100.0
72.01596	2.5
72.99197	7.4
73.02834	7.8
75.00763	1.4
83.01271	11.0
83.04917	1.5
85.02845	6.9
85.06500	4.0
87.00774	6.0
93.03355	18.8
96.99229	4.1
99.00784	36.5
101.02341	1.6
111.00787	14.8
111.04436	6.9
112.01106	0.9
112.98716	17.1
115.00272	4.1
124.98725	21.5
125.99545	1.2
129.01884	2.3
129.05507	1.5
142.99797	46.6
144.00174	1.8
154.99840	1.2
155.03395	2.3
173.00894	13.8
173.04527	4.9
174.01627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0087
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00202	0.5
55.01763	1.8
57.03342	2.1
58.02858	0.8
59.01261	2.8
67.01775	3.7
68.99704	2.2
69.03279	0.4
69.90997	1.7
69.91409	1.0
71.01269	23.6
72.99187	1.7
73.02837	3.0
83.01283	4.5
83.04929	0.7
85.02842	100.0
86.03178	3.4
87.00770	1.7
88.03948	0.9
93.03359	4.1
96.99203	0.9
99.00787	8.5
99.04418	0.7
101.02333	0.9
111.00790	44.4
111.04441	2.9
112.01134	2.0
112.98718	10.1
115.00278	1.3
124.98717	4.9
128.07158	0.5
129.01868	17.2
129.05481	1.4
130.02156	1.0
138.56978	0.5
142.99800	16.4
144.00177	0.6
148.38290	0.4
154.99808	1.1
155.03409	0.6
173.00867	6.2
173.04509	2.1
174.07655	0.8
177.36014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31739	0.9
52.53205	1.0
53.00208	2.0
53.15556	0.9
55.01772	6.7
57.03334	6.2
58.00469	1.0
59.01263	7.8
60.99194	3.4
67.01776	22.0
68.02108	1.0
68.99698	4.2
69.03344	5.1
69.83306	4.7
71.01270	100.0
72.01604	1.7
72.99198	10.9
73.02836	12.6
73.77630	0.8
75.00759	1.6
80.99683	1.1
81.03352	1.6
83.01281	10.5
83.04922	3.2
85.02843	13.1
85.99986	2.4
87.00775	6.9
93.03361	73.2
94.03699	3.3
95.01308	1.7
96.99228	2.4
97.02857	1.3
99.00780	35.0
99.04453	1.1
99.86098	0.8
100.07619	0.9
100.98665	1.5
101.02351	3.0
102.34628	1.0
109.02866	1.4
111.00784	10.0
111.04422	11.1
111.08093	4.3
112.98725	19.9
113.02364	4.9
115.00288	6.9
115.03918	1.1
117.01750	0.9
123.00829	1.7
124.98736	18.8
129.01833	2.5
131.03644	1.8
136.54068	0.9
140.01175	1.5
140.98260	1.3
141.01878	1.0
142.99803	47.6
144.00139	1.3
145.01343	1.7
154.99780	1.8
155.03500	2.5
159.03185	3.4
171.09206	0.9
173.00934	10.8
173.02344	1.8
173.04527	17.1
173.08127	3.2
173.11797	1.6
174.01596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.123
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
51.35054	8.4
52.92117	8.1
57.03329	13.3
59.01263	46.5
65.00174	11.3
68.99701	15.0
69.03360	15.2
69.90563	28.4
69.90968	17.2
73.02834	9.1
81.03353	10.4
95.01270	9.8
95.04954	9.3
97.02842	22.5
97.06476	10.2
98.02424	13.7
99.00762	9.2
105.97157	7.6
109.02803	9.3
110.02389	16.9
125.02354	85.3
125.06019	11.1
125.09669	38.5
125.99478	22.0
127.05025	12.4
128.07056	10.7
142.04045	13.6
143.03551	10.5
143.04895	13.9
151.00339	15.5
153.99005	26.9
168.04456	8.9
169.01393	50.7
169.03830	11.7
169.05075	34.9
169.08665	17.0
169.12303	100.0
170.02284	9.0
170.04639	20.2
170.06061	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0659
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
53.03160	0.4
58.02880	0.4
59.01269	6.5
65.01331	3.3
65.99734	0.8
66.00844	0.6
68.99720	0.5
70.89613	1.1
71.01269	1.6
72.99215	0.7
73.02835	0.5
80.64573	0.4
81.04472	0.7
83.01310	0.8
85.02853	0.7
89.01360	1.1
91.02917	0.4
95.01365	0.5
98.02357	0.8
99.00787	0.6
103.30561	0.4
105.04504	1.0
106.04008	1.2
107.04968	0.6
109.02899	1.0
109.06500	9.3
110.06805	0.4
111.00811	0.8
113.02324	0.7
116.02444	0.4
118.04004	0.8
120.05643	0.5
127.07575	100.0
127.11198	1.1
128.07913	6.1
130.04042	1.2
130.08673	9.2
131.03613	0.4
139.03918	0.4
144.01982	1.9
144.04420	1.6
144.05609	3.1
145.04062	0.8
145.05153	1.3
150.49992	0.4
171.01831	2.9
171.02827	0.7
171.03156	1.0
171.04387	0.6
171.06685	8.8
171.10219	13.4
171.13766	2.2
172.03874	1.0
172.05037	0.7
172.06259	1.6
172.09587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0137
Annotation	Gallate
Peak:m/z	Relative Intensity
53.00197	1.6
55.01772	11.2
57.03335	28.1
59.01259	4.5
59.15425	1.3
64.60807	1.2
65.00185	4.2
65.57982	1.2
67.01755	2.9
68.99703	27.0
69.03339	6.4
70.89207	3.8
71.01271	38.2
80.96400	7.4
81.03338	3.5
83.01279	10.2
85.02841	34.9
95.01268	2.4
97.02859	5.6
97.06506	2.6
98.00023	2.6
98.02373	4.6
98.06044	1.4
99.00782	38.3
107.04916	1.6
110.00010	14.5
111.00804	10.4
112.50966	1.4
113.02351	58.4
113.99098	1.2
114.02676	3.0
125.02364	13.6
125.05993	5.2
125.09615	2.4
125.99507	18.2
126.05546	4.0
132.40512	1.2
137.99498	8.6
139.00310	8.3
140.03427	2.1
141.01894	4.8
150.97002	14.7
151.00310	2.7
151.03955	2.0
153.98997	9.0
154.02589	2.4
157.98582	2.9
168.98112	21.5
169.01378	100.0
169.05048	3.9
169.08533	2.4
170.01692	4.6
170.04558	4.2
170.08195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.123
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
51.76952	1.1
54.75034	1.0
57.03328	2.5
59.01271	7.2
61.98717	2.3
65.00198	3.6
68.99701	4.7
69.03349	3.4
71.01254	1.6
71.04881	2.1
71.60723	1.8
72.93134	1.4
81.03355	2.0
83.01247	1.5
83.04909	1.6
84.95021	1.4
85.02849	2.8
87.00783	7.8
88.00285	1.9
95.01324	1.2
95.04907	1.2
96.99218	1.3
97.02836	7.8
97.06506	4.3
98.02383	2.7
99.04437	1.5
106.06378	1.1
107.04950	2.6
109.02826	1.8
110.02390	2.0
111.36192	1.3
114.06348	1.4
122.89384	1.3
123.08094	1.4
124.33988	1.1
124.98657	1.0
125.02362	27.3
125.05975	6.1
125.09619	9.6
125.99513	3.5
126.02728	1.9
126.05489	2.2
126.90263	8.2
128.07085	2.9
134.86479	3.5
140.03471	2.1
141.01828	2.1
146.89445	1.2
151.00307	2.8
151.03940	1.7
151.11235	2.3
153.99011	8.4
154.02722	1.4
168.91328	3.1
169.01375	18.9
169.03804	1.7
169.05125	7.6
169.06308	2.5
169.08650	5.3
169.12296	100.0
170.04584	3.8
170.12636	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	167.0345
Annotation	Orsellinate
Peak:m/z	Relative Intensity
57.03337	1.4
59.01262	3.0
63.02291	0.4
65.00227	1.1
65.01347	0.5
65.99739	0.9
66.45887	0.3
67.01782	0.6
67.02885	0.4
68.01287	0.6
69.03342	0.7
69.45587	0.7
69.46004	2.5
80.02549	0.7
81.03352	15.5
82.02890	1.1
82.03999	1.5
83.01286	5.9
83.02400	0.9
83.04928	0.4
84.01632	0.4
85.03991	0.4
91.01757	0.6
93.03343	0.4
95.01303	1.4
95.02417	0.3
95.04922	3.3
97.02874	0.8
97.03983	0.9
97.94470	0.3
98.02392	0.9
98.03542	0.4
98.19769	0.6
99.01907	0.3
99.04414	0.7
99.05505	0.7
107.01281	1.6
107.02417	0.5
108.02072	6.1
108.04430	0.5
109.04028	0.4
111.01938	0.3
115.77170	0.3
123.00800	1.5
123.04440	97.0
124.01582	1.3
124.03895	0.3
124.04772	5.8
124.07625	0.9
125.02371	7.4
125.03465	1.1
125.04452	0.4
137.02406	1.6
139.03938	0.6
140.02470	1.4
140.04631	0.4
141.01976	0.5
141.02962	0.4
141.06633	0.6
150.03078	0.6
151.00334	3.3
152.01100	15.3
152.04739	1.2
153.01709	1.1
167.03450	100.0
168.03835	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	168.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47847	0.3
57.03353	0.4
57.34182	0.3
58.02863	100.0
59.01255	0.8
59.03208	1.5
61.98713	0.6
68.99696	0.7
69.03345	0.4
69.33495	2.9
70.02883	0.5
82.95302	0.4
87.00784	0.9
88.39316	0.3
97.02870	0.8
98.19831	0.6
102.58672	0.3
125.02381	3.6
125.09664	0.9
125.99512	0.6
126.90337	0.7
141.01987	0.4
151.11214	0.4
153.01460	1.1
153.99046	0.9
168.03790	1.0
168.10316	0.3
168.13872	9.3
169.01401	2.8
169.05087	0.9
169.08748	0.5
169.12349	0.8
169.14249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0505
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
53.63997	0.2
56.97280	0.3
60.24082	0.2
67.01745	0.2
70.42514	0.8
73.67234	0.2
81.04444	0.3
83.52708	0.2
86.86490	0.3
91.01800	0.4
93.03320	0.2
94.02833	0.3
95.01297	0.6
95.04936	0.3
97.02895	0.2
97.03986	0.6
108.02071	2.9
121.02888	0.5
122.02442	0.2
122.03160	1.0
122.06048	0.3
123.00796	0.9
123.04435	2.2
124.01565	0.4
124.05095	0.4
125.02335	0.2
135.04465	0.7
136.05234	24.0
137.02405	0.3
137.05592	1.5
138.03143	0.4
139.03934	0.7
151.00307	0.7
152.01097	6.7
156.12238	0.2
166.05045	100.0
167.03447	6.2
167.05385	7.3
167.06973	0.3
167.10666	0.2
173.41335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0553
Annotation	Apocynin
Peak:m/z	Relative Intensity
59.01263	0.4
65.01350	0.7
65.03849	0.3
65.76936	0.2
65.99749	0.5
66.00849	0.2
66.03362	0.3
67.02919	0.3
68.01359	0.3
68.84971	0.2
71.01290	0.8
71.08055	0.7
72.99216	0.3
75.00777	0.3
77.03870	0.9
82.04001	0.3
83.02435	0.3
87.00797	0.9
89.02323	0.4
91.05446	1.5
93.03358	2.1
94.02893	0.3
95.01304	0.3
95.02405	0.4
95.04957	0.7
97.03990	0.7
98.02423	0.3
101.03880	2.0
103.05463	0.4
105.01870	0.6
105.03368	0.3
108.02065	0.7
108.04445	0.2
109.02884	0.9
109.03998	0.5
117.03437	0.3
119.04950	15.6
120.02070	0.3
120.05299	1.0
121.02876	15.6
121.06516	0.4
122.02413	0.3
122.03306	0.8
122.06100	0.3
123.00794	0.7
123.01933	0.7
123.03078	0.5
123.04436	0.5
124.01541	0.3
124.05085	0.4
129.03391	10.9
130.04225	3.9
131.04506	0.4
135.04457	4.1
137.02376	2.3
137.06017	0.4
138.01924	0.4
138.03009	0.3
138.05533	0.3
139.05084	0.3
145.02875	1.0
146.03680	6.2
147.04462	100.0
148.04805	8.1
149.00896	0.4
150.03178	2.6
151.00313	1.0
164.04436	0.2
165.01904	3.7
165.04146	1.3
165.05525	17.2
165.07747	0.5
165.09146	1.0
166.02585	1.0
166.05928	1.2
173.02377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1281
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03338	26.5
58.03663	0.7
59.01266	2.2
61.98712	0.9
66.03385	0.9
66.10571	0.5
67.01778	0.8
69.03332	1.8
69.90611	3.6
71.01272	2.3
71.04908	2.8
72.99209	1.0
73.02870	0.6
75.00755	0.8
77.03857	4.0
80.02585	0.7
81.03338	2.6
82.03997	2.0
82.95350	0.7
83.04920	5.0
85.02855	0.9
87.00774	1.5
89.02345	1.5
93.03352	7.6
93.07050	0.7
93.99212	1.1
95.01328	0.6
95.04928	1.8
96.95926	1.1
97.06493	3.6
101.02358	1.1
105.01857	1.3
108.04475	1.0
109.02892	2.7
109.06500	2.8
111.08070	43.5
112.08423	2.1
119.04969	1.6
120.59126	0.5
121.02874	82.4
121.06503	1.0
122.02376	0.7
122.03121	5.2
122.06030	0.6
123.00801	2.0
123.04410	1.6
123.08057	0.5
124.01526	0.7
124.03983	0.8
135.04428	1.3
136.05241	0.7
137.01401	1.0
137.02379	11.8
137.04912	0.7
137.06036	1.1
137.09650	0.7
138.02765	0.6
138.05499	0.7
147.04480	3.8
147.11760	0.9
149.00916	2.4
150.03162	9.2
151.00296	3.8
155.06898	0.5
163.11201	1.9
164.83568	7.2
164.89574	2.4
165.01894	15.5
165.04108	2.1
165.05533	8.8
165.12802	100.0
166.02351	1.0
166.04942	3.7
166.06270	0.7
166.13121	8.9
174.24208	0.6
184.48697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.128
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
56.32511	1.0
57.03336	13.7
59.01248	3.4
61.98704	1.1
62.54767	0.9
63.54327	1.0
66.03370	1.1
66.47168	0.9
67.01785	1.5
68.25126	1.0
68.97090	0.8
69.03340	2.1
69.31062	1.0
70.87143	2.6
70.87480	1.0
71.01269	3.0
71.04906	1.5
72.99202	1.6
73.02843	1.3
75.00767	1.1
77.03858	5.4
80.02552	3.6
81.03355	9.3
82.04002	3.7
83.04915	22.1
87.00758	2.5
89.02339	1.6
92.99715	1.1
93.03351	11.6
95.04913	13.3
96.05216	1.1
97.06490	31.4
101.02332	1.2
105.01842	3.0
107.04942	1.7
109.02843	3.4
109.06473	5.0
111.08064	35.2
112.08407	2.5
119.04943	1.4
121.02871	100.0
121.06484	2.4
122.02454	1.3
122.03112	5.3
123.00760	1.9
123.04415	1.9
123.08048	1.8
135.04445	2.4
136.05202	1.8
137.02364	14.2
137.05984	1.5
137.09653	2.7
138.01845	1.0
138.05501	1.8
147.04453	6.9
147.11687	1.7
149.00919	2.8
149.09644	1.8
150.03156	10.9
151.00272	4.5
163.11223	11.0
164.11491	1.2
164.83571	8.8
164.89458	2.4
165.01862	18.7
165.04140	2.9
165.05530	11.2
165.09178	2.5
165.12799	66.3
166.02420	1.1
166.05002	6.6
166.13148	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	165.0553
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
57.03331	0.2
58.02862	0.2
59.01267	0.4
61.90376	0.1
65.01325	0.4
65.03847	0.4
65.99741	0.4
67.01773	0.4
67.02892	0.3
68.01308	0.2
68.99696	0.3
71.01274	0.2
71.60725	0.3
72.99218	0.2
75.00750	0.2
77.03849	0.4
79.05431	0.2
80.02567	1.6
81.03326	0.2
81.04488	0.4
82.02886	0.3
82.03997	0.7
83.02414	0.2
87.00777	0.3
89.02342	0.3
91.05428	1.7
93.03360	1.5
94.02890	0.2
95.01286	0.5
95.02431	0.5
95.04918	0.4
96.00782	0.2
97.03996	0.5
103.05452	0.3
105.01822	0.4
105.03357	0.6
106.04118	0.6
107.04946	0.8
108.02056	0.2
109.02846	0.6
109.03993	0.3
109.06533	0.5
110.02367	0.2
111.00797	0.9
118.73682	0.1
119.04951	4.9
120.05302	0.4
121.02872	5.7
121.06509	0.7
122.02408	0.2
122.03559	0.7
123.00790	0.9
123.01882	0.4
123.04482	0.3
123.05566	0.3
124.01586	21.0
124.05079	0.6
125.01889	1.1
132.02147	0.3
132.83908	0.2
134.03510	0.1
135.04465	0.6
136.05164	0.2
137.02383	1.6
137.06004	0.6
138.03149	1.5
139.05048	0.2
145.02869	0.3
146.03705	0.5
146.69710	0.2
147.03226	0.2
147.04462	2.0
148.05096	0.2
149.00830	0.2
150.03194	2.1
151.00294	0.5
163.03944	0.6
164.04733	2.4
165.01918	1.7
165.05524	100.0
166.02745	0.3
166.05927	7.4
170.02155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0553
Annotation	Apocynin
Peak:m/z	Relative Intensity
56.72407	0.2
58.67852	0.2
65.03844	0.5
67.01768	0.2
67.12542	0.2
70.96030	0.2
71.32987	0.4
77.03851	0.2
80.02557	1.6
80.83752	0.2
82.04027	0.3
91.05421	1.7
93.03372	1.5
94.57093	0.2
95.01285	0.4
95.04933	0.6
101.03894	0.4
103.05447	0.4
106.04164	1.0
107.04935	0.7
108.02084	3.4
109.02865	3.0
109.06491	0.7
110.00021	0.5
110.03223	0.2
110.80586	0.2
111.00781	0.5
116.46553	0.2
119.04945	5.8
120.05285	0.4
121.02876	10.5
121.06506	2.0
122.03176	0.6
123.00809	0.8
123.04443	2.0
124.01584	25.1
125.01916	1.4
129.03403	2.6
130.04152	0.6
132.02153	0.4
135.04390	1.0
136.01573	1.3
136.04907	0.3
137.02380	3.2
137.06010	18.8
138.03114	0.7
138.06375	1.3
146.03708	1.0
147.04454	15.2
148.04849	1.0
149.02409	0.9
150.03178	14.3
151.03485	0.8
163.03929	0.6
164.04712	1.6
165.05524	100.0
166.05870	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	165.04
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01766	0.8
57.03342	1.0
59.01265	9.5
69.60101	4.0
71.01266	7.9
72.99199	5.6
73.02834	3.6
75.00764	44.2
76.01104	1.0
85.02850	2.3
87.00771	100.0
88.01110	2.6
89.02322	3.3
92.89683	0.6
93.03347	2.4
99.00777	11.5
100.01143	0.7
101.02342	6.5
105.01839	81.4
106.02192	1.9
117.01849	3.4
119.03392	0.8
119.56508	0.7
121.02876	4.3
122.02395	1.4
123.04426	3.1
129.01866	5.5
135.02896	2.3
137.02428	0.8
147.02933	10.9
150.03140	0.8
165.03996	77.3
166.04382	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	165.0552
Annotation	Caffeyl alcohol
Peak:m/z	Relative Intensity
55.01764	0.9
57.03341	1.7
59.01264	9.7
60.02828	0.8
65.03829	1.5
66.03385	1.0
67.01775	1.7
69.03345	1.3
71.01273	1.5
71.20084	1.4
72.99207	1.6
73.42385	0.8
75.00719	0.8
77.03850	3.3
80.02546	1.9
81.03357	1.8
81.04452	1.1
82.04001	7.1
83.02396	0.8
85.02852	3.8
85.88270	0.7
87.00784	1.5
90.42935	0.8
91.05422	5.3
92.99687	1.7
93.03355	12.3
95.01295	1.6
95.04920	5.4
96.05257	0.8
97.02870	2.5
97.03986	2.9
101.02341	1.6
103.05444	2.2
105.01888	1.5
106.04140	5.8
107.04940	18.8
108.02079	6.8
108.05246	0.9
109.02862	5.4
109.06492	2.3
110.00037	0.8
111.00768	1.0
111.08056	3.7
119.04949	14.9
120.05268	1.6
121.02871	93.9
121.06516	3.4
122.02388	1.7
122.03231	4.5
122.06046	1.0
123.00786	4.2
123.03231	3.8
123.04462	6.1
124.01582	74.3
124.05023	2.4
125.01907	3.2
129.03375	1.7
132.02188	0.9
134.03629	1.6
135.04446	41.6
136.01588	2.4
136.05263	4.3
137.02373	13.9
137.05054	1.6
137.06006	18.6
138.02846	1.9
138.05499	1.1
146.03670	1.0
146.57372	0.9
147.04463	17.2
148.04788	2.4
149.00916	2.2
149.02377	2.3
150.01974	1.6
150.03160	27.0
151.00343	3.2
151.03569	1.6
164.04730	2.2
164.83511	1.7
164.89528	1.8
165.01915	15.1
165.04256	3.6
165.05519	100.0
165.09192	2.8
165.12834	1.0
166.02803	1.0
166.04889	19.3
166.06219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0347
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
59.01265	0.8
65.05515	0.2
66.03375	1.2
67.02885	0.3
67.74979	0.2
68.91652	0.2
69.03333	0.2
69.48583	1.0
69.49012	0.6
72.04427	1.7
79.85285	0.2
80.96407	0.5
81.03351	0.8
81.04449	0.3
82.02859	0.2
83.02385	0.2
87.13926	0.2
93.03326	0.3
95.01291	0.3
97.02874	0.4
104.52283	0.2
104.82642	0.2
108.02072	1.2
109.02863	11.0
109.04042	0.5
109.99100	0.6
110.00002	1.3
110.02380	0.3
121.02874	0.7
122.03654	34.8
123.03911	2.1
125.02351	0.8
125.03494	0.3
134.03505	0.3
135.04449	0.2
137.01907	0.7
137.99513	2.9
151.00432	0.3
152.03473	100.0
153.01872	5.9
153.03815	6.0
153.05388	0.3
153.12775	0.4
174.63210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1073
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01755	0.5
58.02857	0.5
59.01257	1.1
65.01324	0.6
67.01785	0.5
68.01331	0.3
69.83614	1.0
69.84032	0.8
70.02858	0.3
71.01244	0.3
71.21603	0.3
73.02861	0.4
83.01275	0.8
83.04889	0.5
84.00797	0.4
84.04447	0.9
85.02842	0.5
93.03342	0.4
96.00802	0.9
98.02438	0.3
108.67266	0.3
109.06498	0.3
111.00819	0.4
111.04430	0.8
112.88309	0.3
113.02337	0.3
114.05517	1.6
123.00816	0.5
127.00322	0.6
128.02513	0.4
128.03386	0.4
129.04482	0.4
137.09660	1.0
139.08760	0.3
140.01089	1.7
140.49896	0.2
145.84097	0.3
149.92525	0.2
154.02838	0.4
154.99841	0.5
155.03610	2.6
155.10722	100.0
156.02922	0.3
156.04112	0.3
156.05595	1.1
156.06717	0.5
156.11067	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	163.0396
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
52.01732	0.2
59.01263	2.4
61.01683	0.3
63.02271	0.4
65.00207	0.5
65.01334	0.8
65.03851	4.4
65.99727	0.7
66.00851	0.4
67.01772	1.2
68.01308	0.3
68.99709	0.8
69.41182	2.3
69.57165	0.2
71.01263	0.6
73.02828	0.4
81.03345	1.1
81.04488	0.5
82.03991	1.9
89.03872	0.3
91.01794	1.4
91.05427	5.4
92.04958	0.6
92.05794	0.4
93.03365	3.8
94.02893	0.4
95.01262	0.4
95.04922	2.6
95.06071	0.6
95.17238	0.2
97.03980	0.6
101.03954	0.3
107.04938	4.7
109.02850	0.4
109.03986	0.5
117.03382	4.8
119.01308	0.9
119.02444	0.4
119.04944	9.4
120.04433	1.0
120.05494	1.0
121.02849	0.8
121.04058	0.9
121.05116	7.9
121.05970	0.5
122.03516	0.5
122.05502	0.3
134.03632	0.5
135.04445	100.0
136.04791	6.9
136.07599	0.9
137.03535	0.4
145.02885	4.0
146.03464	0.7
148.01602	16.5
149.02385	1.4
162.83836	0.3
162.89297	0.9
163.00339	3.6
163.03957	51.4
163.06172	1.9
164.04390	4.0
164.07100	2.8
164.08391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0395
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
59.01251	1.4
65.00196	0.8
65.01334	1.1
65.03854	6.7
65.99733	0.8
66.04205	0.4
67.01775	2.1
67.02929	0.4
68.99707	1.2
70.27139	1.3
71.01263	0.4
78.75580	0.3
79.05431	0.7
81.03348	1.4
82.04004	1.5
85.02847	0.5
88.52912	0.4
91.01788	1.1
91.05430	5.5
91.14138	0.3
93.03361	5.6
95.01296	0.5
95.02424	0.4
95.04923	2.9
101.03880	0.9
106.04047	0.5
107.04936	9.6
108.02065	0.4
109.02869	1.2
117.03367	6.7
119.01285	0.5
119.04943	9.2
120.04403	0.8
120.05390	0.8
120.67786	0.3
121.02863	4.9
121.03884	0.6
121.05126	5.8
121.68522	0.3
122.03586	1.2
123.03187	0.4
133.02928	0.4
134.03650	1.2
135.00812	1.1
135.04448	100.0
136.04794	6.9
137.02350	1.6
137.03389	0.5
144.15091	0.3
145.02895	6.5
145.03951	0.6
146.03621	0.7
147.04480	0.7
148.01599	13.8
149.02394	12.7
153.01830	0.6
162.03224	0.5
162.89314	0.4
163.00331	2.9
163.03957	63.0
163.07632	1.1
164.04718	12.3
164.06909	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	149.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38704	0.3
70.90858	0.8
76.75451	0.3
79.69667	0.3
89.02341	0.4
93.03373	0.6
99.72018	0.3
108.02081	1.8
112.28782	0.4
119.58697	0.3
122.03641	3.1
123.89907	0.3
127.99035	0.3
130.04211	0.6
131.04976	0.6
134.03670	0.6
147.04466	3.7
148.05240	6.8
149.06018	100.0
150.06360	8.8
154.02673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92245	0.7
73.50010	0.2
77.60880	0.2
89.02327	0.5
93.03339	0.4
106.04118	0.6
108.02074	2.4
119.04964	0.5
121.06493	0.3
122.03661	4.3
123.04443	0.2
124.01604	0.3
129.03430	0.4
130.04167	0.5
131.04926	1.0
134.03683	0.5
137.02356	0.5
139.03992	0.4
147.04454	4.5
148.05247	9.0
148.06419	0.5
148.17381	0.3
149.06021	100.0
150.06360	8.4
154.02708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0347
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.00249	0.5
58.02860	1.0
58.73188	0.4
59.01270	1.9
65.01333	1.2
65.03858	1.4
65.99734	2.5
66.00873	0.4
66.03374	5.0
67.01765	0.8
67.02905	4.0
68.01307	3.2
68.99710	0.9
69.00815	0.4
69.03354	0.9
71.11228	0.6
71.11581	0.8
72.00805	0.5
72.04439	6.4
72.99184	0.8
79.95639	0.7
80.96417	1.5
81.03354	4.0
81.04464	2.3
82.02885	2.0
82.03996	1.1
83.01283	1.0
83.02396	1.9
84.00793	0.8
85.02853	1.4
89.02298	0.3
91.01804	0.4
91.02924	1.1
95.01285	2.5
95.02406	2.4
96.00838	0.8
97.02848	0.9
98.02390	0.6
106.04047	2.6
108.02081	23.3
108.04459	1.3
109.02864	70.8
109.04044	3.1
109.06516	0.6
109.99118	2.1
110.00008	6.9
110.02377	1.7
110.03541	3.3
110.07185	0.5
111.01907	2.4
111.04484	0.4
121.02887	1.1
122.03652	32.5
123.00804	2.1
123.03991	1.3
124.01553	0.9
124.04031	0.5
124.05043	0.7
125.02367	3.6
125.03496	4.2
126.01900	0.9
134.03543	6.1
135.00826	0.9
135.01907	0.7
135.04567	0.6
136.01588	0.8
137.01926	6.5
137.99524	13.0
138.02074	0.6
151.00320	0.5
151.11232	1.0
152.00108	4.1
152.01125	3.9
152.03471	100.0
153.01884	38.3
153.03749	5.7
153.05287	2.1
153.09169	0.6
153.12796	1.9
171.13861	0.7
172.42119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15023	0.2
59.01267	0.4
65.63214	0.2
65.99721	0.3
66.03374	0.9
67.02901	0.3
67.10931	0.2
69.95862	1.0
72.04424	1.2
78.03378	1.3
80.96408	0.3
81.03370	0.4
81.04481	0.3
91.88283	0.2
94.31751	0.2
95.01271	0.3
98.19888	0.3
106.02876	0.5
106.04007	0.3
107.03683	4.1
108.02077	0.8
109.02863	7.0
109.03983	0.4
109.99183	0.5
110.00009	1.0
121.02842	0.6
121.06776	0.3
122.02357	0.9
122.03654	23.4
123.03997	0.9
124.03992	0.3
125.02370	0.7
134.02431	0.3
134.03508	0.5
135.03123	0.3
137.01949	0.5
137.99524	2.0
150.01933	0.3
152.03474	100.0
153.01910	3.8
153.03815	5.9
153.05173	0.4
153.05588	0.3
153.12862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0294
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
59.01267	28.5
61.27130	3.7
65.98724	3.7
68.99702	4.5
70.81042	8.0
71.01268	100.0
72.01594	3.5
72.99197	10.7
75.00775	14.4
76.77320	3.4
85.02838	6.7
89.02341	8.1
90.85033	3.5
94.38043	3.8
99.00786	46.3
101.02374	6.0
103.31015	3.1
113.25100	3.4
117.01970	3.2
120.06583	3.4
147.01903	7.1
147.02936	12.7
147.04454	16.5
148.05070	8.3
156.88420	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
52.45078	0.9
59.01266	6.6
62.61194	0.9
63.65992	0.9
69.03332	1.5
70.94273	2.3
71.01271	23.0
73.02843	16.2
74.03186	1.0
85.02863	0.9
87.00775	11.7
89.02343	100.0
90.02658	3.0
93.77460	1.0
101.02334	1.3
103.03922	6.6
131.03442	12.7
149.04491	45.8
149.05980	9.7
150.04845	3.5
150.06238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	L-xylulose
Peak:m/z	Relative Intensity
55.14963	0.4
59.01268	6.0
59.28986	0.4
69.03337	2.6
69.34116	3.3
69.34530	1.3
71.01272	32.3
72.01619	0.8
73.02839	19.2
74.03159	0.6
83.10357	0.4
85.02837	0.9
87.00239	0.6
87.00771	11.7
89.02339	100.0
90.02673	3.0
98.19759	0.8
101.02332	1.6
103.03927	5.4
131.02470	0.8
131.03432	12.2
131.05626	0.5
132.03766	1.0
149.04501	46.9
150.04840	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	149.045
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
54.26031	1.4
55.71921	1.4
59.01255	4.8
61.86495	1.2
64.02510	1.3
67.18758	1.3
69.03333	2.5
69.65363	6.4
69.65766	3.5
71.01269	32.8
73.02836	18.9
87.00760	12.2
89.02334	100.0
90.02654	2.6
103.03895	5.8
115.42863	1.4
131.03430	12.7
149.04488	46.5
150.04846	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	149.0602
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
57.35777	0.0
65.03850	0.1
65.29717	0.0
67.01771	0.1
69.06372	0.0
70.73505	0.1
79.05416	0.1
80.02570	0.2
81.03347	0.1
93.03348	0.5
93.06997	0.1
95.01338	0.1
103.05457	0.3
105.06985	0.1
106.04141	0.2
107.04933	0.2
108.02073	1.6
109.02948	0.1
111.00802	0.2
119.04929	0.3
121.02885	0.3
121.06497	0.4
122.03656	3.8
123.00826	0.1
123.03908	0.1
123.04440	0.2
124.01588	0.5
129.03355	0.4
130.04161	0.6
131.04961	0.8
134.03636	0.3
137.02383	0.4
139.03931	0.3
147.04463	3.6
148.05251	7.6
149.06015	100.0
150.06351	7.2
153.01846	0.1
154.02670	0.4
155.43639	0.0
163.70773	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	137.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95642	0.2
59.16550	0.3
65.03845	0.7
69.81335	1.6
72.42255	0.2
83.43405	0.2
87.72829	0.2
88.98373	0.2
93.03362	100.0
94.03696	6.3
105.17120	0.2
108.02069	1.0
109.02864	0.4
123.03075	0.3
137.02380	25.1
138.01865	1.0
138.02774	1.5
141.79285	0.3
147.89265	0.3
151.74544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0238
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.61895	0.2
65.03844	1.0
70.40011	0.9
70.40377	0.2
93.03358	100.0
94.03694	6.1
100.55042	0.2
137.02373	18.3
138.01810	0.4
138.02745	1.2
159.46407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.019
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01779	1.0
65.01321	1.0
65.99736	0.6
66.00851	0.9
66.03371	0.8
67.01771	3.2
67.02918	0.9
68.01303	1.7
68.99716	0.7
69.03336	0.4
69.85201	2.7
81.04458	0.6
82.02863	0.8
83.01298	2.4
83.02415	0.8
84.75571	0.4
93.03364	1.3
94.02872	0.6
94.03165	0.5
94.03694	4.1
95.01300	1.4
95.02412	0.7
95.04905	0.6
96.00816	0.8
96.05568	0.7
97.02806	0.4
97.03966	1.1
102.17139	0.5
108.02077	51.6
109.02394	3.4
109.04016	0.7
109.69266	0.4
110.00015	0.7
110.02367	0.6
111.00793	11.4
111.01917	1.8
111.04443	0.6
120.01958	1.4
123.00811	1.2
123.01904	0.6
123.03157	1.1
124.01580	0.7
138.01897	100.0
138.02757	4.2
138.05460	3.2
139.00327	6.9
139.02263	5.0
139.03992	2.5
139.05032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0191
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.51761	4.1
69.52155	0.8
98.20548	0.6
102.61137	0.5
108.02080	47.3
109.02419	2.3
126.45252	0.6
135.45003	0.5
138.01907	100.0
139.02260	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00204	17.4
58.02867	10.7
59.01261	6.1
68.99699	5.1
69.83241	8.6
71.01270	41.0
72.99191	1.5
74.88244	1.3
76.22962	1.3
80.99708	6.0
85.02847	2.2
87.00777	11.1
96.99211	22.4
97.99605	2.0
98.19844	1.6
99.04425	3.4
102.05507	5.9
111.00819	1.9
112.98715	28.6
115.00282	6.8
124.98726	55.3
125.99074	4.2
140.98241	9.0
140.99210	1.4
142.99799	100.0
143.03429	3.2
144.00146	5.7
144.04465	2.3
144.06598	4.8
158.99298	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	145.0137
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
55.01766	12.5
57.03341	20.4
59.01268	39.3
70.57080	6.7
70.57423	6.6
71.01274	100.0
72.99205	20.8
73.02845	18.4
74.02377	6.3
77.42922	3.0
77.86639	3.2
83.01285	41.5
83.04914	6.6
87.00775	58.1
87.11989	3.1
99.00781	16.9
99.04422	3.5
101.02348	82.7
101.05994	9.5
102.05516	44.7
112.98741	9.4
115.00282	80.9
119.31905	3.2
127.00298	51.8
128.03461	22.1
145.00282	6.3
145.01343	51.4
145.02518	4.2
145.02972	4.0
145.03970	5.8
145.05016	13.3
146.02490	6.7
146.04529	11.4
153.52585	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	145.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	12.5
57.03341	20.4
59.01268	39.3
70.57080	6.7
70.57423	6.6
71.01274	100.0
72.99205	20.8
73.02845	18.4
74.02377	6.3
77.42922	3.0
77.86639	3.2
83.01285	41.5
83.04914	6.6
87.00775	58.1
87.11989	3.1
99.00781	16.9
99.04422	3.5
101.02348	82.7
101.05994	9.5
102.05516	44.7
112.98741	9.4
115.00282	80.9
119.31905	3.2
127.00298	51.8
128.03461	22.1
145.00282	6.3
145.01343	51.4
145.02518	4.2
145.02972	4.0
145.03970	5.8
145.05016	13.3
146.02490	6.7
146.04529	11.4
153.52585	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	133.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	1.1
57.03345	0.6
59.01264	1.3
64.00558	0.7
64.01808	1.6
65.01332	19.8
65.99738	4.5
66.00849	0.5
66.03362	0.8
67.02894	1.4
67.66101	0.5
68.01312	1.4
70.47938	0.7
70.48302	1.8
71.01270	22.7
72.01596	0.7
72.99191	9.5
73.02834	0.7
75.00760	3.0
79.02901	2.0
81.04488	1.5
82.04021	0.7
87.00758	3.3
87.04401	2.8
88.57067	0.5
89.02335	2.7
90.00858	1.1
91.02913	8.9
91.05449	1.0
92.01318	3.7
92.01890	0.7
92.02440	6.7
92.03025	0.6
92.03262	0.8
93.00826	0.9
95.04929	1.1
105.04505	1.8
105.07019	0.5
106.02912	0.9
106.04039	13.7
107.02424	13.7
107.03565	1.7
108.02067	1.5
115.00284	22.6
123.04430	5.1
129.65570	0.5
130.04184	0.7
131.04964	5.8
132.05743	13.6
132.86720	1.4
133.01384	5.3
133.04001	9.4
133.05028	11.5
133.06520	100.0
134.02469	1.5
134.03537	24.5
134.04643	7.6
134.06856	9.2
135.07254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0653
Annotation	Chavicol
Peak:m/z	Relative Intensity
52.68022	0.3
53.13424	0.3
65.01333	0.3
70.37402	0.5
70.37809	0.9
71.01267	1.2
72.99200	0.9
87.04376	0.5
91.05428	1.1
93.03389	0.5
95.04921	1.2
105.07018	0.7
106.04150	3.8
107.04953	0.7
108.02115	0.5
114.08950	0.4
115.00301	1.1
116.57172	0.3
123.04433	4.0
130.04175	0.7
131.04964	5.7
132.05750	14.9
133.06520	100.0
134.03673	0.7
134.04649	0.7
134.06856	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	135.0445
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.68297	0.7
64.01798	1.3
65.01329	4.9
65.47755	0.8
65.99734	3.4
66.00865	1.0
67.02894	2.0
71.01262	2.2
71.15163	1.9
72.99186	2.4
73.02808	1.3
75.00743	1.2
79.02880	1.1
85.02840	3.5
91.51805	0.9
92.02435	1.2
92.04932	1.2
93.03333	4.4
94.02850	0.9
96.03163	1.0
101.02401	0.9
106.04030	5.4
107.04948	7.5
108.02067	4.9
109.03979	2.3
113.36574	0.8
118.03992	0.9
118.09793	0.9
120.75743	0.7
121.02862	12.3
123.04465	0.8
124.18849	0.8
133.36433	0.8
134.03661	5.9
135.01898	2.5
135.04451	100.0
136.01581	4.2
136.03871	1.5
136.04842	10.9
143.31102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0446
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.51102	1.9
65.01340	4.1
67.01768	4.7
71.17361	2.2
71.46238	3.1
71.90154	3.0
85.02885	2.9
93.03391	4.1
95.13486	2.2
96.03183	3.6
106.04018	6.6
107.04938	10.0
108.02076	4.0
117.63136	2.5
121.02880	15.1
134.03679	6.8
135.04460	100.0
136.01483	3.9
136.04836	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	129.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75083	3.0
55.01766	13.5
57.03340	53.2
58.02864	30.5
59.01243	3.6
61.01746	2.8
61.46302	2.9
67.01776	100.0
68.99700	15.2
69.89676	18.2
71.01270	14.7
72.99200	6.0
73.02824	7.6
78.62540	2.7
83.01262	6.6
85.02840	42.5
87.00761	4.6
88.03937	39.2
98.20454	3.9
99.00791	4.9
101.02324	6.8
111.00806	4.7
129.01862	41.2
129.05484	3.3
129.22446	2.9
130.04047	23.4
130.08632	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	133.0136
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
59.01257	1.0
70.93665	1.5
71.01271	68.6
72.01601	2.0
72.99200	15.9
73.10310	0.7
73.99549	0.8
79.64347	0.6
87.00761	1.6
89.02338	7.8
96.17811	0.7
97.31110	0.7
97.76864	0.7
98.20422	0.8
115.00285	100.0
116.00589	4.5
119.78188	0.7
121.88544	0.7
133.01355	24.9
133.05067	0.8
134.01720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72536	16.7
71.01273	49.2
72.99197	14.5
74.44880	2.3
74.76713	2.1
86.60519	2.3
87.00781	3.9
89.02328	8.2
96.95603	2.3
98.20546	4.0
115.00285	100.0
115.01089	5.1
116.00608	2.9
133.01352	34.0
133.04965	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56382	4.6
65.01330	23.2
65.99724	6.0
69.49505	14.9
69.49928	26.7
71.01271	49.9
72.62075	4.5
72.99191	16.7
73.40833	5.9
83.92720	4.2
87.00832	5.2
87.63604	4.8
89.02374	4.6
91.02915	17.5
92.01351	7.6
92.02440	11.4
106.04039	20.5
107.02423	19.3
115.00288	58.3
123.04418	5.5
131.04955	10.0
132.05737	8.2
133.01384	18.6
133.04100	9.0
133.05037	12.7
133.06535	100.0
134.03531	39.2
134.04645	13.2
134.06929	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	129.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	10.6
56.33168	3.0
56.77881	3.1
57.03339	36.7
58.02866	53.7
58.92254	3.1
59.01263	5.3
59.40167	2.9
59.77959	2.5
62.42066	2.9
66.18466	2.8
67.01780	71.0
68.02100	2.9
68.51723	2.8
68.99706	14.4
70.74296	9.5
70.74651	3.1
71.01263	9.0
72.99181	5.2
73.02837	8.7
75.64977	3.4
83.01263	7.3
85.02846	100.0
86.03184	3.8
86.81649	3.1
88.03931	66.7
88.50833	2.9
88.85680	2.9
99.00770	3.6
101.02345	11.5
108.23733	3.0
111.00798	4.3
129.01862	36.6
129.05457	2.9
130.04022	24.6
130.05019	9.5
135.47723	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	127.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	4.4
55.80186	2.8
57.03330	5.1
58.02856	15.6
59.01262	13.3
65.99715	4.6
66.03358	6.3
68.01290	5.8
69.51183	17.5
71.01259	16.0
81.03359	6.6
82.02850	5.4
83.01279	9.5
83.04909	8.0
84.04411	3.6
85.00397	3.0
85.02849	16.2
85.03963	59.5
86.02370	17.0
98.02382	3.9
99.00787	13.2
100.03941	5.7
103.93735	2.8
105.04331	2.7
109.02831	3.8
109.06524	6.3
110.02374	7.8
124.84377	3.0
126.90326	17.1
126.99439	5.0
127.00304	40.2
127.01327	5.5
127.03977	13.6
127.05058	9.6
127.07574	100.0
128.01204	4.3
128.03462	21.8
128.07063	8.9
128.07872	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	1187.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01271	0.4
85.02860	0.1
91.01812	0.2
93.03362	0.3
98.19688	0.2
105.18111	0.1
107.01305	1.2
108.02071	0.6
109.02860	0.6
117.03403	0.4
117.13129	0.1
119.01291	0.1
121.02882	0.8
123.00697	0.1
125.02364	0.4
129.84491	0.1
131.01302	0.2
133.02896	0.2
135.00793	0.6
136.01501	0.1
137.02402	0.3
147.00890	0.1
148.00601	0.1
148.01611	0.6
149.02364	0.6
151.00305	4.9
151.04022	0.1
152.00859	0.2
153.01868	0.3
159.04526	0.1
161.02376	0.3
163.00320	1.5
163.03923	0.2
164.01100	0.3
165.01843	0.4
169.01361	0.4
169.06381	0.1
171.04463	0.2
172.05380	0.1
173.02409	0.2
175.00328	0.6
175.03928	0.2
177.01843	0.4
178.99829	2.9
183.04527	0.3
185.06064	0.1
187.03957	0.4
189.01898	0.3
189.05580	0.1
190.02640	0.2
190.99829	0.3
191.03461	0.2
192.00655	0.2
193.01425	0.5
199.03938	0.5
201.02054	0.2
201.05556	0.2
202.02669	0.1
202.99974	0.1
203.03571	0.2
205.01373	0.4
207.02977	0.2
209.01018	0.1
211.03996	0.6
213.05589	0.2
215.03510	0.7
216.04205	0.4
217.01398	0.2
225.05513	0.2
226.02719	0.9
227.03520	1.7
228.04010	0.2
229.01334	0.2
229.05014	0.3
230.06146	0.2
231.02982	0.2
235.02477	0.1
239.03630	0.2
243.03023	6.0
244.03575	0.4
245.04498	0.5
253.05109	0.1
254.02205	1.4
255.03027	15.6
256.03387	1.1
257.04541	0.3
259.02472	0.1
268.87280	0.1
269.04596	0.4
271.02533	33.2
272.03055	2.2
273.04031	0.6
279.03131	0.1
281.04620	0.5
282.05298	0.2
283.02515	0.6
283.05981	0.3
284.03342	0.3
285.03998	0.2
293.04605	2.4
295.02454	0.1
297.04080	0.5
298.04877	0.3
299.02081	1.6
299.05228	0.2
300.02811	65.4
301.03519	19.3
302.03867	0.8
309.04123	0.7
311.05701	0.8
313.03601	0.5
314.04196	0.7
323.05774	0.2
325.03473	1.0
327.05164	0.5
341.06903	0.1
343.04602	1.8
355.04556	0.3
361.16589	0.2
369.06409	0.1
373.05670	0.5
413.08838	0.4
429.08459	0.1
445.07339	0.2
447.10156	0.5
449.20383	0.2
457.11542	0.4
463.09335	0.3
486.91782	0.1
489.10590	1.2
565.15894	0.2
576.14984	0.6
577.15918	1.3
578.16040	0.1
591.13660	0.3
592.14178	0.2
593.15283	1.4
594.15350	0.3
608.14215	0.5
609.14740	100.0
610.15076	9.6
611.25714	0.2
629.88947	0.1
770.85797	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
59.01250	1.2
70.86354	1.1
73.02837	100.0
74.03179	2.7
89.35583	0.4
99.00780	9.0
99.92490	0.8
107.55415	0.4
116.92802	2.2
117.01856	18.1
117.92820	0.4
133.88562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01802	2.3
54.97927	1.4
55.01757	5.9
56.25873	1.6
57.03335	27.9
57.99231	1.9
58.02859	12.3
59.01239	3.0
67.01779	4.0
68.01288	2.8
68.99454	30.3
69.03342	17.0
70.48004	4.8
71.01266	8.6
71.02396	28.1
72.00800	17.4
72.99184	7.6
83.01257	5.4
83.02389	3.8
84.02065	12.9
85.02843	100.0
86.02361	15.0
86.03184	3.7
95.01256	2.1
96.00806	21.7
100.31947	1.6
113.02355	40.8
113.03485	14.2
113.35574	2.0
114.00886	2.6
114.01884	12.5
114.02614	3.2
114.05531	13.4
117.21601	1.8
126.13563	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	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91547	2.1
70.53279	3.6
70.53664	3.4
70.54363	2.2
71.01269	100.0
72.01609	3.1
115.00329	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	115.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83450	1.3
58.02856	5.6
59.01271	10.8
63.78412	1.4
65.01333	8.4
69.03333	1.7
70.80888	4.6
71.01271	8.8
71.04901	12.1
72.04441	3.5
72.90274	1.4
73.02842	25.5
73.03960	100.0
74.02363	28.7
74.04311	3.2
85.06489	13.8
87.00793	2.4
87.41628	1.3
89.01351	18.4
95.04943	1.6
97.02856	2.1
97.06501	1.6
109.54353	1.5
113.06002	4.9
114.93358	2.2
115.00304	2.9
115.01441	1.6
115.02969	2.8
115.03937	6.6
115.05070	9.4
115.07568	30.0
116.02473	27.2
116.03336	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	1125.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01272	0.2
85.02845	2.1
87.00745	0.1
89.02341	1.1
93.03361	0.1
95.01286	0.1
99.00735	0.1
99.04422	0.1
101.02354	1.2
103.03922	0.6
107.01294	0.2
108.02081	0.1
109.02856	0.1
113.02324	0.2
117.03359	2.3
119.03422	0.2
119.04967	0.1
120.17936	0.1
121.02858	0.2
125.02370	0.1
127.03859	0.1
131.01306	0.5
133.02925	0.1
149.02385	0.1
151.00352	0.2
159.04454	0.3
161.02380	0.7
163.00291	0.3
163.03957	0.2
165.01846	0.2
173.02415	0.9
175.00330	2.2
175.03909	0.1
176.00699	0.1
183.04454	0.2
189.01990	0.1
193.06618	0.1
197.06139	0.2
199.04149	0.1
201.05563	0.1
209.06158	0.1
210.06905	0.1
211.03964	0.1
213.05740	0.1
217.05017	0.1
225.05597	0.2
226.06313	0.1
227.03485	0.2
237.05571	0.3
239.03497	0.1
239.07114	0.1
240.04367	0.1
249.05699	0.3
251.03484	0.1
251.07039	0.1
253.05133	0.4
254.05882	0.4
265.05090	0.3
267.07144	0.2
268.03815	2.0
269.04608	13.4
270.04907	1.0
279.06696	0.3
281.04617	4.5
282.05386	4.6
283.06165	4.9
284.06592	0.3
291.06937	0.1
293.04630	33.7
294.04980	2.3
295.06158	2.5
295.09344	0.1
296.06537	0.3
305.04675	0.2
306.05304	0.5
307.06161	0.6
308.03445	0.4
309.04126	0.7
309.07693	0.3
310.04889	0.6
311.05685	7.3
312.06076	0.4
314.04388	2.2
315.04715	0.2
319.06235	0.1
321.04132	0.2
321.07742	0.2
323.05670	7.4
324.06116	0.5
325.07159	0.3
335.05728	2.4
336.06094	0.2
337.03580	0.3
337.07281	1.0
339.05151	0.3
341.06729	8.7
342.06955	0.6
347.05649	0.4
353.06735	2.0
354.07211	0.1
355.08353	0.5
365.06668	1.1
369.06503	0.1
371.07599	0.1
383.07800	20.0
384.08173	1.4
400.07983	0.2
401.08603	0.6
457.11542	2.4
458.11633	0.3
517.19611	0.5
547.14691	100.0
548.15051	10.1
577.15784	5.4
578.16229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	12.9
64.00908	2.3
67.01781	38.9
70.55244	8.6
75.63722	2.7
78.95796	100.0
79.95623	5.4
83.01272	38.7
95.92302	2.7
110.82978	2.9
110.97492	20.3
110.98303	4.1
111.00788	96.0
112.01093	3.5
120.36561	2.6
123.08052	2.8
124.23099	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	1111.296
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01774	0.1
83.01249	0.1
85.02841	0.2
89.65142	0.1
93.03345	0.5
106.77119	0.1
107.01313	0.1
110.50891	0.1
117.03374	2.4
119.04935	0.2
121.02890	0.1
121.35467	0.1
125.02310	0.1
131.01315	0.1
131.04883	0.2
133.02901	0.1
133.06546	0.1
135.04449	0.7
137.02403	0.2
145.02954	0.1
147.04459	0.3
149.02391	0.5
149.05963	0.1
151.03870	0.1
159.04434	0.4
161.02383	1.1
161.06033	0.1
163.03978	0.7
165.01901	0.1
165.05513	0.1
171.04459	0.1
173.02420	0.4
173.06033	0.2
175.00325	0.6
175.03952	0.9
177.01884	0.3
177.05534	0.5
179.03497	0.2
185.02422	0.1
187.03960	0.2
189.01901	0.4
189.05537	0.3
191.01884	0.2
191.03436	0.8
193.04994	0.1
199.04002	0.1
203.03506	0.8
205.01373	0.2
205.05063	0.3
210.06989	0.1
215.03500	0.2
217.05057	0.3
221.04469	0.5
223.07677	0.2
224.08315	0.1
225.05589	0.2
225.09230	0.1
229.04955	0.1
231.02927	0.1
233.04559	0.4
237.05605	0.2
237.09277	0.1
238.06326	0.2
239.07228	0.2
241.05154	0.1
242.56638	0.1
245.04565	0.3
249.05737	0.2
251.07281	0.2
253.05302	0.1
253.08728	0.2
263.05487	0.1
265.05194	0.2
265.08835	0.1
266.05881	0.1
267.06702	0.4
268.07477	0.6
269.04602	0.3
279.06799	0.2
281.04443	0.4
281.07623	0.1
282.05414	1.2
283.06183	2.4
284.06531	0.2
293.04630	9.4
294.05136	0.6
295.02768	0.1
295.06171	2.7
296.06921	1.6
297.07742	8.9
298.08087	0.6
300.36774	0.1
305.04541	0.2
306.05405	0.1
307.06219	1.0
308.06940	0.1
309.04407	0.1
309.07681	1.3
311.05652	2.9
312.06134	0.2
314.04398	0.2
319.06143	0.2
321.04178	0.3
321.07697	0.2
322.04700	0.2
323.05670	2.5
323.09198	0.1
324.06436	0.6
325.07254	3.7
326.07480	0.3
328.05951	1.9
335.05667	1.0
336.06293	0.2
337.07230	2.2
338.07455	0.2
339.05325	0.1
339.08902	0.1
340.05948	0.1
341.06726	0.7
347.05981	0.2
349.07352	0.2
351.05127	0.5
351.08945	0.1
353.06735	20.5
354.07001	1.2
355.08237	0.7
356.05353	0.6
361.07187	0.2
365.06699	3.4
366.07227	0.3
367.08279	0.4
377.06909	0.3
379.08148	0.5
381.06290	0.3
383.07800	18.9
384.08173	1.3
389.06769	0.2
395.07831	1.8
396.08328	0.2
397.09378	0.3
407.07727	1.0
408.07959	0.1
409.09549	0.1
413.08856	6.1
414.09332	0.4
419.07837	0.2
425.08929	2.3
426.09039	0.2
437.09036	0.4
443.09940	9.6
444.10312	0.8
446.08624	0.1
455.09952	1.4
456.09851	0.1
457.11877	0.2
473.10977	5.7
474.11749	0.5
485.10892	0.4
497.10718	0.2
503.12195	0.2
515.12018	1.1
521.52386	0.1
532.12555	0.1
533.13110	100.0
534.13434	6.8
577.15753	9.4
578.15936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
77.19900	0.1
121.02856	0.1
130.04146	0.1
132.18152	0.1
147.04475	0.1
148.05225	1.1
149.06004	0.3
161.05995	0.1
163.03989	0.3
176.04703	0.1
186.06813	0.2
196.05217	0.4
199.04019	0.2
200.54179	0.1
201.05615	0.1
209.09785	0.1
211.03940	0.1
212.04768	0.3
213.05565	0.8
214.06343	4.2
215.06847	0.4
222.06940	0.2
223.07542	0.1
225.08943	0.1
227.03488	0.3
228.07771	0.1
229.43315	0.1
237.09259	0.1
238.10033	0.2
240.07813	0.1
248.04909	0.1
249.05621	0.1
250.06238	0.2
251.07225	0.1
253.08685	0.1
254.09489	0.2
255.10297	9.0
256.10715	0.7
263.10776	0.1
264.07971	0.1
267.06647	0.2
273.05573	0.1
275.07135	0.3
276.07751	0.1
277.05203	0.2
277.08752	0.1
278.05710	0.1
279.06613	0.3
286.06277	0.1
287.07233	0.1
288.04352	0.1
289.05109	0.1
289.08685	0.2
290.05875	0.1
290.09396	0.1
291.07086	0.2
291.10278	1.3
292.10809	0.2
293.04776	0.3
293.08328	0.6
296.06998	0.2
297.08313	0.1
299.07239	0.2
299.10797	0.2
301.05057	0.2
301.08774	0.4
302.05838	0.2
303.06696	0.7
303.09927	0.1
304.07297	0.2
305.04874	0.1
305.08295	0.2
306.05463	0.1
307.06055	0.2
307.09677	0.2
308.03424	0.5
313.08636	0.3
313.12186	0.1
315.03104	0.1
315.06830	0.2
315.10333	0.3
316.03766	0.2
316.07260	0.2
316.10910	0.2
317.04721	0.2
317.08261	0.5
318.05429	0.1
318.08963	0.3
319.06470	0.4
319.09796	9.7
320.03262	0.5
320.06989	0.3
320.10361	1.8
321.04437	0.2
321.07730	0.3
323.10818	0.1
323.14322	0.2
325.08682	0.3
326.09406	0.2
327.10245	0.8
328.07462	0.1
328.11035	1.7
329.04706	0.2
329.08234	0.6
329.11761	0.2
330.05273	0.3
330.08856	0.2
331.06131	1.3
331.09912	1.3
332.06906	0.4
333.04099	1.2
333.07880	0.2
333.11490	0.1
334.04791	0.3
336.10056	0.3
337.10873	15.8
338.11340	1.2
339.14038	0.2
343.05988	0.2
343.09775	1.1
344.06726	0.2
344.10583	0.8
345.07693	0.3
345.11404	0.3
346.08484	0.2
346.12201	0.3
347.05643	1.8
347.09482	0.7
348.06467	1.7
348.10632	0.2
349.07260	9.1
349.12259	1.4
350.07568	0.7
350.12955	0.3
351.10306	0.2
351.13995	0.5
353.08182	0.4
353.11716	0.2
354.08969	0.6
354.12769	0.1
355.05939	0.2
355.09860	0.5
356.10712	0.2
357.07767	0.9
357.15097	0.3
358.08295	0.2
360.10086	0.2
361.07181	0.3
361.11234	0.5
362.07941	0.4
362.11734	0.2
365.11920	0.4
366.12805	0.2
367.13351	0.5
369.15054	0.9
370.15686	0.1
371.09305	1.9
371.13394	0.1
372.10065	3.1
373.07104	0.1
373.10855	1.5
374.07602	0.4
375.08752	1.1
377.11841	1.1
378.12668	1.3
379.09787	0.4
379.13821	0.2
380.10641	1.1
381.11343	0.3
385.14581	0.3
387.15921	0.1
389.10376	15.6
390.10995	3.6
391.11633	0.2
393.11456	0.2
394.12073	0.4
395.12952	6.9
396.13422	0.7
403.15582	0.7
413.14014	1.7
431.15063	100.0
432.15408	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	1099.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
81.88310	0.2
83.01285	0.3
85.02850	0.7
87.00771	0.9
89.02327	1.3
91.05444	0.2
95.04945	0.3
97.02859	0.2
99.00812	0.2
101.02361	1.8
109.02824	0.4
113.02353	0.9
119.03416	0.2
119.04945	0.4
125.02365	0.4
129.03410	0.2
130.04143	0.3
131.04971	0.4
133.02917	0.3
135.04419	0.8
143.04944	0.5
145.02901	0.3
145.06525	1.0
146.03653	1.9
147.04465	7.8
148.05241	3.4
149.05960	0.3
155.04958	0.7
156.05525	0.2
158.03651	0.6
159.04457	12.3
160.05246	1.5
161.02377	0.4
161.04613	0.4
161.06013	7.6
162.06601	0.2
167.10791	0.2
171.04491	0.3
172.05244	4.8
173.06032	18.0
174.03188	3.1
174.06808	3.2
175.03952	3.4
175.07568	0.7
176.04686	0.8
179.05586	0.4
183.04504	0.5
183.13863	0.7
185.06044	3.0
186.03259	0.2
186.06824	2.0
187.03987	5.5
187.07605	6.0
188.04726	0.4
188.08383	0.9
189.05544	17.3
189.09143	0.7
190.05927	0.6
193.12242	0.3
197.06000	0.9
198.06779	0.5
199.07620	1.2
200.04750	0.5
200.08449	1.0
201.05553	7.1
201.09166	1.5
203.07172	0.4
204.04181	0.3
211.07675	0.6
211.13379	7.2
212.08301	0.3
212.13695	0.3
213.05537	0.2
213.09192	0.6
214.06276	0.3
215.05258	0.3
215.07138	3.5
215.10574	0.3
216.07915	20.4
217.08435	1.0
217.12384	0.3
218.05812	0.5
221.06615	1.2
221.15317	0.3
225.09261	0.2
226.09926	0.2
227.10820	0.2
229.08673	0.8
229.12260	0.5
231.13991	0.3
240.07834	0.3
241.12312	1.2
243.13940	0.5
253.15979	0.3
255.13849	1.0
256.14755	0.4
257.11890	0.3
257.15466	0.9
267.13962	0.3
269.15427	0.6
271.13486	1.7
271.17050	0.6
283.13416	4.0
284.13800	0.4
285.15018	3.4
289.14343	0.9
295.17072	0.3
297.15036	15.2
297.18298	0.5
298.15381	1.1
299.13086	1.2
299.16037	0.3
300.13733	12.8
301.14441	3.7
302.14975	0.3
311.13086	0.6
311.16690	0.8
312.13657	0.5
313.14655	0.2
313.18146	2.6
315.16068	5.8
315.19656	0.4
316.16382	0.5
317.14035	0.6
318.14792	4.3
323.16599	4.6
324.16895	0.6
325.14374	0.3
329.13956	0.4
330.14679	0.3
331.19223	0.4
339.16003	0.5
341.17642	46.9
342.17984	4.5
357.17090	0.3
359.18704	17.7
360.19040	1.5
415.21378	0.4
433.22092	0.3
507.80505	0.2
577.27039	0.3
595.27673	0.2
643.90375	0.2
739.32166	1.6
757.33002	14.5
758.33398	1.9
835.01593	0.3
919.46405	0.3
951.46301	1.2
952.47949	0.2
971.41705	0.4
983.43298	0.4
997.44659	0.6
998.44794	0.3
1040.46375	2.7
1041.46277	0.4
1081.50403	5.8
1082.49597	1.2
1099.51416	100.0
1100.51648	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	1057.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01281	0.7
93.03331	0.5
107.01301	2.7
108.02092	0.8
109.02879	0.8
121.02879	1.6
123.00790	0.3
125.02359	0.6
133.02864	1.6
134.03595	0.4
135.00787	0.3
148.01611	0.5
149.02383	0.5
151.00304	10.9
152.00594	0.3
153.01794	0.4
163.00331	2.3
164.01068	0.3
169.01407	1.1
169.06566	0.2
171.04361	0.3
175.03987	0.9
178.99829	4.1
183.04501	0.5
184.08873	0.2
187.03964	0.7
190.99754	0.3
195.06528	0.3
197.06192	0.3
199.04008	1.0
201.02040	0.5
201.05551	0.5
203.03465	0.4
211.03949	1.6
213.05424	0.4
214.02733	0.3
215.03539	0.5
216.04402	0.3
217.05074	0.4
226.02710	1.1
227.03508	7.6
228.04031	0.6
229.05057	1.5
239.03412	0.6
241.05034	0.6
243.03021	7.1
244.03397	0.3
245.04546	1.3
254.02223	1.6
255.03020	31.3
256.03555	3.5
257.04541	1.1
271.02536	41.5
272.02988	2.9
273.04095	0.8
283.02423	1.4
284.03320	47.8
285.04089	48.6
286.04498	2.9
299.02161	1.6
300.02817	81.7
301.03543	37.3
302.04041	1.9
309.04044	0.5
327.05316	0.6
328.05127	0.3
357.09900	0.4
429.08096	0.3
447.09381	2.8
462.08350	0.3
463.08917	83.2
464.09201	6.6
521.94031	0.3
593.15234	100.0
594.15552	11.3
609.14587	0.3
904.90283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02876	0.2
79.81760	0.1
82.69621	0.1
83.01266	0.3
85.02857	0.3
89.02341	0.2
98.19803	0.3
101.02361	0.3
101.86024	0.2
107.01313	1.0
113.02357	0.4
117.03412	0.4
122.79935	0.1
125.02316	0.9
135.00786	0.2
137.02478	0.2
147.04579	0.2
149.02412	0.3
151.00307	3.3
152.01019	0.2
153.01877	0.6
159.04453	0.3
161.02400	0.2
163.00270	0.6
164.01161	0.2
165.01888	0.2
165.08267	0.2
169.01369	0.6
171.04408	0.4
175.03949	0.2
178.99835	1.1
183.04503	0.3
187.03931	0.4
189.01935	0.2
191.03426	0.1
199.03992	2.4
201.01857	0.9
203.03554	0.9
204.04219	0.5
205.05048	0.2
211.04004	0.2
215.03500	2.7
216.04208	0.3
217.01299	0.2
225.01956	0.4
225.05585	0.2
226.02696	0.2
227.03506	2.3
228.04013	0.2
229.01416	0.4
231.02956	0.5
239.03429	0.2
241.01439	0.2
242.02231	4.6
243.03011	26.0
244.03380	1.3
255.02995	1.5
256.03625	0.2
257.01828	0.3
257.04602	7.2
258.05023	0.3
259.02573	1.7
268.03812	3.5
269.04602	16.4
270.01761	6.5
270.04938	2.0
271.02530	29.2
272.02875	1.6
284.03360	0.5
285.04117	14.7
286.04819	5.4
287.02103	3.6
287.05374	0.5
288.02585	0.3
298.01355	0.3
298.04608	0.2
299.02051	8.5
300.02774	4.8
301.03369	0.5
313.03589	0.5
314.04391	52.0
315.01517	6.4
315.05081	11.6
316.02231	2.5
316.05569	0.5
329.03036	0.2
329.06805	0.3
330.03885	10.1
331.04645	7.6
332.04990	0.4
342.03946	0.2
357.06177	1.2
431.10092	0.2
477.10477	100.0
478.10873	7.9
489.10498	0.3
538.43335	0.1
577.15765	8.6
578.16138	1.5
579.16492	0.5
580.16797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	1.4
74.35357	0.2
75.00768	0.4
80.56614	0.2
83.01292	0.7
83.04964	0.2
85.02843	2.9
87.00788	0.5
89.02339	1.7
93.03356	0.2
95.01328	0.6
99.00822	0.7
101.02348	4.4
107.01313	1.3
109.14990	0.2
113.02355	2.6
117.03393	1.9
119.03426	0.8
120.06793	0.2
143.03456	0.4
148.01595	0.2
149.02368	1.0
151.00296	1.3
154.69217	0.2
159.04468	0.5
161.02419	0.7
161.04472	2.2
165.05472	0.2
169.06555	0.4
171.04437	0.5
179.05385	0.2
181.06526	0.4
183.04454	0.7
195.04492	0.2
196.05197	0.3
197.06102	0.5
199.04027	0.2
201.05632	0.6
211.03992	0.4
212.04799	0.4
223.04030	0.2
225.05620	1.1
227.03305	0.5
239.03554	0.8
240.04407	1.2
268.01581	0.3
268.03812	19.4
269.04605	100.0
270.04959	5.3
270.07660	0.4
293.04764	0.4
311.05731	0.6
353.69391	0.2
369.19156	1.0
387.20334	6.1
413.08951	0.9
429.21390	18.2
430.21530	1.1
431.09772	0.3
472.21088	0.3
473.21255	0.4
577.15747	74.0
578.16064	7.4
579.16333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02876	0.2
79.81760	0.1
82.69621	0.1
83.01266	0.3
85.02857	0.3
89.02341	0.2
98.19803	0.3
101.02361	0.3
101.86024	0.2
107.01313	1.0
113.02357	0.4
117.03412	0.4
122.79935	0.1
125.02316	0.9
135.00786	0.2
137.02478	0.2
147.04579	0.2
149.02412	0.3
151.00307	3.3
152.01019	0.2
153.01877	0.6
159.04453	0.3
161.02400	0.2
163.00270	0.6
164.01161	0.2
165.01888	0.2
165.08267	0.2
169.01369	0.6
171.04408	0.4
175.03949	0.2
178.99835	1.1
183.04503	0.3
187.03931	0.4
189.01935	0.2
191.03426	0.1
199.03992	2.4
201.01857	0.9
203.03554	0.9
204.04219	0.5
205.05048	0.2
211.04004	0.2
215.03500	2.7
216.04208	0.3
217.01299	0.2
225.01956	0.4
225.05585	0.2
226.02696	0.2
227.03506	2.3
228.04013	0.2
229.01416	0.4
231.02956	0.5
239.03429	0.2
241.01439	0.2
242.02231	4.6
243.03011	26.0
244.03380	1.3
255.02995	1.5
256.03625	0.2
257.01828	0.3
257.04602	7.2
258.05023	0.3
259.02573	1.7
268.03812	3.5
269.04602	16.4
270.01761	6.5
270.04938	2.0
271.02530	29.2
272.02875	1.6
284.03360	0.5
285.04117	14.7
286.04819	5.4
287.02103	3.6
287.05374	0.5
288.02585	0.3
298.01355	0.3
298.04608	0.2
299.02051	8.5
300.02774	4.8
301.03369	0.5
313.03589	0.5
314.04391	52.0
315.01517	6.4
315.05081	11.6
316.02231	2.5
316.05569	0.5
329.03036	0.2
329.06805	0.3
330.03885	10.1
331.04645	7.6
332.04990	0.4
342.03946	0.2
357.06177	1.2
431.10092	0.2
477.10477	100.0
478.10873	7.9
489.10498	0.3
538.43335	0.1
577.15765	8.6
578.16138	1.5
579.16492	0.5
580.16797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01280	0.6
91.01770	0.2
93.03399	0.1
95.01291	0.2
97.42198	0.1
98.19864	0.3
107.01293	2.7
108.02084	0.9
109.02859	1.8
117.03363	0.1
119.01300	0.2
121.02865	2.2
125.02444	0.1
135.00821	0.6
139.03914	0.2
147.00757	0.3
148.01593	0.8
149.02353	0.5
151.00307	10.5
152.00775	0.1
153.01894	0.2
159.04463	0.4
161.02354	0.2
161.59084	0.1
163.00320	2.8
164.01173	0.6
165.01883	0.1
167.04936	0.2
169.01387	0.8
171.04457	0.3
173.06026	0.2
175.03970	0.3
178.99821	5.3
183.04517	0.5
185.06039	0.2
187.04002	0.5
189.05399	0.2
190.99864	0.5
192.00621	0.2
193.01408	0.2
198.03081	0.2
199.03954	0.5
200.04524	0.1
201.02017	0.2
201.05508	0.6
203.03450	0.2
211.03992	1.3
213.01976	0.2
213.05577	0.1
214.02628	0.2
215.03487	0.5
216.04332	0.3
217.04901	0.2
226.02757	0.9
227.03500	5.2
227.42545	0.1
228.04092	0.4
229.05026	1.0
239.03609	0.5
240.04219	0.1
243.03015	5.3
244.03545	0.4
245.04550	1.9
254.02228	1.4
255.03023	21.0
256.03467	1.5
257.04590	0.4
268.03842	0.7
269.04599	3.0
270.04861	0.2
271.02527	34.1
272.02972	2.6
273.04095	1.2
283.02563	2.0
284.03333	4.8
285.04010	1.4
299.02042	1.4
300.02805	68.3
301.03558	48.6
302.03934	2.3
396.82083	0.1
423.35709	0.1
446.08362	0.2
447.09396	100.0
448.09711	6.4
577.15692	1.4
578.15680	0.3
973.38397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99197	0.7
73.02837	3.5
74.85159	0.3
76.54617	0.3
83.01266	1.5
85.02847	2.8
87.00765	0.4
89.02335	1.8
95.01257	0.4
97.02853	1.1
99.00793	0.4
99.91912	0.3
101.02347	4.8
103.03934	0.3
107.04932	0.5
108.05717	0.5
109.06516	0.5
113.02362	3.9
113.03099	0.5
113.05967	0.7
117.03371	4.9
122.03587	0.3
123.08074	1.1
125.02367	0.6
125.05974	0.6
127.27172	0.3
131.01314	0.9
131.03476	0.4
134.01671	0.3
136.05209	1.2
137.05983	0.3
138.06790	5.1
139.07635	1.7
143.03412	0.5
149.04439	0.5
149.06039	0.3
151.07593	4.8
152.04720	1.0
152.08376	7.8
153.09154	30.9
154.09526	1.1
161.02354	0.6
161.04523	2.4
163.03932	0.6
163.11147	0.5
165.09100	0.9
167.07031	0.7
173.02406	3.0
175.00333	5.4
185.02444	0.5
190.09969	0.6
203.05600	1.4
205.12326	11.1
206.12746	0.4
221.06526	0.8
223.13390	13.0
224.13855	0.5
249.05580	0.8
265.05164	0.6
268.03860	0.4
269.04568	2.3
281.04602	2.2
282.05374	2.0
283.06198	5.2
293.04626	93.1
294.04984	5.3
295.06091	1.4
309.04456	0.4
310.04590	0.3
311.05667	10.6
312.05826	0.5
314.04364	1.1
323.05688	2.6
335.05637	1.3
337.07510	0.4
341.06628	1.9
353.06747	0.7
367.17688	16.7
368.17899	1.0
385.18756	3.2
413.08850	20.0
414.09268	1.8
427.19800	32.7
428.20038	2.4
457.11310	1.7
471.18802	0.6
496.72507	0.3
499.03098	0.3
577.15735	100.0
578.16077	10.5
719.74298	0.3
762.29987	0.4
902.97937	0.3
914.19318	0.4
990.16016	0.4
1009.61047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	4.9
71.52215	0.2
71.52555	0.2
72.99205	0.3
73.02839	0.6
83.01273	0.7
85.02855	1.4
87.00776	1.1
89.02334	3.1
90.31116	0.2
91.05415	0.3
95.01295	0.2
95.04940	0.3
97.02866	0.6
99.00801	0.2
101.02351	3.4
103.05445	0.2
105.03391	0.3
109.02856	0.3
119.03446	0.5
119.04940	0.4
122.03658	0.2
125.02374	0.6
129.03380	0.4
130.04211	0.3
135.04443	0.7
143.03468	0.3
143.04974	0.6
145.06534	1.2
146.03680	1.9
147.04462	12.6
148.05257	3.9
149.05977	0.5
155.04961	0.5
158.03700	0.6
159.04463	16.6
160.05229	1.7
161.02385	0.6
161.04578	0.6
161.06024	7.3
162.06526	0.3
171.04514	0.2
172.05261	4.8
173.06041	29.5
174.03177	2.7
174.06755	3.1
175.03966	4.7
175.07503	0.3
176.04669	0.7
179.05579	0.8
183.04510	0.3
183.13902	1.0
185.06055	2.9
186.03191	0.3
186.06845	1.9
187.03996	5.3
187.07610	7.8
188.04707	0.7
188.08366	1.5
189.05548	16.1
190.05891	0.8
193.12381	0.2
197.06145	0.7
198.06863	0.5
199.07654	1.1
200.04762	0.4
200.08447	1.0
201.05563	7.3
201.09142	0.9
202.06042	0.5
203.07141	0.4
204.04355	0.3
211.07678	0.3
211.13397	10.3
212.08379	0.3
212.13686	0.5
213.05547	0.2
213.09125	0.3
214.06361	0.3
215.07152	3.4
215.10725	0.3
216.07925	32.1
217.08287	1.6
218.05855	0.6
221.06686	2.1
225.09239	0.2
228.11603	0.2
229.08682	0.3
229.12285	0.5
231.13947	0.6
240.11368	0.2
241.12428	0.6
243.13910	0.6
245.11786	0.2
253.15909	0.3
255.14015	0.9
256.14777	0.5
257.11761	0.2
257.15634	1.1
267.13971	0.5
268.10812	0.2
269.15472	0.8
271.13480	0.8
271.17090	0.5
272.14041	0.2
275.12979	0.5
277.21786	3.6
278.22150	0.3
283.13474	1.8
285.15036	3.8
286.15427	0.3
289.14502	0.5
290.15204	0.2
295.17044	0.4
297.15027	15.2
298.15338	1.0
299.12936	0.5
299.16342	0.2
300.13730	12.3
301.14233	1.9
311.13199	0.3
311.16589	0.4
312.13702	0.2
313.14676	0.3
313.18149	2.1
315.16101	5.1
316.16449	0.6
317.14005	0.6
318.14783	4.5
319.15295	0.4
323.16595	4.3
324.16800	0.3
330.14871	0.3
331.19244	0.3
339.16306	0.2
341.17651	57.9
342.17999	5.0
359.18716	18.9
360.19095	1.6
397.13501	0.4
415.14795	0.2
415.21213	0.3
433.22394	0.6
577.26599	0.4
675.36078	0.2
693.44843	0.3
739.32098	2.0
757.33051	22.6
758.33405	2.7
833.17627	0.2
837.47882	0.7
951.94855	0.2
996.42749	0.2
1017.54535	100.0
1018.54797	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	1017.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91851	0.6
71.01272	4.2
71.75208	0.2
73.02839	0.6
81.03419	0.2
83.01289	0.4
85.02847	0.9
87.00787	0.9
89.02335	2.3
92.49546	0.2
95.04929	0.3
95.95798	0.2
96.95927	1.4
97.02847	0.3
101.02357	2.5
105.03381	0.3
108.18642	0.2
109.02895	0.4
113.02358	0.9
119.03431	0.4
119.04970	0.4
121.02822	0.2
125.02319	0.6
129.03378	0.2
130.04166	0.4
132.40369	0.2
135.04454	0.7
143.03394	0.3
143.05022	0.3
145.06546	1.3
146.03696	1.3
147.04457	11.4
148.05254	2.1
149.06009	0.4
155.04990	0.5
158.03665	0.7
159.04460	16.3
160.05226	1.6
161.02409	0.2
161.04568	0.5
161.06004	6.3
171.04456	0.4
172.05244	4.5
173.06032	27.7
174.03186	3.0
174.06613	2.2
175.03957	4.9
175.07578	0.4
176.04674	0.6
178.48834	0.2
179.05560	0.3
183.04391	0.5
183.13779	0.5
184.20998	0.2
185.06021	1.7
186.06888	1.3
187.03969	3.5
187.07616	6.9
188.04640	0.4
188.08302	1.1
189.05542	14.5
190.05956	0.9
197.06097	0.4
198.06860	0.4
199.07716	1.1
200.08380	0.5
201.05548	6.3
201.09167	0.7
201.36879	0.2
202.06161	0.3
203.07082	0.3
211.07721	0.3
211.13379	6.1
212.08505	0.4
213.09258	0.4
215.07117	3.1
216.07912	36.1
217.08269	2.6
218.05753	0.3
221.06677	0.7
227.10777	0.4
228.08421	0.2
229.12292	0.5
231.13863	0.2
241.12428	0.5
243.13904	0.3
255.13959	0.6
256.14749	0.4
257.11990	0.3
257.15509	1.1
269.15570	0.3
271.13538	0.8
277.21783	7.2
278.22083	0.5
283.13547	1.3
285.15002	3.7
289.14697	0.2
295.17148	0.3
297.15015	10.2
298.12387	0.2
298.15399	1.0
299.12994	1.0
299.16351	0.3
300.13739	12.3
301.14151	1.4
311.12915	0.2
312.13696	0.6
313.18033	1.6
315.16083	2.4
318.14792	2.4
323.16550	2.5
341.17633	64.2
342.17944	5.1
359.18671	9.1
360.18918	0.7
397.13644	0.7
577.27130	0.3
739.32037	1.8
757.32965	11.7
758.33478	1.7
837.48315	0.7
1017.54523	100.0
1018.54755	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	1011.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94203	0.2
70.94558	0.3
83.01290	0.3
85.02848	0.2
89.02343	0.2
93.03368	0.3
96.95903	0.1
101.02361	0.1
107.01264	0.7
108.02077	0.1
109.02905	0.1
113.02371	0.2
114.67141	0.1
117.03391	0.5
117.84608	0.1
119.04958	0.1
121.02837	0.2
121.55293	0.1
125.02339	0.6
132.02043	0.2
135.00725	0.3
137.02399	0.2
143.04994	0.1
145.03017	0.1
146.03847	0.1
149.02382	0.2
150.03111	0.2
151.00311	1.7
153.01900	0.3
159.04449	0.3
161.02562	0.1
163.00345	0.4
163.98912	0.1
165.01927	0.2
166.02647	0.1
169.01381	0.4
171.04427	0.2
174.03133	0.4
175.03926	0.4
178.99815	0.4
182.03705	0.2
183.04457	0.5
185.06007	0.3
187.03987	0.4
189.05508	0.2
195.04478	0.2
196.05060	0.1
197.06136	0.3
199.03912	0.3
200.04807	0.2
201.05527	0.2
211.04028	0.8
213.05542	0.2
225.05516	0.3
227.03497	33.3
228.03865	2.2
229.05083	1.5
239.03482	0.3
240.04204	0.2
241.05067	0.4
243.02954	0.3
255.03021	47.3
256.03625	6.3
257.04541	0.9
267.02969	0.2
268.03833	2.1
269.04596	12.9
270.04916	0.9
283.02542	0.2
283.05984	0.2
284.03317	58.4
285.04016	20.7
286.04385	1.1
299.05618	0.2
327.05133	1.6
337.45013	0.1
447.09396	100.0
448.09732	10.1
563.14166	6.1
564.14496	0.8
733.20831	0.1
1011.34460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	19.7
69.07056	2.7
70.87577	3.5
70.87923	1.3
71.01340	1.3
71.04978	2.6
73.02912	17.1
75.04469	1.5
79.05496	16.9
81.03419	18.5
81.07054	26.4
83.04977	3.1
83.08621	3.2
84.11192	1.3
85.02901	100.0
87.04452	1.5
89.72182	1.2
91.03951	59.1
91.05479	13.7
93.07048	16.7
95.04960	4.6
95.08606	19.2
97.02887	69.5
97.06543	1.4
99.04446	11.1
101.02360	4.3
102.52608	1.3
103.03933	9.8
105.07025	9.4
107.04906	1.4
107.08591	10.9
109.02883	10.4
109.10146	8.6
111.04449	4.3
115.03928	6.0
117.05478	1.6
117.07016	2.7
119.08572	8.7
121.10125	11.8
123.11695	4.6
127.03912	45.6
129.05473	4.7
129.06969	2.6
131.08563	7.3
133.10139	7.1
135.11670	6.4
137.09546	1.6
137.13210	1.9
143.08496	2.1
145.04951	49.0
145.10103	6.8
147.10628	1.5
147.11612	6.2
149.13274	4.0
155.07045	2.2
157.10114	2.0
159.06566	1.6
159.11699	5.5
161.13222	2.9
163.06007	55.5
163.14803	3.2
171.06509	1.7
171.11700	2.7
173.04494	3.2
173.11801	1.6
173.13248	4.7
175.14804	2.3
183.06589	9.7
185.13205	3.2
187.14819	2.6
195.11713	1.4
201.07596	5.7
204.08612	2.1
205.96423	1.3
209.13420	1.4
243.21011	7.2
251.12807	1.6
257.18924	1.4
259.20447	2.9
261.22144	18.8
273.21970	1.6
285.22031	2.0
297.22113	1.5
298.87665	1.3
301.21643	1.5
303.23227	4.1
315.23181	1.9
317.24619	1.6
325.11426	1.6
327.23071	4.3
335.25800	50.8
336.26117	2.3
341.24905	2.8
345.24222	2.3
351.22806	3.3
353.26712	4.2
362.42691	1.8
363.25284	3.1
369.24265	6.3
377.26898	8.8
387.25223	3.3
389.26715	1.5
401.26193	1.4
405.26266	4.5
419.27817	2.4
431.27832	2.6
443.27875	11.9
461.29004	13.1
479.30048	21.0
480.30267	2.4
497.31039	9.0
827.58978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.8
69.07069	9.4
69.51514	8.6
71.04986	2.7
73.02917	1.9
78.11948	0.9
79.05490	35.9
79.42174	0.9
81.03409	2.0
81.07055	49.6
83.04965	2.7
83.08624	7.9
85.02896	8.9
85.06542	3.3
90.57862	0.9
91.03933	5.1
91.04899	1.1
91.05481	29.5
93.07044	48.0
95.04963	4.7
95.08604	40.3
95.09225	1.4
97.02911	5.6
97.06524	2.4
97.10152	3.2
98.21564	1.6
99.08074	2.4
105.07028	29.5
107.08591	28.5
109.06547	2.3
109.10156	17.1
111.04382	1.2
111.08057	2.0
117.07007	10.4
119.07787	1.5
119.08583	24.4
121.10140	19.0
123.08041	3.2
123.11704	4.0
124.57118	1.1
127.03927	2.1
129.07008	3.2
131.08566	18.6
133.10127	17.4
135.11699	14.4
137.09639	1.7
137.13286	1.3
139.11240	1.2
139.82678	0.9
143.08589	5.7
145.04947	1.9
145.06334	1.0
145.10120	14.9
147.11670	14.1
149.09686	1.5
149.13266	9.3
151.11220	1.2
153.09106	1.0
155.08553	1.8
157.10175	3.0
159.11687	11.9
161.09824	1.1
161.13232	7.6
163.05992	2.5
163.11147	2.6
163.14783	3.2
171.11708	3.9
173.13229	5.5
175.14825	4.2
183.11745	1.4
185.13248	5.3
187.14856	6.3
197.13336	1.1
199.14818	2.3
199.44032	1.0
201.16451	2.0
205.15871	2.3
213.16451	1.8
217.15839	1.4
221.18866	1.2
239.18018	1.4
241.19566	6.0
243.21150	1.7
257.18933	2.5
259.20566	18.8
261.22147	7.6
277.21591	16.5
293.21100	2.0
305.21283	1.3
315.23093	2.2
317.24579	2.0
333.24255	17.8
335.25790	100.0
336.25998	2.3
337.27164	2.5
351.25278	34.2
519.42041	1.3
529.38684	4.0
553.42389	1.6
557.42053	1.2
571.43384	2.5
593.45642	3.7
611.46698	55.9
612.46686	1.9
629.47974	1.6
633.23199	1.1
737.49463	1.5
970.57086	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	956.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	0.8
67.05499	11.4
69.03407	1.0
69.07066	2.7
70.26340	0.9
70.26735	1.2
71.01316	0.4
71.04974	1.2
76.69827	0.4
77.03907	0.4
77.16390	0.5
79.05484	7.7
81.03410	1.3
81.07050	9.1
83.04961	1.8
83.08614	2.8
85.06522	0.8
91.05469	5.6
93.07032	3.8
95.04982	2.9
95.08602	5.6
97.06513	0.9
97.10173	2.9
103.05443	1.9
105.07003	4.0
107.04946	0.9
107.08586	3.2
109.06479	0.5
109.10139	2.6
115.05438	3.1
117.07004	4.8
119.08541	1.9
121.06513	0.7
121.10123	1.4
123.04424	9.5
123.08080	0.7
125.09587	1.7
128.06215	2.1
129.07018	4.3
131.04926	4.8
131.08551	2.6
131.60075	0.4
133.06477	1.3
133.10129	1.1
135.04491	0.5
135.11696	1.4
137.05948	1.2
141.06972	5.5
142.07744	1.1
143.04900	2.7
143.08536	2.9
144.05717	1.3
145.06470	6.2
145.10094	1.5
147.04396	1.7
147.08080	0.7
147.11687	1.2
149.05974	5.6
149.09686	0.5
152.06181	5.3
153.06978	7.7
154.07793	2.3
155.04883	0.7
155.07361	0.7
155.08548	10.4
156.05714	0.5
157.04350	0.5
157.06477	7.3
157.10112	2.0
158.07211	0.4
159.08057	2.3
160.05214	2.5
161.05974	17.3
163.03888	0.8
163.07541	8.0
163.11128	0.5
165.05580	0.7
165.06966	9.5
166.07745	2.5
167.08554	25.6
168.05655	1.0
168.09328	0.7
169.06483	6.4
169.10124	4.5
170.07260	1.4
171.04431	1.0
171.08038	5.6
171.11705	0.6
172.05171	4.6
173.05969	36.9
174.06676	2.3
175.07568	7.0
177.05495	1.3
177.06975	0.7
177.09093	0.5
178.07738	2.1
179.08548	7.3
180.09297	0.5
181.06470	19.7
181.10054	3.8
182.07266	5.2
183.08041	16.3
183.11620	0.6
184.05109	0.6
184.08537	0.6
185.05939	6.2
185.09534	3.4
186.06740	3.4
187.07530	17.0
188.08168	0.9
189.05527	2.2
189.09093	4.8
191.08508	3.1
193.06419	2.0
193.10109	3.2
193.12074	0.9
194.07277	6.6
195.08041	100.0
196.08591	2.4
197.06015	2.7
197.09605	27.0
198.06772	3.7
199.07518	19.6
199.11165	1.0
200.08310	3.1
201.09091	15.5
203.06831	0.8
203.08534	1.2
203.10614	1.4
204.09370	0.7
205.10161	3.2
206.07228	0.9
207.08058	6.1
207.11719	1.5
208.08858	1.9
209.09598	9.9
209.13171	0.9
210.06738	1.1
210.10405	0.9
211.07515	10.7
211.09460	0.6
211.10995	2.4
212.08218	1.8
213.09084	55.9
214.09534	1.0
215.06891	0.8
215.10625	4.9
217.08577	1.2
217.10344	0.5
219.08136	2.9
219.11703	2.1
219.24600	0.4
220.08806	2.1
221.09583	11.5
222.10272	1.1
223.07614	3.3
223.11140	7.4
223.14703	0.5
224.08142	0.7
225.09068	3.6
225.12743	0.5
226.09901	0.5
227.07030	0.6
227.10614	4.2
228.11154	0.6
229.08560	1.5
229.12192	1.0
232.08777	0.8
233.09628	4.6
234.10379	1.1
235.11134	5.6
235.14822	0.5
237.09053	2.3
237.12683	2.2
237.16336	1.0
238.09872	0.9
238.13776	0.5
239.10646	4.1
240.11385	0.5
241.12224	1.1
247.11163	4.0
248.11909	1.4
249.09079	0.7
249.12766	1.9
249.16473	0.8
251.10753	2.8
251.14258	1.3
251.18040	0.8
253.12202	1.5
253.15813	0.5
255.13776	0.7
256.14600	4.6
259.11237	1.0
259.14667	0.5
260.12042	0.7
261.12692	2.0
261.16394	1.5
263.14267	1.4
264.11237	0.5
265.12222	1.1
266.13007	1.0
267.13782	0.8
269.15421	1.1
274.13501	0.8
277.12906	0.7
277.15796	4.6
279.14270	0.5
279.17422	12.0
281.15219	1.2
281.18939	0.5
283.13220	0.8
284.14069	6.5
285.14804	0.9
287.16498	1.2
289.15854	7.7
291.17432	3.6
293.15787	0.6
293.18936	1.2
295.16940	5.0
297.18286	2.3
299.16382	3.2
302.15012	0.8
303.17682	0.6
305.15414	2.3
307.16898	51.8
308.17303	1.4
309.18448	6.4
313.17886	1.0
315.19772	0.7
321.18405	2.3
322.15643	0.7
323.16437	15.5
323.19855	0.9
324.17133	1.4
325.17960	44.8
326.18365	1.2
327.19562	0.7
329.18066	0.5
333.18460	2.6
335.19962	1.8
337.17932	2.0
339.19467	1.6
340.16721	1.7
341.17474	8.4
343.19055	12.6
345.18451	3.7
347.20093	2.9
349.17917	0.7
351.19604	2.2
353.21155	0.8
355.18945	1.1
358.17599	0.7
359.18222	1.1
361.19388	0.8
363.19522	11.8
364.20132	0.6
365.21259	2.9
373.20026	0.5
379.19016	1.6
381.20609	15.4
383.22083	3.2
393.19965	0.6
397.20032	7.7
399.21646	36.9
400.21890	1.5
401.23218	0.7
415.21097	5.0
417.22690	33.3
418.22968	1.4
475.53897	0.5
585.33820	0.9
593.83093	0.5
603.34863	0.6
605.32483	0.5
613.32867	3.6
631.34137	4.6
649.35559	2.1
664.33643	0.6
667.36035	0.8
682.34686	1.6
687.36298	1.5
700.36127	0.8
705.37726	5.2
723.26721	0.6
723.38739	9.1
724.39087	0.9
741.39856	7.3
742.40143	0.7
759.40961	8.1
777.41180	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	42.9
69.03427	1.9
69.07069	10.8
70.44812	2.3
71.04973	1.6
73.02895	2.7
77.03893	0.6
79.05488	26.4
81.03395	0.8
81.07055	44.2
83.04971	1.3
83.08622	5.3
84.80416	0.6
85.02900	14.5
85.06531	1.6
91.03950	8.0
91.04893	0.6
91.05474	18.8
93.07040	33.8
95.04955	3.9
95.08603	34.1
97.02884	7.7
97.06517	1.8
97.10149	1.7
99.04378	0.7
105.07031	14.4
107.07859	1.0
107.08588	20.4
107.09290	1.3
109.06474	1.4
109.10149	16.6
111.08118	1.5
115.03973	0.6
115.05477	0.6
117.05440	0.6
117.07006	7.0
119.08575	13.1
121.10137	16.3
123.08105	0.8
123.11712	7.1
125.09647	0.7
127.03911	4.2
129.07014	0.9
131.08563	8.8
133.10129	11.2
135.11676	10.3
137.09627	1.0
137.13269	2.3
143.08553	1.4
145.04944	5.0
145.10143	7.4
147.11684	8.3
149.13234	7.5
151.14801	1.6
157.10101	1.5
159.11685	6.8
161.13260	7.4
163.06018	7.4
163.14819	3.6
165.12682	0.9
169.09921	0.9
171.11713	2.3
173.13254	5.8
175.14789	3.6
177.16426	1.7
185.13333	1.8
187.14789	2.9
189.16396	1.2
191.14378	0.7
199.14871	1.3
201.16362	1.5
203.17928	0.7
207.53349	0.6
213.16364	1.0
215.17926	0.9
227.17967	0.8
231.21075	1.0
233.22670	0.7
240.08105	0.6
241.19591	3.4
243.21071	5.3
257.19049	0.9
259.20554	7.7
261.22134	16.1
263.23700	2.1
277.21570	1.1
281.21021	0.8
313.25299	1.0
315.23294	0.7
317.24707	2.7
333.24271	8.8
335.25787	100.0
336.26190	1.5
337.27319	13.4
355.30136	0.7
373.00165	0.6
383.57364	0.7
451.35907	0.7
467.35364	0.7
483.25784	0.7
489.35760	0.7
503.42889	1.2
517.38794	0.9
521.43152	3.1
529.38953	0.8
539.44794	1.3
543.39899	0.8
595.47107	18.7
613.48248	28.3
777.09930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.7
67.05502	53.3
69.03426	3.9
69.06728	1.0
69.07063	13.4
69.54498	1.9
69.54917	3.6
71.04978	3.7
71.08599	1.1
73.02880	2.2
79.05491	37.5
80.65973	0.7
81.03414	73.4
81.07052	58.2
81.42258	0.6
83.04980	5.7
83.08616	21.2
85.02900	8.5
85.06511	2.7
85.10156	0.8
91.03945	6.0
91.05476	31.0
93.07038	47.5
95.04372	1.4
95.04967	25.7
95.08601	41.5
97.02889	6.1
97.06536	4.4
97.10165	7.0
98.20704	0.9
99.04403	1.1
99.08033	1.5
105.07026	24.8
107.04940	6.4
107.08588	26.2
109.02795	0.8
109.06499	4.7
109.10146	20.2
111.04416	1.5
111.07487	0.6
111.08080	6.3
113.05984	0.9
115.05397	1.5
116.06210	0.7
117.07001	7.7
119.04942	1.3
119.08577	25.3
121.06498	5.2
121.10139	24.9
123.04411	1.5
123.08036	2.2
123.11710	6.4
125.09612	4.8
127.03880	2.1
129.07005	10.7
131.08565	19.6
133.06476	4.3
133.09111	0.9
133.10126	15.2
135.08011	2.4
135.11696	13.4
137.05946	1.1
137.09550	1.9
137.13216	1.9
141.06940	1.0
142.07745	2.6
143.08513	2.5
145.04936	2.3
145.10130	11.2
147.04370	1.5
147.08055	3.6
147.10504	0.8
147.11687	14.6
149.09622	5.1
149.13245	5.6
151.11159	1.2
155.08578	1.2
157.10132	11.0
159.08055	1.1
159.11687	8.0
161.06001	0.9
161.13239	4.4
163.06024	4.3
163.11162	2.7
163.14771	2.8
165.12741	1.9
169.10161	1.4
171.10182	0.7
171.11646	2.4
173.09645	1.3
173.11913	0.7
173.13225	4.5
175.11172	8.9
175.14801	2.7
177.12694	1.3
177.16356	1.2
179.14369	1.0
181.10173	0.8
183.11658	1.2
185.13235	2.2
187.13306	0.7
187.14806	3.4
189.11194	3.2
193.12236	20.0
195.11731	0.8
195.13889	0.7
197.13269	1.0
199.14841	1.3
201.16386	1.0
205.12271	1.2
207.13737	1.2
209.13274	0.9
211.13206	1.5
219.17346	0.7
224.31081	0.7
227.12738	7.8
229.12263	0.8
235.13304	3.7
243.21120	5.9
249.14848	2.3
259.13263	2.0
261.22125	24.1
267.15903	90.5
273.14960	1.6
275.20062	1.0
279.23120	1.6
283.24301	0.8
285.22061	1.4
301.14322	3.1
301.22006	1.1
301.25183	6.7
303.23181	1.1
309.17050	4.2
313.27405	5.1
317.24811	3.3
319.15555	1.2
333.24551	1.0
335.25781	100.0
336.26096	1.8
337.15778	0.7
357.28198	1.0
359.25836	1.4
403.24808	1.1
407.24420	1.1
417.31439	0.8
421.25757	3.7
435.27313	3.1
435.32632	3.6
436.28311	1.9
449.29117	1.2
453.33545	9.4
454.28812	0.9
465.13605	0.7
471.34726	5.6
473.33591	0.9
475.30460	1.9
491.35187	1.2
509.36285	2.3
527.37311	78.6
528.37683	1.9
545.38342	93.0
546.38800	2.3
559.39691	4.3
563.13702	0.8
569.38318	13.7
577.40381	1.3
587.39172	2.5
593.38013	1.2
611.39349	2.6
623.39233	4.5
635.39679	5.0
653.40552	3.5
671.41431	4.2
673.34210	0.7
854.49323	0.7
933.20465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	10.2
69.07076	3.3
71.08630	6.6
71.60078	0.7
73.02904	0.9
75.58938	0.5
79.05490	4.7
81.07053	12.9
83.08610	3.3
85.02896	6.9
85.10181	5.1
91.03951	4.9
91.05479	2.9
93.07037	7.4
94.07277	0.6
95.08604	13.3
95.93430	0.5
97.02891	3.6
97.06538	0.7
97.10173	2.8
99.04450	1.0
104.99290	1.0
105.07030	2.1
107.08586	4.5
109.10137	6.4
111.08015	0.6
117.05438	0.6
117.07013	1.1
119.08583	2.4
121.10128	4.7
123.11699	3.1
127.03890	3.4
131.08556	1.8
133.10120	1.6
135.11667	4.0
137.13237	1.9
145.04955	4.5
145.10141	1.8
147.11697	1.6
149.13240	2.8
159.11716	1.5
161.13252	2.0
163.06003	6.1
163.14807	2.0
165.12805	0.7
173.13231	2.2
177.16437	0.8
187.14807	1.2
201.16341	0.7
233.22577	0.8
239.23708	2.7
243.21021	6.4
257.24667	1.3
261.22134	24.7
291.22885	0.9
299.23685	1.1
313.27344	100.0
314.27673	1.1
317.24738	4.3
335.25781	69.4
336.25934	0.9
446.68893	0.6
499.44940	2.0
501.07410	0.7
573.48755	42.7
574.48877	1.1
591.40906	1.1
591.49780	13.7
594.07007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.3
67.05499	65.5
69.03439	5.0
69.07064	15.9
70.34531	5.5
70.34943	4.4
71.04978	7.9
73.02921	5.0
77.03954	1.8
79.05485	66.2
81.03411	61.1
81.07050	75.9
83.04977	19.3
83.08610	31.4
85.02899	41.1
85.06527	7.1
87.04465	2.5
91.03963	9.9
91.05473	67.7
93.07035	74.5
95.04956	38.3
95.08601	50.4
95.09169	1.5
97.02877	13.5
97.06515	10.8
97.10149	12.2
99.08105	6.2
105.07023	57.9
107.04950	8.5
107.07872	2.2
107.08587	42.7
109.02875	2.3
109.06516	9.4
109.10137	20.3
111.04474	2.3
111.08069	13.4
112.07568	2.0
113.06020	3.6
115.05450	2.8
117.07012	15.2
119.08570	58.9
121.06480	5.0
121.10135	39.7
123.08087	4.6
123.11711	8.4
125.09640	3.6
127.03889	4.7
128.06142	2.2
129.05441	2.3
129.06990	19.0
131.08553	34.7
133.06487	2.8
133.10118	43.1
135.11685	19.3
137.09598	4.6
141.06950	2.4
142.07780	3.1
143.08545	10.4
145.10104	26.6
147.08034	3.1
147.11676	48.2
149.09610	11.6
149.13261	10.3
151.11203	2.8
157.10114	27.3
159.11684	16.0
161.09573	2.1
161.13248	15.3
163.06068	3.9
163.11205	5.9
163.14799	3.3
165.12764	6.3
167.08441	2.0
169.10101	2.2
169.81232	2.3
171.11702	10.4
173.13237	7.8
175.11159	17.4
175.14853	7.3
177.12772	4.4
181.10188	2.2
185.13246	7.6
187.14809	12.9
193.12236	45.2
199.14841	5.1
205.15932	5.5
211.13277	64.3
211.15273	4.6
227.12733	3.4
229.14441	3.1
231.21078	5.0
241.19484	14.7
246.05688	2.2
259.20535	47.5
267.15900	37.2
269.17484	4.0
271.06073	4.7
275.20001	3.7
277.21649	29.6
285.16916	87.2
289.21307	2.8
293.21082	6.0
301.21658	3.2
315.23166	2.8
333.24200	29.9
351.25256	58.3
421.25421	2.8
439.26917	2.6
451.31799	4.0
463.30664	2.7
469.33173	2.7
479.29767	4.9
485.32553	4.4
503.33469	7.0
512.77472	2.5
515.37494	2.6
525.35925	14.5
543.36798	68.0
561.37811	100.0
687.40649	4.2
705.42096	5.6
723.42615	4.4
767.55145	2.1
771.70996	2.5
838.60303	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.3
67.05498	60.4
69.03406	4.6
69.07064	15.3
70.77889	1.1
70.78207	1.9
71.04975	4.4
73.02907	3.0
79.05486	38.9
81.03410	73.5
81.07048	57.5
83.04976	6.2
83.08600	20.1
85.02878	9.5
85.06519	1.7
91.03957	6.4
91.05470	31.3
93.07034	45.3
94.07355	1.6
95.04957	27.1
95.08598	45.3
96.08887	1.3
97.02861	5.9
97.06538	4.8
97.10170	10.0
99.04462	1.8
99.08101	2.0
103.05465	1.2
105.04557	1.2
105.07021	23.9
107.04936	6.8
107.08584	28.6
109.02891	1.6
109.06539	5.3
109.10142	20.4
111.04437	2.6
111.08036	6.4
115.05449	2.6
117.07008	8.5
119.07774	2.2
119.08567	24.2
121.06485	4.4
121.10128	24.2
123.04422	2.3
123.08021	3.9
123.10887	1.2
123.11658	6.8
125.09590	5.7
127.03902	2.5
129.06999	9.6
131.07588	1.3
131.08560	22.3
133.06461	4.0
133.10103	15.0
135.08083	2.2
135.11674	14.9
137.09619	2.4
137.13254	1.5
142.07761	2.3
143.08542	3.7
145.04906	3.2
145.06491	1.4
145.10092	12.5
147.04323	2.3
147.08044	3.9
147.11664	15.6
149.09630	5.2
149.13223	6.4
155.08583	2.6
157.10104	12.8
159.11670	7.9
161.13232	5.8
163.06009	5.3
163.11139	4.2
163.14812	4.4
165.12730	2.7
169.10036	1.4
171.11496	2.8
173.09717	1.2
173.11859	1.1
173.13174	6.3
175.11195	9.2
175.14835	2.7
183.11652	1.8
185.13196	1.7
187.11197	1.3
187.14825	4.1
189.11180	2.8
193.12225	21.1
197.13249	1.2
201.16325	1.7
211.13246	1.9
227.12682	5.7
235.13181	2.8
243.21051	4.6
249.14798	1.8
259.13235	2.6
261.22125	22.3
267.15891	87.4
268.16245	1.9
277.21576	1.5
279.23248	2.7
285.16849	1.4
301.14230	2.2
301.25146	5.4
303.23038	1.2
309.16940	5.0
317.24741	2.3
319.15054	1.2
335.25766	100.0
336.26102	3.4
359.25391	1.3
403.25003	1.7
421.25864	3.3
435.27258	2.8
435.32571	4.6
453.33517	8.3
463.29752	1.3
471.34769	4.3
475.29984	1.9
509.36456	2.9
527.37280	75.6
528.37476	5.0
528.44971	1.3
545.38336	82.0
546.39124	6.4
546.46039	1.5
563.39453	3.1
569.38226	11.7
623.39227	3.5
635.39111	3.7
653.39929	4.4
671.40948	4.2
913.39099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85015	0.3
67.05502	2.9
69.03420	2.8
69.07061	0.7
69.31738	3.2
71.05000	0.5
73.02908	3.1
73.61791	0.3
79.05470	1.7
80.30415	0.3
81.03418	1.6
81.07051	3.9
83.08598	0.4
85.02896	5.2
91.03944	3.1
91.05482	1.3
93.07031	1.6
95.08616	1.6
97.02884	4.6
97.03423	0.4
99.04462	0.5
102.91853	0.3
103.03963	0.4
105.07021	1.3
107.08613	1.0
109.02891	0.9
109.10147	0.6
111.04560	0.3
115.03992	0.5
119.08579	1.1
121.10163	1.2
123.11734	0.9
127.03933	1.3
131.08627	0.5
133.03468	0.4
135.11729	0.8
145.05002	0.4
147.11665	2.1
149.13326	0.3
150.29587	0.3
165.12810	0.7
185.04318	1.1
203.05304	1.1
229.14513	0.4
243.08345	1.3
251.11284	0.4
251.12958	0.6
260.82397	0.3
267.15912	0.4
268.16235	0.3
269.12375	2.3
285.17087	0.5
287.13486	0.7
287.69019	0.3
301.20181	0.5
307.15186	0.9
325.15109	0.6
335.25970	0.6
347.09491	2.5
365.10529	1.3
405.13632	3.5
420.20160	0.3
425.21506	0.7
433.88751	0.3
469.20328	11.4
519.29236	3.7
587.26715	0.4
631.25073	9.6
681.34290	2.7
747.42371	2.6
864.07800	0.3
865.49524	0.3
909.48047	100.0
910.48425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03424	3.6
69.07079	0.5
70.28904	0.5
71.01363	0.6
71.04996	0.5
73.02913	3.5
73.03294	0.3
79.05496	1.8
81.03409	2.0
81.07051	3.7
81.07513	0.3
83.08631	0.4
85.02899	6.6
85.06551	0.2
87.04478	0.5
91.03952	4.0
91.04509	0.2
91.05471	1.6
93.07034	2.4
94.41025	0.2
95.04980	0.5
95.08597	2.1
97.02890	6.5
97.03500	0.3
97.06534	0.2
99.04478	0.7
103.03962	0.5
105.07034	1.5
105.07674	0.2
107.08598	1.3
109.02856	1.0
109.10147	0.8
115.03934	0.6
115.86389	0.1
117.07047	0.3
119.08566	1.0
121.10123	1.2
123.11700	0.9
123.93975	0.1
127.03915	2.1
131.08577	0.7
133.03468	0.2
133.10172	0.5
135.11722	0.7
145.05005	0.7
147.11679	1.7
149.13297	0.3
159.11694	0.4
161.13280	0.3
165.12807	0.6
173.13376	0.2
185.04156	0.8
203.05334	1.1
243.08397	1.7
243.14476	0.2
251.12584	0.7
259.08032	0.2
261.22269	0.4
269.12360	1.2
274.13113	0.2
285.17249	0.2
287.13519	0.6
291.15961	0.2
301.20398	0.4
307.15302	0.2
310.15219	0.2
319.21332	0.3
325.15112	0.6
335.25656	0.9
347.09464	2.8
363.09244	0.4
365.10535	1.3
405.13684	4.8
425.21585	0.6
469.20413	6.4
519.29248	6.1
585.37335	0.2
587.27142	0.3
631.25293	3.8
681.34509	6.8
703.43079	0.3
747.42261	3.2
865.48553	0.3
909.48065	100.0
910.48236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.8
67.96564	0.4
69.03430	2.8
69.82838	0.9
69.83245	1.8
71.01357	0.5
73.02911	3.3
79.05495	1.9
81.03413	2.2
81.07050	2.1
83.08630	0.6
85.02901	5.1
91.03947	2.9
91.05489	1.9
93.07046	1.4
95.04947	0.9
95.08604	1.7
97.02898	4.9
101.02398	1.6
105.07040	1.3
107.08595	0.9
109.02861	1.0
109.10172	0.6
111.08134	0.4
119.08648	0.4
121.10155	0.9
127.03945	1.8
135.11758	0.6
145.10217	0.4
185.04211	0.8
193.12292	0.8
211.13287	0.5
243.08531	1.3
251.12646	0.8
307.15131	0.5
335.26102	0.6
347.09702	1.9
363.09036	0.7
365.10803	0.6
376.91333	0.5
405.13577	5.0
469.20294	6.9
469.25964	0.5
519.29218	3.4
631.25586	6.0
681.34326	3.4
747.42847	1.7
909.48096	100.0
910.48627	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.7
67.05827	0.3
69.03425	3.9
69.07067	0.6
70.23602	0.7
71.01348	0.6
71.04997	0.6
72.96976	0.1
73.02911	3.9
73.03295	0.3
79.05493	2.1
81.03413	2.1
81.07049	2.9
83.04977	0.4
83.08632	0.5
85.02899	6.4
87.04486	0.3
91.03949	4.0
91.05463	1.5
93.07047	2.4
95.04979	0.7
95.08599	2.4
97.02882	5.9
97.06532	0.3
98.20750	0.2
99.04453	1.2
103.03947	0.5
105.07035	1.0
107.08599	1.2
109.02851	0.9
109.10141	0.9
110.91038	0.2
111.08081	0.3
113.05949	0.2
114.36702	0.2
115.03947	0.6
117.05550	0.2
117.07005	0.3
119.08584	1.0
121.10127	1.2
123.11715	0.3
127.03905	2.2
131.08583	0.7
133.10135	0.5
135.11731	0.5
145.04982	0.4
145.10155	0.2
147.11737	0.5
149.13327	0.2
157.10098	0.2
159.11813	0.3
175.11298	0.3
185.04187	0.8
193.12262	0.5
201.03688	0.2
203.05350	0.6
211.13324	0.3
243.08414	1.8
251.12729	0.8
259.07806	0.2
269.12402	0.5
271.05936	0.2
276.63120	0.1
285.10144	0.2
289.09430	0.3
290.09973	0.2
301.20084	0.2
305.08759	0.2
307.15204	0.2
335.25806	0.8
338.15488	0.2
347.09439	2.3
363.09116	0.5
365.10468	1.0
405.13647	4.7
464.73026	0.2
465.22852	0.2
465.72415	0.3
469.20438	4.5
469.27054	0.3
491.47791	0.2
519.29260	5.9
547.83063	0.2
631.25586	3.6
681.34467	6.7
747.43201	1.4
909.48077	100.0
910.48389	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.2
67.05502	23.4
68.03900	0.3
69.03414	2.0
69.07063	6.0
71.00956	0.9
71.04984	2.1
73.02870	1.0
77.03883	0.4
79.05491	16.9
81.03415	23.7
81.07053	25.8
83.04976	5.0
83.08617	10.7
85.02902	13.4
85.06490	1.1
87.04427	0.4
91.03956	3.1
91.05476	14.6
93.07040	19.8
95.04964	10.4
95.08601	17.7
97.02374	0.3
97.02880	3.9
97.06508	1.9
97.10165	2.8
99.04409	0.7
99.08054	0.8
105.04456	0.4
105.07024	12.3
107.04958	2.0
107.08588	11.0
109.06536	2.5
109.09468	0.4
109.10152	6.6
111.04407	0.7
111.08066	4.4
113.05972	1.0
115.05396	0.7
117.07031	2.4
119.08579	11.2
121.06460	0.9
121.10136	11.0
123.08041	0.8
123.11688	3.3
125.09567	1.1
127.03881	1.2
129.07011	3.2
131.08566	6.4
133.06490	0.7
133.10126	6.3
135.08063	0.4
135.11690	5.4
137.09564	0.5
137.13197	0.5
142.07756	1.0
145.04886	1.2
145.10112	3.1
147.07971	1.0
147.11679	8.8
149.09618	3.3
149.13246	2.4
157.08928	0.5
157.10123	5.4
159.11711	2.3
161.13167	1.4
163.05992	0.7
163.11131	0.9
163.14775	1.4
165.12752	1.8
173.13272	1.5
175.11172	5.6
175.14763	0.7
185.13095	0.4
187.14801	0.9
189.11252	0.3
193.12239	18.0
201.16322	0.4
211.13274	21.6
222.84001	0.3
227.12749	1.3
228.13226	0.5
229.14235	0.3
233.22449	0.5
243.21057	1.8
251.17476	0.3
261.22125	4.0
267.15903	6.9
279.23380	0.5
283.15497	0.8
285.16956	26.5
317.24771	1.0
335.25787	45.1
336.26160	1.4
346.08023	0.3
355.17429	0.4
357.49744	0.4
429.21310	0.8
435.32614	0.8
453.33551	0.7
460.41342	0.4
471.34650	0.5
509.36301	0.5
527.37250	7.8
544.37103	0.8
545.38342	100.0
546.38525	2.5
563.39594	0.9
689.42236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.2
67.05500	36.7
69.03393	2.0
69.07063	17.6
69.29781	5.8
69.30203	1.5
71.04986	3.0
71.08609	0.6
73.02895	1.7
79.05489	12.3
81.03375	0.9
81.07050	72.9
83.04971	4.6
83.08612	11.0
85.02899	9.4
85.06501	3.0
90.18079	0.6
91.03951	6.3
91.05472	19.1
93.07035	13.4
95.04903	1.9
95.08599	31.3
95.59642	0.7
97.02905	4.7
97.06511	5.1
97.10165	3.7
99.04446	0.9
99.08105	3.7
101.05966	1.7
105.07023	22.7
107.07953	0.9
107.08591	10.8
109.06493	3.7
109.09465	0.8
109.10145	11.8
111.08047	1.6
113.05967	1.4
119.08575	20.7
121.10135	19.1
123.08055	3.6
123.11703	24.2
125.09611	0.9
127.03867	2.3
127.07498	2.8
129.06938	0.7
131.08498	1.3
133.10136	6.0
135.11647	2.8
135.75775	0.6
137.09575	0.7
137.13255	4.1
139.11154	1.1
141.09050	0.8
145.04927	3.0
145.10074	1.4
147.11678	53.4
149.13191	2.2
157.10127	2.0
161.13211	2.4
163.06047	3.0
163.14769	1.6
165.12743	20.4
175.11174	2.0
175.14772	2.1
183.13725	1.7
193.12212	1.0
229.14372	4.0
245.22617	3.1
263.23724	8.8
267.15903	77.4
268.16336	1.0
285.16943	100.0
286.17407	1.4
337.27344	74.4
338.27795	1.1
529.38727	2.1
530.79602	0.8
547.39905	91.6
548.40277	3.1
565.40839	3.5
906.48657	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.0
67.05495	38.3
68.05850	0.5
69.03429	2.3
69.07060	13.7
70.72791	1.9
71.04996	3.3
73.02909	2.9
77.03913	0.5
79.05482	23.9
81.03407	1.0
81.07047	77.8
83.04977	5.1
83.08607	7.5
85.02898	9.6
85.06532	5.1
91.03943	7.5
91.04882	0.7
91.05469	23.3
93.07034	27.0
95.04964	3.1
95.08596	33.3
97.02877	5.1
97.06506	5.0
97.10168	1.7
99.04450	0.8
99.08076	3.2
101.06048	1.2
105.07019	28.7
107.07855	1.0
107.08584	19.4
109.06516	4.3
109.10141	11.6
111.08059	1.5
117.07017	2.8
119.08569	23.0
121.06483	0.5
121.10130	24.1
121.29501	0.4
123.08067	3.6
123.11694	24.8
124.12117	0.5
125.09613	0.6
127.03906	2.1
127.07590	2.7
129.07027	0.9
131.08562	6.2
133.10115	5.3
135.11678	8.4
137.09657	0.6
137.13190	3.1
145.04915	3.2
145.10103	4.2
147.11668	55.6
148.12022	0.7
149.09627	0.8
149.13239	5.0
151.14812	0.8
157.10071	2.9
159.11629	3.1
161.13254	2.1
163.05991	3.7
163.14857	2.4
165.12741	20.9
173.13252	4.0
175.11211	1.9
175.14787	1.2
177.16403	0.8
183.13829	2.1
187.14818	1.4
193.12248	1.5
205.15840	0.6
211.13313	0.7
229.14331	5.8
233.22719	0.7
243.21063	5.9
261.22116	20.8
267.15887	68.5
268.16174	0.7
279.23138	3.5
285.16925	100.0
286.17288	1.0
317.24612	3.8
335.25757	84.4
336.26065	1.6
353.26733	4.2
384.57486	0.5
453.33560	0.9
471.34586	1.8
515.63501	0.5
527.37189	8.4
545.38306	84.1
546.39069	2.4
563.39459	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	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.5
66.34255	0.2
66.96194	0.2
67.05494	37.1
69.03420	2.1
69.07056	12.8
69.07445	0.4
70.08935	0.7
70.09343	0.4
71.04984	2.9
71.08621	0.5
73.02897	2.0
73.06593	0.4
77.03891	0.5
79.05482	22.1
80.06229	0.2
81.03410	1.4
81.07044	66.7
83.04967	3.6
83.08123	0.4
83.08607	7.0
85.02892	8.3
85.06059	0.3
85.06529	3.7
87.04463	0.6
91.03947	5.5
91.05464	19.3
93.07027	25.8
95.04964	3.1
95.08591	30.9
96.04474	0.4
96.08931	0.3
97.02873	4.6
97.06514	4.4
97.10161	1.9
99.04448	0.7
99.08077	2.6
101.06004	0.9
103.05437	0.3
105.04536	0.4
105.07014	24.3
107.04952	0.3
107.08578	18.1
109.02862	0.3
109.06499	3.5
109.10138	11.0
111.08069	1.6
113.05988	0.8
113.09608	0.3
115.03879	0.2
115.05398	0.3
115.07518	0.2
117.06993	2.7
119.08562	20.9
120.08996	0.3
121.10125	20.9
123.08053	3.0
123.11689	19.9
125.09602	0.7
127.03904	1.8
127.07544	2.1
129.05476	0.3
129.06993	0.8
131.08540	5.5
133.10110	5.9
135.08011	0.2
135.11678	7.3
137.09578	0.6
137.13226	2.2
139.11171	0.3
141.09120	0.5
142.07796	0.2
142.23424	0.2
143.08578	0.4
144.06538	0.4
145.04916	2.1
145.10092	3.9
147.11661	42.3
148.12013	0.4
149.09583	0.8
149.13243	4.0
151.11169	0.5
151.14792	0.6
153.12639	0.2
157.10120	1.9
159.11668	2.7
161.13235	2.6
163.05978	2.3
163.11150	0.3
163.14781	2.2
165.12727	16.5
169.10208	0.2
171.11642	0.3
173.13225	2.8
175.11122	1.4
175.14830	0.9
177.12744	0.3
177.16402	0.7
179.14313	0.2
183.13820	1.3
187.14772	1.6
189.16428	0.3
191.14325	0.2
193.12245	1.2
199.15012	0.2
201.16313	0.5
205.15845	0.4
211.13196	0.3
213.14760	0.2
229.14296	3.3
233.22650	0.6
243.21046	3.9
259.20425	0.3
261.18042	0.3
261.22104	15.9
267.15872	49.1
268.16135	0.4
277.21838	0.2
279.23154	2.9
285.16919	54.2
286.17297	0.5
299.23636	0.5
317.24658	2.3
335.25742	100.0
336.25958	1.1
353.26813	1.9
453.33322	0.9
471.34772	1.3
497.31049	0.3
527.37256	5.1
545.38293	59.9
546.38495	1.2
563.39319	4.3
776.79578	0.2
905.49231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21379	0.4
65.03898	1.5
67.05497	33.5
69.03419	4.2
69.06719	0.6
69.07059	8.8
70.23423	1.7
71.04975	3.8
73.02905	2.9
73.06525	0.6
77.03902	0.5
79.05486	26.0
81.03409	42.5
81.07047	38.3
83.04486	0.5
83.04973	10.1
83.08611	19.0
85.02895	25.7
85.06521	1.9
87.04433	0.4
91.03950	7.7
91.05471	27.6
93.07034	29.6
95.04362	0.9
95.04957	17.3
95.08597	25.0
97.02882	8.5
97.06519	3.4
97.10157	3.5
99.04419	1.3
99.08034	1.3
105.04506	0.5
105.07022	18.7
107.04938	4.2
107.08583	15.6
109.02826	0.6
109.06505	4.5
109.10146	9.7
111.04409	1.7
111.07372	0.5
111.08076	7.8
113.05979	1.1
115.05416	1.4
117.06991	3.5
119.04880	0.8
119.08569	15.7
121.06448	1.2
121.10124	15.2
123.08047	1.9
123.11703	4.2
125.05937	0.6
125.09599	1.6
127.03916	2.7
127.07545	0.8
128.06187	0.5
129.06987	8.1
131.08554	11.5
133.06467	2.1
133.10121	11.5
135.08057	0.7
135.11674	6.0
137.09579	1.8
137.13206	1.1
142.07765	2.1
143.08528	0.7
145.04941	3.4
145.10094	5.0
147.08029	2.3
147.11668	13.3
149.09601	4.4
149.13283	3.8
151.11169	0.7
157.10110	12.5
158.32837	0.4
159.11717	2.8
161.13315	2.4
163.05988	4.2
163.11139	1.1
163.14769	1.1
165.12708	3.4
171.11702	0.7
173.13208	3.3
175.11169	10.9
175.14749	1.3
177.16394	0.6
181.10022	0.4
183.11649	0.7
185.13216	0.5
187.14793	1.6
193.12218	33.7
195.11723	0.5
197.13307	0.7
211.13269	54.0
227.12740	1.0
233.22791	0.5
243.21080	2.8
261.22128	9.4
267.15900	12.1
273.32730	0.5
277.21774	0.5
283.15494	0.5
285.16934	69.9
286.17245	0.8
301.25201	0.9
317.24826	2.5
333.24152	0.5
335.25763	56.7
336.26120	0.6
416.71127	0.5
435.32217	2.1
453.33542	2.7
463.29779	0.5
471.34698	1.1
509.36185	0.5
527.37311	14.9
545.38324	100.0
546.38855	2.1
563.39380	1.4
689.43286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05499	29.9
69.03416	3.0
69.03759	0.3
69.07062	7.1
69.38103	0.1
69.99038	0.8
71.01357	0.4
71.04987	2.6
71.08588	0.2
73.02911	2.4
77.03915	0.4
79.05133	0.4
79.05486	22.9
81.03411	27.1
81.07049	31.7
83.04466	0.3
83.04973	7.7
83.08611	12.4
85.02895	17.5
85.06532	1.5
91.03951	5.2
91.04548	0.4
91.05471	19.5
93.07037	25.1
94.07337	0.2
95.04064	0.2
95.04961	12.7
95.08598	22.0
95.64449	0.2
96.04506	0.2
97.02883	5.2
97.03500	0.3
97.06517	2.4
97.09605	0.2
97.10165	2.7
99.04463	0.6
99.08080	1.0
101.06043	0.2
101.32370	0.2
103.03938	0.3
105.04501	0.3
105.07018	14.2
107.04947	3.1
107.08585	13.2
109.02872	0.4
109.06503	2.7
109.10145	9.0
111.04439	1.2
111.08073	5.4
111.08853	0.3
111.11713	0.2
113.06006	1.1
113.09653	0.2
115.03951	0.4
115.05416	0.9
116.06206	0.2
116.26125	0.2
117.07011	2.9
119.04925	0.2
119.08569	12.5
121.06515	0.9
121.10132	11.7
123.08063	1.7
123.11706	3.4
125.06044	0.2
125.09616	1.1
127.03911	1.8
127.07570	0.4
128.06215	0.4
129.05524	0.3
129.06993	5.3
130.07777	0.2
131.08556	9.5
133.06477	1.1
133.10120	9.0
133.11159	0.3
135.08041	0.5
135.11682	5.5
135.12695	0.3
137.09595	1.1
137.13254	0.8
139.11188	0.2
141.06947	0.3
142.07785	1.3
143.08553	0.4
144.06618	0.2
145.04926	2.2
145.06583	0.3
145.10106	4.2
147.08043	1.6
147.11674	9.8
149.09615	3.1
149.13235	3.0
151.11194	0.4
151.14832	0.2
151.21510	0.2
153.12732	0.3
155.08543	0.3
157.10117	7.1
159.11659	2.6
161.13232	2.0
163.06009	2.4
163.11148	0.7
163.14804	1.4
165.12715	1.9
169.10144	0.3
171.11693	0.5
173.05904	0.2
173.13234	2.6
175.11174	7.0
175.14760	0.9
177.16368	0.4
179.14365	0.3
181.12267	0.2
183.11673	0.4
185.13226	0.6
187.14807	1.1
189.11212	0.4
189.16356	0.2
193.12222	20.1
195.08069	0.4
195.11679	0.2
197.13268	0.2
199.11275	0.2
199.14864	0.3
200.11090	0.2
201.16394	0.6
202.24249	0.2
211.13269	28.8
219.17509	0.3
227.12776	1.0
229.14371	0.4
233.22626	0.3
243.15807	0.2
243.21101	2.4
249.14938	0.5
253.14352	0.4
259.20523	0.3
261.22119	8.0
267.15891	9.5
273.22086	0.2
279.23157	0.4
283.15530	0.2
285.16934	41.1
286.17294	0.2
291.19684	0.2
299.23651	0.3
301.25259	0.6
303.23254	0.5
307.16797	0.2
317.24719	1.9
325.17819	0.2
333.24127	0.3
335.25766	62.0
336.26083	0.6
341.24847	0.3
359.25366	0.2
365.23450	0.2
404.84619	0.2
406.92297	0.2
417.31454	0.4
435.32547	1.4
453.33667	1.3
471.34753	0.8
491.34830	0.2
501.35757	0.2
509.36075	0.5
527.37256	12.4
545.38324	100.0
546.38782	1.4
563.39227	0.6
689.41913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74535	0.4
67.05503	11.5
69.03402	1.0
69.07063	7.3
69.39964	4.7
71.04958	1.2
71.08626	13.3
73.02878	1.3
78.68040	0.4
79.05481	4.1
81.03423	0.6
81.07051	31.9
83.04965	2.3
83.08611	8.3
85.02894	6.4
85.06506	1.5
85.09719	0.6
85.10175	8.6
87.04422	0.4
88.42503	0.4
89.05978	1.2
91.03960	4.1
91.04972	0.5
91.05472	6.4
91.91749	0.4
93.07029	3.6
95.04927	0.9
95.08600	14.5
97.02877	3.3
97.06504	2.2
97.10152	2.7
98.21528	0.8
99.04433	0.6
99.08064	2.1
99.11729	0.7
101.05972	0.8
102.06148	0.5
103.07545	0.9
104.07884	0.5
105.07019	11.7
107.04902	0.4
107.08591	4.6
109.06486	2.0
109.10148	5.0
111.08072	0.6
111.11720	0.8
119.07795	0.7
119.08571	8.5
121.10126	7.2
123.08021	1.7
123.10818	0.8
123.11698	13.2
127.03880	1.7
127.07526	1.1
129.06966	0.7
133.10107	1.4
134.46091	0.4
137.13211	1.9
141.09131	0.8
145.04926	1.3
147.11682	27.5
149.09598	0.6
152.44987	0.5
156.81459	0.5
157.10100	1.2
163.05992	1.7
165.12749	10.7
175.11206	0.8
183.13814	0.9
193.12085	0.7
229.14323	2.0
229.82584	0.4
239.23643	1.6
257.24753	1.2
267.15897	42.0
285.16937	41.5
313.27338	100.0
314.27676	1.3
474.57983	0.5
516.47711	0.4
523.39917	70.9
524.40662	1.3
653.88818	0.6
735.68420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	19.8
69.03422	1.8
69.07069	11.8
70.30030	4.6
71.04991	2.7
71.08626	19.3
73.02924	2.7
78.46455	0.9
79.05486	8.0
81.07050	65.3
83.04970	5.5
83.08607	13.0
85.02901	9.0
85.06538	3.2
85.10183	13.2
89.06058	1.4
91.03969	6.2
91.05474	13.2
93.07044	7.0
95.04969	1.9
95.08596	24.9
97.02872	5.4
97.06541	4.0
97.10152	4.8
98.20650	1.7
99.08099	2.9
99.11728	1.3
105.07021	20.6
107.08571	7.7
109.06527	3.1
109.10159	6.7
119.08568	18.4
121.10143	12.4
123.08087	2.0
123.11700	25.0
123.12571	1.7
127.03912	3.1
127.07567	2.6
129.07019	1.2
131.08592	1.1
133.10165	2.2
137.13300	2.9
141.09123	1.1
145.04973	2.1
147.11670	49.7
157.10089	1.0
163.06029	2.7
165.12744	25.7
165.14111	1.6
175.11191	1.3
193.12291	1.1
229.14352	4.1
239.23679	2.1
267.15894	80.1
268.16406	2.2
285.16949	91.0
286.17212	1.5
299.65625	1.0
312.80817	1.0
313.27338	92.1
314.27679	2.2
331.28418	1.9
523.39905	100.0
524.40155	3.6
624.85309	1.0
883.04126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	10.0
69.03398	2.1
69.07063	6.7
70.02765	0.7
70.03168	2.0
71.04956	1.8
71.08630	15.9
73.02911	2.3
79.05066	0.6
79.05486	7.7
81.03415	24.1
81.07052	16.0
83.04976	5.1
83.08614	14.0
85.02904	16.3
85.06518	1.0
85.10176	9.4
87.04485	0.9
89.05991	0.6
91.03957	5.2
91.05473	10.9
93.07032	6.6
94.76466	0.5
95.04960	9.9
95.08601	14.9
97.02881	4.1
97.06496	1.4
97.10167	3.5
99.04449	0.8
99.08028	0.5
103.07550	0.7
105.06353	0.8
105.07012	7.5
107.04930	2.4
107.08586	2.5
109.02825	0.6
109.06496	1.7
109.10146	6.8
111.04446	0.8
111.07495	0.4
111.08074	4.8
111.11698	0.6
115.05401	0.6
119.08566	7.4
121.06464	0.8
121.10120	3.8
123.08051	0.7
123.11671	2.9
127.03870	1.6
129.06981	4.6
131.08559	4.3
133.06459	1.5
133.10120	4.4
135.11642	0.6
137.09608	0.9
137.13234	0.9
142.07787	1.4
145.04929	1.6
145.10049	0.6
147.07993	0.9
147.11678	5.8
149.09612	2.5
151.11064	0.6
151.14743	0.6
157.10117	7.0
163.06017	1.7
163.11182	0.5
165.12785	1.0
175.11177	6.7
177.89920	0.5
193.12234	18.4
211.11279	1.1
211.13277	20.5
239.23683	1.5
257.24774	0.8
267.15884	11.6
267.18588	0.9
285.16940	31.9
313.27350	62.2
314.28082	0.7
402.77652	0.5
505.38852	16.0
512.72430	0.5
523.39923	100.0
524.40131	2.2
545.10992	0.6
732.12756	0.6
732.25012	0.6
891.26721	0.6
891.43268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39405	0.5
65.03944	0.5
67.05499	11.9
69.03421	2.2
69.07063	6.2
71.00966	0.8
71.01329	1.2
71.04987	2.6
71.08627	13.3
73.02907	2.7
79.05489	9.7
81.03413	30.3
81.07053	16.7
82.38760	0.5
83.04977	6.8
83.08612	15.2
83.09109	1.0
84.09403	0.4
85.02900	19.7
85.06541	0.9
85.10174	6.8
87.04462	0.9
89.06023	0.7
91.03960	5.5
91.04896	0.6
91.05476	12.6
93.07048	6.7
95.04964	11.8
95.05550	0.9
95.08607	14.3
97.02895	5.1
97.06528	2.0
97.10162	3.5
99.04434	0.7
99.08098	0.9
105.07030	10.4
107.04954	2.5
107.08576	3.8
109.02894	0.6
109.06527	1.6
109.10152	5.5
111.04433	1.0
111.08082	6.0
111.11721	0.6
113.06011	1.2
117.07004	0.7
119.08575	8.6
121.06504	1.0
121.10132	4.2
123.08087	1.3
123.11713	2.9
127.03917	2.6
129.06993	4.9
131.08582	5.2
133.06500	1.5
133.10115	5.6
135.11716	0.6
137.09601	1.0
137.13232	0.5
139.11244	0.5
142.07726	0.9
145.04964	2.4
145.87022	0.5
147.08038	1.4
147.11665	7.5
149.09612	2.7
149.49323	0.5
152.87224	0.5
157.10127	7.2
163.05978	2.4
165.12747	0.8
175.11163	7.8
193.12236	20.6
211.13272	36.4
239.23618	0.9
249.14795	0.6
267.15897	14.8
285.16953	54.6
286.17337	0.6
313.27347	54.0
347.22418	0.5
449.61813	0.5
505.38855	14.1
523.39923	100.0
524.40460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.1
65.03923	2.4
67.05498	58.8
69.03397	1.8
69.07063	15.2
69.26871	5.8
69.27297	7.6
71.04985	3.0
79.05486	42.2
81.03411	1.8
81.07049	52.4
83.04984	2.8
83.08616	7.9
85.02890	1.6
85.06524	2.5
91.05469	21.4
93.07036	39.6
95.04975	5.9
95.08600	40.9
97.06484	1.6
97.10148	5.6
98.21436	2.6
100.66545	1.2
102.89018	1.1
103.05443	2.8
105.07013	18.0
107.04981	1.4
107.08588	21.5
109.06515	2.3
109.10146	15.1
111.08080	1.6
115.05453	3.4
117.07011	12.1
119.08580	13.7
121.10139	18.7
123.04447	10.1
123.11675	5.5
125.09615	3.0
128.06270	2.9
129.06984	3.9
131.04935	4.5
131.08562	10.2
133.06493	1.4
133.10132	9.6
135.08047	1.6
135.11685	14.1
137.05978	2.2
137.09633	1.4
137.13197	1.0
141.07018	5.9
142.07773	1.4
143.04915	3.8
143.08551	4.3
145.06467	7.3
145.10097	7.2
147.04422	2.2
147.11659	7.7
149.05962	6.9
149.13239	6.0
152.06195	4.4
153.06958	8.3
154.07722	2.4
155.08545	12.1
157.06497	8.8
157.10152	2.7
158.07246	1.2
159.08031	2.8
159.11659	6.6
160.05194	2.2
161.05957	16.2
161.13251	4.4
163.07510	7.9
163.14815	2.0
165.06931	9.7
166.07803	3.0
167.08562	28.0
169.06487	6.9
169.10153	4.2
170.07253	1.4
171.07974	6.4
172.05186	3.6
173.05969	35.7
173.09711	1.2
173.13271	3.2
174.06754	3.7
175.07561	6.2
175.14873	1.8
177.05489	1.6
177.09108	1.6
177.16434	1.8
179.08551	7.1
181.06474	18.5
181.10091	4.8
182.07309	6.5
183.08034	15.8
185.06000	5.1
185.09586	5.7
186.06680	3.0
187.07529	16.0
187.14859	3.3
189.05482	2.4
189.09088	3.5
193.06471	2.3
193.10130	3.0
194.07219	5.6
195.08043	94.3
196.08505	2.1
197.05991	3.3
197.09604	28.3
198.06767	4.3
199.07523	22.5
199.11247	1.4
200.08310	3.7
201.09096	14.9
205.10204	3.3
207.08011	6.2
209.09584	8.8
211.07515	7.5
211.11253	2.8
213.09087	52.6
214.09523	1.5
215.10687	6.2
217.08498	1.4
219.08060	2.2
219.11716	2.2
220.08829	1.4
221.09552	10.0
223.07600	2.4
223.11192	7.0
225.09059	3.2
227.10716	4.3
229.12358	1.6
233.09541	3.4
234.10358	1.3
235.11134	3.1
237.09242	2.0
237.12819	2.2
239.10655	3.9
243.21077	4.6
245.13368	1.1
247.11197	1.8
248.11951	1.1
249.12775	1.4
251.10626	2.5
251.14252	2.1
251.17876	1.3
256.14539	5.8
259.20520	6.7
261.16400	2.0
261.22147	12.6
263.14362	2.0
265.12421	1.5
267.86707	1.1
277.15805	2.3
279.17404	12.6
284.14133	5.1
289.15863	6.3
291.17416	3.8
295.17026	1.9
297.18552	3.0
299.16345	3.1
305.15152	2.1
307.16910	39.6
309.18530	6.1
317.24686	2.7
321.18463	2.8
322.15610	1.3
323.16275	6.0
325.17957	54.3
333.18484	3.5
333.24194	3.4
335.25763	100.0
336.26083	1.9
337.18063	1.8
337.27307	1.5
339.19565	2.3
340.16681	2.3
341.17603	2.4
343.19028	13.4
345.18683	2.2
351.19458	2.8
359.18549	1.5
363.19574	12.1
365.21503	1.2
381.20593	14.3
383.22189	3.3
397.20059	2.2
399.21625	50.8
400.21783	1.7
415.21121	2.4
417.22687	45.0
441.69846	1.3
567.38324	5.7
585.39240	3.7
603.38318	1.3
618.39026	2.3
641.42328	7.0
659.42944	20.2
677.44073	44.3
695.45013	3.0
841.58838	1.3
891.91907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02636	1.3
61.02925	17.1
63.49982	0.8
69.03428	32.8
69.88795	3.3
69.89230	2.1
71.01375	5.4
71.04985	1.7
73.02914	100.0
81.03404	6.1
85.02900	88.0
87.04462	6.9
91.03948	3.8
95.42148	0.8
97.02887	64.6
99.04430	4.2
102.87432	0.9
103.03935	3.4
107.04946	1.8
109.02872	5.5
112.15374	0.9
114.05459	1.2
115.03922	44.3
125.02383	1.2
127.03914	38.7
132.06586	1.3
133.04958	52.5
135.08073	1.9
136.02209	0.9
139.03987	1.1
143.03433	0.9
144.06578	1.1
145.04951	64.2
150.07616	17.3
157.04932	0.9
159.08090	1.2
161.05937	0.9
162.07579	1.2
163.06001	37.1
163.07387	1.8
171.08058	2.4
176.81029	0.8
180.08652	6.1
181.04976	1.5
193.04915	1.9
199.06018	4.3
199.07637	1.1
201.09071	2.6
205.07222	1.2
211.06044	0.9
217.07066	5.5
223.05956	9.7
231.10234	2.6
241.07050	14.3
243.10242	1.4
259.08124	39.7
260.08453	1.4
261.11203	3.7
271.05975	3.0
272.06363	1.4
277.09167	13.9
294.11761	2.9
295.10217	34.2
297.13257	1.6
301.06931	1.3
312.12872	2.7
314.15976	8.7
446.20203	31.3
447.20267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.0
67.05499	3.8
69.03419	2.4
69.07064	1.0
71.04986	1.0
71.62944	0.5
73.02910	3.3
79.05485	4.7
81.03452	1.0
81.07056	3.4
83.04948	0.7
83.08612	0.6
85.02894	3.9
91.03951	2.3
91.05488	5.7
93.07034	5.0
95.04980	1.2
95.08588	2.9
97.02896	3.0
99.04441	0.6
101.02393	1.8
105.07037	4.1
107.04937	0.5
107.08550	2.0
109.10156	0.9
111.08146	0.4
117.07033	1.8
119.08556	2.9
121.10188	0.8
126.49494	0.4
127.03916	1.1
129.07014	1.1
131.08585	2.0
133.10165	1.5
135.11722	0.5
143.08569	1.3
145.10139	2.0
147.11707	0.7
149.29366	0.5
159.11726	0.8
161.13141	0.5
163.07510	0.5
168.04100	0.4
171.11758	0.7
173.13136	0.5
184.07518	0.5
185.13303	1.1
203.05293	0.6
243.08443	2.4
247.13124	1.1
303.15692	1.1
303.19238	0.7
315.19080	0.5
333.20328	7.8
389.23175	1.4
421.76492	0.5
454.15561	0.5
463.23206	0.7
465.20953	9.9
551.28271	15.2
689.35358	0.5
775.42603	2.6
861.49579	100.0
862.49768	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71658	3.1
61.02931	5.7
65.03926	4.9
67.05499	80.5
69.03432	6.9
69.07070	24.9
71.04975	8.1
79.05485	70.7
81.03425	8.7
81.07051	80.1
82.47842	2.8
83.04971	3.3
83.08623	16.4
85.02918	7.3
85.06558	8.7
91.05471	100.0
93.07036	73.3
95.04961	17.4
95.08599	64.5
97.02911	7.8
97.06553	16.5
97.10184	8.5
99.08106	15.0
103.05423	3.8
105.07026	97.1
105.65520	2.9
107.04939	9.4
107.08576	48.3
109.06519	27.3
109.10143	17.3
109.78058	2.9
111.08083	8.7
113.05993	6.2
113.09633	5.5
115.05437	9.6
117.07017	56.6
119.08572	71.4
121.06541	6.2
121.10141	29.4
123.08089	7.6
123.11670	3.6
125.09656	10.0
127.07549	2.7
128.06230	8.5
129.05539	4.0
129.06998	46.8
130.07837	7.6
131.08568	57.5
133.10126	37.7
133.55489	3.1
134.58934	3.5
135.08041	8.2
135.11652	15.3
137.09639	5.6
139.11278	2.9
140.46107	3.1
141.06963	18.1
142.07724	9.8
143.08566	44.4
145.06490	4.0
145.10106	64.4
147.08029	5.5
147.11697	31.6
149.09625	12.0
149.13203	5.0
155.08548	20.5
156.09286	5.2
157.10146	35.9
159.08055	4.6
159.11690	48.2
159.12883	5.4
161.09637	9.6
161.13202	15.4
163.11223	9.3
165.07069	3.9
167.08556	10.2
168.09386	6.9
169.10089	25.2
170.10782	4.1
171.11729	21.3
173.13263	22.0
175.11200	8.7
175.14804	6.5
177.12817	4.1
179.08539	6.6
180.09192	2.9
181.10078	17.0
183.11687	22.0
185.13235	48.6
187.11237	4.2
187.14798	10.2
195.11726	15.0
197.13199	12.6
199.14822	8.5
201.12717	4.0
201.16452	5.3
203.14268	16.3
205.15878	4.6
207.11673	8.6
209.13206	15.4
211.14824	8.3
213.16383	6.9
217.15903	5.7
219.17477	5.8
221.13263	6.9
221.15309	4.2
223.14839	10.6
229.81465	4.1
235.14842	6.0
237.16467	5.1
239.17996	10.4
249.16359	4.9
255.17302	5.8
257.18967	26.4
259.20544	5.6
270.07999	3.1
272.55502	3.2
273.18488	13.5
275.20068	37.4
277.21771	3.7
321.21942	3.7
327.23242	4.0
331.22610	8.7
345.36157	3.2
347.22488	5.5
349.23727	48.6
351.25766	3.7
441.31235	3.1
459.32584	6.4
485.32300	4.3
497.32672	7.4
527.37158	4.0
549.39435	3.3
551.37482	11.5
553.38757	7.4
555.37213	4.7
565.39130	6.9
569.38098	12.7
571.40546	3.7
605.41602	13.3
623.42932	45.9
641.43951	11.4
733.45441	3.6
833.36426	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	856.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02637	3.2
61.02922	47.6
67.05497	50.6
68.26052	1.9
69.03405	6.5
69.07054	10.4
70.74841	3.5
70.75217	4.4
73.02913	21.1
79.05484	26.2
81.03414	2.7
81.07052	64.4
83.08598	5.2
85.02419	3.7
85.02897	61.9
85.06542	2.2
91.03945	59.9
91.05463	11.9
93.07034	36.7
93.89313	2.2
95.04932	2.9
95.08599	48.0
97.02880	31.4
97.06547	2.5
97.10178	2.5
99.04463	5.4
99.08047	2.3
103.03936	2.3
105.06994	11.8
107.08574	26.3
109.10149	30.4
111.11694	2.6
115.03979	2.2
117.06993	7.5
119.08560	13.0
121.10127	28.8
123.11707	13.6
126.05478	1.7
127.03902	23.0
131.08559	15.0
133.10110	9.4
133.68381	1.9
135.11679	26.5
137.13240	5.9
138.64584	2.2
145.04950	45.4
145.10127	12.1
147.11662	9.5
149.13222	18.9
151.11208	2.7
159.11725	11.2
161.13231	13.3
163.06010	87.1
163.14832	14.6
173.13275	12.3
175.14886	3.2
177.16347	4.9
179.14322	4.0
187.14832	8.5
201.16345	4.9
223.90298	2.3
226.09859	2.2
230.36194	1.9
243.21068	34.3
261.22116	92.1
279.23215	4.3
325.11292	5.6
335.25790	41.7
353.26822	100.0
354.27423	2.9
497.30981	12.2
552.65344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	19.6
69.03410	4.5
69.07063	5.7
69.92908	1.5
71.04992	3.9
71.60753	3.2
73.02945	1.7
79.05500	17.3
81.03418	86.6
81.07056	20.9
83.04975	7.2
83.08626	14.1
84.61121	1.7
85.02896	2.4
85.06557	1.8
91.05474	24.4
93.07060	11.0
95.04969	26.2
95.08600	8.5
95.12691	1.5
96.17218	2.0
97.06502	3.0
97.10159	6.4
103.05472	3.2
105.07026	17.4
107.04939	5.3
107.08597	7.2
109.06522	4.6
109.10143	4.1
111.08069	4.8
115.05465	2.4
116.94456	1.7
117.07017	4.8
117.78818	1.9
119.08575	13.5
121.06503	4.2
121.10133	5.2
123.04411	9.9
123.08075	1.7
125.09661	3.0
128.06209	2.3
129.06993	11.6
131.04932	4.9
131.08546	8.2
133.06505	4.6
133.10143	3.5
135.11790	2.2
136.55647	1.7
137.05997	2.6
141.06979	6.2
142.07870	2.8
143.08517	2.3
145.06485	8.8
147.04420	3.7
147.08064	2.6
147.11703	8.3
149.05983	5.0
149.09665	3.9
152.06261	3.1
153.07005	4.7
155.08571	7.7
157.06496	6.2
157.10135	12.2
159.11795	2.1
160.05170	2.3
161.05992	13.7
161.37529	1.6
163.07520	4.7
163.11198	1.9
165.06984	8.2
166.07814	2.3
167.07204	3.1
167.08549	24.0
169.06534	3.4
169.10130	4.1
171.08043	3.0
172.05142	3.6
173.05989	32.5
175.07520	5.7
175.11177	7.4
179.08580	5.5
181.06482	15.7
181.10115	5.0
182.07281	5.5
182.86780	1.8
183.08032	12.9
185.05948	4.4
185.09641	5.2
186.06769	3.1
187.07542	13.8
189.09114	4.2
193.12234	14.9
194.07274	5.0
195.08058	77.3
197.05930	2.1
197.09587	19.3
198.06728	3.7
199.07571	18.4
200.08365	2.8
201.09166	12.8
205.10234	3.1
207.08049	3.5
208.08836	1.6
209.09619	6.3
211.07538	5.4
211.13127	2.6
213.09108	51.1
215.10704	4.0
217.08492	2.0
219.08025	2.5
219.11731	2.5
221.09599	10.6
222.10378	1.8
223.07639	2.5
223.11142	6.1
225.09172	2.6
233.09639	4.7
235.11176	3.8
237.09148	2.8
239.10645	2.5
247.11156	2.7
249.14865	2.0
251.10646	1.8
256.14603	5.8
261.12698	2.2
261.16364	1.9
267.15912	100.0
279.17456	9.6
284.14011	8.2
289.15884	6.4
294.89755	1.9
297.18552	2.7
307.16882	25.2
321.18338	2.0
325.17993	37.4
333.18430	4.3
343.19019	9.3
344.64493	1.9
345.18503	3.8
359.18240	2.0
363.19501	9.4
381.20572	8.0
387.19357	2.0
399.21640	54.9
400.21750	2.9
417.22739	27.4
481.27496	9.0
499.28421	29.7
517.29327	9.1
535.30872	2.1
537.29688	2.4
550.28735	3.9
555.30957	3.6
573.32111	18.8
590.70953	1.8
591.33148	60.5
609.24701	3.8
609.34235	55.7
627.35120	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	856.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	60.0
62.64448	2.1
67.05166	3.5
67.05498	41.9
69.03420	9.5
69.07064	9.4
70.10690	4.9
70.11105	7.5
70.18526	2.3
73.02908	20.1
79.05486	25.1
81.03394	2.8
81.07046	58.0
83.08607	7.7
85.02896	84.9
87.05130	2.4
91.03397	4.6
91.03949	75.2
91.05463	13.0
93.07037	37.1
95.08595	48.9
97.02882	38.8
98.21410	2.9
99.04436	3.8
101.02343	2.4
105.07005	9.0
107.08573	26.6
109.02856	3.7
109.10146	31.8
117.06997	6.9
119.08563	9.2
121.10130	23.8
123.11670	14.1
127.03914	29.7
131.08521	14.3
133.10118	10.1
135.11653	21.2
137.09512	2.3
137.13254	6.2
145.04958	43.6
145.10121	9.4
147.11671	8.6
149.13266	16.1
159.11664	8.8
161.13229	11.7
163.06007	92.9
163.14812	14.8
165.12743	3.3
171.11781	2.9
173.13283	8.8
175.14751	3.7
177.16403	7.7
187.14847	6.3
201.16454	3.7
225.72171	2.3
243.21068	39.3
261.22125	100.0
263.23615	3.4
270.41260	2.4
279.23083	7.0
317.24469	2.7
325.11243	9.4
335.25784	42.6
335.29388	2.1
336.50797	2.7
353.26846	95.1
437.13297	2.6
448.66510	3.1
497.30899	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	856.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	51.3
65.03938	2.2
67.05503	53.1
69.03409	6.7
69.07057	10.1
71.04982	3.3
71.61069	2.8
73.02560	1.7
73.02922	19.1
75.04478	2.1
76.96777	1.7
79.05489	29.1
81.03404	3.9
81.06577	2.9
81.07056	59.0
83.05016	1.8
83.08606	7.1
85.02901	66.3
85.06544	2.8
91.03954	63.1
91.05467	15.4
91.11336	1.8
93.07047	40.5
95.04965	3.4
95.08605	46.0
97.02899	31.2
97.06541	2.0
97.10171	2.0
99.04444	4.9
105.07045	14.9
107.08597	26.4
109.02896	2.2
109.10157	26.8
111.08067	3.4
115.03981	3.2
117.07014	6.3
119.08582	16.3
121.10134	29.8
123.11701	10.7
125.09618	1.7
127.03916	27.1
131.08553	16.7
133.10138	12.9
135.11688	26.2
136.74896	1.5
137.13283	5.5
139.11179	2.6
145.04961	35.7
145.10120	14.0
147.11699	10.6
149.13257	23.1
151.11163	2.4
151.14793	3.1
159.11714	12.1
161.13225	10.6
163.06020	68.7
163.14825	14.0
165.12859	3.0
170.04372	1.6
173.13307	11.9
175.14844	3.1
177.16385	5.6
179.14284	2.5
187.14789	4.1
201.16425	2.4
205.15810	3.4
243.21075	38.3
261.22134	100.0
262.22824	2.0
279.23178	2.5
325.11273	7.4
335.25885	20.0
353.26855	89.4
354.27258	2.2
357.14456	1.9
433.01740	1.8
460.28177	4.8
480.14304	2.0
488.86383	1.9
497.30988	3.0
604.63098	1.7
820.55426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.0
65.03934	0.5
66.96560	0.2
67.05486	0.5
69.03416	2.3
69.07063	2.2
70.06592	1.2
71.04968	0.2
71.62033	0.4
73.02894	0.7
79.05465	0.7
81.03388	0.9
81.07043	1.3
82.06572	0.4
84.03513	0.2
84.04478	0.8
85.02898	7.6
86.54069	0.2
87.04440	0.5
91.03937	0.3
91.05473	0.9
92.05028	0.2
93.07020	0.8
94.06541	0.9
95.04947	0.3
95.08618	0.9
96.04455	0.4
96.08093	0.4
96.17290	0.2
97.02872	2.3
97.87738	0.2
98.06007	0.4
98.97568	0.3
99.04433	0.4
101.07143	0.4
105.07031	1.5
106.06523	0.5
107.04914	0.4
107.07337	0.2
107.08575	1.7
108.08125	0.2
108.10397	0.2
109.02847	0.6
109.06490	0.5
109.10155	0.3
110.06013	3.5
112.07584	0.9
112.08726	0.4
115.08642	0.3
116.98601	0.2
119.08558	1.9
120.04451	4.1
120.08086	0.5
121.01285	0.2
121.05223	0.6
121.10132	0.7
122.06021	3.6
123.04445	0.2
124.07574	3.8
124.28835	0.2
127.03917	1.4
133.10149	1.5
134.06004	1.1
135.11703	0.4
136.07533	0.6
137.09682	0.2
138.05502	0.5
140.07051	9.9
141.07832	7.2
142.08620	25.0
143.08978	0.4
145.02910	0.2
145.04892	0.8
147.11681	0.5
152.07079	1.3
153.07401	0.4
154.08611	2.7
162.05486	96.4
163.05916	2.0
163.14790	0.6
164.07082	1.7
175.14801	4.2
175.16248	0.3
177.00616	0.2
193.15877	1.9
198.09016	0.4
211.16830	1.1
214.08452	0.4
216.06570	0.5
216.10193	2.1
217.13434	1.1
226.08566	0.3
230.08168	1.2
237.02777	0.2
240.10204	0.4
243.11273	2.4
244.09650	1.7
245.05078	0.3
258.11243	4.4
261.12326	10.4
262.12839	0.2
268.09564	0.7
279.13379	6.0
285.12344	3.0
286.10715	3.6
303.13358	100.0
304.13718	2.7
305.13885	0.5
320.15851	0.2
321.14386	1.3
338.10599	0.3
344.16013	2.4
360.09634	0.3
446.16125	0.2
447.99719	0.2
465.18665	10.8
466.18951	0.5
855.37915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.7
65.03930	1.6
67.05496	20.1
69.03423	5.4
69.07055	6.3
70.05344	4.5
71.04979	6.4
73.02901	2.1
79.05482	22.9
81.03409	72.5
81.07049	28.3
83.04974	16.0
83.08132	1.8
83.08613	26.3
85.02896	32.2
85.06537	1.9
86.34448	0.9
89.57095	0.8
91.03954	5.6
91.05471	31.8
93.07034	17.5
95.04959	29.6
95.08605	10.5
97.02879	9.5
97.06527	4.5
97.10150	4.7
99.04481	1.3
103.05474	1.0
105.07024	22.7
107.04963	7.8
107.08584	9.2
109.02892	1.4
109.06498	4.7
109.10155	4.3
111.04413	2.6
111.08070	13.1
113.05983	2.2
115.05448	1.6
117.06990	1.9
119.04883	1.8
119.08573	20.2
121.06503	2.2
121.10133	11.4
123.04496	1.2
123.08076	3.9
123.11708	2.6
125.05988	0.9
125.09624	2.4
127.03904	2.7
128.93791	0.8
129.06989	10.8
131.04915	1.3
131.08569	11.8
133.06488	3.4
133.10117	14.0
135.08101	0.9
135.11693	1.1
137.05988	4.0
137.09583	2.7
140.32384	0.8
142.07768	2.9
145.04948	1.5
145.10106	2.6
147.04454	1.2
147.08038	4.0
147.11665	16.2
149.09590	7.3
151.03915	1.0
151.07555	1.1
152.45549	0.8
157.10104	18.4
161.05896	1.4
163.06013	2.2
165.12737	3.0
167.07042	3.1
168.07457	1.0
175.07803	1.1
175.11169	17.7
177.05470	1.1
181.04916	1.8
187.14729	0.8
193.12224	50.7
201.05656	1.3
207.06535	1.2
211.13271	72.3
267.15887	43.7
285.16937	79.3
367.22552	1.8
385.23502	4.3
393.19061	1.0
403.24503	1.3
433.25745	2.7
441.26199	1.9
459.27396	37.4
460.27701	1.0
477.28424	39.0
495.29492	100.0
496.29596	2.3
523.26880	0.9
621.32825	1.3
639.33368	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.2
67.05494	2.1
68.99787	8.3
69.03418	18.1
69.45718	2.5
69.46125	12.1
69.59793	1.5
71.04987	1.9
72.74023	1.7
79.05479	3.5
81.03403	3.3
81.07053	2.8
83.01289	1.8
83.04940	2.3
83.08630	1.8
85.02906	3.5
86.09697	1.7
91.05464	3.4
93.07039	1.8
95.04932	2.4
95.08629	2.5
97.02888	2.9
105.07024	3.2
107.04930	2.8
107.08614	2.4
109.02818	1.7
109.10104	2.2
111.00805	7.8
111.04398	1.9
119.04934	4.2
119.08543	1.9
121.02851	5.3
121.06516	2.0
123.04423	9.4
127.03896	9.3
128.06184	3.1
129.06998	4.9
131.04922	2.6
133.06476	1.9
133.09991	1.9
135.04425	4.7
137.05968	8.2
139.03889	100.0
141.07014	3.5
143.08481	3.2
145.06450	3.2
147.04483	3.7
149.05945	2.8
150.97269	1.6
151.03899	15.9
151.07562	2.3
152.06210	4.7
153.01807	2.4
153.05472	4.5
153.06958	5.6
155.08522	5.7
157.06470	4.2
161.05956	5.9
163.03903	26.5
165.05481	9.8
165.07002	4.5
166.07692	2.2
167.03409	17.8
167.07056	5.1
167.08566	10.2
168.05722	2.5
169.06444	6.5
171.08026	4.9
173.06003	5.5
175.03934	5.4
175.07544	3.6
177.05441	8.9
177.06999	4.1
179.03384	10.9
181.05023	3.3
181.06500	5.5
183.04396	2.4
183.08046	12.6
185.05995	9.5
187.03879	4.6
187.07562	2.0
189.05432	10.2
189.09088	1.8
190.06314	2.9
191.03384	39.3
191.05084	3.4
191.06978	3.7
191.08560	2.2
193.04967	2.3
194.07262	2.3
195.06444	2.3
195.08054	16.2
197.05969	10.6
199.03883	2.9
199.07483	10.8
200.04631	5.2
201.05504	17.3
201.09116	1.9
203.03391	13.6
203.06979	5.6
205.04874	8.0
205.06546	5.9
207.06371	2.7
209.06029	3.4
209.09724	2.0
211.03986	1.9
211.07509	15.4
213.05443	13.9
213.09096	5.1
214.06339	2.2
215.03372	6.8
215.06966	9.8
216.04103	2.2
217.04999	5.4
218.05730	4.0
221.06004	3.9
223.07526	15.6
225.05406	6.0
226.06163	2.0
227.07042	12.8
228.04138	12.0
229.04968	23.4
229.08488	9.9
231.02969	1.9
231.06557	6.6
233.04338	19.8
235.07474	4.5
237.05394	3.9
237.09154	2.9
238.06421	2.2
239.07013	4.1
241.04910	6.8
241.08531	12.8
242.05623	3.7
243.06418	14.5
244.07158	8.8
245.04498	2.4
245.08037	4.8
247.07512	2.5
249.05489	3.0
251.05301	6.6
251.07121	7.3
253.08661	2.6
255.06429	9.7
256.03592	2.7
256.07092	2.2
257.04431	60.3
257.08023	11.4
259.05923	3.6
259.09662	3.8
263.07077	2.9
265.08575	8.9
266.05698	2.7
267.06549	5.3
269.04999	2.2
269.08044	17.5
271.05936	2.9
273.07367	2.3
275.05438	60.0
279.06528	8.2
279.09760	1.9
283.05994	2.3
285.04266	3.5
285.07593	7.5
287.05609	7.2
287.09091	44.8
289.08478	3.9
291.06561	2.6
291.10028	2.1
293.07910	8.3
294.05237	2.5
295.06009	1.9
297.04425	2.4
297.07410	12.3
299.05527	13.7
301.07101	3.2
311.12762	1.8
313.07523	1.7
319.05768	2.2
319.09546	2.6
321.07538	4.3
335.09113	14.2
345.07544	2.0
347.08911	3.6
353.10031	3.8
359.09128	3.6
363.08575	10.0
371.09155	3.7
375.08752	4.0
377.06723	1.6
377.10278	14.1
380.08847	2.0
381.09647	57.1
382.06781	9.3
387.08722	8.1
389.10086	3.9
393.09616	6.1
394.06641	3.8
395.11151	5.2
399.08792	3.1
405.09686	38.6
407.11203	3.0
417.09628	12.6
423.10681	17.0
425.12274	100.0
435.10678	17.5
525.11609	4.0
543.12769	54.1
561.13861	11.6
633.59485	1.8
679.17310	2.9
779.93530	2.0
847.43121	1.9
848.76544	1.8
849.22870	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.8
67.05490	3.3
68.99788	7.5
69.03426	16.4
69.83332	6.0
79.05480	2.2
81.03410	2.8
81.07052	2.1
82.57372	0.9
82.91413	1.1
83.04983	1.4
85.02897	2.7
91.05471	2.5
93.03415	1.7
93.07056	1.8
95.04962	3.3
95.08602	1.6
97.02895	2.0
98.21375	2.1
99.04470	0.9
103.05483	1.7
105.07043	2.0
107.04954	2.9
107.08537	1.3
109.02863	1.9
109.06468	1.3
109.10127	1.3
111.00809	6.5
111.04436	3.9
115.05449	2.8
119.04957	2.6
119.08591	1.6
121.02869	2.3
121.06532	1.2
123.04427	11.4
125.02329	1.4
125.05933	1.6
126.03107	1.7
127.03918	10.5
128.06218	1.7
129.06998	3.7
129.07913	0.9
131.04922	3.4
135.04431	3.5
137.02306	1.6
137.05974	5.6
139.03894	100.0
140.04250	1.3
141.06990	2.6
143.08543	2.0
145.06454	1.8
147.04391	3.2
149.02419	2.0
149.05975	1.2
151.03899	19.4
152.06207	4.5
153.05478	4.2
153.06882	5.2
155.03369	0.9
155.04890	1.9
155.08549	4.4
157.06451	4.8
159.04362	1.5
159.54631	1.0
161.05986	3.6
163.03906	20.9
163.05215	1.7
165.01848	1.8
165.05473	9.6
165.07024	5.7
167.03384	15.5
167.08574	7.9
168.05708	1.7
169.06468	6.8
171.08044	4.8
173.06001	4.1
175.03903	4.7
175.07515	2.4
176.04672	2.1
177.01895	1.5
177.05458	8.9
177.07005	4.0
179.03378	8.6
179.08658	1.4
181.04909	2.8
181.06488	6.5
183.04393	2.3
183.08041	12.3
184.05194	1.7
184.08517	0.9
185.05951	9.1
185.09587	2.3
186.06743	1.1
187.03940	6.8
187.07570	3.8
189.05453	9.3
189.09081	1.2
190.06203	1.8
191.03383	35.7
191.06984	2.0
191.08502	1.2
193.04947	3.8
193.06520	3.0
195.08041	17.5
196.05185	1.5
197.05975	11.7
198.06740	2.8
199.03938	2.6
199.07547	9.5
200.04669	4.8
201.05473	16.2
201.09207	2.2
203.03398	12.6
203.06976	5.7
205.04858	7.1
205.06583	5.4
207.06473	2.2
209.06059	4.5
209.09648	1.2
211.07503	13.8
212.04593	2.1
213.05452	15.8
213.09004	5.5
213.81921	1.1
214.06186	2.4
215.03352	5.3
215.06944	10.7
215.08749	0.9
216.04150	1.6
216.07727	1.9
217.05013	6.1
217.08562	1.6
218.05730	3.4
219.08112	2.5
221.05992	4.2
222.06697	1.9
223.07533	16.4
224.04691	1.5
225.05463	4.4
226.06256	1.2
227.06999	14.9
228.04160	12.3
229.04968	24.0
229.08519	14.2
230.05586	1.9
231.02913	1.6
231.06483	8.3
233.04301	14.3
234.06761	1.8
235.07532	2.2
236.04593	1.4
237.05486	2.4
237.09023	1.3
239.07022	5.0
241.04901	9.3
241.08540	12.5
242.05737	3.1
243.06462	15.2
244.07277	12.9
245.04366	4.8
245.07964	6.6
247.07597	3.6
249.05470	2.7
250.06187	1.7
251.05046	2.9
251.07457	10.7
252.04250	1.2
253.04979	1.9
253.08569	2.3
255.06439	9.2
256.03641	1.8
257.04449	63.0
257.08075	11.8
258.04901	3.1
259.06015	3.5
259.09659	2.7
261.09204	1.1
262.06393	1.1
265.08606	9.2
266.05704	1.8
267.06503	5.4
267.10165	1.7
269.04550	2.0
269.08051	15.2
270.05063	2.4
271.05817	2.0
275.05441	50.2
279.06506	8.5
280.07275	1.9
283.06027	1.5
283.09473	1.4
285.04022	3.8
285.07623	7.1
287.05582	7.3
287.09134	36.5
289.08475	3.0
293.08035	5.0
294.04977	1.4
297.07523	11.9
299.05392	5.7
301.06851	5.4
303.06531	1.4
306.05289	1.7
307.09677	1.1
311.05576	1.8
311.08987	1.1
313.07571	1.3
315.09937	1.3
316.07468	1.3
317.07919	2.8
319.06064	1.9
319.09616	2.0
321.07614	3.3
321.11310	1.0
329.08112	1.9
331.09555	2.6
335.05542	1.8
335.09137	13.2
336.05930	1.3
341.08096	1.7
343.09583	1.4
345.07602	2.3
347.09180	3.0
353.10257	1.8
359.09131	5.1
363.08566	8.3
365.10541	1.5
371.09097	3.5
375.08829	1.5
376.05542	1.9
377.10233	13.0
381.09680	42.6
382.06625	5.9
387.08710	8.0
389.10144	3.7
391.07925	1.6
393.09940	6.4
394.06607	6.4
395.11121	4.4
399.08655	2.7
403.07648	1.4
405.09647	36.4
407.11111	3.5
417.09616	12.9
423.10733	19.0
425.12286	73.3
426.12549	1.6
435.10666	28.1
515.13086	1.5
525.11719	3.4
543.12836	39.9
561.13831	11.9
671.25574	1.3
679.18433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.5
65.03932	4.6
67.05499	70.6
69.03422	17.4
69.07066	19.5
69.95648	12.8
71.04989	6.5
73.02913	2.8
77.55574	2.1
79.05486	44.2
81.03413	27.9
81.07053	67.5
83.04980	21.8
83.08617	11.0
85.02885	5.7
85.06551	4.6
86.94992	2.5
87.04461	16.7
91.05477	35.6
93.07036	49.8
95.04968	7.5
95.08602	49.8
97.02873	9.4
97.06526	3.9
97.10162	5.3
99.04453	4.9
103.05460	4.6
105.07016	26.0
107.08593	26.3
109.02904	4.0
109.06495	2.6
109.10150	16.6
111.04422	3.2
115.05474	6.4
117.07025	12.5
119.08582	15.1
121.10125	20.2
123.04417	15.3
123.11702	5.7
125.09636	4.6
127.03937	4.9
128.06210	3.7
129.05478	9.2
129.07005	6.2
130.37097	2.1
131.08559	16.5
133.10098	15.0
135.11700	11.2
137.05981	2.9
141.07025	5.4
143.08540	8.0
145.06485	4.0
145.10103	10.4
147.04471	3.0
147.11678	9.1
149.05984	8.9
149.13271	6.9
152.06148	4.6
153.06973	7.5
155.08553	6.9
157.06453	8.3
157.10120	5.4
159.11719	13.0
160.05115	2.4
161.05945	15.9
161.13277	8.0
163.07562	5.8
163.11215	2.8
163.14864	2.6
165.06973	8.7
167.08534	16.8
169.06454	10.2
169.10117	6.5
170.07298	2.4
171.08000	11.9
171.11685	6.3
173.04475	5.1
173.05948	37.6
173.13257	6.2
175.07536	10.2
175.14912	3.8
178.07822	4.3
179.08531	8.7
181.06468	15.6
181.10123	5.3
182.07224	4.5
183.08063	20.2
183.11621	4.7
185.05954	6.3
185.09586	6.2
185.13194	2.9
186.06702	2.8
187.07526	36.3
187.14786	3.8
189.09093	3.2
193.06439	3.7
193.10167	4.2
194.07278	8.9
195.08032	100.0
196.08527	3.4
197.05949	7.8
197.09624	33.2
198.06805	3.6
199.07489	26.6
199.11124	2.7
201.09129	13.0
203.08624	4.3
203.10620	2.9
205.10118	4.2
207.08029	10.6
207.11673	3.2
209.09641	16.7
209.13091	2.3
211.07573	13.3
213.09082	49.4
215.10678	6.6
219.08162	3.8
220.09009	2.9
221.09637	10.9
223.07483	6.0
223.11157	8.1
225.09074	11.6
227.10638	6.5
231.11682	2.9
233.09540	5.8
234.10394	2.8
235.07405	2.3
235.11177	8.4
237.09105	6.1
237.12799	3.0
238.09790	2.5
239.10649	7.5
241.12270	2.5
245.09590	3.8
247.11243	5.0
249.09077	3.7
249.12857	2.6
251.10672	3.9
253.12250	4.5
259.11197	3.2
259.20590	9.2
261.22095	6.8
263.10605	3.3
267.13773	2.5
279.17416	6.7
281.15356	2.9
284.14075	3.4
289.12796	2.6
289.15848	8.3
291.17349	6.3
295.16727	2.2
299.16391	6.1
299.23691	2.5
307.16861	45.7
309.18454	9.6
321.18539	4.9
323.16437	8.6
325.17987	38.3
327.19568	2.5
333.18277	5.3
333.24329	10.7
335.25745	69.8
336.26004	2.8
337.18002	6.4
337.27344	3.7
339.19263	2.8
341.17578	4.0
343.19113	13.3
345.18430	3.3
351.19455	3.9
359.18390	4.0
363.19650	8.7
365.21289	3.2
381.20547	11.0
383.22290	4.8
399.21707	18.5
417.22742	7.3
433.20316	2.3
549.37189	3.8
567.38251	9.2
585.39130	7.2
631.40552	4.2
633.41315	4.6
641.41626	15.4
651.42499	3.0
659.42810	22.5
677.44226	33.2
695.44745	2.6
821.48541	3.4
839.48810	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	839.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66275	0.1
61.02862	0.1
67.01856	0.4
67.05503	0.5
68.99754	0.3
69.03407	0.2
70.81759	0.1
70.82156	0.1
71.04989	2.7
71.95314	0.1
73.02916	0.1
75.04457	0.2
79.05472	0.3
81.03428	0.3
81.07053	0.5
83.04986	0.4
85.02902	3.3
87.04491	0.1
87.58556	0.1
91.05481	0.4
93.07036	0.4
95.04967	0.1
95.08591	0.3
96.20061	0.1
96.70487	0.1
97.02876	0.2
97.06495	0.1
99.04441	0.1
105.07029	0.2
107.08572	0.3
109.02874	0.1
109.10139	0.2
111.04452	0.3
117.05480	0.1
117.07008	0.1
118.62528	0.1
119.04937	1.5
119.08589	0.2
121.02869	0.6
121.10141	0.2
123.11723	0.2
127.03887	0.3
129.01804	0.1
129.05472	1.1
131.08560	0.2
133.10092	0.1
135.11646	0.1
143.08568	0.1
145.02834	0.6
145.10072	0.1
147.06558	0.1
147.11674	0.1
149.13252	0.1
150.79152	0.1
153.01826	3.2
159.11633	0.2
161.13275	0.1
163.03922	0.3
165.44080	0.1
171.01538	0.1
171.02895	1.3
173.13306	0.1
185.13307	0.1
187.03911	0.2
197.05913	0.1
203.07062	0.3
225.05409	0.3
229.05003	0.3
237.07596	0.1
243.06557	0.2
243.11771	0.1
243.21002	0.1
247.06085	0.2
259.20499	0.1
261.22208	0.3
265.19629	0.1
270.04971	0.1
271.05997	100.0
272.06317	1.7
273.22034	0.1
277.21686	0.1
283.05884	0.1
295.06033	0.1
303.23184	0.1
313.07117	0.5
315.22894	0.1
337.06918	0.1
338.76270	0.1
341.24524	0.1
369.24310	0.2
379.08023	0.1
387.25256	0.2
405.26266	0.2
675.31250	0.2
693.32513	0.6
839.38446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	34.7
67.05503	61.1
68.37449	3.2
69.03409	5.1
69.07057	9.8
71.58752	6.2
73.02916	20.2
79.05500	30.7
81.03424	4.9
81.07053	70.6
83.08610	6.5
85.02904	49.8
85.06546	4.4
91.03947	54.6
91.05468	18.7
93.07047	55.5
95.08598	55.6
97.02907	21.3
97.06542	4.4
97.10190	4.4
105.07021	14.5
107.08583	37.5
109.10135	36.6
115.03979	3.7
117.07027	7.8
119.08586	13.8
121.10118	28.9
123.11725	19.3
127.03896	22.1
131.08562	17.1
133.10118	11.5
135.11697	26.2
135.30452	3.5
137.13293	6.6
145.04953	31.3
145.10118	15.7
147.11676	13.0
149.13243	18.3
159.11688	13.1
161.13239	8.7
163.06003	55.1
163.14886	15.6
173.13277	20.3
177.16301	5.3
187.14836	10.1
193.04990	3.3
243.21101	38.3
261.22144	100.0
271.05966	3.5
279.23230	6.5
295.66641	3.2
322.91934	3.8
325.11240	6.3
335.25809	41.2
353.26837	61.2
405.25800	4.0
497.31076	15.9
620.94427	3.3
708.43848	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	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.8
65.03930	0.6
67.05501	6.9
69.03426	4.2
69.07066	1.9
69.53918	2.5
71.01346	0.6
71.04991	1.0
73.02908	4.8
79.05490	6.6
81.03399	2.3
81.07054	6.9
83.08608	0.8
85.02900	6.0
85.06556	0.7
87.04456	0.5
91.03951	4.3
91.05473	5.6
93.07031	5.7
95.04981	1.2
95.08600	4.9
95.09164	0.5
97.02892	6.0
97.06528	0.4
99.04456	1.4
101.02379	2.4
105.07024	4.0
107.08590	3.4
109.02874	0.9
109.06496	0.4
109.10162	1.4
115.03964	0.5
117.06989	1.5
119.08566	2.1
121.10152	1.8
123.08074	0.6
123.65629	0.4
127.03880	2.0
129.06976	0.7
131.08528	2.1
133.10115	1.6
135.11713	1.5
143.08618	0.8
145.10159	1.2
147.11720	1.1
149.13321	0.4
152.65631	0.4
156.40402	0.3
159.11670	0.7
161.13292	0.6
173.13350	0.4
175.66228	0.4
182.79944	0.3
185.04240	0.7
185.13281	0.7
203.05309	0.6
243.08356	3.0
247.13145	0.6
333.20279	3.8
335.25824	0.6
383.13763	0.5
389.23334	0.8
463.23367	0.5
465.20914	4.8
519.29272	6.1
519.36877	0.3
551.28235	6.8
706.75348	0.4
743.43140	2.0
829.50629	100.0
830.50830	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70449	0.6
61.02916	4.9
65.03946	0.6
67.05505	5.5
69.03429	4.7
69.07065	2.1
69.51183	5.9
71.05000	1.2
73.02923	4.6
77.17304	0.5
79.05496	3.9
81.03429	2.6
81.07064	6.5
83.04954	0.8
83.08609	0.6
85.02901	5.1
91.03953	3.0
91.05492	4.7
93.07040	6.2
95.04988	1.0
95.08618	3.6
97.02896	4.9
97.06518	0.7
98.20776	1.4
99.04483	1.1
101.02381	2.0
105.07029	2.5
107.08618	2.9
109.10157	1.6
117.07070	1.0
119.08609	2.3
121.10185	1.1
127.03948	1.5
133.10135	1.5
135.11752	1.3
145.10181	1.0
145.65010	0.6
159.11707	0.7
185.04303	1.3
192.66591	0.6
214.22974	0.6
243.08459	2.3
297.88351	0.7
333.20319	3.9
335.26010	0.8
380.11057	0.6
389.23331	0.8
408.29071	0.6
427.15631	0.7
519.29266	6.6
519.36206	0.9
551.28156	5.3
751.39636	0.7
829.50629	100.0
830.50641	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	827.333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	1.1
69.03411	1.8
69.07058	3.7
70.06570	1.0
71.04966	1.2
71.58488	0.8
79.05491	0.7
81.03374	1.6
81.07050	0.7
84.96077	0.8
85.02898	3.2
87.58355	0.6
91.05441	0.9
94.06557	5.7
95.04980	1.2
97.02888	1.5
98.97570	3.6
107.04935	1.0
108.08124	1.4
110.06032	0.8
112.07608	1.5
116.98648	1.9
118.06504	1.0
119.04873	0.8
121.10133	0.8
122.06008	19.7
123.04411	1.3
124.07603	1.0
127.03945	1.2
131.00172	1.4
133.10110	1.9
134.06021	1.9
134.99664	1.2
136.07555	1.2
137.05989	3.0
137.09608	1.6
138.05463	0.7
140.07050	31.7
144.04454	2.7
146.05998	10.4
147.04445	0.8
148.07567	2.3
152.07097	0.8
158.99663	1.3
160.07553	0.8
161.06033	0.7
162.05508	2.7
164.06940	0.7
165.06754	0.7
167.07062	1.2
172.03917	13.2
173.01218	0.9
173.04723	1.2
174.05479	15.3
174.06848	1.0
176.07050	7.8
177.00755	2.3
178.08678	0.8
186.09230	0.8
190.04982	3.9
191.02234	1.0
191.05678	1.9
191.07054	2.1
191.14296	1.4
192.06564	2.8
197.10828	1.2
198.09229	1.4
199.08705	1.3
201.10185	0.8
203.06683	0.7
204.06538	31.5
205.06821	1.2
206.08107	8.4
209.08018	0.8
209.15298	0.8
211.08574	1.4
212.09314	0.7
213.10278	2.0
215.11806	2.8
216.10310	0.8
219.01709	0.8
225.10181	2.6
226.08725	1.2
227.11722	1.1
237.02731	1.3
239.08020	0.9
239.11778	1.7
241.09801	1.4
243.11252	15.9
243.13615	1.2
249.10243	1.0
251.09599	1.0
251.11938	1.4
255.11224	1.1
256.12128	0.8
257.12872	1.2
259.10809	1.8
261.12073	0.7
264.09064	0.9
265.09708	2.2
266.10574	1.1
267.11270	2.0
269.10422	1.4
271.05963	4.4
271.10806	1.8
277.09576	0.8
279.11365	2.2
280.12076	0.7
281.09125	0.8
281.12643	0.7
283.10699	4.8
284.11398	1.4
285.12323	23.0
287.10315	4.2
287.13657	1.4
293.10495	0.7
295.10663	1.3
297.12253	1.5
299.10291	2.7
301.11737	3.1
302.12814	1.2
303.13370	33.6
304.14050	1.2
305.09323	0.9
311.10968	1.0
313.11765	22.0
316.11014	1.1
316.14423	1.2
318.16058	1.4
319.16772	1.6
323.10272	1.0
324.10858	1.0
325.12299	1.1
327.13470	0.8
330.12445	1.5
331.12863	10.5
332.13849	0.9
332.17740	0.8
343.13879	0.7
344.13977	2.0
345.14423	22.7
346.11203	0.7
346.15482	4.2
347.16434	2.2
353.12381	0.9
356.13824	1.0
358.11603	1.1
358.15543	2.0
360.17038	2.7
363.15207	3.2
368.13879	0.8
369.15057	0.8
370.15616	1.2
371.13312	2.4
372.13196	4.2
373.13934	3.1
374.14951	4.4
378.18030	0.9
384.17218	1.1
385.14291	1.2
386.14963	7.9
387.15805	6.3
388.16519	4.8
389.15042	0.9
390.18066	2.8
390.68130	1.1
398.14828	1.0
400.12775	1.6
402.14523	2.2
404.16165	2.5
405.17123	1.6
406.17560	5.1
413.14615	6.1
414.14456	5.5
415.15189	13.3
416.16010	22.2
417.16528	1.0
418.17651	1.7
420.17355	1.3
428.16388	2.5
429.16718	1.8
430.17896	4.1
431.18558	0.7
432.15735	2.1
433.16281	5.8
434.16977	3.8
438.14572	1.0
446.16998	5.8
447.17783	3.3
456.15527	4.5
457.15411	2.5
458.17252	2.3
460.15268	2.3
465.18610	4.9
474.16519	18.9
475.17203	9.7
476.18069	4.3
489.18884	1.4
506.19156	2.5
555.23547	0.8
573.23474	1.6
597.23309	6.3
615.24408	100.0
616.24506	4.7
629.26068	1.0
636.21613	0.8
647.27020	23.9
648.26654	0.9
668.25079	0.8
759.29346	0.9
777.29602	14.0
809.31982	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.0
65.03944	2.8
67.05502	89.8
69.03431	8.7
69.06715	1.9
69.07064	28.8
70.31387	1.0
71.04988	5.4
71.06223	2.7
71.08612	1.4
73.02908	1.1
79.05490	67.9
81.03419	8.5
81.07053	89.4
83.04983	10.9
83.08611	13.8
85.02901	6.4
85.06544	4.7
91.03931	2.5
91.04892	1.5
91.05478	48.0
93.07038	80.3
94.07323	1.3
95.04969	13.2
95.08602	58.1
97.02866	5.4
97.06523	10.7
97.10155	5.0
99.04471	1.5
99.08093	3.2
105.04498	1.5
105.07022	35.4
105.78296	1.1
107.04950	5.2
107.08585	43.0
109.02859	1.8
109.06533	5.8
109.09446	2.0
109.10150	24.1
111.04472	1.3
111.08077	6.9
113.09659	1.2
117.07004	15.7
119.08578	30.0
121.06482	2.6
121.10133	28.2
123.08076	4.0
123.11723	8.7
125.09608	2.5
127.03902	3.2
128.06203	1.4
129.05472	3.1
129.06975	6.9
129.07767	1.0
130.07767	1.5
131.08566	20.3
133.10118	25.6
135.08060	2.4
135.11673	20.4
137.09604	3.0
137.13232	1.3
138.44672	1.1
139.11205	1.9
141.07024	2.5
143.08556	4.1
145.05045	1.2
145.10123	17.4
147.07980	1.6
147.11670	14.2
149.09598	7.8
149.13243	13.8
151.11166	2.6
155.08522	2.3
157.10112	4.3
159.11684	15.3
161.13275	6.8
163.11137	7.2
163.14819	2.7
165.12677	2.0
167.08578	1.2
169.10092	2.9
171.11696	4.5
173.04454	3.1
173.11845	1.9
173.13223	7.9
175.11307	1.3
175.14804	3.0
177.12732	3.1
179.14325	1.6
180.04628	1.2
181.12268	1.5
182.32689	1.3
183.11702	2.1
185.13216	2.6
187.14815	3.4
189.16287	1.4
191.14256	1.5
195.13725	5.2
197.13281	2.8
199.14774	3.3
201.16328	1.2
213.12730	1.4
213.14668	1.5
213.16461	1.5
217.15926	3.0
219.17361	2.2
227.12837	2.0
229.14340	3.1
229.19571	2.6
239.18124	2.6
243.21127	3.2
247.20503	1.3
251.16431	1.2
255.15906	8.0
257.18973	5.9
259.20551	3.5
261.22150	13.1
267.15952	2.6
269.17438	31.4
275.20038	24.1
291.19406	1.8
293.21164	3.1
309.20670	5.2
317.24835	2.7
331.22675	2.6
333.24167	2.7
335.25781	100.0
336.26044	3.7
349.23727	25.6
367.24649	5.4
413.21677	1.6
437.33960	1.2
489.35715	2.5
515.37195	16.1
529.38849	75.8
530.39160	3.8
569.41815	10.5
609.36011	1.9
609.45117	28.2
627.46320	8.0
673.42041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22320	0.7
61.02913	3.1
65.03934	3.6
67.05500	68.1
68.05853	0.8
69.03427	5.5
69.07064	21.6
71.04999	3.8
73.02912	1.6
73.30791	0.8
77.03909	1.3
79.05487	55.9
81.03416	4.0
81.07051	72.3
83.04977	5.6
83.08612	13.1
85.02896	3.2
85.06529	6.3
91.05472	55.6
92.05773	0.8
93.07039	67.3
95.04957	10.2
95.08601	58.5
97.02885	2.9
97.06540	8.3
97.10175	6.6
98.21505	1.9
99.08076	6.6
103.05468	1.8
105.04552	0.9
105.07025	55.8
107.04952	3.9
107.08587	40.2
109.02888	1.7
109.06503	5.7
109.10152	20.3
111.08083	4.8
113.06008	2.3
113.09681	1.0
115.05423	3.4
116.06238	1.5
117.07006	30.2
117.07841	1.6
119.08572	46.4
119.40850	0.8
121.06529	2.2
121.10136	27.0
123.08075	4.6
123.11683	6.1
125.09628	5.0
127.03904	1.5
127.07555	1.0
128.06224	4.0
129.05498	1.7
129.06990	17.8
130.07773	1.7
131.08562	36.8
133.06494	2.1
133.10124	29.5
135.08034	2.9
135.11676	16.8
137.09595	2.2
137.13171	1.2
139.11194	0.9
141.06982	5.2
142.07759	2.3
143.08542	15.7
144.09381	1.4
145.06505	1.1
145.10118	39.0
146.10483	1.2
147.08060	2.1
147.11664	21.7
149.09598	8.5
149.13234	8.9
151.11160	2.2
153.06940	0.8
154.07727	1.3
155.08536	5.5
156.09331	0.9
157.10117	16.4
159.11688	38.1
159.13004	1.9
160.12129	1.1
161.09612	3.5
161.13240	12.3
163.11172	4.4
163.14850	2.8
165.12767	1.3
166.07773	0.8
167.08524	1.8
168.09361	1.2
169.10118	10.3
171.11679	8.7
173.09628	1.4
173.13239	16.9
173.14658	1.2
174.13669	0.9
175.11169	2.8
175.14786	6.6
177.12721	2.7
177.16380	1.4
181.10081	1.4
182.11018	0.9
183.11678	10.1
185.13242	28.8
186.13554	0.9
187.11217	1.5
187.14809	5.1
189.11235	1.8
189.12766	1.3
189.16330	1.2
191.14285	2.2
195.11702	2.0
197.13283	7.0
199.11244	0.9
199.14896	3.2
201.07550	1.4
201.12698	1.6
201.16446	4.4
201.18036	0.9
203.14314	11.1
203.18037	0.9
205.15898	3.2
209.13347	1.7
211.14838	3.7
213.16393	2.1
215.08997	1.1
215.14389	1.3
215.17902	2.0
217.15900	2.7
219.13928	1.0
219.17436	9.4
223.14870	1.2
225.16380	1.1
227.12807	2.7
227.17979	1.1
229.19476	4.2
233.15318	1.2
237.16379	1.7
239.17940	15.1
241.19560	2.4
243.20973	1.5
247.16951	0.8
255.17584	1.4
257.18991	37.7
259.17746	0.9
259.20511	7.1
261.22116	7.3
275.20047	44.0
277.21701	1.8
279.19495	1.6
281.21268	0.8
285.22278	0.9
291.19568	1.5
293.21069	1.6
313.21609	2.0
317.24521	1.6
331.22647	14.2
333.24210	6.4
335.25775	100.0
336.26154	2.9
349.23706	61.1
350.24057	1.3
351.25241	2.9
383.21759	1.2
463.35532	1.1
487.34109	1.0
489.35727	1.4
505.35617	1.5
513.35486	0.9
517.40027	2.4
529.38605	2.2
535.41455	1.8
537.38867	1.2
553.41901	1.0
555.40271	6.1
557.41998	2.7
569.41870	3.2
591.43976	3.1
609.45087	76.4
610.45459	4.8
627.46240	7.3
635.69012	1.0
651.45966	1.6
735.47717	1.2
771.50250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69544	1.8
61.02922	3.3
67.05501	40.6
69.03405	3.0
69.07062	17.3
70.69855	4.8
71.04991	4.6
77.52525	1.1
79.05486	21.9
81.03408	4.8
81.07054	92.0
83.04986	6.8
83.08613	11.9
85.02891	4.0
85.06547	5.8
91.05478	25.5
93.07037	16.4
95.04965	4.9
95.08607	20.9
97.02927	1.6
97.06555	6.9
97.10181	4.2
99.04446	1.5
99.08076	3.1
103.05477	1.7
105.07027	37.7
107.08588	14.0
109.06531	6.8
109.10160	3.0
111.08038	1.8
115.05475	2.7
117.06996	4.8
119.08579	30.5
121.10132	23.8
123.04441	7.3
123.08071	5.1
123.11713	29.4
127.07571	1.7
129.07004	4.7
131.04947	4.6
131.08569	4.3
133.10141	3.8
135.11661	2.0
137.13223	2.1
141.06981	6.8
141.09161	1.8
143.04950	2.7
145.06516	6.2
145.10117	2.5
147.04388	2.6
147.11685	60.4
149.05988	6.3
152.06186	3.1
153.07001	4.8
155.08583	7.6
157.06506	6.2
157.10132	6.1
159.08041	2.0
161.05992	12.2
163.07524	4.2
165.07007	7.9
165.12759	23.1
166.07753	2.4
167.08549	25.0
167.28098	1.4
169.06535	4.7
169.10130	3.5
171.08066	4.7
172.05165	3.2
173.05984	27.1
174.06696	2.2
175.07567	3.4
175.11171	2.7
179.08501	8.8
181.06470	15.5
181.10129	3.7
182.07278	3.1
182.36185	1.4
183.08067	13.3
183.13808	3.0
185.06013	4.3
185.09671	3.1
186.06880	3.2
187.07552	14.2
189.09145	3.5
193.10115	2.9
193.12263	4.5
194.07280	5.4
195.08055	100.0
196.08612	2.6
197.06030	2.1
197.09610	19.5
198.06796	3.4
199.07529	18.5
200.08331	2.4
201.09122	12.4
205.10184	2.8
207.08060	3.3
209.09663	6.9
211.07616	6.4
211.11220	2.2
211.13206	1.9
213.09100	52.6
214.09795	1.5
215.10628	2.6
219.07983	2.7
219.11606	2.6
220.08852	1.9
221.09621	9.8
223.07599	2.0
223.11205	8.1
225.09151	3.8
227.10664	4.0
229.14401	7.1
233.09636	3.4
235.11218	4.3
237.16483	1.6
239.10745	2.8
247.11169	2.9
248.12125	1.6
256.14670	4.7
263.14264	2.0
267.15909	64.8
279.17422	16.8
279.20172	1.9
284.14038	4.8
285.16965	99.1
286.17322	1.7
289.15829	6.2
297.18518	3.6
299.16315	2.8
307.16919	66.9
325.17966	52.5
333.18262	2.8
343.19089	12.3
345.18716	3.0
351.19598	1.9
354.51505	1.6
363.19589	15.7
381.20590	32.7
397.41931	1.5
399.21671	55.4
417.22714	31.7
440.13477	1.4
471.29034	2.7
499.28384	4.0
517.29254	7.1
535.30792	4.0
573.32269	3.1
591.33124	40.4
609.34155	34.4
627.35254	48.4
628.35669	2.0
644.93524	1.8
645.36206	2.1
768.86011	1.5
838.79572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.5
65.03937	2.3
67.05496	30.2
69.03414	6.3
69.07060	8.7
71.04979	4.1
79.05487	25.9
81.03413	70.0
81.07051	28.3
83.04961	11.6
83.08607	23.2
85.02892	27.8
85.06551	2.4
91.05476	31.7
93.07034	18.8
95.04961	28.5
95.08611	12.3
97.02913	4.3
97.06532	4.2
97.10175	5.2
103.05435	2.2
104.06866	1.9
105.07020	22.7
107.04961	7.0
107.08573	9.1
109.06507	4.9
109.10140	2.7
111.04429	2.7
111.08076	8.4
113.06022	3.6
115.05428	3.0
117.07013	6.2
119.08573	17.0
121.06572	1.9
121.09412	1.6
121.10126	10.0
123.04430	9.6
123.08078	4.0
125.09628	3.2
129.06999	13.2
131.04961	2.3
131.08569	14.6
133.06505	4.1
133.10143	8.1
135.11613	2.1
137.05997	1.8
141.06950	5.5
142.07744	4.0
143.04941	2.6
145.06482	6.1
145.10121	3.0
147.04427	3.0
147.08031	2.9
147.11670	14.8
149.05965	5.2
149.09570	9.4
153.06961	4.5
154.07791	2.4
155.08536	5.6
157.06471	3.3
157.10126	14.6
160.05261	1.7
161.05956	11.8
163.07512	4.5
165.07031	6.4
165.12801	3.5
166.07800	2.6
167.08562	18.9
169.06448	4.2
169.10178	2.8
171.08095	2.9
172.05229	2.8
173.05972	28.7
173.09576	2.0
175.07582	4.7
175.11182	13.0
179.08545	6.1
181.06477	8.9
182.07230	5.0
183.08060	10.6
185.05928	3.3
185.09647	4.0
187.07552	13.1
189.09116	4.4
193.10333	3.1
193.12238	55.3
193.13913	2.2
194.07314	2.7
195.08037	85.7
197.05890	3.3
197.09625	15.3
198.06709	3.2
199.07527	18.0
201.09154	9.0
203.08784	2.1
205.10153	1.8
207.08061	3.2
207.11470	1.6
208.08794	2.3
209.09622	7.1
211.07579	6.8
211.13283	100.0
213.09079	40.2
213.10989	3.1
215.10754	3.1
219.08087	2.7
221.09621	8.5
223.07509	2.1
223.11119	7.8
227.12758	2.3
233.09612	4.6
235.11116	2.7
237.12698	2.1
239.10689	2.6
247.11208	2.9
251.10713	2.0
256.14560	2.7
267.15887	45.3
279.17502	14.0
284.14093	6.6
285.16946	95.2
289.15860	6.7
297.18539	2.3
305.18765	1.8
307.16907	58.7
308.17410	2.0
321.15042	1.8
321.18561	4.3
323.16431	3.4
325.17972	53.0
325.29892	1.8
333.18460	4.2
337.17877	2.4
343.19159	12.6
345.18344	6.2
347.20242	2.2
351.19492	4.2
363.19501	24.6
381.20538	36.2
399.21674	57.0
417.22641	36.7
419.24799	1.9
471.28970	2.6
481.27127	7.6
499.28360	20.2
517.29413	7.0
573.32159	12.1
591.33081	36.3
609.34186	34.2
627.35254	36.9
628.35577	2.1
791.44244	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.7
67.05494	2.8
68.05007	1.6
68.19733	1.0
69.07063	8.6
69.64534	7.4
80.05011	1.2
80.29637	1.1
84.08140	1.7
85.02920	5.9
91.05469	1.5
94.06557	19.6
95.04961	3.4
97.02894	1.8
106.06565	2.9
108.08131	5.0
110.06020	1.7
112.07616	4.4
116.04977	1.5
118.06564	1.3
120.04446	1.4
120.08128	4.1
122.06021	53.3
123.04404	2.1
124.07601	2.9
127.03950	1.6
134.06004	14.6
136.07593	6.5
137.06006	2.4
140.07054	100.0
144.04436	3.8
145.04970	1.1
145.78529	1.1
146.06003	26.2
146.09589	1.4
147.06755	5.2
148.07561	28.7
150.09126	1.8
152.07076	4.3
160.07573	3.3
161.05978	1.2
162.05511	7.4
164.07045	8.8
166.08617	9.5
167.07025	1.7
167.98311	1.1
172.03920	41.4
173.04707	2.9
174.05492	40.2
174.09090	2.0
175.06216	1.6
176.07063	74.8
177.07445	2.0
180.06558	2.4
188.07088	4.4
190.04955	11.9
190.08565	2.6
191.05721	9.5
192.06509	9.1
193.07411	3.3
194.08133	15.8
196.09763	1.6
200.07091	1.8
202.08533	1.7
204.06549	70.0
205.07205	1.7
206.08089	19.5
207.08488	1.2
208.05978	2.7
208.09662	18.0
212.09274	1.2
213.10388	1.8
214.08650	1.4
216.06595	2.4
216.10120	2.0
218.08182	2.9
220.06088	1.4
220.09882	2.3
221.10773	2.3
221.60042	1.3
222.07561	6.6
224.09108	1.9
225.10257	4.5
226.08548	1.2
227.11826	2.3
230.08147	2.1
232.06140	1.1
232.09633	3.3
234.07590	2.7
234.11522	2.0
235.08736	1.7
235.12398	1.6
236.09267	5.2
236.12984	1.5
237.10178	5.7
238.10982	4.6
239.11848	7.0
241.13434	1.5
243.11221	6.1
244.09702	3.4
246.07649	3.2
248.09274	4.7
249.10176	5.6
250.10966	4.1
251.08095	1.7
251.11758	9.4
252.08655	1.4
252.12415	2.4
253.09581	3.0
253.13422	2.1
254.10356	5.3
255.11395	1.3
260.09106	1.6
261.10028	2.4
261.12454	2.9
262.07404	1.6
262.10974	4.1
263.11777	11.0
264.08899	3.1
264.12567	2.6
265.09671	16.4
265.13129	7.1
266.10507	10.2
267.11325	13.3
268.12021	1.8
269.12805	1.5
270.61874	1.2
271.14432	3.2
272.05600	1.1
275.11795	2.7
277.09723	6.6
277.13187	2.3
278.10269	13.4
279.11240	39.5
280.08493	1.8
280.11935	8.2
281.09329	1.7
281.12854	6.2
282.09473	1.9
283.10995	3.3
283.14255	1.7
284.11597	3.0
285.12430	9.8
287.13879	22.0
289.09839	3.0
290.10501	1.9
291.11182	14.0
292.12076	4.4
293.09256	5.2
293.12857	8.3
294.09845	5.3
294.13211	2.1
295.10648	9.7
295.14163	2.9
296.11273	32.2
296.14465	2.4
297.12354	25.1
298.09836	1.3
298.12918	5.8
299.13815	2.7
300.12250	1.4
302.10623	1.5
303.13885	7.3
304.08569	1.5
304.12119	2.0
305.09198	7.3
305.12729	4.3
306.10028	6.9
307.10727	14.4
308.11493	4.3
309.12354	25.6
310.13116	5.2
311.10278	2.7
311.13904	5.7
312.10751	3.2
313.11826	28.0
313.15265	1.8
314.12411	15.0
315.13864	5.7
317.09341	1.7
317.12805	2.3
318.09860	2.7
319.10773	22.1
319.14395	2.6
320.11417	2.4
321.12283	18.6
322.13113	10.0
323.10214	5.8
323.13943	5.6
324.10977	12.8
325.11841	8.5
326.12704	2.2
327.13351	2.5
331.13168	11.0
332.11594	1.4
333.12381	2.8
335.10211	4.8
335.13998	2.9
336.10962	3.1
337.11780	29.5
338.12561	7.6
339.13367	25.7
340.14072	4.2
341.15118	2.3
345.14801	16.2
347.10287	2.6
347.16153	6.8
348.11099	2.1
349.11722	7.6
350.12506	1.8
351.13373	4.8
353.11240	2.4
353.15369	2.1
354.12256	2.1
355.13138	1.9
356.13721	1.3
357.14618	2.4
359.10190	2.9
360.11096	1.6
361.11694	3.8
363.13162	3.0
365.11169	8.0
365.15262	2.0
366.12097	4.5
367.12823	9.0
368.13583	3.3
369.14355	8.9
370.15082	2.7
371.16083	3.5
372.13443	2.6
373.12076	3.5
374.15076	2.8
375.13351	3.2
377.11221	5.1
378.12057	2.6
379.12845	8.2
381.14471	3.4
382.15182	1.7
383.12238	7.8
384.12784	1.6
385.13965	2.7
387.15854	1.9
388.16736	2.6
389.11224	2.4
390.12363	2.0
391.12820	7.3
393.14493	3.2
395.12320	4.2
396.13116	2.2
397.13800	7.3
398.14688	1.7
399.15533	3.6
400.16620	3.5
403.12729	2.5
405.14517	3.8
407.12311	3.6
408.13065	3.7
409.13928	11.5
410.14951	2.0
411.15567	3.3
416.16034	13.4
417.16327	1.6
419.12390	4.6
420.12695	1.6
421.13913	3.7
423.15494	3.9
425.13565	3.8
426.14392	2.5
427.15082	4.6
433.14047	5.0
434.14984	3.2
435.16010	1.6
441.16833	1.5
449.13519	7.1
450.14087	3.2
451.14874	9.2
458.17010	2.4
459.17599	3.6
467.14471	10.7
468.15161	9.8
469.15961	10.4
470.16800	11.8
471.19202	1.6
476.18158	7.9
478.19751	3.0
480.21194	4.7
485.15286	11.4
486.16196	4.6
487.17056	17.4
488.17371	2.4
500.17487	2.0
517.17865	2.1
519.19409	2.6
524.20044	4.3
526.21027	1.8
536.19971	2.6
538.21851	2.3
549.16913	2.1
556.22443	2.8
560.19910	5.4
564.23297	3.4
568.22443	2.0
574.21869	5.0
576.23273	2.5
582.24542	14.4
590.21149	8.7
592.22913	8.8
599.24866	4.2
600.25098	3.2
608.22321	81.5
609.22620	5.1
610.23975	22.3
617.25665	8.8
622.23926	4.6
623.24170	1.8
624.24646	2.4
626.23358	46.6
627.23456	3.5
628.24945	42.3
629.25055	1.9
635.27148	2.0
640.24915	66.9
641.25500	10.5
642.26563	13.8
644.24323	2.8
648.42834	1.5
649.28522	1.6
658.26172	15.1
660.27551	18.4
747.27924	5.2
765.29651	5.8
783.30542	15.1
784.30078	1.5
815.33130	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	813.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07027	1.4
71.04983	1.7
71.61025	1.5
79.05488	1.6
81.03413	2.0
81.07050	2.0
83.04967	1.2
85.02900	2.9
86.09710	1.0
91.05479	2.1
91.44679	1.1
93.07024	1.8
94.06578	1.8
95.04950	1.8
95.08631	1.3
96.04554	1.2
99.46666	1.0
103.05480	7.7
105.07034	1.4
107.04948	2.0
107.08625	1.1
108.08084	1.5
110.06017	1.3
111.04439	1.0
115.61362	1.0
119.04890	2.0
119.08572	1.4
120.37539	1.0
122.06050	2.1
123.04426	3.4
131.04921	8.3
131.42868	1.0
133.10091	1.8
136.07576	3.0
137.05966	6.6
140.07060	4.3
147.04399	4.1
149.05974	5.0
151.03886	2.3
163.03915	1.6
163.07539	1.7
167.07031	2.5
172.07608	1.0
172.13257	1.0
175.03877	1.3
177.05475	1.4
179.07065	1.3
187.03888	1.4
207.06499	2.7
234.11476	2.3
235.12292	2.7
237.10106	1.9
237.13928	2.1
239.11766	2.1
247.08557	1.3
247.12425	1.6
248.09410	3.4
248.12982	1.3
249.10207	8.7
249.14001	2.3
250.10997	4.9
251.11848	4.2
252.12584	1.2
253.13484	1.6
261.10193	7.2
261.14011	1.3
262.10962	9.2
263.11798	33.0
264.12540	4.3
265.09766	3.3
265.13342	8.3
273.10245	2.5
274.10846	3.0
275.08792	1.6
275.11807	9.3
276.12537	1.3
277.09787	8.8
277.13242	2.9
278.10468	3.0
279.11295	18.4
281.12872	4.6
283.14551	1.1
287.11832	3.1
288.12674	1.7
289.09717	17.6
289.13025	2.3
290.10550	3.3
291.11288	19.0
291.14447	2.1
292.12003	4.9
293.09222	2.7
293.12872	8.8
295.10822	11.4
295.14041	1.8
296.11313	1.1
297.12323	3.4
302.10516	2.5
303.11346	3.3
307.10742	4.1
309.12335	26.2
310.13062	2.4
311.13831	4.5
319.10818	9.8
320.11591	3.5
321.12308	15.1
322.12927	1.5
323.10468	1.2
323.13840	6.8
325.12073	2.1
331.11810	1.1
333.12262	3.8
334.12814	1.7
335.10379	3.1
335.13986	1.8
336.10989	14.3
337.11801	42.9
338.12555	10.3
339.14691	1.3
341.12817	1.3
349.11951	6.2
350.12805	3.7
353.11221	9.5
354.12314	6.0
355.12851	10.6
356.13400	1.0
363.13373	2.2
364.11743	1.7
365.12787	3.4
366.12344	2.0
367.13501	11.7
368.14255	4.2
369.15521	5.6
370.16000	1.9
377.12552	1.1
379.14365	6.8
381.14230	18.9
382.13480	6.6
383.13913	12.3
384.14713	3.7
392.13632	1.2
393.14914	1.9
394.13593	1.7
395.13965	17.6
396.14542	11.3
397.15512	22.4
398.15945	4.0
399.17282	1.5
409.11426	1.6
409.16028	2.1
410.12183	2.5
411.12582	6.7
411.17712	2.9
415.16367	1.5
423.13293	3.3
424.13983	1.5
425.14999	14.1
427.16501	3.9
437.14835	5.1
438.15012	1.5
439.16644	2.0
441.14453	2.0
442.15347	3.0
443.16049	10.9
450.20282	2.3
455.16034	40.0
456.16531	8.2
457.17493	17.9
458.17773	2.9
465.14688	1.9
471.19135	5.3
474.16626	2.9
475.17438	5.6
476.18002	1.9
478.19925	8.8
483.15546	37.0
484.16022	5.7
485.16763	4.7
488.17685	1.8
489.20218	3.7
490.19754	9.2
492.17447	3.1
493.18616	6.6
494.19058	15.4
496.20593	3.4
501.16507	8.6
502.17389	3.0
503.18179	1.2
506.19284	5.0
508.20828	5.4
510.22241	8.3
515.18134	100.0
516.18890	48.3
517.19519	6.9
522.22382	32.1
533.18732	2.6
589.26489	1.3
597.23370	3.8
609.22845	1.2
615.24481	14.5
624.23169	3.5
629.26117	1.7
630.27930	1.6
633.25525	48.3
636.23010	1.5
640.22186	1.8
642.24182	7.1
645.25873	5.7
656.26013	83.3
657.26050	4.2
665.27643	2.1
672.25574	12.1
674.16083	1.8
674.27075	28.9
677.27515	3.4
777.31592	1.5
790.21454	1.2
813.32477	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	2.1
57.03434	23.5
57.07075	4.3
57.22676	1.8
58.84560	1.5
61.02915	3.7
65.03947	2.8
67.05501	87.4
69.03406	3.1
69.07061	22.3
71.04990	3.9
71.60896	3.0
79.05488	64.2
81.07053	90.0
83.04988	4.7
83.08617	15.1
85.02891	5.3
85.06543	7.8
91.03968	2.2
91.05478	56.9
93.07037	85.1
95.04987	10.4
95.08599	80.4
97.02886	4.9
97.06520	6.7
97.10142	4.4
99.08074	2.6
101.32610	2.0
105.07021	45.7
107.08585	58.7
109.06499	5.6
109.10152	34.5
111.08060	3.9
117.06998	14.9
119.08575	36.1
120.40224	1.8
121.06443	2.2
121.10134	42.7
123.08064	6.0
123.11715	5.8
125.09625	2.1
129.06989	6.7
131.08556	27.9
133.10120	36.7
135.08003	3.0
135.11687	26.9
137.09636	3.8
141.07063	2.2
143.08546	7.4
145.10114	21.6
147.11681	23.1
149.09633	2.6
149.13260	14.8
157.10144	7.2
159.11673	18.6
161.13239	16.6
163.14804	3.4
171.11703	6.5
173.13304	11.4
175.14841	6.5
177.12770	3.0
185.13264	6.1
187.14787	12.3
197.13287	2.8
199.14851	4.8
201.16441	2.8
205.16003	3.2
205.43472	2.1
239.18091	2.1
241.19591	9.2
259.20544	22.8
261.22177	7.3
277.15649	2.2
277.21588	18.4
293.21127	4.3
315.23270	3.0
317.24771	2.8
333.24216	16.4
335.25766	100.0
336.26279	2.9
339.23114	2.1
351.25317	42.1
421.25470	2.0
529.38507	3.9
593.45392	3.4
611.46649	39.1
729.16602	2.1
750.29498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07027	1.4
71.04983	1.7
71.61025	1.5
79.05488	1.6
81.03413	2.0
81.07050	2.0
83.04967	1.2
85.02900	2.9
86.09710	1.0
91.05479	2.1
91.44679	1.1
93.07024	1.8
94.06578	1.8
95.04950	1.8
95.08631	1.3
96.04554	1.2
99.46666	1.0
103.05480	7.7
105.07034	1.4
107.04948	2.0
107.08625	1.1
108.08084	1.5
110.06017	1.3
111.04439	1.0
115.61362	1.0
119.04890	2.0
119.08572	1.4
120.37539	1.0
122.06050	2.1
123.04426	3.4
131.04921	8.3
131.42868	1.0
133.10091	1.8
136.07576	3.0
137.05966	6.6
140.07060	4.3
147.04399	4.1
149.05974	5.0
151.03886	2.3
163.03915	1.6
163.07539	1.7
167.07031	2.5
172.07608	1.0
172.13257	1.0
175.03877	1.3
177.05475	1.4
179.07065	1.3
187.03888	1.4
207.06499	2.7
234.11476	2.3
235.12292	2.7
237.10106	1.9
237.13928	2.1
239.11766	2.1
247.08557	1.3
247.12425	1.6
248.09410	3.4
248.12982	1.3
249.10207	8.7
249.14001	2.3
250.10997	4.9
251.11848	4.2
252.12584	1.2
253.13484	1.6
261.10193	7.2
261.14011	1.3
262.10962	9.2
263.11798	33.0
264.12540	4.3
265.09766	3.3
265.13342	8.3
273.10245	2.5
274.10846	3.0
275.08792	1.6
275.11807	9.3
276.12537	1.3
277.09787	8.8
277.13242	2.9
278.10468	3.0
279.11295	18.4
281.12872	4.6
283.14551	1.1
287.11832	3.1
288.12674	1.7
289.09717	17.6
289.13025	2.3
290.10550	3.3
291.11288	19.0
291.14447	2.1
292.12003	4.9
293.09222	2.7
293.12872	8.8
295.10822	11.4
295.14041	1.8
296.11313	1.1
297.12323	3.4
302.10516	2.5
303.11346	3.3
307.10742	4.1
309.12335	26.2
310.13062	2.4
311.13831	4.5
319.10818	9.8
320.11591	3.5
321.12308	15.1
322.12927	1.5
323.10468	1.2
323.13840	6.8
325.12073	2.1
331.11810	1.1
333.12262	3.8
334.12814	1.7
335.10379	3.1
335.13986	1.8
336.10989	14.3
337.11801	42.9
338.12555	10.3
339.14691	1.3
341.12817	1.3
349.11951	6.2
350.12805	3.7
353.11221	9.5
354.12314	6.0
355.12851	10.6
356.13400	1.0
363.13373	2.2
364.11743	1.7
365.12787	3.4
366.12344	2.0
367.13501	11.7
368.14255	4.2
369.15521	5.6
370.16000	1.9
377.12552	1.1
379.14365	6.8
381.14230	18.9
382.13480	6.6
383.13913	12.3
384.14713	3.7
392.13632	1.2
393.14914	1.9
394.13593	1.7
395.13965	17.6
396.14542	11.3
397.15512	22.4
398.15945	4.0
399.17282	1.5
409.11426	1.6
409.16028	2.1
410.12183	2.5
411.12582	6.7
411.17712	2.9
415.16367	1.5
423.13293	3.3
424.13983	1.5
425.14999	14.1
427.16501	3.9
437.14835	5.1
438.15012	1.5
439.16644	2.0
441.14453	2.0
442.15347	3.0
443.16049	10.9
450.20282	2.3
455.16034	40.0
456.16531	8.2
457.17493	17.9
458.17773	2.9
465.14688	1.9
471.19135	5.3
474.16626	2.9
475.17438	5.6
476.18002	1.9
478.19925	8.8
483.15546	37.0
484.16022	5.7
485.16763	4.7
488.17685	1.8
489.20218	3.7
490.19754	9.2
492.17447	3.1
493.18616	6.6
494.19058	15.4
496.20593	3.4
501.16507	8.6
502.17389	3.0
503.18179	1.2
506.19284	5.0
508.20828	5.4
510.22241	8.3
515.18134	100.0
516.18890	48.3
517.19519	6.9
522.22382	32.1
533.18732	2.6
589.26489	1.3
597.23370	3.8
609.22845	1.2
615.24481	14.5
624.23169	3.5
629.26117	1.7
630.27930	1.6
633.25525	48.3
636.23010	1.5
640.22186	1.8
642.24182	7.1
645.25873	5.7
656.26013	83.3
657.26050	4.2
665.27643	2.1
672.25574	12.1
674.16083	1.8
674.27075	28.9
677.27515	3.4
777.31592	1.5
790.21454	1.2
813.32477	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02895	0.5
56.14145	0.5
57.03432	1.2
61.02924	5.8
67.05499	5.5
69.03425	3.5
69.07063	1.3
69.38981	3.8
72.20643	0.5
73.02917	4.3
79.05499	3.0
81.03403	1.9
81.07046	5.3
83.04952	0.5
85.02898	4.9
91.03941	4.7
91.05471	1.7
93.07047	3.2
95.04935	0.6
95.08602	4.8
97.02892	5.5
98.20773	1.2
99.04450	1.4
101.02405	2.3
105.07059	1.1
107.08591	1.8
109.02865	0.6
109.10154	1.5
115.03929	0.8
117.07026	0.5
119.08570	1.2
121.10144	1.7
127.03900	1.7
133.10190	0.9
135.11710	2.0
138.99309	0.6
145.10150	0.6
149.13228	0.6
185.04259	0.9
243.08502	2.0
335.25784	0.7
401.65811	0.5
510.92670	0.5
519.29279	12.5
547.49152	0.5
797.51660	100.0
798.51520	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	799.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	16.5
57.07076	22.9
59.04980	0.9
61.02925	62.6
65.33459	0.7
67.05504	7.1
69.03426	22.1
69.07072	5.4
69.45364	5.7
69.45781	1.6
71.01346	2.6
71.04987	3.0
71.08627	18.6
73.02917	17.6
75.04466	1.6
79.05491	1.2
81.03413	17.9
81.07059	10.0
82.63247	0.9
83.01334	1.1
83.04987	2.8
83.08607	8.0
85.02904	83.4
85.10172	9.5
87.04449	2.6
89.06021	0.8
91.03954	43.8
91.05503	1.0
93.07027	0.9
95.04925	1.3
95.08611	13.6
97.02889	61.4
97.10152	3.0
99.00800	0.9
99.04453	10.9
99.11725	1.2
101.02381	5.1
103.03950	10.3
107.08553	0.9
109.02879	10.8
109.10142	7.4
111.04422	2.1
111.11733	0.8
115.03928	6.1
117.05487	2.3
121.10214	1.0
123.11712	2.6
125.68385	0.8
127.03916	31.9
129.05539	4.2
137.05968	0.8
137.13249	1.6
144.25021	0.7
145.04951	22.4
146.80849	0.7
151.14806	0.9
155.07036	1.6
159.06541	3.3
163.06001	17.5
168.06564	1.0
171.06537	1.7
173.04485	0.8
176.52965	0.7
183.06531	15.5
183.08049	1.5
201.07567	11.0
219.08623	2.6
239.23705	12.4
257.24817	2.0
280.72540	0.7
311.25821	0.8
313.27353	100.0
314.27570	1.4
331.28305	3.4
341.26901	5.3
355.24686	0.9
355.28296	5.1
367.28537	1.7
383.27911	3.1
385.29538	2.2
397.29703	3.6
409.29697	1.1
421.29495	2.6
439.30563	5.5
457.31570	24.9
475.32669	5.4
486.58588	0.8
799.43158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05509	14.9
57.03187	0.6
57.03436	9.3
57.07071	2.5
61.02925	2.4
65.03942	2.9
67.05501	63.8
68.05791	0.6
69.03410	1.3
69.07065	14.6
70.92976	1.1
70.93315	1.0
71.04965	1.5
71.08627	0.6
73.02940	0.9
79.05489	36.2
81.03404	0.7
81.07053	58.5
82.07339	0.7
83.04992	0.9
83.08612	6.9
85.02894	2.9
85.06526	1.4
88.60045	0.5
90.22398	0.5
91.03938	1.5
91.05474	23.3
93.07037	45.9
95.04964	5.0
95.08601	42.2
97.02899	1.5
97.06536	2.9
97.10161	2.7
99.08102	1.0
105.07027	17.8
107.08588	24.0
109.06486	1.3
109.10148	20.6
111.08102	1.3
111.11715	1.1
113.09631	0.7
116.06158	0.5
117.07008	7.5
119.08569	14.3
121.10136	19.7
123.08054	0.9
123.11699	7.0
129.06992	1.5
131.08568	11.7
133.10127	13.5
135.11690	11.9
137.09601	0.9
137.13239	2.1
139.11180	0.6
143.08536	1.4
145.10114	9.6
147.11674	8.4
149.12155	0.8
149.13252	9.1
151.14734	0.6
153.12758	0.8
157.10126	1.6
159.11687	6.3
161.13251	7.7
163.14819	3.9
165.12776	0.9
168.21678	0.5
169.10175	0.5
171.11690	1.9
173.13258	7.5
175.14873	2.6
176.04523	0.5
177.16379	1.2
179.14331	0.6
179.26259	0.5
183.11679	0.9
185.13258	2.4
187.14780	3.8
189.16357	1.2
199.14841	1.6
201.16344	1.1
213.16557	1.2
217.19548	0.9
231.21066	1.1
233.22647	1.1
241.19585	2.2
243.21021	5.0
245.22644	0.6
257.19086	1.0
259.20569	7.8
261.22144	16.9
262.39697	0.5
263.23770	1.6
273.22113	0.6
277.21585	0.8
279.23160	0.8
291.23016	0.7
315.23138	0.6
317.24738	2.2
333.24179	6.2
335.25784	100.0
336.26117	2.2
337.27289	11.1
351.25528	0.7
355.10141	0.6
383.70566	0.6
437.33939	0.5
521.43585	1.5
539.44757	0.7
543.40637	0.6
595.47192	15.5
613.38861	0.9
613.48248	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	789.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.0
55.05512	29.0
57.03431	14.3
63.03279	3.4
67.05495	39.9
69.03433	19.1
69.07085	18.3
69.54356	7.8
69.54762	32.8
71.05001	6.7
74.70190	3.6
79.05494	32.5
81.03414	92.3
81.07053	55.8
83.04980	25.4
83.08610	22.7
85.02908	22.0
85.06541	6.7
91.05471	35.3
93.07053	27.2
95.04947	32.6
95.08612	21.7
97.02901	16.0
97.06506	8.5
97.10177	8.3
99.04479	4.7
105.07012	33.9
107.04990	9.8
107.08599	13.7
109.02860	11.4
109.06506	7.9
109.10163	8.8
111.04430	7.8
111.08083	12.8
115.05497	5.0
119.08588	25.9
121.06512	4.2
121.10143	20.4
123.04428	10.6
123.08071	8.3
123.11699	11.8
125.09613	8.0
127.03910	9.0
129.05484	10.1
129.06996	14.0
131.08592	10.7
133.10132	15.1
141.06964	5.2
145.06473	8.3
147.04420	4.5
147.08104	5.5
147.11673	28.7
149.05995	6.4
149.09586	6.4
153.06949	8.1
155.08562	11.2
157.10153	14.1
161.05981	12.8
163.07533	6.3
163.11171	4.3
165.07016	8.7
165.12781	13.0
167.08583	17.1
169.10065	5.3
173.04550	6.6
173.05959	35.6
175.07527	9.6
175.11247	8.8
179.08492	7.5
181.06480	10.8
181.10143	6.0
183.08104	14.9
185.05981	6.1
187.07553	25.4
189.09116	5.6
193.12218	42.7
194.07330	7.4
195.08052	100.0
196.08467	4.5
197.06085	5.4
197.09595	16.1
198.06674	4.5
199.07568	24.6
201.09102	18.9
209.09695	6.9
211.07585	10.2
211.11285	7.4
211.13255	54.0
213.09071	56.6
215.10652	9.2
221.09587	14.4
223.07463	4.7
225.08881	6.1
227.10757	5.0
227.12805	6.2
233.09695	6.2
235.11162	5.0
237.09045	8.8
239.10684	6.7
267.15887	39.4
279.17496	10.8
284.14322	4.2
285.16965	46.5
289.15924	4.6
299.16605	11.3
307.16922	63.9
323.16382	4.0
325.17990	46.3
343.19022	17.3
363.19379	22.1
381.20657	23.1
399.21765	29.3
415.19070	4.1
417.22659	23.3
429.21170	13.7
481.27505	7.7
499.28613	13.3
517.30035	5.6
573.32050	8.8
583.32147	4.5
591.25470	4.4
591.33246	37.0
607.32800	5.3
609.34064	38.1
627.35284	21.4
753.38635	8.7
771.38428	14.8
789.39777	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	784.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05029	0.7
61.02916	1.1
63.06120	0.2
67.05503	1.6
68.05033	0.4
68.68149	0.2
69.03422	0.5
69.07063	1.2
69.44365	0.4
69.44769	2.0
71.08617	1.0
73.02907	0.5
77.03973	0.2
79.05472	0.6
81.07047	1.9
83.08612	0.2
85.02902	1.0
86.09702	100.0
86.45274	0.2
87.10033	0.3
91.03958	1.0
91.04972	0.3
91.05486	0.9
93.07035	1.1
93.53810	0.2
95.04971	0.3
95.08588	1.2
97.02892	1.1
98.09685	1.5
103.05461	0.7
105.07033	1.5
107.08591	0.5
109.10176	0.5
110.09634	0.3
112.11239	7.3
114.09164	0.3
119.08600	0.3
120.08099	43.2
121.08451	0.5
121.10119	0.4
123.11690	0.3
127.03957	0.4
132.08112	0.5
133.03468	0.7
133.10095	0.3
134.03554	0.3
146.09637	2.5
151.04575	0.5
154.15901	19.4
157.03452	0.3
157.13358	10.6
161.02951	0.6
162.03067	0.2
167.11783	0.4
173.02962	0.4
175.04553	0.3
185.12851	13.5
186.13170	0.2
187.04617	0.4
188.14334	6.5
191.11792	0.6
199.18048	16.2
207.57607	0.2
209.16557	0.4
219.11256	1.5
225.19601	6.6
225.21638	0.4
227.17538	14.2
233.16472	17.8
235.18083	0.4
237.15945	0.4
243.14998	0.7
253.19098	7.5
259.18048	1.9
261.15976	14.9
267.24298	8.5
277.22733	0.4
278.65488	0.5
280.20276	0.5
287.17508	2.7
290.16516	0.3
295.23810	4.4
298.21240	8.1
301.20047	1.7
301.22845	7.5
302.20233	1.2
303.20242	0.4
305.27216	0.3
311.21210	0.6
319.21228	0.8
320.21320	0.3
322.24991	0.4
329.22189	5.3
332.19662	5.7
332.23453	0.4
340.25937	3.0
356.23370	0.6
357.22025	0.3
366.27509	2.5
368.25763	0.3
374.24319	4.2
374.28711	0.3
383.30243	1.4
400.25897	3.3
402.24023	0.3
408.32397	0.6
411.29651	5.0
417.28705	1.5
425.34723	0.7
439.29153	0.4
442.30533	1.6
442.40396	0.2
445.28076	5.0
445.78220	2.3
446.28290	0.9
453.34402	1.1
459.33560	0.9
473.27805	0.3
479.35950	2.0
487.32751	2.7
496.38803	0.9
497.31512	0.3
513.34503	3.7
524.38049	4.1
526.30878	1.3
526.80804	3.9
527.31000	2.8
527.38727	0.4
527.80762	0.7
530.36969	2.5
537.29376	0.7
538.29443	0.5
555.38867	1.7
558.36481	9.2
572.41943	0.7
586.36346	0.5
592.44507	1.2
598.43463	0.5
600.40936	2.0
609.46887	0.6
626.42725	6.2
637.46484	2.8
643.45392	5.4
653.43866	0.8
668.47241	0.8
671.44873	20.0
672.45160	0.6
699.44714	0.5
711.51990	0.6
713.49573	0.6
739.51038	4.0
756.53723	8.4
757.53015	0.3
766.52173	2.6
784.53265	12.9
785.53577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05506	1.2
57.03403	1.5
61.02895	2.2
61.90551	1.2
64.48353	1.2
65.03925	3.0
67.05492	2.9
69.03424	8.6
69.90748	2.3
69.91170	5.0
71.04958	1.1
73.02888	2.3
79.05470	1.4
81.03404	5.1
81.07061	2.6
85.02906	21.7
87.04410	1.1
90.06645	1.3
91.05465	3.9
93.03351	2.0
93.07025	1.6
95.04964	2.5
95.08605	1.9
97.02885	9.4
97.51949	1.1
98.20763	2.2
103.05448	1.9
105.07022	2.4
107.04913	1.5
107.08598	1.4
109.02859	2.9
109.10135	1.8
110.03643	1.5
111.04436	4.0
115.05419	1.2
119.04916	3.0
119.08577	1.7
121.02805	1.6
121.06540	1.7
125.05987	3.0
127.03888	5.1
131.04915	2.1
131.08589	1.2
133.10114	1.5
135.08086	1.1
137.05942	5.7
139.03889	40.5
141.06979	1.7
145.02831	1.3
145.04948	3.9
145.10109	1.7
147.04424	1.7
149.02332	1.3
149.05966	1.6
151.03899	2.0
151.07516	2.0
153.05452	4.8
159.08083	1.9
159.10234	2.2
161.05954	4.0
161.09610	1.4
163.03920	1.7
163.07611	1.2
165.05475	2.2
167.02115	1.7
167.03404	17.0
167.07016	4.4
169.06392	2.1
175.03894	19.2
175.07538	1.5
177.05478	9.9
179.07045	2.2
185.04428	8.9
187.03896	2.9
187.07437	1.8
191.07033	1.5
197.06007	2.5
203.06960	2.1
205.08652	2.1
207.06523	1.6
237.09163	1.7
240.07658	2.0
241.04961	1.3
243.06480	18.5
249.05611	1.3
249.08992	2.1
251.06978	1.1
253.08548	3.1
259.07718	2.3
260.08197	2.7
261.05426	1.8
271.07632	2.1
271.11139	1.9
275.07028	2.8
277.08575	2.0
279.06458	2.8
281.09415	2.5
285.08737	1.4
286.06229	2.6
287.06998	6.9
288.04782	1.3
288.07712	6.0
289.04959	19.4
289.08224	2.3
291.06326	1.3
299.07211	2.6
299.10248	1.9
301.04898	1.3
302.05872	5.2
303.06647	7.5
303.10031	2.0
304.07346	3.0
305.04382	2.2
305.07825	2.7
307.06036	11.2
309.08664	2.6
311.10599	3.3
312.07712	2.4
313.08090	1.8
313.14020	1.8
314.05688	1.4
315.06494	6.6
316.07312	10.6
317.04498	30.5
317.07990	4.9
317.11612	1.8
318.04916	2.7
319.05981	3.3
321.03937	17.0
321.07529	1.6
321.11081	2.1
327.09985	7.4
327.12570	4.9
329.08102	1.7
329.11774	2.9
330.05386	1.4
331.06171	8.7
331.09570	2.4
332.06778	9.1
333.07626	15.2
334.04562	6.2
334.08322	14.5
335.05472	40.9
335.09106	3.8
336.02390	1.3
337.08456	2.1
339.09659	2.0
339.12662	2.3
341.12692	1.6
343.05908	2.0
344.06683	5.1
345.07480	5.6
345.11227	12.1
347.05524	1.9
348.06213	13.6
349.06973	5.9
349.10742	2.4
350.07828	72.9
351.08231	2.3
355.09595	14.0
356.10376	2.4
357.11124	6.5
358.08258	2.4
359.09845	2.0
359.14783	33.7
360.06302	4.4
362.07770	4.2
363.08551	3.7
363.12350	3.2
371.14752	2.1
373.10703	39.6
374.11469	5.6
375.12195	10.5
377.06552	2.1
378.07285	13.0
383.09201	4.3
389.15552	1.6
391.11731	52.7
401.10159	15.8
419.11215	62.7
420.11578	1.8
437.12311	100.0
438.12585	3.0
545.72705	1.4
557.14423	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05508	1.0
57.03428	1.5
61.02921	3.8
67.05494	2.1
69.03432	1.7
69.07070	0.8
69.40850	3.4
71.04992	0.7
73.02914	3.3
79.05070	0.4
79.05469	2.7
81.03401	3.4
81.07053	3.2
83.05014	0.9
83.08609	0.8
85.02909	5.8
87.04507	0.5
91.03954	2.8
91.05474	3.7
93.07039	1.9
95.04976	2.2
95.08604	1.4
97.02891	3.1
98.21506	1.0
98.68948	0.4
99.04447	0.8
101.02374	1.5
103.85842	0.5
105.07010	2.5
107.08610	1.4
109.02893	0.8
109.10174	0.5
111.08068	0.6
115.03943	0.5
115.05599	0.4
119.08559	2.0
121.10111	0.5
123.08072	0.8
127.03952	1.1
129.07040	1.2
131.07712	0.4
131.08595	1.4
133.06496	0.6
133.10126	0.9
137.06009	0.5
145.10100	0.8
147.11751	1.3
157.10155	0.8
175.11259	0.8
185.04321	0.6
193.12289	1.3
211.13438	0.7
243.08363	2.2
251.12599	1.2
299.54523	0.5
333.20303	3.3
389.22836	0.5
465.20795	2.0
469.20398	9.9
470.20520	0.6
551.28339	3.2
617.36688	0.5
622.98792	0.5
635.57068	0.6
693.34808	1.5
764.26953	0.5
779.41827	100.0
780.41949	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	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.05500	1.4
55.22229	0.4
57.03427	2.2
59.04988	0.7
59.68835	0.3
61.02922	5.2
67.05498	4.9
69.03420	3.8
69.07057	1.5
70.04942	1.4
71.01366	0.6
71.04993	1.7
73.02912	4.4
79.05486	4.1
81.03403	4.3
81.07056	5.5
83.04960	0.8
83.08635	0.8
83.11253	0.3
85.02903	5.4
87.04464	0.9
91.03936	3.3
91.05478	3.3
93.07043	4.5
95.04955	1.2
95.08603	3.5
97.02885	4.5
97.06535	0.8
98.21526	0.3
99.04475	0.9
101.02355	2.2
103.03937	0.6
105.06998	1.8
107.04948	0.5
107.08576	2.3
109.02879	1.1
109.06503	0.4
109.10174	1.4
111.08081	0.3
115.03970	0.4
117.07014	0.4
119.08555	1.5
121.10138	2.2
123.08105	0.3
123.11739	0.6
127.03941	1.2
129.06969	0.5
131.08603	1.7
133.10133	1.4
135.11705	0.7
137.16876	0.3
142.07817	0.4
145.10152	0.6
147.11679	1.2
149.09657	1.1
149.13304	0.9
152.26746	0.4
157.10130	0.9
159.11728	0.5
160.93048	0.4
173.13293	0.6
175.11263	1.0
184.07396	0.4
184.86154	0.4
185.04276	0.9
193.12323	1.1
197.15302	0.3
203.05406	0.5
225.14868	0.5
230.40471	0.4
233.11606	0.4
243.08395	2.1
260.44989	0.3
267.15799	0.8
272.62732	0.3
283.15115	5.3
335.25922	0.6
339.17868	0.9
339.29193	0.4
391.21292	0.3
441.20682	0.4
501.22934	11.2
501.30353	0.6
519.29230	7.8
750.59003	0.3
779.45404	100.0
780.45709	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	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
55.05261	1.0
55.05507	13.7
57.03432	14.1
57.07067	1.8
65.03921	2.5
67.05498	48.0
68.05830	0.7
69.03413	3.2
69.07057	10.7
70.54999	2.1
71.04967	2.8
77.03907	0.8
79.05485	31.8
81.03410	69.0
81.07049	51.7
83.04972	5.1
83.08134	1.5
83.08607	19.7
85.02920	1.2
85.06523	2.4
87.37157	0.7
91.05472	23.8
91.28704	0.7
93.07033	37.7
95.04348	1.3
95.04961	25.0
95.08598	37.4
97.02874	2.6
97.06534	3.6
97.09632	0.7
97.10166	5.2
99.08075	1.9
105.07023	19.9
107.04945	5.5
107.08590	21.7
107.13794	0.8
109.06503	4.5
109.10149	19.4
111.04421	1.8
111.08079	7.0
115.05432	1.4
117.06998	5.7
119.08566	20.5
121.06483	4.1
121.09306	1.4
121.10132	20.4
123.04419	1.4
123.08089	3.6
123.11697	7.6
125.09614	4.8
128.06216	0.8
129.07002	8.1
131.08557	15.4
133.06471	2.9
133.10120	11.7
135.08037	1.6
135.10687	0.9
135.11691	12.1
137.05997	0.9
137.09592	3.0
137.13239	1.7
139.11230	0.8
142.07751	1.9
143.08530	1.4
145.10117	9.8
147.08043	2.7
147.11665	11.7
149.09604	5.1
149.13211	6.7
157.08934	0.9
157.10121	9.9
159.11667	7.6
161.13239	4.8
163.11172	2.1
163.14824	3.6
165.12762	2.5
169.10027	1.0
171.11658	2.3
173.13234	5.6
175.11182	6.7
175.14801	2.2
177.12653	0.8
177.16420	1.6
183.11694	1.2
185.13214	1.6
187.14824	2.8
189.11183	4.1
189.16396	0.6
193.12216	21.4
197.13222	0.9
199.14815	1.1
201.16403	1.3
211.13242	1.0
219.17361	0.9
227.12762	8.4
233.15543	0.9
235.13210	1.1
243.21049	5.2
249.14789	1.9
259.13232	1.0
261.22116	18.6
265.14343	1.0
267.15891	100.0
268.16165	2.0
273.14694	1.1
279.23175	2.5
282.58490	0.7
283.24197	0.9
285.22070	1.2
291.23438	0.7
295.22626	1.0
299.23676	1.2
301.14282	1.3
301.25220	6.7
309.16913	2.8
317.24771	3.1
321.20419	0.8
333.24048	1.0
334.22559	0.7
335.25763	89.4
336.26083	0.9
341.24667	0.7
359.25760	0.8
417.26352	1.2
417.31625	0.7
421.25864	2.7
435.27341	1.4
435.32587	6.1
453.33664	9.1
471.34872	3.9
475.30405	1.2
509.36218	1.6
527.37292	71.6
528.37805	1.3
545.38324	63.8
546.38702	1.3
559.39874	2.4
569.38556	5.5
611.39594	1.2
623.39258	2.2
635.39099	1.3
653.40277	1.2
671.41876	1.3
761.96307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.2
57.03420	9.9
61.02919	9.9
67.05502	64.4
69.03412	8.0
69.07064	20.0
70.11487	18.6
71.04968	4.0
73.02903	6.9
79.05486	52.5
81.06645	5.0
81.07059	60.5
81.08521	3.1
83.08602	10.1
85.02895	7.4
91.03916	7.4
91.05479	43.2
93.07030	53.4
95.04944	7.0
95.08601	38.0
97.02930	4.1
105.07023	54.1
107.05020	3.3
107.08585	34.1
109.10134	21.4
111.08129	4.2
117.07008	20.2
119.08573	41.6
121.10135	22.9
123.11694	4.5
128.06195	3.9
129.06969	12.2
131.08557	26.8
133.10120	26.6
135.11667	17.2
143.08517	11.0
145.10139	22.4
147.11661	27.8
149.13234	10.3
155.08537	5.0
157.10132	17.9
159.11720	17.9
161.13277	22.2
163.14767	5.0
169.10088	4.4
171.11717	16.8
173.13260	16.9
173.99690	4.0
175.14815	6.7
181.10225	3.5
183.11630	8.2
185.13232	13.8
187.14851	5.6
189.71741	3.9
197.13246	5.9
199.14854	7.8
201.16359	3.7
209.13176	6.6
216.17586	3.2
227.17871	3.9
233.23358	3.9
239.18048	4.1
241.19449	17.8
257.19046	5.8
259.20505	37.4
261.22028	6.7
333.24261	30.0
335.25769	64.6
367.22397	4.9
519.41919	7.3
593.45404	10.7
611.46637	100.0
697.38538	4.2
728.19379	3.5
755.51062	3.8
773.51575	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	774.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05508	31.2
57.03433	34.9
61.02904	5.0
65.03942	3.9
67.05500	53.2
69.03428	7.8
69.07062	21.4
69.35578	22.8
71.04984	8.7
73.02907	2.4
79.05492	61.4
81.03417	67.1
81.06574	3.7
81.07053	65.7
83.04986	19.0
83.08608	30.6
85.02906	35.3
85.06543	7.5
91.05476	82.7
93.07038	58.3
93.83110	1.8
95.04964	39.7
95.08606	41.6
95.15670	2.1
97.02898	8.6
97.06540	12.1
97.10170	7.5
97.64639	1.8
99.08092	8.4
103.05494	2.7
105.07023	77.7
107.04964	12.1
107.08595	34.9
109.02872	2.9
109.06495	11.1
109.10155	10.1
111.04469	4.2
111.08057	16.1
113.06028	5.2
115.05448	4.3
117.07014	37.5
119.04927	2.0
119.08573	57.5
121.06550	4.5
121.10133	23.6
123.08078	4.5
123.11674	3.9
125.09618	4.7
127.07510	2.2
128.06250	6.9
129.05492	3.5
129.07013	31.9
131.08565	53.0
133.06477	6.5
133.10135	34.0
135.08025	6.1
135.11670	10.3
137.09613	6.7
141.06989	5.5
142.07774	6.9
143.08543	19.5
145.06456	2.9
145.10117	44.1
147.08057	6.6
147.11700	33.9
149.09625	14.9
149.13297	2.6
151.11133	2.5
154.07779	3.7
155.08562	9.5
157.10121	35.5
159.08098	2.2
159.11684	41.2
161.13251	7.6
163.11238	6.4
165.12775	5.7
167.08495	2.3
169.10075	9.5
171.11717	11.7
173.09544	1.9
173.13248	18.1
175.11185	18.5
175.14809	3.0
177.12683	2.0
181.10120	3.9
183.11641	12.5
185.13254	35.1
187.11079	2.3
187.14847	2.6
190.03143	2.0
193.12212	53.3
194.12700	2.1
195.11720	2.6
197.13261	9.3
199.14833	3.1
201.12569	2.7
201.16466	2.3
203.14217	9.9
205.15985	2.9
211.13261	66.7
212.13678	2.6
219.17470	8.3
227.12885	5.9
229.19536	6.0
234.47113	2.0
239.17958	18.0
257.18994	43.8
267.15881	23.3
269.17477	4.1
273.18271	2.3
274.04501	2.0
275.20032	30.8
283.15372	3.1
285.16940	100.0
286.17453	2.9
307.16849	2.1
331.22699	16.8
349.23721	31.3
431.29361	5.5
447.28088	2.4
449.30441	3.4
461.28836	3.5
467.31522	3.1
471.31223	2.5
479.29895	6.5
487.30389	4.6
513.35510	2.5
523.34412	5.9
531.39374	2.5
541.35291	37.1
542.35553	2.2
559.36334	59.7
560.36652	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	773.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
55.05473	0.8
57.03436	2.8
58.96870	0.4
59.04943	0.5
65.03936	3.7
67.05457	0.6
69.03378	1.7
69.07019	1.6
71.04987	11.6
71.62917	0.9
73.02882	0.8
75.04441	0.8
79.05463	0.8
81.03372	1.5
81.07053	3.4
83.04948	1.2
83.08576	0.7
85.02896	15.8
85.06485	1.6
91.05478	3.0
93.03416	2.6
93.03917	0.6
93.06994	1.3
95.04919	1.0
95.08591	3.2
97.02859	1.2
97.06487	0.8
98.52415	0.5
99.04430	0.7
99.08039	1.1
105.06982	0.5
107.08545	2.0
109.02810	1.4
109.10088	2.3
111.04426	13.7
119.04942	3.7
121.02859	8.0
121.10085	1.7
123.04372	1.6
123.11666	1.2
125.05975	18.4
127.03881	0.9
129.05399	1.4
131.04861	0.5
135.11662	1.0
137.05920	2.0
145.02788	1.6
147.04398	0.6
149.05966	1.2
149.13219	1.4
151.02896	0.5
151.03893	6.2
151.07465	0.8
153.05452	53.3
155.07039	0.6
163.03889	0.7
163.14789	0.6
165.01852	0.7
167.07008	0.8
175.14966	0.5
177.05417	1.0
177.16406	0.7
187.03853	0.5
189.01854	0.5
191.03365	1.1
195.02841	1.1
195.04694	1.1
195.06519	22.6
195.17390	1.0
205.04927	1.0
206.04530	0.6
207.06487	0.8
209.04343	0.7
213.05463	1.0
213.18471	2.8
217.01324	0.5
217.04945	4.1
219.02873	1.0
221.04536	0.9
225.07484	1.0
227.06949	0.6
235.02325	1.1
243.02873	1.9
243.06444	1.8
247.02319	1.6
253.05106	0.5
255.06575	1.4
256.07288	1.9
257.04431	0.7
259.05942	1.3
261.03943	2.0
266.05621	0.9
267.06476	1.0
269.04337	0.7
270.05060	0.7
271.06018	14.6
280.07037	0.7
281.04645	0.6
281.07819	0.7
283.06003	37.1
284.06760	19.4
285.07339	1.5
291.26868	1.8
294.05209	0.9
295.05997	12.2
297.04150	1.0
297.07513	8.2
299.05536	0.8
307.05942	2.4
308.06647	3.7
309.04022	1.3
309.07492	14.3
309.27762	2.0
311.05533	2.5
313.07025	96.9
314.07288	1.7
319.06189	0.7
321.07565	2.5
322.04681	1.7
322.08170	0.6
323.05435	3.9
323.09143	9.0
324.06339	0.6
325.07025	3.6
327.08594	0.6
327.28766	2.3
331.05853	0.6
333.07599	0.7
334.08252	0.6
335.05496	9.6
335.09189	1.5
336.06180	1.2
337.07007	20.7
339.04883	1.1
339.08582	11.1
341.06494	1.5
343.08026	4.6
347.05392	1.3
349.06976	1.8
349.10776	1.8
351.08542	6.2
352.05710	0.9
355.08157	1.6
361.06888	2.6
362.03043	0.6
363.08670	2.6
365.06537	14.7
367.08115	9.8
373.07040	0.8
375.08612	1.5
379.08105	9.1
383.07559	3.8
385.09128	1.1
387.08636	0.9
389.06479	2.3
391.07755	0.6
397.09158	22.0
401.06271	0.8
405.05719	1.5
405.09930	2.3
406.06720	0.7
415.10196	23.1
417.10022	1.8
423.10672	1.9
429.09686	1.2
431.07626	1.7
433.11295	100.0
434.11783	1.6
441.11649	2.6
447.10855	3.7
449.08850	0.9
459.12808	8.3
461.12213	1.1
465.12552	7.0
467.09793	2.3
471.10791	1.2
485.10516	4.3
489.11975	1.8
503.11859	7.4
507.12747	3.8
531.12866	1.2
579.17035	72.8
580.17322	2.3
591.15039	2.0
605.18500	1.0
609.16016	4.3
627.16974	10.4
649.17206	0.8
773.22479	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.03434	7.7
59.04973	0.7
61.02925	0.9
62.24902	0.5
65.03937	5.2
68.99802	1.0
69.03419	1.0
69.80951	1.9
69.81371	1.3
71.01337	0.7
71.04987	38.3
73.02911	1.0
75.04466	1.7
79.05479	0.6
81.03393	0.8
81.07053	0.7
83.04986	2.5
84.69193	0.5
85.02898	41.5
87.04453	1.6
91.05471	3.4
93.03398	3.5
93.07014	0.8
97.02850	1.1
99.04436	0.8
101.78648	0.5
103.03926	0.8
107.04932	0.7
109.02875	1.4
110.03649	1.6
111.03688	1.1
111.04434	19.1
119.04923	7.4
121.02863	9.2
125.05983	27.4
127.03915	0.8
129.05473	6.0
137.05983	1.5
137.09581	0.9
141.01755	0.6
145.02844	2.2
147.04378	1.1
149.05934	0.7
151.03868	3.3
151.07545	1.3
153.05452	100.0
154.05782	1.5
161.09573	0.9
163.03912	1.7
165.01810	3.9
165.09106	0.9
167.03389	2.0
173.02380	0.9
175.03876	0.7
175.23077	0.5
177.05452	1.0
181.04933	1.2
183.02873	3.3
187.03879	0.9
191.03371	1.6
193.04861	0.9
193.08739	0.6
195.02861	2.1
195.06517	33.3
205.01323	0.6
205.04942	1.5
207.02939	1.1
209.00645	0.7
213.05539	0.8
217.04918	0.8
219.02882	1.0
221.00925	0.7
229.01363	3.3
229.04938	0.9
233.04449	0.6
235.02510	1.0
239.06955	0.6
243.02931	1.9
247.02370	1.3
257.04398	0.8
266.06436	0.5
267.06558	9.7
268.07217	0.7
268.10284	0.6
269.04202	0.5
270.05243	2.6
271.05978	7.3
272.56686	0.5
279.06610	1.0
281.04892	1.0
281.08038	5.7
283.05991	94.2
284.06729	9.7
285.07617	1.0
293.08081	1.8
294.05191	0.9
295.06009	24.9
295.09451	1.9
296.06635	1.4
297.04068	1.4
297.07614	3.0
299.05692	0.7
305.08054	1.8
307.06073	3.9
307.09396	1.1
308.06717	2.6
309.03970	6.4
309.07584	28.5
310.08139	0.8
311.05554	1.7
313.07031	98.0
314.07413	2.3
314.10867	0.5
319.06094	0.6
321.04105	0.7
321.07550	3.7
323.05457	2.6
323.09048	14.9
325.07169	2.4
327.05029	1.4
333.07581	4.0
335.05475	10.4
335.09210	2.7
337.07022	35.5
339.04971	2.9
339.08676	8.3
341.06671	0.9
347.05353	1.8
349.06985	12.0
349.10748	1.4
351.08609	3.5
353.06555	2.4
361.07095	13.0
362.07599	0.8
363.04996	1.1
363.08643	3.8
365.06531	6.8
367.08115	12.7
375.04688	1.0
375.08795	2.7
377.06390	0.9
379.08099	22.0
383.07697	4.2
385.06888	0.7
387.08643	1.0
389.06451	1.8
397.09149	15.3
403.08212	0.8
405.09695	1.4
407.07605	2.3
415.10242	95.9
416.10419	2.1
417.09677	3.9
429.09735	0.9
430.10712	0.9
433.11276	21.8
434.10989	0.7
437.08661	0.8
443.11343	2.3
447.10788	4.1
449.08856	1.0
459.11206	1.2
465.11865	3.3
467.09430	0.8
471.10815	1.7
477.12000	4.6
483.10443	0.6
485.11215	2.7
489.11783	15.2
507.12830	39.9
508.13141	1.4
513.11554	2.3
531.12842	18.4
531.20825	1.0
543.12561	1.2
555.12793	1.8
561.14069	13.3
573.13770	3.9
579.16815	1.7
591.14935	12.8
609.16003	55.1
610.16345	2.4
627.17035	28.1
628.17120	1.3
773.24701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.5
55.05509	25.6
57.03436	13.1
61.02914	2.8
65.03934	1.7
67.05164	2.8
67.05502	37.1
69.03424	9.3
69.06718	2.1
69.07067	31.8
69.35889	15.3
71.04977	5.0
73.02908	1.7
79.05053	2.4
79.05491	37.7
81.03413	46.5
81.07050	34.3
83.01327	1.5
83.04983	12.4
83.08614	24.7
85.02899	18.1
89.05994	1.9
91.05477	35.5
92.72386	1.4
93.07043	27.4
95.04967	25.0
95.08605	18.3
95.21568	1.4
95.36221	1.3
97.02886	13.6
97.06521	5.4
97.10167	17.4
105.07035	24.6
107.04970	9.8
107.08585	18.8
109.06501	5.9
109.10156	8.3
111.04423	3.0
111.08085	8.5
113.05952	1.5
117.07013	7.2
119.04890	1.5
119.08588	24.6
121.06509	5.4
121.10154	10.3
123.08050	5.8
123.11676	1.5
125.09622	12.9
127.03886	2.7
129.06992	9.0
131.08554	14.1
133.06490	4.6
133.10136	14.4
135.08054	4.3
135.11679	4.0
137.09599	4.3
142.07800	3.2
143.08589	2.4
145.10114	4.9
147.08057	9.8
147.11656	15.1
149.09578	6.2
149.13205	1.6
151.11159	1.5
157.10143	12.9
159.11728	3.3
161.09598	3.9
161.10974	1.3
163.11191	4.4
165.09090	1.6
165.12810	3.2
175.11198	12.8
177.12668	2.0
189.11229	4.3
193.12248	29.2
205.12254	2.4
211.13260	43.8
223.13268	19.3
227.12804	5.3
249.14836	2.6
267.15897	28.2
273.18481	12.1
275.20016	1.8
283.15350	2.7
285.16965	45.3
291.19528	100.0
309.20718	1.8
347.22290	3.1
365.23224	46.8
437.25262	1.8
459.27328	1.4
477.28259	4.2
493.28226	1.4
495.29251	2.0
539.33624	2.2
557.34729	37.1
575.35736	60.4
691.08160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05488	0.8
57.03435	7.2
58.51503	0.5
59.04998	0.8
65.03934	5.0
67.05489	0.6
68.99774	0.7
69.03416	0.7
71.01350	0.5
71.04988	39.3
71.44695	0.9
73.02906	1.0
75.04465	1.4
81.03401	0.8
83.04970	1.3
85.02901	39.8
87.04440	1.4
91.05032	0.5
91.05482	5.3
93.03400	4.8
97.02914	0.7
103.03967	0.8
107.04942	0.6
109.02827	0.9
110.03667	1.0
111.04435	17.2
115.20960	0.5
119.04937	7.3
121.02863	8.5
125.05987	27.9
129.05476	5.5
135.04303	0.6
137.05948	1.3
145.02826	2.2
147.06523	0.9
149.02293	1.2
151.03894	2.8
151.07521	1.4
153.05458	96.8
154.05690	0.5
163.03896	2.1
165.01834	4.9
167.03424	2.5
177.01804	1.1
177.05522	0.7
183.02882	3.4
187.03909	0.6
191.03363	1.8
195.02856	1.6
195.06528	32.2
203.03342	1.0
209.00752	0.6
215.03410	0.7
217.04842	0.6
219.02878	0.6
221.04424	1.2
225.05432	0.5
229.01309	2.6
229.04970	1.4
231.02838	0.9
235.02444	1.6
239.07022	0.9
242.05566	0.5
243.02843	1.9
247.02402	1.8
255.03075	0.5
255.06488	1.1
257.04443	0.8
261.03973	0.7
267.06546	8.4
269.04343	0.7
269.08411	0.6
270.05142	2.2
271.05991	6.8
279.06598	1.1
281.04761	1.0
281.07993	5.5
283.05997	90.1
284.06772	7.7
291.06577	0.6
293.07910	2.6
294.05225	0.9
295.06018	24.2
295.09448	2.2
296.06482	1.2
297.04099	1.0
297.07523	3.4
305.08170	2.3
307.06058	3.7
307.09216	0.8
308.06747	2.6
309.03946	6.3
309.07556	29.1
310.07770	0.8
311.05414	1.5
313.07031	100.0
314.07492	1.9
319.06067	0.9
321.04276	0.7
321.07614	3.5
323.05447	2.9
323.09116	14.2
325.07071	2.1
327.05124	1.3
331.06091	0.7
333.07608	4.6
335.05453	11.3
335.09192	2.8
336.06235	0.6
337.07028	31.3
337.90051	0.5
339.04953	2.1
339.08630	9.0
341.06482	0.8
347.05515	2.0
347.09344	0.6
349.07031	14.7
349.10703	1.1
351.08667	3.8
353.06586	2.5
359.09253	0.5
361.07083	13.3
363.04776	1.6
363.08591	2.7
365.06534	6.8
367.08127	13.6
373.06818	0.7
375.08740	2.7
377.10327	0.8
379.03226	1.1
379.08072	21.0
380.08200	0.6
383.07462	4.0
387.09058	1.1
389.06509	1.6
397.09171	14.7
403.07880	1.0
405.09735	1.3
407.07803	1.7
415.10248	91.8
416.10376	1.9
417.09497	3.1
428.08917	0.8
429.09775	1.4
433.11316	20.4
437.08481	1.2
441.10815	0.5
443.11249	2.6
447.10831	2.8
449.08621	0.8
457.12396	0.6
459.11078	1.7
465.11707	3.0
466.91052	0.5
467.09613	1.5
471.10706	2.1
477.11710	4.8
483.10934	0.9
485.11127	3.1
489.11795	14.9
507.12866	37.5
508.13126	0.7
513.11890	2.0
531.12842	19.8
543.12274	1.2
555.12616	1.7
561.13916	10.9
573.13684	3.3
579.17072	1.4
591.14978	13.5
609.16010	47.1
610.16516	1.1
627.17108	21.3
628.17200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
55.05298	2.1
55.05514	28.3
57.03437	14.0
57.07069	4.2
61.02933	11.0
65.03924	8.3
66.86396	2.0
67.05501	74.8
68.13063	2.2
69.03425	15.0
69.07066	22.8
69.14622	2.5
70.67385	4.6
70.67719	5.2
71.04977	6.9
73.02886	5.4
73.43291	2.1
79.05488	69.4
81.03426	16.2
81.07048	84.2
83.04966	10.4
83.08605	12.0
85.02900	14.2
85.06512	3.7
87.04451	2.6
91.03953	3.8
91.05476	74.0
93.07040	70.2
95.04966	15.4
95.08601	61.9
97.02906	12.9
97.06513	7.3
97.10156	3.1
99.04424	4.3
103.05437	3.1
105.07026	57.0
107.04945	5.1
107.08585	36.2
109.02852	4.9
109.06506	8.5
109.10166	25.2
111.08065	4.7
111.11668	2.1
115.05424	4.4
116.02972	2.3
117.07001	50.3
119.08568	44.0
119.38770	2.2
121.06493	2.8
121.10127	34.4
123.08069	6.2
123.11703	5.3
127.03889	7.8
127.69545	2.5
128.06239	4.9
129.05484	3.9
129.06999	24.2
131.08554	57.8
133.06380	2.4
133.10124	29.9
135.08078	3.9
135.11673	18.0
137.09663	3.8
141.06967	11.7
142.07790	3.3
143.08582	22.4
145.06519	3.7
145.10114	57.3
147.11681	24.2
149.09613	3.6
149.13235	8.4
153.06860	2.8
155.08507	15.9
157.10106	27.0
159.08031	3.3
159.11679	46.5
161.09616	4.6
161.13232	13.5
163.11143	2.9
165.06886	2.9
167.08575	3.5
169.10114	14.9
171.11678	25.6
173.09618	4.6
173.13278	26.1
175.11151	5.9
175.14781	5.5
181.10143	6.1
183.11731	11.9
185.13261	10.5
187.11206	4.4
187.14803	6.6
195.11676	5.6
197.13206	11.7
199.06009	2.5
199.14833	4.8
201.12677	3.2
201.16434	3.1
207.11818	2.9
209.13248	4.1
211.14772	4.8
213.16353	4.7
223.10982	2.6
223.14836	3.1
225.16492	2.7
229.19489	9.1
239.17967	18.4
241.19463	5.0
255.17599	2.6
257.18961	50.9
259.20596	8.7
261.22070	6.0
273.18466	4.5
275.20087	20.2
299.20276	3.6
327.23184	2.7
331.22690	17.6
333.24356	5.7
335.25748	64.8
337.27545	2.8
349.23828	10.3
403.24741	2.9
419.24216	3.0
493.27692	3.7
517.40540	3.3
591.44000	4.2
607.43677	3.0
609.45105	100.0
610.45160	4.9
643.42554	2.4
651.46130	3.7
717.46936	3.9
735.47253	6.2
753.49213	6.7
771.50378	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	771.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.1
55.05507	22.1
57.03424	7.2
67.05502	22.8
69.03428	16.9
69.07055	4.7
70.79095	3.8
70.79488	4.3
71.04987	6.3
73.02901	2.2
79.05479	18.5
80.95296	1.9
81.03416	59.5
81.07055	22.9
83.04973	16.6
83.08617	14.7
85.02880	12.0
91.05473	17.0
93.07039	12.6
95.04955	21.0
95.08598	10.8
97.02883	14.5
97.06512	4.3
97.10217	4.4
99.04417	2.5
103.05464	2.4
105.07029	13.1
107.04949	7.2
107.08582	6.6
109.02871	7.9
109.06521	3.9
109.10117	4.7
111.04428	9.1
111.08083	6.1
115.05408	2.5
117.06989	3.5
119.08568	10.8
121.06477	4.7
121.10126	6.0
123.04453	6.4
123.08035	2.8
125.09665	3.8
127.03906	7.0
129.05504	3.5
129.06987	7.6
131.04929	2.6
131.08566	8.0
133.10141	7.1
135.11664	3.6
141.07002	3.9
143.08539	4.1
145.06500	4.2
145.10161	2.5
147.08051	2.2
147.11667	11.5
149.05916	4.5
149.09561	5.5
152.06239	3.0
153.07043	5.1
153.12827	2.3
155.08537	6.4
157.06477	5.4
157.10139	7.3
159.07997	2.5
161.05978	7.4
163.07455	2.4
163.11197	5.5
165.07008	7.3
165.12796	3.2
166.13002	2.1
167.08560	12.8
169.06487	4.4
171.08003	3.6
172.05141	3.2
173.04567	4.4
173.05983	12.9
173.09612	3.1
175.07532	3.9
175.11191	7.9
179.08543	4.7
181.06464	11.1
181.10190	3.0
181.12190	2.2
182.07304	4.9
183.08020	13.7
185.05972	2.5
185.09549	2.8
187.07578	10.0
189.09067	2.5
191.08618	3.7
191.10670	4.6
193.12241	28.1
194.07304	6.0
195.08041	100.0
197.06030	2.6
197.09673	11.6
198.06761	1.9
199.07573	10.7
201.09036	5.7
207.08109	6.6
209.09647	6.4
211.07532	4.4
211.11302	4.3
211.13245	36.3
213.09099	26.6
215.10622	3.4
219.08049	2.7
219.11617	2.0
221.09662	12.6
223.07483	5.1
223.11211	5.8
225.09135	3.8
227.10771	2.6
227.12794	6.3
233.09697	7.2
235.11166	4.6
237.09085	3.6
239.10823	2.8
241.12195	2.6
246.31737	2.0
247.11200	4.3
249.14877	2.8
251.10648	3.0
256.14563	3.0
267.15973	9.6
279.17380	7.3
283.15558	2.8
284.14099	3.3
285.16837	11.6
289.15979	4.0
299.16379	3.4
307.13336	3.5
307.16907	62.8
309.18454	2.4
323.16312	3.9
325.17871	25.6
337.17480	2.2
341.18243	2.0
343.19107	6.5
345.18265	2.7
355.17587	3.7
363.19348	12.9
381.20627	27.9
399.21738	16.1
411.20050	5.0
417.22418	4.0
429.20932	12.2
481.27472	4.0
499.28445	11.1
517.29376	5.0
555.30554	2.8
573.31781	11.9
591.32953	27.3
609.34283	21.9
699.35565	2.5
717.36182	3.2
735.37158	11.7
753.37988	8.7
757.91589	2.3
771.39551	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	766.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03427	0.3
59.04991	0.2
59.07793	0.2
61.99188	0.2
65.03935	2.7
67.05499	0.6
69.03416	0.7
69.72310	1.4
70.06578	0.3
73.02913	0.3
79.05482	0.6
81.03395	0.4
81.07039	0.5
82.04185	0.5
85.02877	1.2
91.05470	1.0
93.03394	0.7
93.07008	0.4
95.01285	0.3
95.04964	0.9
97.02866	0.6
97.06532	0.4
103.05470	0.5
105.07005	0.6
107.04949	1.4
109.02905	0.5
110.03666	3.2
111.04439	5.4
119.04906	1.2
121.02857	3.4
121.06493	0.5
123.04379	0.6
125.05978	4.7
126.82169	0.2
127.03909	0.3
128.06194	0.2
129.07005	0.5
131.04912	0.8
131.08585	0.3
133.02847	1.0
133.06505	0.4
135.04408	0.4
135.08084	0.5
137.05965	3.9
138.03053	0.3
144.05711	0.3
144.90442	0.3
145.06479	0.7
147.04416	1.7
147.08047	0.3
149.02336	1.3
149.05968	0.9
151.03906	0.9
151.07541	2.0
153.05458	11.5
153.06738	0.6
157.06493	0.7
158.07246	0.3
159.08058	0.9
161.05960	1.6
161.09618	0.9
162.06750	0.5
163.07492	1.4
165.05522	0.4
165.06964	0.7
165.09142	0.3
167.07036	4.5
167.08429	0.5
171.06544	0.3
171.08022	0.4
173.05928	0.3
174.06708	0.7
175.07521	1.1
177.05464	1.0
177.09081	0.8
178.07816	0.3
179.07074	1.3
179.08432	0.5
181.04947	2.3
181.06390	0.4
181.08560	0.8
182.07289	0.3
183.07948	0.3
184.05121	0.3
187.07538	0.6
188.08286	0.5
189.09070	1.8
191.07071	0.5
191.08542	0.4
193.08580	0.6
193.10133	0.4
194.07207	0.4
195.08099	1.0
195.09950	0.3
197.05902	0.5
197.09560	0.6
199.07593	0.3
202.07733	0.3
206.07204	0.3
207.08116	0.6
209.06122	0.5
209.08012	0.6
209.09702	0.4
210.06711	0.9
211.07562	0.7
211.11243	0.3
212.08348	0.4
219.08174	0.4
219.10040	1.5
220.08781	0.4
221.05960	0.5
221.09647	1.4
222.06891	0.3
223.07549	1.3
223.11214	0.5
224.08244	0.6
225.05399	0.4
225.09058	1.6
227.07054	1.0
227.10596	0.5
234.06750	0.6
235.07544	0.6
236.08308	0.3
237.05347	0.3
237.09100	1.3
238.06285	0.7
238.09839	1.9
239.06967	1.4
239.10625	0.8
240.07755	3.4
241.08510	0.8
248.08307	0.3
249.05444	0.6
249.09076	1.7
249.11267	0.7
250.09880	0.6
251.06918	1.5
251.10646	0.4
252.07872	1.4
253.08585	8.6
253.12209	3.5
254.09326	1.8
255.06502	1.0
255.10184	1.9
256.06998	0.3
257.08029	1.1
257.11731	0.4
263.06964	0.4
263.10635	0.4
265.08551	1.4
266.05862	0.3
266.09335	1.6
267.06418	0.6
267.10239	1.6
268.07242	1.2
268.10742	0.4
269.08063	1.6
269.10901	0.3
270.08823	1.3
270.12384	0.4
271.13297	0.7
277.08456	1.1
278.09293	0.5
279.06458	0.3
279.10126	0.6
281.08069	2.2
281.11697	3.0
282.08716	1.1
282.11661	0.3
283.09592	4.1
283.12744	0.4
284.10367	1.8
285.07681	0.4
285.11111	1.7
285.14807	1.1
289.54529	0.3
291.10114	0.4
293.08350	0.3
293.11536	0.5
294.08783	0.6
295.09543	1.6
296.10339	0.9
297.07864	0.3
297.11118	1.2
298.08395	0.6
298.11948	1.3
299.12735	4.2
300.09940	1.0
303.15884	0.6
307.09506	0.3
309.11160	4.8
310.12021	1.3
311.09317	0.4
311.12628	1.1
313.10669	9.2
313.14307	4.5
314.11298	0.4
315.12540	0.3
316.13037	0.5
321.11139	0.4
325.10370	0.4
326.11426	0.5
327.12256	19.2
328.12973	1.7
329.13763	1.6
331.15375	3.1
339.12149	1.7
341.13803	4.4
343.15335	0.6
345.17047	0.3
353.13742	0.7
355.15378	1.2
357.13495	1.1
357.16928	0.3
359.14847	100.0
360.15280	2.7
361.16461	2.9
367.15378	0.6
371.14835	9.9
373.16431	0.6
389.15872	5.3
431.17801	0.3
491.20721	0.6
509.21646	1.5
521.21613	1.2
533.21497	0.4
551.21515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01885	0.5
55.05504	1.5
57.03443	2.7
61.02919	5.7
67.05495	4.6
69.03423	3.6
69.07063	1.6
71.01346	0.6
71.04988	0.9
71.59619	0.8
73.02921	3.1
75.11254	0.4
79.05479	4.6
81.03407	2.8
81.07050	4.5
83.04941	0.8
83.08618	0.8
85.02900	6.5
85.06570	0.4
87.04446	0.6
91.03944	3.2
91.05458	3.8
93.07030	4.9
95.04949	2.2
95.08607	3.2
95.74216	0.4
97.02885	3.9
97.06562	0.7
99.04463	1.1
101.02367	1.9
105.07011	3.1
107.08579	2.9
109.02872	0.8
109.06484	0.7
109.10152	1.3
111.04430	0.4
113.03583	0.4
115.03924	0.7
116.91645	0.5
117.07059	0.8
119.08560	2.3
121.10151	1.5
127.03933	1.3
129.06979	0.8
131.08583	1.6
133.10126	2.1
135.11674	0.9
147.11714	1.2
157.10182	1.4
159.11745	0.7
193.12279	0.7
203.05312	0.6
243.08368	2.3
251.12578	1.7
317.20905	0.7
321.22479	0.6
411.54898	0.5
460.97824	0.4
469.20425	5.1
535.28754	7.7
629.20068	0.5
702.96698	0.5
763.42273	100.0
764.43018	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	765.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05500	1.3
57.03426	2.0
61.02926	5.5
67.05499	5.4
69.03426	2.9
69.07059	1.6
69.47786	5.4
70.43427	0.6
71.04984	1.6
73.02912	4.6
79.05482	4.7
81.03405	3.8
81.07053	5.6
83.04954	1.1
83.08648	1.0
91.03941	4.0
91.05476	2.2
93.07020	5.1
95.04964	1.5
95.08598	4.2
97.02879	4.4
99.04461	0.9
101.02367	2.1
105.07021	1.8
107.08593	2.8
109.02889	1.1
109.10141	1.3
118.39575	0.6
119.08592	1.8
121.10149	4.0
127.03926	2.4
129.06947	0.7
131.08569	1.4
133.10126	1.2
135.11713	1.2
147.11690	1.2
149.09595	0.9
180.11099	0.7
185.04195	0.9
243.08424	2.6
251.12700	1.6
269.13651	1.5
335.25986	0.8
424.45587	0.7
443.18768	4.4
469.20612	2.6
487.21365	4.7
519.29163	10.1
558.66028	0.8
721.41260	0.9
747.42883	2.6
765.43854	100.0
766.44080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01871	4.3
55.05254	1.7
55.05508	20.2
57.03434	19.3
57.07065	3.8
61.02934	1.4
65.03932	3.0
67.05502	72.7
69.03428	5.4
69.07062	18.3
70.33501	4.4
71.04990	4.6
71.08637	1.0
79.05488	48.4
80.60653	0.8
81.03413	99.8
81.07052	72.0
82.07356	0.8
83.04977	6.5
83.08615	29.4
85.02895	2.7
85.06528	2.9
86.09696	1.1
91.03947	0.9
91.05477	40.2
93.07037	57.3
95.04964	33.3
95.08601	50.8
95.09241	1.3
97.02892	3.3
97.06517	5.1
97.10165	8.5
99.08077	2.9
105.07028	32.4
107.04953	10.0
107.07854	1.5
107.08588	30.5
107.20152	0.9
109.06504	5.9
109.07143	0.9
109.10149	24.8
111.04446	1.7
111.08080	9.8
115.05451	2.4
117.07012	9.6
119.04932	1.2
119.08572	29.0
121.06475	4.2
121.10135	28.7
123.04400	1.7
123.08089	5.2
123.11700	8.3
125.09612	5.0
128.06223	1.7
129.06996	15.2
131.08560	24.0
133.06479	3.6
133.10124	17.6
135.08072	1.6
135.11676	16.3
137.05959	1.5
137.09595	3.4
137.13231	2.1
139.11169	1.8
141.07010	1.2
142.07774	2.9
143.08537	4.1
145.06537	1.1
145.10114	12.5
147.04404	1.1
147.08020	6.0
147.11678	17.5
149.09616	7.0
149.13246	7.7
151.11217	1.6
155.08615	1.7
157.10117	14.2
159.11702	9.2
161.13231	5.1
163.11165	3.7
163.14771	4.0
165.12810	2.3
169.10168	1.9
171.11719	1.7
173.09637	1.0
173.13200	7.9
175.11188	12.4
175.14850	2.3
177.12683	1.1
177.16325	1.1
183.11736	1.6
184.07336	2.6
185.13269	1.9
187.14803	3.8
189.11214	3.7
189.12772	1.5
193.12228	25.4
197.13266	1.2
199.14888	1.7
201.12607	0.8
201.16345	1.6
205.12206	1.1
205.15913	1.1
207.13994	1.0
211.13243	2.1
213.12798	0.8
215.14575	0.9
225.16325	1.1
227.12749	7.5
235.13399	1.3
243.21077	6.6
249.14922	2.5
259.13272	1.2
259.20477	1.4
261.22153	19.8
266.92194	0.9
267.15897	100.0
268.16211	2.2
279.23135	1.7
285.16940	2.1
285.21982	1.7
289.21722	1.2
299.23636	1.5
301.25269	4.9
309.16995	1.8
315.23019	0.9
317.24719	3.9
333.16995	1.1
333.24268	1.6
335.25790	83.2
336.26239	2.2
395.01450	1.1
403.24908	1.5
407.24240	1.1
417.31470	1.6
421.25906	1.9
435.27356	2.3
435.32571	6.0
449.28799	1.0
453.33588	7.7
471.34906	5.6
475.30634	1.1
479.52097	0.9
489.35825	0.9
501.36230	1.2
509.36365	2.3
527.37299	63.6
528.37445	2.8
545.38330	52.6
546.38831	2.3
563.39532	4.8
569.38055	5.3
623.39038	1.1
635.39307	1.2
653.40668	1.2
671.41296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01859	4.6
55.05260	2.1
55.05507	28.7
55.89838	0.9
57.03436	29.4
57.07070	2.7
59.04993	1.5
61.02929	6.0
63.75529	1.3
65.03922	4.0
67.05499	58.3
69.03431	8.1
69.07056	20.4
70.81534	1.9
71.04980	7.5
73.02895	2.2
73.06555	1.2
78.34544	1.0
79.05488	60.0
81.03412	66.6
81.07053	77.9
82.07370	1.2
83.04974	19.7
83.08615	30.9
85.02898	30.9
85.06522	5.3
87.04408	1.2
89.81392	1.1
91.03938	2.7
91.05473	72.1
92.05785	1.7
93.07037	67.4
95.04964	35.2
95.08599	44.9
95.09083	0.8
95.09220	1.5
97.02897	8.2
97.06528	8.1
97.10175	5.9
99.04440	1.3
99.08094	4.5
103.05438	1.6
105.04581	1.1
105.07021	57.9
106.07247	1.0
107.04951	8.1
107.08588	39.7
107.22634	1.2
109.02861	1.9
109.06509	9.4
109.10137	13.3
111.04460	3.6
111.08086	12.0
113.05966	3.1
115.05433	2.8
117.07010	15.4
119.08575	47.3
121.06472	3.9
121.10132	30.3
121.10995	1.7
123.08041	5.9
123.11688	6.7
125.09614	3.6
127.03886	1.8
128.06221	1.7
129.06996	17.6
131.08566	29.6
133.06448	3.3
133.10121	35.1
135.08023	1.8
135.11671	13.2
137.09605	3.5
137.13165	1.3
139.11186	2.1
142.07736	3.3
143.08548	5.1
144.09320	1.4
145.06372	1.2
145.10109	19.0
147.08043	4.0
147.11674	36.3
149.09608	10.7
149.13245	9.3
150.98312	1.1
151.11180	1.9
155.08540	2.8
157.10132	18.4
159.11693	12.5
161.13225	10.0
163.11183	4.3
163.14783	2.7
165.12695	7.0
169.10098	1.6
171.11667	5.3
173.13240	3.8
175.11185	15.5
175.14822	4.4
177.12727	2.4
183.13927	1.8
185.13245	5.7
187.14803	8.1
189.11154	1.7
193.12233	50.2
195.13867	1.3
199.14839	3.7
201.16309	2.0
205.15862	3.0
211.13278	70.9
212.13593	2.5
213.16463	1.8
227.12781	2.2
229.14307	1.8
231.20987	1.9
241.19519	10.5
257.19128	1.5
259.20560	26.0
267.15894	30.4
269.17468	7.1
275.20117	1.5
277.21600	21.5
283.98676	1.1
285.16943	100.0
286.17279	2.8
293.21130	4.4
315.23117	3.8
333.24265	23.3
341.19388	1.4
349.23532	1.5
351.25305	39.4
352.25565	2.2
433.30997	1.7
449.28543	1.2
451.32309	2.3
463.30472	4.6
479.29828	3.4
485.32751	2.8
495.29584	1.3
503.33328	4.5
525.35986	6.8
543.36804	30.2
544.37274	1.4
561.37842	39.0
561.46503	2.0
562.38593	1.5
765.75323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05265	0.8
55.05509	11.3
57.03425	3.7
60.58247	0.7
67.05502	10.6
67.57637	0.7
69.07071	4.1
71.04985	1.5
79.05480	6.6
79.06224	0.8
81.03414	1.3
81.07053	10.0
83.08615	3.0
85.06521	1.0
89.15209	0.8
91.05476	6.2
93.07041	3.0
95.04966	2.4
95.08607	5.3
97.06527	0.7
97.10158	2.9
100.45198	0.8
101.79104	0.9
103.05437	1.9
105.07011	4.8
107.08574	3.0
109.10142	2.8
115.05454	3.7
117.06993	4.6
119.08611	1.1
123.04433	7.1
123.08051	1.8
125.09624	1.7
128.06209	1.7
129.06984	4.3
131.04910	3.1
131.08545	3.1
133.06508	1.2
133.10100	0.8
135.11617	1.1
137.05951	1.5
140.59352	0.8
141.06999	5.7
142.07703	1.1
143.04868	2.1
143.08554	2.3
144.05661	1.0
145.06517	7.6
145.10161	1.0
147.04407	1.7
147.08029	1.1
149.05956	4.5
152.06161	5.8
153.06982	9.1
154.07773	2.3
155.08530	8.8
157.06490	7.1
157.10110	1.8
159.08096	1.2
160.05164	2.2
161.05962	13.7
163.07512	5.6
165.06984	10.2
166.07761	3.3
167.08554	18.8
168.05725	1.0
169.06493	6.9
169.10123	3.2
170.07219	1.0
171.08055	7.5
172.05124	3.6
173.05974	32.9
173.09497	0.8
174.06731	2.8
175.07582	5.0
176.04773	0.8
177.07011	1.4
178.07806	1.5
179.08536	6.9
181.06479	14.1
181.10095	3.8
182.07190	4.1
183.08054	14.7
184.05232	1.1
185.05959	4.6
185.09634	3.8
186.06772	3.3
187.07553	16.5
189.05469	2.3
189.09152	4.0
191.08556	1.8
193.06470	1.8
193.10123	3.3
194.07295	8.6
195.08046	100.0
196.08582	1.0
197.05959	3.1
197.09613	21.5
197.11337	1.7
198.06793	3.1
199.07509	15.9
199.11197	1.2
200.08337	2.0
201.09084	12.4
202.07870	0.8
202.09712	0.8
203.08669	1.2
203.10690	2.1
204.09267	0.9
205.10120	3.3
207.08058	6.5
207.11626	1.6
208.08734	1.2
209.09607	7.7
210.06677	1.5
211.07539	11.4
211.11165	2.4
212.08286	1.5
213.09097	38.9
214.09708	1.1
215.10585	5.1
219.08078	2.3
219.11700	1.2
220.08871	1.8
221.09581	9.9
223.07536	2.0
223.11183	5.8
225.09056	5.4
227.10686	4.7
229.08528	1.6
229.12144	1.2
231.08095	1.0
233.09671	5.0
235.11188	3.7
237.09114	1.8
237.12776	2.8
239.10675	3.3
247.11221	3.3
248.12048	1.2
249.12712	1.3
249.16635	0.9
251.10695	2.0
251.14151	1.0
253.12218	1.3
253.15839	1.5
256.14572	3.3
259.11078	1.2
260.12054	0.9
261.12750	1.3
261.16449	1.3
265.12274	0.9
266.13000	1.0
267.13757	1.3
269.15305	1.1
277.15881	2.5
279.14319	1.4
279.17374	7.9
283.17093	0.9
284.13971	3.9
287.14011	0.9
287.16779	0.9
289.15872	6.8
291.17474	2.9
293.15201	0.8
295.16840	3.0
297.14966	1.3
297.18576	2.1
299.16275	1.8
305.15244	2.3
307.16907	52.9
309.18512	4.9
313.17957	1.9
321.18460	1.7
323.16434	11.0
323.20023	1.6
324.17053	1.0
325.17978	29.5
333.18542	1.9
335.20038	1.5
337.18152	2.2
339.19568	1.2
341.17596	4.2
343.19037	9.5
345.18442	4.2
347.19965	1.6
351.19467	1.8
355.19266	0.8
358.17578	1.0
359.18466	1.3
361.19739	0.9
362.73303	0.8
363.19583	9.4
365.21097	2.5
369.20847	1.0
381.20612	12.5
383.22266	2.2
397.20105	4.3
399.21671	15.5
415.21033	3.6
417.22821	9.9
455.24368	1.0
605.33197	1.1
613.32977	2.6
631.33661	3.3
649.34668	3.0
651.28625	0.8
664.34094	0.9
705.37671	3.6
723.39038	5.2
741.40222	4.9
759.40869	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
54.13555	1.4
55.01864	5.8
55.05257	2.3
55.05508	33.4
57.03181	2.4
57.03436	36.2
57.07072	2.6
59.71623	1.5
61.02907	6.0
65.03926	4.5
67.05501	72.9
69.03423	9.2
69.06718	1.8
69.07065	26.2
71.04980	9.7
72.90321	1.4
73.02917	2.8
73.96918	1.4
79.05489	76.6
79.05951	3.7
81.03413	67.9
81.07053	92.9
83.04973	19.7
83.08618	30.6
85.02418	2.6
85.02898	38.8
85.06535	9.1
91.03953	2.9
91.05473	90.6
93.07037	89.1
95.04961	34.2
95.08601	60.9
95.09225	2.5
97.02868	9.7
97.06528	10.7
97.10180	9.0
99.08088	6.0
103.05421	1.7
105.07026	71.3
107.04945	10.1
107.08589	51.7
109.02819	2.3
109.06506	12.2
109.10149	19.4
111.04436	4.2
111.08073	17.5
111.52763	1.3
113.06007	2.4
113.09619	2.5
115.05444	2.9
117.06997	21.3
119.08574	62.3
121.06491	3.8
121.10140	39.2
123.08050	8.6
123.11662	7.0
125.09631	3.9
127.03911	2.9
128.06223	2.0
129.05450	1.8
129.07001	22.5
131.08563	40.0
133.06433	2.8
133.09099	2.5
133.10120	53.1
135.08014	3.2
135.11687	25.3
137.09592	5.2
139.11110	2.7
142.07790	4.8
143.08583	8.4
145.10115	25.9
147.08002	6.0
147.11684	48.4
149.09608	10.2
149.13252	16.5
151.11151	3.8
155.08597	3.4
157.10118	24.6
157.11308	2.7
159.11674	20.7
161.09589	1.6
161.13242	16.7
163.11151	5.1
163.14801	3.1
165.12741	5.4
169.10123	2.7
171.11652	10.0
173.13197	9.3
175.11171	19.7
175.14784	8.8
177.12764	3.5
183.11708	2.7
185.13216	8.8
187.14815	13.3
193.12236	53.2
195.11719	1.9
195.13632	2.2
197.13216	2.5
199.14813	6.2
201.16362	2.9
202.62848	1.6
205.15869	5.3
211.13283	78.4
219.17418	2.3
221.18910	3.5
227.12749	3.2
229.14339	3.3
231.17326	1.6
231.21095	4.4
241.19504	18.7
257.18887	2.3
259.20566	47.4
267.15875	30.3
269.17432	2.7
275.20114	2.5
277.21613	32.7
285.16962	100.0
293.21191	7.8
306.44443	1.4
315.23193	5.2
333.24228	39.4
351.25281	71.4
352.25803	2.0
433.30930	3.1
451.32147	3.3
461.28839	2.2
463.30371	2.2
469.32898	2.1
469.84918	1.7
479.29849	2.4
485.32724	3.0
495.29523	2.1
503.33508	8.6
507.34186	1.8
525.35956	10.8
543.36768	42.6
561.37848	70.6
705.41443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.6
55.01875	7.8
55.05511	29.4
56.83251	2.7
57.03432	20.2
57.07050	5.9
65.03918	4.8
67.05167	6.1
67.05496	69.3
69.03427	8.3
69.07063	21.3
70.77915	9.5
70.78246	3.3
71.04980	6.1
79.05482	72.7
81.02921	4.8
81.03408	79.0
81.07047	69.0
83.04977	20.7
83.08614	36.9
83.27990	3.4
85.02887	33.3
85.06535	6.5
91.05470	99.2
93.07031	73.0
95.04955	36.7
95.08603	42.3
97.02901	6.9
97.06499	10.2
97.10181	6.3
101.63209	3.4
105.07018	86.5
107.04954	9.6
107.08595	38.7
107.49907	3.8
109.06534	8.8
109.10129	15.6
111.04404	4.3
111.08061	11.9
111.20127	3.4
113.05977	4.8
115.05381	3.4
117.07012	26.6
119.08569	72.4
121.06483	3.4
121.10125	36.1
123.08070	4.0
125.09566	5.6
129.06999	24.7
131.08563	44.1
133.06462	7.2
133.10120	62.6
135.11671	18.5
142.07785	6.2
143.08551	13.7
145.10092	27.7
147.11662	53.2
149.09607	10.4
149.13243	10.4
149.34837	3.6
151.50337	3.3
155.08528	3.6
157.10106	35.2
158.01138	3.8
159.11684	26.4
160.44829	3.3
161.13246	27.5
163.11121	5.4
169.10117	5.8
171.11685	13.9
173.13266	11.1
175.11205	19.7
175.14804	12.0
185.13213	12.7
187.14847	4.9
193.12210	54.2
199.14812	5.1
203.88890	3.3
211.13243	62.7
227.12793	4.0
229.14180	4.5
231.21077	8.3
241.19499	23.5
254.13815	4.2
259.20532	70.4
267.15851	32.5
283.15305	4.3
285.16956	87.7
315.23203	9.0
333.24219	72.8
335.25946	4.1
342.30212	3.5
433.31000	9.8
451.31772	12.4
469.32925	5.9
507.34464	5.5
515.36682	6.8
525.29797	3.5
525.35944	41.6
543.36713	100.0
651.38110	3.9
766.70282	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	757.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.53102	0.9
55.01886	1.7
55.05504	3.1
57.03436	7.6
59.04998	1.8
61.02928	1.3
65.03952	1.6
67.05499	2.7
69.03100	0.9
69.03416	4.9
69.07063	1.3
71.00591	0.8
71.00961	2.8
71.01361	2.6
71.04990	28.6
73.02924	3.1
75.04489	3.5
79.05502	1.8
81.03438	2.5
81.07032	2.0
83.04993	3.5
85.02900	36.9
85.06549	1.1
87.04487	2.8
91.05495	3.1
93.07061	2.0
95.04980	4.8
95.08624	2.2
97.02909	4.5
99.04491	2.6
101.06061	1.4
103.05473	4.6
105.03403	3.3
105.04541	1.0
105.07042	2.6
107.04954	2.3
109.02884	1.7
109.10108	1.0
111.04470	3.9
119.04941	9.2
121.02867	34.8
121.06563	1.8
123.04424	98.6
124.04727	1.6
127.03944	2.8
129.05519	3.6
131.04956	3.0
133.06500	1.8
133.10133	1.3
135.04442	1.1
137.02383	1.0
137.05939	4.4
137.55516	1.0
139.03964	0.9
145.02850	2.2
147.04446	4.2
149.06049	2.4
151.03931	2.7
151.07591	1.1
153.05527	3.2
161.05977	1.3
161.09645	1.0
163.03972	1.2
165.01849	3.0
167.07095	2.9
171.06340	1.0
174.03062	1.2
175.03905	1.3
177.01895	2.2
177.05461	2.2
179.03445	2.9
179.07088	3.7
181.05101	1.1
183.02954	3.5
187.03938	1.3
189.01790	4.9
189.78462	0.9
191.03453	1.6
195.02867	11.6
195.04298	1.0
197.04449	1.3
197.18553	1.0
201.01930	1.1
203.03368	5.5
205.01349	2.3
207.02936	8.4
207.06523	2.1
215.03394	1.6
216.04192	2.3
217.04939	1.5
219.02972	2.1
221.04420	2.3
225.03870	1.6
229.05016	1.4
231.02924	2.3
235.05988	1.3
239.07268	1.1
255.06528	2.5
267.06403	1.7
268.07394	3.4
271.05954	6.0
279.06677	1.6
282.05319	1.4
283.05975	27.7
283.08939	1.4
284.06293	1.2
293.04568	5.8
293.08041	1.9
294.05173	5.5
295.06000	100.0
296.06772	7.3
297.07501	6.2
307.06000	50.4
308.06754	23.2
308.10242	1.2
309.04254	1.7
309.07654	7.5
311.05466	7.2
313.07071	1.7
319.06119	3.1
320.06894	3.0
321.07556	13.9
322.04825	1.3
323.05566	12.9
323.09073	2.1
325.07047	32.9
333.07706	3.2
335.05453	4.9
335.09274	5.2
336.06140	1.4
337.07043	59.5
339.08771	2.0
349.07104	16.8
351.08594	3.6
353.06613	1.6
361.07172	7.4
363.08762	3.4
365.06674	6.9
367.08252	4.8
379.08249	4.3
391.07977	7.7
403.08304	2.1
409.09390	4.5
411.08600	2.8
416.09274	1.4
417.09680	17.6
421.09152	6.1
429.09628	20.9
429.15237	1.2
439.10233	55.6
440.10657	2.1
441.09723	2.7
449.12289	25.2
451.11093	1.7
457.11288	59.3
458.11197	1.2
459.10751	23.7
483.12540	8.5
485.10889	3.2
491.13330	13.1
513.11780	1.3
515.13580	3.2
543.13165	2.5
545.14227	1.1
561.13928	11.6
579.14960	42.2
580.15521	2.0
585.15259	1.2
593.16644	4.1
603.17310	3.6
605.16595	2.6
611.17566	73.1
612.07257	1.0
612.17950	3.5
725.21155	4.9
757.23352	88.0
758.23987	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	754.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
55.05492	4.5
67.05501	22.2
69.07055	3.0
69.61471	9.0
70.88886	1.4
71.20378	1.3
76.55847	1.4
79.05491	14.4
79.82940	1.5
81.03413	17.0
81.07052	29.7
83.04948	4.0
83.08611	3.8
84.52025	1.4
85.06560	1.9
91.05477	14.7
93.07037	22.8
95.04971	8.4
95.08595	23.3
97.06496	2.1
105.07036	9.1
107.04953	14.1
107.08590	9.9
109.06525	1.7
109.10114	4.2
117.06996	6.6
119.08582	5.6
121.06464	2.8
121.10131	5.6
123.04432	3.1
123.08073	7.8
131.04884	1.6
131.08559	4.7
133.06343	1.6
133.10098	4.9
135.08009	2.1
135.11687	9.9
141.06903	2.0
143.08600	1.6
145.06467	7.9
145.10121	4.5
147.11691	2.0
149.13222	5.6
159.08070	1.8
159.11722	10.0
169.10106	3.5
177.12688	4.4
187.11153	8.2
195.13737	2.6
205.12097	1.5
223.13295	2.5
225.15027	1.3
241.14296	6.8
243.21056	1.8
246.54057	1.4
261.22177	6.4
279.15897	100.0
280.16205	3.6
297.16946	20.1
335.25781	11.4
539.37201	9.4
557.38330	31.9
558.38281	2.1
566.10205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05503	11.9
56.16607	1.2
56.96566	1.1
57.03440	6.6
67.05499	13.9
69.03433	4.7
69.07054	6.8
71.04987	4.2
71.61022	1.9
79.05489	17.8
81.03413	38.2
81.07049	18.5
83.04983	4.3
83.08615	14.2
85.02895	3.4
85.06545	3.3
91.05467	12.5
93.07024	13.7
95.04964	15.3
95.08606	8.4
97.02881	3.0
97.06522	3.7
97.10165	15.2
105.07022	9.3
107.04952	10.8
107.08591	10.0
109.02867	1.5
109.06511	10.1
109.10139	5.2
111.04401	2.0
111.08083	4.8
113.79064	1.0
113.93016	1.0
117.06205	1.0
117.07010	4.2
119.04932	2.0
119.08566	11.4
121.06473	8.5
121.10135	9.2
123.04405	1.7
123.08070	3.4
123.11695	2.8
125.06004	1.4
125.09618	13.1
127.03941	2.4
129.07016	7.9
131.04944	3.7
131.08559	8.5
133.06503	3.7
133.10121	4.8
135.08035	4.6
135.11728	3.4
137.05963	4.1
137.09613	2.0
141.07018	2.2
143.08546	2.8
145.06526	6.0
145.10141	4.3
147.04414	2.8
147.08026	3.5
147.11690	6.7
149.05902	1.8
149.09608	4.8
153.09091	3.3
155.08563	2.5
157.06415	1.9
157.10126	6.6
159.08051	2.6
159.11678	2.6
161.06006	2.0
161.09610	2.7
163.11168	3.1
165.12672	1.5
167.06996	3.1
167.08363	1.3
167.10686	2.4
169.10204	1.5
171.11699	1.4
173.09689	1.3
173.13319	2.1
175.11168	6.7
185.09634	1.3
187.11143	1.7
189.11264	5.9
189.12727	1.8
193.08551	1.3
193.12221	13.9
195.11755	1.8
197.09668	1.6
197.13242	2.1
199.11194	3.0
201.12819	1.2
205.12219	1.4
211.11307	1.2
211.13243	1.3
212.43692	1.2
215.14403	2.0
217.12268	1.8
219.13744	3.2
223.13297	1.1
225.12730	2.2
227.12746	3.8
233.15303	3.4
237.12848	2.1
255.14021	1.7
259.13266	2.1
267.13010	1.7
267.15906	34.1
271.06149	2.1
273.14688	5.4
285.17090	2.2
293.17368	1.7
331.20483	1.3
339.23248	2.4
349.21613	4.3
350.29321	1.0
357.24310	1.8
367.22641	10.4
385.23761	19.4
386.23999	1.4
403.24661	7.6
429.51901	1.2
429.78809	1.3
441.26401	7.7
459.27368	100.0
460.27841	2.4
477.28473	97.0
478.28690	2.6
491.29926	13.4
501.28229	2.9
509.31161	6.9
541.34460	1.5
567.29547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05510	0.7
57.03432	4.9
61.02936	0.6
69.03432	0.9
69.73819	2.6
69.74244	1.9
71.01350	0.8
71.04988	23.8
73.02911	0.7
75.04488	0.9
83.04961	1.6
85.02897	27.9
87.04455	1.1
89.54726	0.7
97.06538	0.6
99.04458	1.1
109.02877	1.2
111.04441	1.1
121.02872	3.6
123.04420	0.9
127.03919	0.8
129.05447	3.6
137.05928	1.5
145.05006	0.9
147.06500	0.8
163.03841	0.8
164.07036	0.7
165.01964	0.8
177.05374	0.8
179.07037	0.8
207.07709	1.1
213.05460	0.7
216.26505	0.7
217.04976	2.5
228.04095	1.1
241.04877	0.9
243.02844	1.8
245.04483	1.0
271.02380	4.2
271.05750	0.8
281.04398	1.1
282.05255	1.3
283.02390	9.8
283.05981	3.9
284.03040	1.5
285.03894	4.4
287.05484	5.5
292.03671	0.8
293.04355	1.0
295.02386	5.0
295.05551	1.1
303.04770	3.6
307.05884	6.1
309.03876	3.7
313.03336	12.4
319.06119	1.2
323.05420	3.3
331.04489	2.5
335.05273	1.6
337.03302	0.8
341.07312	0.8
357.07596	0.8
359.09888	0.7
373.07040	1.2
374.07782	2.6
377.01855	1.1
379.04501	1.2
383.09204	1.0
385.07172	1.5
389.06235	4.0
390.07202	1.6
399.08670	1.3
401.06601	8.8
402.07294	56.3
403.08023	6.2
410.07724	2.6
411.08658	4.2
413.06509	4.0
415.08072	1.9
417.09915	1.0
424.09503	1.5
425.10175	0.8
427.08139	2.1
428.08865	8.4
431.07587	100.0
432.07932	3.9
434.06357	1.3
437.06439	0.9
441.09549	2.4
442.10742	0.8
449.07965	1.2
455.07596	7.4
456.08380	6.7
461.08633	41.4
462.09149	0.9
468.08316	2.2
469.08994	3.1
473.08893	0.8
480.08533	3.0
481.08942	0.9
485.08676	11.5
487.10281	8.2
491.09683	68.0
492.10144	3.2
497.08548	12.4
499.12143	0.7
501.11407	1.0
515.09680	64.4
516.10065	2.9
527.09943	4.3
533.10748	1.3
539.09784	3.3
545.10822	24.6
557.10785	16.6
575.11823	26.4
576.11719	1.1
593.12878	41.6
594.13165	1.8
611.13861	10.9
739.18207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.7
59.94197	1.0
69.03424	2.1
71.61040	1.3
85.02899	2.8
86.68495	1.1
88.42060	1.1
89.03921	2.6
96.33733	1.0
97.02885	1.3
98.97583	1.5
100.98997	1.2
101.00893	2.6
107.93134	1.0
109.02879	1.4
116.98602	1.6
117.03362	7.7
119.01910	16.6
131.01909	4.3
133.03494	2.1
137.02953	5.6
143.01880	13.3
145.02757	31.7
147.01389	2.0
147.04408	1.7
149.02914	1.7
149.05966	3.2
155.01880	8.1
157.03474	4.4
161.02948	25.6
162.03084	1.0
163.04558	1.1
167.01978	3.1
169.03452	2.8
171.05048	1.2
173.02950	18.9
175.04390	1.1
177.05457	100.0
179.02052	1.6
184.04593	1.1
185.02953	24.5
185.04596	1.8
187.04494	3.7
191.04060	2.5
194.04240	1.1
196.04520	1.3
197.02934	8.4
198.06007	1.2
199.04654	1.5
203.03984	11.0
207.06525	3.5
209.03108	1.0
211.04636	1.2
215.04027	6.5
220.02138	2.4
221.03062	1.9
221.05077	2.3
223.04587	1.7
227.04105	5.3
233.05090	1.5
234.03754	3.9
235.04521	17.6
237.02838	1.6
238.03232	2.4
239.04021	2.0
244.02222	2.5
245.02550	2.4
245.05048	49.0
246.05133	1.9
252.04790	1.2
253.05475	6.2
256.02155	1.3
257.05078	3.2
258.03729	1.7
259.04691	15.6
262.03192	8.0
263.06198	5.5
265.05499	1.5
271.04535	1.7
271.06757	8.6
273.06131	1.5
275.03558	1.5
275.06094	7.4
277.05649	14.0
280.04306	1.2
285.04605	2.2
287.04050	1.4
288.04541	1.4
289.05560	3.6
291.03485	2.9
291.07138	4.2
293.04837	1.4
295.06638	29.0
296.06757	1.2
299.04013	4.3
302.77448	0.9
303.06393	1.3
305.07144	6.5
309.07941	6.5
313.07718	7.8
317.04828	6.4
318.08148	2.4
319.06567	2.1
321.07999	2.0
325.07571	1.3
331.06647	2.7
333.08105	1.2
335.08359	3.5
337.07709	6.0
359.05359	1.9
365.09372	6.7
373.03995	2.9
377.05920	3.9
379.08533	9.7
381.06705	2.2
391.05045	11.1
395.06714	4.3
397.09763	8.1
409.06253	4.7
419.08124	2.5
421.10004	1.1
427.07236	4.1
433.06271	3.7
435.07813	1.5
445.08176	2.4
451.07089	20.1
451.12231	1.4
461.09213	7.7
463.07172	4.0
469.08237	26.2
479.10156	4.0
481.08237	8.6
487.09387	4.0
493.09024	1.5
499.09088	3.3
511.09113	5.0
529.10577	3.9
535.08954	4.5
547.10864	1.5
553.10339	14.9
557.11969	2.4
559.14893	4.7
571.11389	10.9
589.12378	4.7
715.14972	4.0
733.16412	7.4
751.17438	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05502	1.1
57.03432	1.7
61.02924	5.8
67.05499	6.1
67.46739	0.4
69.03429	4.2
69.07066	1.4
70.24810	1.8
71.01321	0.5
73.02914	4.5
79.05480	3.8
81.03397	2.4
81.07053	6.7
83.08630	1.2
85.02896	6.3
87.04465	0.9
89.06010	0.4
91.03952	4.6
91.05476	2.2
93.07024	4.5
95.04960	0.6
95.08595	5.3
97.02881	6.0
97.06538	0.5
99.04481	0.9
101.02390	1.5
103.03957	0.6
105.07030	2.1
107.08604	2.7
109.02895	0.9
109.10172	1.5
115.03945	0.4
117.07021	0.6
119.08563	1.9
121.10146	2.8
123.08082	0.5
123.11718	1.2
127.03934	1.5
131.08580	1.0
133.10146	0.9
135.11751	1.0
145.04996	0.6
145.10161	0.8
147.11691	2.3
149.13185	0.4
159.11702	0.5
161.13368	0.5
165.12758	1.0
167.18904	0.4
179.14316	0.6
179.36473	0.4
185.04199	0.6
187.14941	0.7
203.05312	0.9
221.22322	0.4
243.08485	1.7
251.12561	1.6
269.12457	0.9
287.13489	0.4
335.25836	1.1
385.32312	0.5
417.82053	0.5
423.31253	1.4
425.21301	0.5
469.20230	4.8
519.29248	7.6
583.81390	0.4
747.42822	100.0
748.42816	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	749.555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01860	4.7
55.05504	30.0
57.03419	3.6
57.07067	10.7
57.66182	2.1
59.04964	2.9
67.05498	49.6
69.03426	10.5
69.07062	36.8
70.73103	7.4
71.04988	6.1
71.08631	5.4
79.05483	35.3
81.03410	19.9
81.07047	100.0
83.04976	4.1
83.08613	18.5
85.02898	8.7
85.06551	2.8
85.10155	2.7
90.74035	2.3
91.05474	33.1
93.07027	53.1
95.04974	7.3
95.08597	94.3
97.02875	5.7
97.06524	5.4
97.10160	12.2
99.04464	4.5
99.08078	2.8
105.07021	37.9
107.04957	4.3
107.08589	32.4
109.02876	3.6
109.06525	5.5
109.10143	53.1
111.04429	5.9
111.11703	6.4
115.60567	2.3
117.06981	11.4
119.08550	25.8
121.06474	3.7
121.10119	31.5
123.04415	3.9
123.08077	2.1
123.11690	30.4
125.13301	3.2
127.03938	4.4
128.06216	2.7
129.06998	8.7
131.08568	17.4
133.10107	19.9
135.11685	25.6
137.13220	10.6
139.11200	4.2
142.07750	3.3
143.08586	6.5
145.06448	2.4
145.10052	14.6
147.08031	3.8
147.11703	17.3
148.07227	2.5
149.00227	2.6
149.09746	2.4
149.13220	25.4
151.14836	8.1
155.08598	3.7
157.10147	7.4
159.11667	13.3
161.13251	9.3
163.11151	2.4
163.14790	10.4
165.16428	2.5
169.10088	4.9
171.11601	3.6
173.13295	5.4
175.14821	5.1
177.16449	8.8
179.18054	2.5
183.11650	5.5
185.09656	2.3
185.13231	4.3
187.11214	2.9
187.14769	3.4
189.16370	3.6
191.17929	3.5
193.12218	2.9
199.11282	2.5
199.14728	2.9
203.17957	3.0
211.10992	2.6
213.12755	4.2
217.19467	4.9
261.22073	7.0
267.15753	3.3
273.25735	13.3
279.26831	3.1
291.23618	2.8
291.26794	10.1
297.27908	6.2
303.23056	5.3
309.27911	9.8
313.27448	5.7
315.22983	5.3
351.22995	4.6
369.24286	11.2
387.25174	12.1
405.26309	8.2
411.70676	2.3
417.29742	3.0
445.14706	2.5
530.07312	2.3
749.43140	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16693	0.3
53.03936	0.5
55.01857	0.5
55.05500	1.1
57.03431	1.6
61.02922	5.4
65.03936	0.4
66.32592	0.3
67.05493	4.8
69.03426	3.1
69.07051	1.4
69.51362	2.1
69.51774	0.9
71.01360	0.4
71.04986	0.7
71.05988	0.3
73.02908	3.7
79.05481	2.9
81.03394	1.8
81.07048	7.3
83.08611	0.7
85.02894	5.5
85.06542	0.5
87.04451	0.6
91.03954	3.8
91.05470	2.5
93.07016	3.4
93.67198	0.3
95.08595	4.1
97.02882	4.6
97.06520	0.5
99.04448	1.3
99.08106	0.5
101.02361	2.1
103.03926	0.5
105.07017	2.5
107.08549	1.7
109.02866	0.7
109.06529	0.4
109.10164	1.3
115.03922	0.4
117.07000	0.5
119.08553	2.1
121.10140	2.1
123.08093	0.7
123.11697	2.3
127.03065	0.3
127.03862	1.6
131.08536	0.5
133.10104	0.7
135.11682	1.0
137.13194	0.4
145.04990	0.5
145.10149	0.5
147.11676	4.3
149.13274	0.8
149.71014	0.3
159.11674	0.5
161.13234	0.7
161.96413	0.3
165.12738	1.5
179.14297	0.8
185.04245	1.0
203.05318	0.9
212.63297	0.3
215.11238	0.3
222.82280	0.3
229.14215	0.4
243.08380	2.0
251.12660	1.9
269.12399	1.0
285.16806	0.4
287.13376	0.6
307.15170	0.9
335.25836	0.6
341.68936	0.3
423.30942	2.6
425.21457	1.0
469.20322	10.1
519.29126	4.5
529.51941	0.3
614.70978	0.3
702.30994	0.4
703.44147	0.7
728.19885	0.4
747.42767	100.0
748.43317	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01864	0.5
55.05498	1.2
57.03440	1.8
57.07058	0.4
58.02099	0.3
61.02919	5.7
67.05504	5.1
69.03423	3.7
69.07065	1.6
71.04980	0.6
73.02917	4.6
79.05487	3.4
81.02967	0.5
81.03412	3.5
81.07054	5.2
83.08612	1.2
85.02900	5.3
85.51622	0.4
87.04495	0.7
88.46064	0.3
89.06036	0.4
91.03959	3.4
91.05476	2.6
93.07034	4.4
95.04972	1.2
95.08591	4.0
95.09155	0.4
97.02890	4.9
99.04475	1.0
101.02386	2.1
103.03971	0.6
105.07046	1.5
107.08597	1.9
109.02885	0.9
109.10164	1.5
117.07028	0.6
119.08609	1.2
121.10159	2.2
121.10907	0.3
122.27631	0.4
123.11754	0.4
124.10017	0.4
127.03951	1.3
129.07039	0.5
131.08591	1.1
133.10149	1.1
135.11703	1.0
145.10030	0.4
147.11690	0.8
157.10222	0.6
159.11740	0.7
161.13255	0.5
173.13261	0.5
185.04196	0.5
193.12299	1.4
197.34058	0.4
211.13252	0.8
243.08464	2.2
251.12552	5.5
281.40988	0.3
307.15103	0.5
314.86041	0.4
335.25732	1.0
357.95004	0.4
469.20474	4.8
519.29260	8.2
519.41510	0.4
578.78076	0.4
585.38092	0.4
738.32654	0.4
747.42847	100.0
748.42889	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.21910	0.2
55.01861	0.4
55.05512	1.2
57.03439	2.0
59.04997	0.2
61.02921	6.4
65.03901	0.2
67.05502	4.7
69.03426	3.2
69.07064	1.2
71.01344	0.3
71.04982	0.7
72.61603	0.2
73.02912	4.4
76.48135	0.2
79.05491	3.2
81.03411	2.8
81.07054	5.3
83.01358	0.2
83.08620	0.7
83.41032	0.2
85.02900	6.1
87.04459	0.5
91.03945	4.5
91.05473	2.5
91.42985	0.2
93.07039	4.0
95.04965	1.1
95.08601	4.0
97.02885	4.6
97.06541	0.2
97.10168	0.4
99.04430	1.0
101.02378	2.2
103.03930	0.4
105.07027	2.0
107.04967	0.3
107.08588	1.7
109.02897	0.6
109.06548	0.3
109.10133	1.3
111.08114	0.5
115.03966	0.5
117.06998	0.4
119.08569	1.6
121.10143	1.6
123.08079	0.2
123.11726	0.4
127.03935	1.8
127.82955	0.2
129.07007	0.4
131.08557	1.0
133.06528	0.2
133.10129	1.0
135.11710	1.0
142.00922	0.2
145.03381	0.2
145.04933	0.3
145.10133	0.5
147.11713	0.7
149.09604	0.2
149.13318	0.5
157.10161	0.4
161.13300	0.5
173.13226	0.3
175.11223	0.3
185.04266	0.7
193.12308	0.8
203.05293	0.6
211.13362	0.4
243.08391	2.3
243.10658	0.2
247.72469	0.3
251.12611	1.3
269.12424	0.4
307.15335	0.3
335.25906	0.8
469.20456	4.3
469.27069	0.3
519.29260	7.7
585.37231	0.2
747.42834	100.0
748.43158	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01865	0.4
55.05515	1.1
55.09623	0.2
57.03440	1.9
59.04976	0.2
61.02926	5.4
65.03937	0.3
67.05502	3.8
69.03434	3.3
69.07077	1.0
70.59070	0.7
71.01357	0.6
71.04290	0.2
71.05000	0.5
73.02916	4.0
79.05490	2.8
81.03416	3.0
81.03846	0.3
81.07048	3.9
83.08604	1.1
84.72902	0.2
85.02901	6.1
85.25619	0.2
87.04476	0.5
88.62532	0.2
91.03951	3.0
91.05476	3.0
93.07039	2.9
95.04961	1.6
95.08603	2.7
97.02889	5.1
97.06483	0.3
97.10210	0.2
99.04474	0.8
99.08109	0.2
101.02380	2.1
103.03922	0.4
103.57005	0.2
105.07031	2.2
107.04952	0.4
107.08582	1.4
109.02879	0.8
109.06487	0.3
109.10162	1.0
111.04443	0.2
111.08054	0.3
112.30598	0.2
115.03955	0.4
117.07040	0.3
119.08578	1.6
121.10132	1.4
123.11777	0.3
127.03942	1.7
127.07546	0.2
129.06995	0.7
131.08580	1.0
133.10139	1.2
135.11703	0.6
142.07809	0.3
145.04866	0.2
145.10176	0.5
147.08047	0.2
147.11702	1.0
149.09633	0.4
149.13342	0.3
155.11899	0.2
157.10176	0.8
171.11710	0.2
173.13190	0.3
175.11217	0.7
180.36917	0.2
185.04210	0.6
193.12193	1.3
203.05295	0.2
211.13365	0.7
222.90883	0.2
235.86278	0.2
243.08421	2.3
251.12637	1.3
267.15726	0.2
269.12372	0.2
285.17023	0.2
307.15244	0.5
335.25824	0.4
469.20444	8.1
519.29388	4.3
585.38544	0.3
676.48560	0.2
747.42859	100.0
748.43109	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	746.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01875	1.4
55.05262	1.1
55.05512	20.8
57.03440	12.0
57.07075	7.2
61.02919	2.1
65.03923	1.3
67.05503	29.2
69.03418	1.7
69.07064	38.4
69.20100	0.9
70.03230	4.8
71.04982	3.4
71.08622	3.4
78.34382	0.9
79.05492	15.1
81.07055	82.7
83.04978	5.8
83.08131	1.5
83.08617	24.4
85.02889	3.4
85.06538	5.5
85.10171	2.5
91.03928	1.2
91.05477	17.3
92.57829	0.9
93.07047	12.6
95.04967	1.7
95.08604	34.4
97.02879	2.0
97.06529	6.5
97.10164	12.0
98.20827	1.8
99.08104	3.5
105.07027	28.0
106.60302	0.9
107.08588	15.2
109.00813	0.9
109.06538	4.9
109.10149	10.3
111.08089	1.6
111.11691	3.1
113.05967	1.2
115.07545	0.9
119.07745	0.7
119.08568	21.7
121.10137	26.7
123.08062	4.1
123.11707	29.3
125.09602	1.6
127.07539	2.5
131.25795	0.9
133.10143	2.2
135.11702	5.6
137.13243	2.1
145.10100	1.0
147.11682	65.0
149.13222	3.5
157.10118	2.2
165.12753	24.5
175.11153	1.7
177.16425	1.1
183.13795	2.3
193.12259	2.1
229.14420	4.6
247.24219	3.1
265.25177	5.7
267.15900	100.0
285.16946	99.7
286.17007	1.1
339.28931	100.0
340.29337	1.7
357.29736	1.1
506.77615	0.9
549.41486	99.8
550.41681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05496	0.6
56.43200	0.5
57.03433	2.0
57.07085	0.5
60.26685	0.5
61.02926	4.1
67.05508	4.4
69.03427	2.2
69.36053	1.8
69.36476	3.9
73.02904	3.0
79.05494	2.3
81.03413	4.2
81.07055	4.4
83.08626	1.4
85.02898	4.5
91.03966	2.3
91.05499	1.9
93.07057	2.7
95.04958	1.5
95.08637	2.9
97.02888	3.7
98.20773	1.1
99.04469	0.7
101.02374	1.4
105.07049	1.9
107.08600	1.6
109.02918	0.9
109.10165	1.0
111.08074	0.7
118.89429	0.6
119.08600	1.8
121.10180	1.3
123.11728	0.6
127.03950	1.8
129.06999	0.8
131.08569	1.3
134.42867	0.5
135.11705	0.9
147.11716	1.0
148.78212	0.5
149.13361	0.6
157.10188	0.5
175.11263	0.9
190.07574	0.5
193.10837	0.5
193.12207	2.7
211.13365	1.7
243.08490	1.9
251.12582	3.0
307.15091	1.0
335.25842	0.7
423.31403	0.8
434.36133	0.6
469.20343	8.6
519.29199	4.1
573.89673	0.6
747.42834	100.0
748.42657	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.1
57.03429	7.1
57.07061	4.0
60.48797	2.2
61.63706	2.1
65.03935	2.0
67.05173	3.9
67.05504	47.9
69.07069	24.7
69.98381	11.4
71.04985	4.8
79.05473	16.6
81.03338	2.6
81.07055	97.0
83.04981	6.3
83.08621	12.4
85.02902	4.1
85.06519	4.0
91.05477	19.6
91.74068	2.3
93.07044	15.0
95.08595	42.2
97.06490	10.4
97.10168	7.3
98.36388	2.3
105.07011	30.7
107.08591	11.5
109.06509	5.0
109.10143	14.0
114.39541	2.2
119.08567	24.6
121.10152	20.9
123.08073	3.7
123.11704	28.9
127.07610	3.7
133.10124	7.9
137.13246	2.7
147.11681	65.3
157.10161	3.0
165.12743	23.7
175.11162	3.9
183.13815	3.4
184.07346	2.2
229.14398	7.1
245.22624	7.7
258.80899	2.8
263.23755	9.2
267.15915	82.2
284.77789	2.5
285.16959	100.0
314.67435	2.3
337.27356	87.1
338.27414	2.6
547.39954	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01602	0.7
55.01847	0.8
55.05483	1.0
56.87362	0.7
56.96537	0.9
57.03431	6.8
61.02906	1.5
65.03932	0.9
67.05487	1.5
67.22201	0.7
67.97408	0.6
68.99803	1.1
69.03426	1.7
70.06567	1.0
71.01341	0.9
71.04989	38.0
71.59901	0.8
71.60300	1.0
73.02884	2.1
74.29388	0.7
75.04466	2.3
81.03397	1.2
81.07051	1.2
83.04963	2.5
85.02902	44.4
86.03196	1.3
87.04466	0.8
91.05471	1.2
93.07034	0.9
95.04961	8.0
95.08606	1.0
97.02879	1.8
99.04437	1.2
103.05496	0.9
107.04949	1.4
109.02914	1.0
111.04473	1.5
116.98625	0.9
119.04913	4.6
121.02849	8.4
121.06510	1.4
123.04424	83.3
124.04752	1.1
129.05458	5.7
134.99586	0.9
136.07533	0.8
137.02351	1.4
137.05936	1.2
137.69202	0.7
145.02792	3.5
147.04416	2.4
147.06514	1.2
149.02222	1.2
153.01782	0.8
158.77925	0.7
163.03926	1.4
165.01826	2.5
165.05493	7.6
167.03406	2.0
167.07010	1.2
170.56219	0.7
175.03842	1.3
177.01868	1.1
179.03529	1.0
181.04965	1.0
183.02840	4.1
187.03821	1.1
189.01801	1.0
191.03377	1.5
195.02879	3.5
203.03383	2.1
206.04559	1.9
207.02869	1.9
219.02917	1.0
229.01233	1.8
229.04930	1.2
239.07011	1.2
255.06270	0.7
265.08890	0.9
267.06482	7.5
268.07175	0.8
270.05182	2.8
271.05899	6.5
279.06290	1.4
281.05017	1.2
281.07983	5.8
283.05991	88.1
284.06607	11.5
285.07336	0.9
287.05450	1.5
291.06274	1.0
293.04623	0.9
293.08041	1.2
294.05243	3.2
295.05988	40.2
295.08929	1.4
296.06586	1.9
297.04193	1.0
297.07602	2.5
305.08090	2.1
307.06012	18.1
308.06693	6.7
309.03903	7.1
309.07556	22.5
310.07947	1.1
311.05444	2.6
313.07034	100.0
314.07278	4.8
319.05893	2.7
321.07526	8.1
323.05508	2.4
323.09109	13.2
325.07092	7.5
327.04977	1.0
333.07605	5.7
335.05469	4.5
335.09174	2.2
337.07034	51.8
338.07474	2.8
339.04874	2.8
339.08582	2.7
343.08389	0.8
347.09128	2.6
349.07065	15.0
350.07382	1.2
351.08475	4.4
353.06665	1.7
354.06729	0.9
361.07013	14.7
362.07104	1.0
363.04855	1.7
363.08850	1.9
363.45947	0.9
365.06342	2.1
367.08069	12.7
375.08728	2.0
377.06601	1.2
379.08044	18.4
383.07666	0.9
385.06906	1.5
387.08603	4.4
391.08221	4.3
397.09116	14.0
399.08597	1.9
400.09314	2.8
403.07993	2.8
413.10141	3.3
415.10226	67.1
416.10449	2.1
417.09750	6.2
421.09198	2.5
427.11606	1.0
429.09772	7.8
433.11313	15.1
435.10687	6.6
439.10092	5.0
441.09778	2.8
447.10532	6.4
453.10046	1.0
457.11343	6.5
459.10648	19.0
460.10883	1.4
477.11789	43.7
478.12003	2.2
483.10403	3.9
501.11768	24.6
502.12219	1.5
513.11884	5.0
525.11890	2.5
531.12933	12.6
543.12830	8.3
561.13879	16.7
562.14270	1.8
579.14984	64.1
580.15216	3.4
597.16010	45.2
598.16248	3.1
658.34442	0.9
725.19977	1.1
743.21466	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	1.6
55.05509	11.9
57.03435	10.1
57.07070	2.0
59.04999	0.6
61.02921	2.8
61.69404	0.6
65.03936	2.3
67.05499	45.4
69.03424	1.6
69.07063	14.0
69.07447	0.7
71.04981	3.8
71.06020	1.3
73.02908	0.7
73.06556	0.6
79.05486	27.4
80.82790	0.6
81.03419	0.9
81.07051	84.3
82.07397	0.7
83.04974	4.7
83.08617	8.6
84.12195	0.5
85.02905	2.9
85.06526	4.5
91.03946	1.1
91.05472	22.7
93.07039	28.1
95.04967	3.4
95.08598	35.4
97.02901	1.6
97.06526	5.8
97.10154	1.4
99.08093	3.2
101.06031	0.7
105.07023	32.4
107.08585	19.0
109.06528	4.0
109.10150	10.4
111.08083	1.5
113.06076	0.7
117.07003	2.9
119.08572	25.1
121.10136	27.6
123.08067	3.2
123.11699	28.7
125.09557	0.7
127.07553	2.1
129.07024	1.4
131.08562	5.3
133.10127	6.4
135.11679	8.0
137.09583	1.1
137.13248	3.0
139.11201	0.7
141.09122	1.3
145.10130	6.2
147.11674	53.4
149.13243	4.3
151.14850	0.8
157.10144	1.9
159.11670	3.7
161.13206	2.9
163.14810	1.9
165.12741	21.1
171.11632	0.6
173.13274	3.5
175.11205	2.1
175.14841	1.1
177.16400	1.4
183.13815	3.6
187.14787	1.5
193.12323	1.7
207.81778	0.7
211.13228	1.0
215.17941	0.7
229.14330	5.7
243.21100	7.3
261.22116	21.1
267.15897	64.3
268.16162	2.0
279.23135	2.6
285.16946	100.0
286.17261	1.1
317.24734	3.7
335.25781	82.5
336.26093	2.6
353.26639	3.5
453.33575	0.9
471.34946	1.4
527.37256	6.8
545.38330	66.9
546.38782	2.9
563.39691	3.6
622.81512	0.8
701.82471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05251	1.3
55.05507	12.4
57.03190	0.8
57.03440	9.0
57.07071	1.0
60.77647	0.8
61.02916	1.8
65.03926	2.0
67.05499	41.7
69.03426	0.9
69.06719	1.2
69.07063	15.3
70.13564	0.7
71.04982	2.2
71.05991	1.9
73.02924	1.1
79.05488	25.6
81.03411	1.1
81.07050	71.6
83.04978	4.1
83.08618	7.3
85.02897	2.7
85.06551	3.0
91.03976	1.0
91.05470	22.1
93.07037	26.9
93.07627	1.5
95.04974	2.3
95.08599	33.7
97.02876	1.8
97.06517	4.9
97.10168	1.9
99.08092	3.4
105.07021	22.7
107.08582	18.1
109.06511	3.5
109.10148	13.1
111.08099	1.7
117.07024	2.3
119.08579	20.3
119.09435	1.0
121.10141	19.0
123.08054	3.5
123.11697	18.9
124.48548	0.8
127.07559	1.8
129.07011	1.7
131.08568	5.7
133.10124	5.2
135.11691	7.3
137.09644	1.1
137.13254	2.4
141.09102	0.8
145.10130	4.8
147.11674	39.5
149.13254	3.4
157.10123	1.9
159.11696	2.7
161.13275	2.6
163.14781	2.2
165.12744	16.7
173.13226	2.8
175.11131	1.6
177.16406	1.3
183.13823	1.8
193.12268	1.6
200.83459	0.9
208.77336	1.0
229.14320	3.5
243.21146	4.3
261.22128	12.5
267.15903	46.2
268.16260	1.1
279.20145	0.9
279.23215	2.3
285.16940	49.9
299.20007	0.9
317.24707	2.9
335.25781	100.0
336.26105	2.0
353.26697	1.2
355.16907	0.9
403.23367	0.9
471.34769	1.0
527.37177	1.8
545.38330	51.6
546.38458	1.1
563.39520	1.7
563.77539	1.0
649.53711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.0
55.01842	1.2
55.05506	9.3
57.03432	6.5
57.07042	0.8
59.04977	0.7
61.02894	1.2
64.24074	0.5
65.03913	1.1
67.05501	25.0
69.03417	2.9
69.07063	7.2
70.22170	1.0
70.22568	0.9
71.04990	2.8
75.16064	0.4
77.03909	0.6
79.05489	19.1
81.03413	28.9
81.07051	29.8
82.03686	0.5
83.04980	6.8
83.08612	13.6
85.02905	10.7
85.06507	1.6
91.03910	0.6
91.04890	0.6
91.05476	17.1
93.07040	20.5
95.04356	0.6
95.04960	12.1
95.08601	17.9
97.02879	2.4
97.06534	2.7
97.10166	2.4
99.04401	0.6
99.08072	1.1
101.05964	0.5
105.07021	13.5
107.04244	0.4
107.04951	2.1
107.08591	11.0
109.06509	3.0
109.10152	6.6
111.04395	1.2
111.08069	5.1
112.55183	0.5
113.06001	1.2
115.05365	0.7
117.06989	2.6
119.08568	13.1
121.06474	0.8
121.09299	0.8
121.10132	11.1
123.08047	1.4
123.11712	4.2
125.09596	1.2
126.41251	0.5
127.07553	0.5
129.07005	4.4
131.08559	8.2
133.06467	1.5
133.09216	0.7
133.10126	7.3
135.11688	4.2
137.09608	1.4
137.13220	0.7
142.07739	1.4
145.10098	3.2
147.08003	1.2
147.11671	14.4
149.09592	2.8
149.13214	2.2
153.12703	0.5
157.10117	7.9
159.11694	1.6
161.13196	1.5
163.11192	0.6
163.14815	1.0
165.12740	4.3
171.11668	0.6
173.13242	1.9
175.09752	0.7
175.11179	7.8
177.16431	0.5
183.13834	0.5
185.13116	0.5
187.14888	0.6
193.12231	24.9
201.16486	0.6
205.16054	0.6
211.13280	41.7
212.13641	1.2
227.12698	0.9
229.14365	1.4
243.21082	1.5
250.18250	0.4
261.22134	5.1
267.15915	15.5
268.16193	0.4
285.16946	67.2
286.17340	1.7
303.23068	0.5
317.24887	1.1
335.25784	42.2
336.26312	1.2
369.23947	0.5
410.08105	0.4
435.32373	0.9
453.33817	0.9
471.34805	1.0
491.52081	0.5
509.35806	0.6
527.37274	8.8
528.38635	0.7
545.38342	100.0
546.38702	5.8
563.39374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01860	1.7
55.05505	10.9
55.05750	0.4
57.03434	8.2
57.03691	0.5
57.07035	1.0
59.04978	0.4
61.02884	1.5
65.03905	1.4
65.61941	0.4
67.05497	30.1
69.03421	2.9
69.07059	8.2
70.04395	2.0
71.04975	2.5
73.02888	0.4
76.38705	0.3
79.05485	21.0
81.03410	30.9
81.07048	30.8
83.04977	6.7
83.08609	13.4
85.02895	13.6
85.06498	1.2
91.03928	0.6
91.05470	16.7
93.07034	23.1
95.04380	0.9
95.04958	13.9
95.08596	22.3
97.02879	2.3
97.06541	2.0
97.10165	3.2
99.08042	1.0
105.04493	0.6
105.07021	13.2
105.41894	0.4
107.04951	2.0
107.08583	12.7
109.06526	2.2
109.09455	0.7
109.10137	7.8
109.11713	0.4
111.04433	0.9
111.08067	6.2
113.05956	1.2
115.05397	0.8
117.06986	2.9
119.04866	0.6
119.08568	12.0
121.06470	0.6
121.10130	11.9
123.08029	1.4
123.11676	3.2
125.09645	0.9
126.93936	0.4
127.03876	0.5
128.06172	0.4
129.06989	4.7
131.08553	8.7
133.06468	1.3
133.10120	6.3
135.11674	5.1
137.09570	1.3
137.13216	1.0
142.07704	0.9
145.10133	3.2
147.07991	1.7
147.11670	9.5
149.09599	3.6
149.13231	2.7
157.08919	0.6
157.10112	7.3
159.11668	1.7
161.13239	1.9
163.11142	0.6
163.14745	1.1
165.12741	2.0
171.11586	0.6
172.80583	0.4
173.13203	1.8
174.70921	0.3
175.11172	7.9
175.14766	0.7
177.12732	0.4
183.11589	0.3
183.13846	0.4
187.14784	1.0
189.11276	0.5
193.12224	21.2
211.13268	29.3
215.50551	0.4
229.14267	0.9
243.20961	1.4
261.22101	5.4
267.15887	6.2
285.16931	33.4
287.35214	0.4
317.24625	1.2
335.25769	58.5
336.26111	1.5
355.17285	1.0
373.18307	0.5
417.31613	0.4
435.32336	0.9
453.33652	0.6
509.36520	0.4
527.37262	7.0
545.38318	100.0
546.38702	3.9
563.39471	0.4
618.62805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72517	0.9
53.03930	3.3
55.01861	2.3
55.05505	14.4
55.05754	1.8
57.03431	13.9
57.07055	1.9
61.02913	3.7
65.03923	1.4
67.05496	46.9
67.93542	0.8
69.03419	2.5
69.07056	10.6
70.53357	3.2
71.04994	4.8
73.02895	0.8
79.05486	37.8
80.34238	0.9
81.03410	41.6
81.07047	45.5
83.04975	11.3
83.08613	18.8
85.02901	17.6
85.06528	1.8
91.03940	1.4
91.05469	28.4
93.07030	35.7
95.04958	18.4
95.08592	31.8
97.02880	3.2
97.06516	5.0
97.10156	2.9
99.08086	1.5
105.07018	21.9
107.04946	4.5
107.08582	18.0
109.06536	4.4
109.10146	10.3
111.04440	2.1
111.08084	7.4
113.05991	2.3
115.05437	1.0
117.04776	0.9
117.07011	4.6
119.08569	20.3
121.06540	0.9
121.10131	18.4
123.08045	2.6
123.11678	4.4
125.09613	1.2
127.03947	1.0
129.07004	6.5
131.08553	12.2
133.06493	1.5
133.10114	13.8
135.11665	7.6
137.09642	1.1
137.13213	1.6
138.63452	0.9
142.07777	1.8
143.08557	1.2
145.10114	3.8
147.08032	2.6
147.11674	13.0
149.09610	3.7
149.13263	3.4
157.10118	8.0
159.11670	3.6
161.13222	2.6
163.14803	1.4
165.12718	2.2
173.13232	2.7
175.11174	8.4
175.14836	1.6
185.13222	0.9
187.14873	1.6
193.12221	33.0
211.13266	43.1
243.21095	3.0
250.33182	0.8
261.22079	10.0
267.15869	13.4
285.16934	53.7
317.24661	3.0
335.25763	78.7
336.26187	2.7
435.32455	2.1
453.33359	1.4
509.35617	1.0
527.30298	0.8
527.37390	12.7
545.38312	100.0
546.38562	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01865	3.0
55.05505	19.9
57.02034	0.7
57.03431	17.5
57.07065	1.4
59.05004	1.1
61.02931	4.2
64.76536	0.7
65.03922	2.1
67.05499	52.9
69.03433	4.7
69.07063	12.8
70.75172	2.3
71.04984	5.1
73.02902	1.3
74.94620	0.6
79.05485	41.0
80.08564	0.9
81.03410	52.5
81.07049	51.7
83.04977	13.8
83.08609	23.2
85.02898	27.2
85.06540	2.2
91.03934	1.5
91.04885	1.6
91.05472	38.8
93.07038	40.3
93.63514	1.0
95.04961	25.2
95.08596	34.4
97.02875	5.4
97.06525	5.1
97.10143	4.6
99.08079	1.7
105.07025	25.6
107.04943	5.5
107.08584	20.0
109.06496	6.0
109.10145	12.6
111.04404	2.1
111.08070	10.7
111.82227	0.7
113.05999	1.8
115.05460	1.8
117.07024	5.2
118.98306	0.8
119.08575	23.5
121.06504	1.3
121.10131	19.8
123.08076	3.1
123.11707	5.6
125.09634	2.0
129.06990	9.1
131.08569	16.1
133.06451	2.5
133.10120	13.3
135.11696	8.2
137.09607	2.2
142.07793	2.8
143.08563	0.9
145.10136	6.6
147.08063	1.8
147.11674	16.6
149.09592	6.0
149.13239	3.7
157.10114	14.5
159.11699	4.4
161.13280	1.9
163.11220	1.2
163.14780	1.7
165.12700	3.6
173.13214	3.5
175.11180	13.4
175.14795	0.9
185.13232	0.8
187.14854	1.9
193.12221	44.0
194.26588	0.7
197.28723	0.7
199.14919	0.8
206.41017	0.7
211.13272	76.9
212.13657	1.0
221.15433	0.7
227.12773	1.3
243.21094	2.5
261.22174	9.8
267.15933	13.3
284.72549	0.8
285.16940	79.5
286.17279	1.6
301.25116	1.2
317.24826	2.9
335.25772	77.2
336.26065	2.9
435.32510	1.9
453.33597	2.5
471.34555	1.3
527.37311	12.9
545.38336	100.0
546.38800	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	741.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01852	1.4
55.05267	0.6
55.05508	8.4
55.64721	0.4
56.17437	0.4
57.03412	1.9
59.04978	0.5
59.56752	0.4
65.06401	0.4
65.38146	0.4
67.05501	7.0
69.03413	0.6
69.07066	2.1
70.77133	1.6
71.04984	0.7
75.01560	0.4
77.03886	0.4
79.05485	4.9
81.03403	0.7
81.07059	6.0
83.04946	1.2
83.08614	2.9
85.06541	0.5
91.05467	3.4
93.07011	1.8
95.04945	1.2
95.08597	3.4
97.06512	0.4
97.10188	2.2
103.05465	1.0
105.07007	1.9
107.08606	2.2
109.06530	0.6
109.10144	1.7
115.05446	1.6
117.07014	2.7
119.08588	0.8
119.74868	0.5
119.91521	0.4
121.10152	0.7
123.04420	4.3
123.08041	0.7
123.11697	0.5
125.09597	1.8
128.06239	1.5
129.06981	3.4
131.04909	1.7
131.08559	1.3
137.05962	0.7
141.06972	4.1
142.07640	0.5
143.04903	1.6
143.08539	2.4
144.05698	1.0
145.06468	3.6
145.10100	0.6
147.04373	1.0
147.07990	0.7
149.05937	2.4
152.06197	4.3
153.07005	6.9
154.07741	1.2
155.04898	0.9
155.08546	6.1
157.06496	7.8
157.10112	0.7
158.07263	0.7
159.08017	1.0
160.05188	1.2
161.05962	6.3
162.97040	0.5
163.07567	2.7
165.06990	9.9
166.07768	2.5
167.08556	15.6
168.05682	1.1
169.06471	5.7
169.10139	2.2
170.07201	1.0
171.08075	3.9
172.05185	2.5
173.05974	16.1
173.09694	0.6
174.06693	1.2
175.07585	2.7
177.06970	1.0
178.07761	2.7
179.08545	6.2
180.05701	0.8
181.06473	12.9
181.10071	3.3
182.07254	3.9
183.08047	14.1
183.09669	0.8
184.05125	1.1
184.08618	0.5
185.05951	3.3
185.09560	2.8
186.06781	1.3
187.07536	8.0
189.05453	1.0
189.09137	1.4
190.07732	0.7
191.08542	2.9
192.09335	0.7
193.06429	2.6
193.10121	4.0
194.07249	10.1
195.08044	100.0
196.08577	2.8
197.05984	2.3
197.09610	22.1
198.06720	2.3
199.07533	9.7
200.08264	1.4
201.09105	5.9
202.07751	1.0
203.06944	0.8
203.08606	1.6
204.09326	0.7
205.10153	3.1
206.07275	0.6
207.08041	9.6
207.11632	1.4
208.08774	1.6
209.09592	8.7
209.13266	0.8
210.06778	0.8
210.10220	0.6
211.07527	12.8
211.11035	2.3
212.08252	1.5
213.09085	23.3
214.09735	1.0
215.06989	0.8
215.10565	2.3
217.10167	1.1
218.07227	0.5
219.08051	3.1
219.11673	1.2
220.08824	2.5
221.09595	11.0
222.10355	1.2
223.07509	1.9
223.11166	6.7
223.62636	0.5
224.08263	1.2
225.09155	3.8
225.12643	0.5
227.07121	0.9
227.10651	2.0
229.08426	0.7
229.10350	0.5
231.08049	1.1
232.08713	1.0
233.09599	5.2
233.13260	0.7
234.10332	1.6
235.11189	6.2
237.09082	1.8
237.12747	1.5
238.09839	0.9
239.10649	2.6
241.12245	1.0
245.09570	0.8
247.11151	2.0
248.11996	1.5
249.09023	0.6
249.12711	1.5
249.16441	1.3
251.10669	2.3
251.14323	1.4
253.12257	0.8
253.15895	1.4
256.14502	2.8
259.11151	1.1
261.12775	1.3
261.16342	1.0
263.10577	0.7
263.14209	0.7
265.12289	1.1
267.13803	0.8
269.15475	0.9
271.14618	0.5
275.14249	0.5
277.15884	4.2
279.17404	6.8
281.15350	0.9
281.18726	0.5
283.13089	0.5
284.14099	2.2
285.14734	0.5
287.16617	0.6
289.15891	5.4
291.17395	5.0
295.17001	3.2
297.18579	0.6
299.16309	1.1
305.15338	2.6
305.18555	0.6
307.16910	43.4
308.17230	1.4
309.18411	5.2
311.16440	0.6
315.15900	0.6
317.19003	1.3
319.17059	0.9
321.18524	2.1
323.16406	13.7
324.17111	1.4
325.17969	15.6
326.18256	0.7
333.18283	1.8
335.19998	1.1
337.17957	1.9
339.15784	1.0
339.19507	1.0
340.16763	1.5
341.17398	5.7
343.19150	4.8
345.18469	4.4
347.20041	3.5
349.17905	0.9
351.19589	1.9
355.18967	0.8
358.17615	0.9
361.17795	0.9
363.19501	10.4
364.19901	0.6
365.21130	3.2
379.18948	1.9
381.20599	11.5
383.22250	3.6
397.20102	7.5
398.20435	0.6
399.21591	10.3
415.21161	4.9
417.22672	3.5
419.22028	0.6
437.23102	0.8
489.21368	0.9
585.33362	0.6
595.31476	1.3
613.33118	4.1
631.34247	4.7
649.34998	1.9
651.34760	0.5
664.33789	1.4
669.35822	0.8
682.34692	1.6
687.36475	1.3
700.35529	1.8
705.37836	6.1
723.38885	8.8
724.39111	0.8
741.39917	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	741.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69754	1.0
55.01868	1.4
55.05505	8.0
56.96539	1.3
57.03408	2.3
67.05503	7.3
68.63522	1.0
69.07055	2.8
69.59046	2.2
69.59460	7.8
76.99860	1.0
79.05486	4.7
80.79008	1.4
81.07048	6.0
83.08617	2.7
85.02872	1.2
91.05471	3.2
92.88419	1.2
93.07037	4.1
95.04950	1.4
95.08587	4.5
97.10154	3.6
98.21472	2.3
103.05495	1.4
105.07005	2.0
107.08601	2.3
109.10141	3.0
115.05450	2.4
115.85690	1.1
117.07032	2.8
119.08588	1.6
123.04444	4.4
123.08051	1.4
125.09601	1.8
128.06226	1.4
129.06995	4.6
131.08537	1.8
135.11702	1.3
141.06967	3.3
143.08549	1.2
144.05783	1.2
145.06451	3.1
149.05952	2.1
152.06181	4.4
153.06953	5.5
154.07841	1.9
154.15120	1.0
155.08568	6.6
157.06511	7.2
159.08096	1.3
160.05215	2.1
161.06001	5.4
163.07553	2.8
165.07001	11.3
166.07742	2.2
167.08556	12.4
168.05710	1.4
169.06523	6.3
169.10144	2.9
171.08035	3.5
172.05064	1.1
173.05992	16.9
174.06798	1.4
175.03973	1.1
175.07538	2.3
178.07741	3.5
179.08484	6.2
181.06493	11.5
181.10147	3.6
181.98785	1.2
182.07243	2.6
183.08026	12.6
184.05180	1.3
185.05992	2.8
185.09639	2.9
187.07504	7.8
189.09081	1.3
191.08533	3.1
193.06476	3.0
193.10135	3.4
193.12109	1.1
194.07213	10.0
195.08044	100.0
196.08562	4.3
196.91975	1.1
197.06107	2.8
197.09628	23.2
198.06805	2.4
199.07510	9.9
200.08316	1.4
201.09087	5.0
203.08612	2.7
203.10719	1.4
205.10120	3.1
207.08078	7.5
207.11758	1.6
208.08775	1.4
209.09624	11.3
211.07527	13.9
211.11157	3.1
213.09102	26.4
215.10544	2.0
218.07281	1.8
219.08115	3.0
219.11641	1.4
220.08847	2.2
221.09595	13.4
222.10182	1.8
223.07480	3.3
223.11101	5.6
225.09119	4.4
227.10628	3.1
233.09622	5.4
235.11198	4.0
237.09160	1.7
239.10587	2.2
247.11137	3.9
249.12604	2.4
249.16281	1.3
251.10672	2.2
253.12122	1.3
261.12741	1.9
269.10745	2.3
277.15900	4.6
279.17514	5.8
284.14133	1.9
287.11505	1.7
289.15839	5.9
291.17419	2.8
295.16946	3.3
299.16519	1.2
305.15347	3.2
307.16919	42.6
308.17468	1.5
309.18527	7.3
319.16632	1.4
321.18359	2.2
323.16403	17.0
324.16919	1.5
325.17947	17.1
335.20041	1.5
337.18192	2.6
340.16708	2.3
341.17285	6.2
343.19009	4.9
345.18369	4.4
347.19965	3.7
351.19489	2.4
361.17950	2.3
363.19540	10.7
365.21036	3.2
379.18973	2.2
381.20615	12.9
382.20673	1.4
383.22064	3.4
397.20239	6.6
399.21667	9.0
415.21146	4.8
417.22864	3.0
487.18466	2.7
585.33795	1.8
613.32715	4.3
631.34045	5.8
649.34949	2.9
664.33466	1.6
705.37640	5.0
723.39087	10.4
741.40027	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	731.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
57.03408	0.2
69.03403	0.3
69.07043	0.1
69.42127	0.2
69.42549	0.5
71.01327	0.1
71.04648	0.1
71.04989	1.0
73.02921	0.1
75.04475	0.1
77.57495	0.1
79.05470	0.2
81.03386	0.1
81.07021	0.3
83.01219	0.1
83.04955	0.2
84.08157	0.1
85.02414	0.1
85.02898	1.8
85.06517	0.1
91.05443	0.1
93.07011	0.1
95.04964	0.1
95.08575	0.2
97.02862	0.2
99.04430	0.1
105.07012	0.2
107.04961	0.1
107.08582	0.1
107.61187	0.1
107.90559	0.1
109.02882	0.1
109.10131	0.2
111.04368	0.1
111.07901	0.1
119.04912	0.1
121.10076	0.1
123.11671	0.1
124.01599	0.1
127.03888	0.3
129.05444	0.3
131.04913	0.1
133.10065	0.1
137.05984	0.3
143.08453	0.1
145.04935	0.1
145.10098	0.1
147.11780	0.1
151.07523	0.2
153.01813	0.7
159.11655	0.1
161.05972	0.2
164.51503	0.1
167.07002	0.3
169.06461	0.1
170.02118	0.1
171.02879	0.2
173.13222	0.1
175.03882	0.1
177.05501	0.1
179.06810	0.1
191.07094	0.1
207.06506	0.2
208.05220	0.1
226.06189	0.2
237.05403	0.2
241.04866	0.3
242.05748	0.3
253.04919	0.8
254.05719	3.3
255.06409	0.2
268.07269	0.2
270.05209	0.7
271.05969	0.6
286.04697	15.0
287.05066	0.3
292.07376	0.1
293.08026	0.2
295.05856	0.4
295.09039	0.1
297.07739	0.1
305.08054	2.8
306.08844	0.6
319.05878	0.1
321.07608	0.1
323.05411	0.2
333.07562	0.8
334.08334	0.9
344.06757	0.2
361.07028	0.5
362.07813	4.1
363.08386	0.2
365.06537	13.8
366.06891	0.3
372.06021	0.1
377.06448	0.3
378.07144	0.4
379.08093	4.1
380.08606	0.1
389.06525	0.1
390.07312	4.0
391.08057	1.1
393.05984	6.1
394.06641	0.3
405.05975	0.3
406.37811	0.1
407.07584	18.7
408.08340	7.3
409.08710	0.3
422.09665	0.2
423.10684	100.0
424.11014	2.9
429.30258	0.2
447.30783	0.2
483.33801	0.1
569.14532	0.1
585.15741	0.5
731.21326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
52.96525	0.1
57.03413	0.1
67.01826	0.1
68.99468	0.1
68.99788	0.2
69.03403	0.1
69.50935	0.6
71.04990	0.8
73.02898	0.1
75.04448	0.2
78.55151	0.1
83.04971	0.1
85.02425	0.1
85.02892	1.0
91.05447	0.1
91.72962	0.1
107.08589	0.1
119.00256	0.1
119.04938	0.9
121.02834	0.4
127.03889	0.2
129.05441	0.2
137.09621	0.1
145.02798	0.4
147.06477	0.1
153.01810	1.9
163.03903	0.3
171.02893	0.5
171.04347	0.1
174.29123	0.1
187.03828	0.1
200.38701	0.1
225.05350	0.2
229.04967	0.1
243.06555	0.3
247.06091	0.1
271.05975	100.0
272.06345	1.1
283.05887	0.5
284.06802	0.2
285.64993	0.1
295.05878	0.3
296.06592	0.1
305.11621	0.1
307.05844	0.1
309.07736	0.1
313.07056	0.9
323.09125	0.1
337.06976	0.3
397.09036	0.2
415.10034	0.2
416.34610	0.1
433.11267	27.1
434.11557	0.3
559.14069	0.1
579.16974	0.5
595.16040	0.4
741.21344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
53.50780	0.4
55.01853	0.5
55.05480	0.4
56.96530	0.6
57.03431	4.0
63.09726	0.4
69.03389	1.0
69.07011	0.7
71.04985	23.4
71.59458	0.6
73.02872	1.0
75.04442	1.0
81.03392	1.0
81.66911	0.4
83.04948	1.3
85.02898	28.5
87.04409	1.1
91.05432	0.6
95.04922	0.9
95.08588	0.6
97.02868	1.0
98.97553	1.1
105.07011	0.7
109.02817	0.7
111.04430	1.0
116.98593	1.0
119.04892	1.3
121.02843	4.4
123.04369	0.5
127.03845	0.9
129.04333	0.4
129.04515	0.4
129.05466	4.2
133.02751	0.6
137.05908	1.4
141.01750	0.8
144.45715	0.4
145.02765	1.8
145.04875	0.5
147.04285	0.6
147.06445	0.7
153.01740	0.8
158.99506	0.4
163.03853	1.2
165.01790	3.0
167.03362	1.9
175.03899	0.5
177.01889	0.8
177.05252	0.6
179.03406	0.7
181.04907	0.5
183.02908	3.5
187.03835	0.5
191.03564	0.6
195.02879	1.8
195.06496	0.5
205.04886	1.4
207.13889	0.6
229.04866	1.0
233.04404	0.6
239.06992	0.9
243.02783	0.7
249.10017	0.4
255.06393	0.9
261.03894	1.1
267.06488	9.3
270.05203	2.7
271.05994	39.0
272.06409	0.6
281.08038	6.2
283.05991	100.0
284.06708	8.8
285.07507	1.1
295.06046	12.6
295.09552	2.5
296.06134	0.7
297.04196	0.8
297.07544	3.3
305.08109	2.8
307.05948	2.5
308.06769	1.6
309.04059	1.3
309.07523	20.6
311.05743	0.9
313.07025	90.7
314.07306	1.8
321.07651	2.0
323.05670	0.7
323.09085	15.0
325.07062	0.7
333.07468	4.2
335.05350	0.6
337.07025	38.9
338.07272	0.6
349.07019	12.9
350.06955	0.5
351.08627	4.5
361.07016	11.2
367.08078	6.3
379.03214	0.9
379.08093	17.0
380.08426	0.5
395.14270	0.5
397.03906	0.5
397.09140	11.3
415.10239	10.0
419.12259	1.4
433.11264	11.6
445.11469	4.8
459.12338	0.5
475.12329	26.4
499.12265	11.7
523.12012	0.5
529.13373	19.7
541.13312	5.7
559.14435	14.4
577.15472	48.7
578.16022	0.8
579.16681	0.9
595.16534	59.6
596.16498	1.2
741.22150	1.3
759.97278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
54.10321	0.1
55.01871	0.2
60.56910	0.1
65.03895	0.1
67.01859	0.7
67.05469	0.3
68.99771	0.6
69.03416	0.7
69.07059	0.3
69.42905	1.1
69.43311	0.2
73.03735	0.1
79.82444	0.1
81.03417	0.2
81.07042	0.5
83.01326	0.1
83.04946	0.2
85.02892	0.4
85.06529	0.2
86.45142	0.1
91.05467	0.6
93.03374	0.2
93.07018	0.5
95.04967	0.3
95.08591	0.3
97.02868	0.2
98.20721	0.2
100.70753	0.1
103.05431	0.5
105.07013	0.3
107.08544	0.4
109.02797	0.2
109.10150	0.3
111.04418	0.2
115.05417	0.2
117.06973	0.2
119.04890	0.2
119.08558	0.3
121.10134	0.3
123.04400	0.3
123.11725	0.2
125.05950	0.1
127.03878	0.4
129.06975	0.2
131.04893	0.4
135.11705	0.2
137.02318	0.2
137.05946	0.5
137.13307	0.2
139.03874	0.4
141.06863	0.2
145.06474	0.5
147.04404	0.3
147.11710	0.2
151.03873	0.4
153.01811	20.5
154.02145	0.2
155.03389	0.3
159.08022	0.2
161.06004	0.3
163.03912	1.4
163.07468	0.2
165.05460	0.2
167.07048	0.4
167.08405	0.2
169.06427	0.1
171.02858	0.5
171.04219	0.2
171.97055	0.2
173.05934	0.2
175.03891	1.5
175.07573	0.2
177.05443	1.6
179.03371	6.8
181.04959	0.1
185.05991	0.2
187.03900	0.4
187.07515	0.2
189.05484	0.3
190.45213	0.2
192.04170	2.4
193.04951	0.4
195.02922	0.3
201.05470	0.2
203.03340	1.7
203.07047	0.2
205.01396	0.2
205.04941	1.1
215.08594	0.2
217.04872	0.2
219.02867	9.5
219.06282	0.2
220.03355	0.2
221.05943	0.2
226.07658	0.2
229.05009	0.2
234.06731	0.2
235.07567	0.2
242.10800	0.2
244.08728	0.2
245.09669	0.3
247.07530	0.2
249.05376	0.2
255.08022	0.3
256.08856	0.2
257.09549	0.2
258.06857	0.3
259.07550	0.5
259.10995	0.2
262.06259	0.3
263.07065	0.4
271.07425	0.5
272.08191	0.4
273.05533	0.3
273.08984	0.3
275.07263	0.3
276.07837	0.2
277.04971	0.2
277.08417	0.2
279.06604	0.1
281.09525	0.2
283.07480	0.3
284.08331	0.5
285.09100	0.5
286.06305	0.3
287.07071	0.9
287.09958	0.1
288.07791	0.5
289.04904	0.5
289.08112	0.2
290.05713	0.4
291.06512	0.6
295.07785	0.2
295.11203	0.2
296.07147	0.1
299.06961	0.4
299.10370	0.3
300.07819	0.6
301.05319	0.2
301.08575	0.6
302.05835	0.2
302.09311	0.4
303.06494	0.8
303.09753	0.2
304.07245	0.3
305.08160	0.6
306.08710	0.2
307.06079	0.4
308.06952	0.3
309.08878	0.2
310.06180	0.2
310.09668	0.2
311.06821	0.4
311.10345	0.3
312.07755	0.5
313.05246	0.3
313.08609	0.7
314.05832	0.2
314.08972	0.3
315.06384	1.2
315.09558	0.2
316.07294	0.5
317.04642	0.2
317.08133	0.6
318.05099	0.4
319.05945	0.8
319.09387	0.2
324.07608	0.2
324.11655	0.2
325.08435	0.4
325.12125	0.3
327.06592	0.4
327.09970	0.3
328.07202	0.7
328.10782	0.3
329.08014	1.6
329.11581	0.3
330.08737	1.0
331.05951	0.6
331.09747	0.5
332.06769	0.5
333.07455	0.8
334.04538	0.2
335.05423	0.3
335.09857	0.4
336.06302	0.4
337.07910	0.5
338.09375	0.3
339.06375	0.5
339.10144	0.4
340.07047	1.0
340.10794	0.2
341.04453	0.3
341.08090	0.8
342.05225	0.2
342.08899	0.3
343.05966	0.9
343.09528	0.3
345.07593	0.6
346.08395	0.2
347.05472	0.4
348.10254	0.3
349.07260	0.2
351.12143	0.9
353.07782	0.3
353.11508	0.7
355.05914	0.5
355.09689	0.7
356.06778	0.8
357.07495	1.5
357.11307	0.3
358.08292	3.1
359.05457	0.3
359.09076	0.4
360.06152	0.3
361.07239	0.5
363.09702	0.2
365.07449	0.2
366.09027	0.2
367.09695	0.4
368.06650	0.3
369.03610	0.2
369.07455	0.4
369.11218	0.6
370.08276	0.4
371.05197	0.2
371.09097	0.4
371.13055	0.3
373.06818	0.2
373.10660	0.4
374.07898	0.5
375.08582	1.0
376.09528	0.2
379.09595	0.5
380.10214	0.3
381.11224	1.4
383.09149	0.6
384.05960	0.4
385.06854	0.4
387.08704	0.2
393.09824	0.9
395.11472	0.3
397.10999	1.0
398.11343	0.2
399.12445	1.8
403.08673	0.2
407.09039	0.4
410.08060	0.1
411.08578	0.2
411.28546	0.2
413.06555	0.6
415.11945	0.2
418.08362	0.2
419.09232	0.3
425.10202	0.6
429.30002	0.5
435.08606	0.5
436.09250	0.3
441.05847	0.9
443.11356	0.2
446.07660	0.3
447.08340	0.3
447.30978	0.9
448.09760	0.2
453.05502	0.2
459.12448	0.2
463.08069	0.4
464.08762	0.9
465.09869	0.3
465.32178	0.4
467.07278	0.3
469.05255	0.3
474.06900	0.2
475.08014	0.2
482.10052	3.0
483.11325	0.2
483.21844	0.2
487.12122	0.7
491.07178	0.2
492.08276	1.1
493.09259	0.6
495.07214	0.5
499.06470	0.4
505.13004	1.1
509.08560	0.6
510.09378	4.6
511.09766	0.4
513.08405	0.3
515.11438	0.4
523.14178	1.2
528.10614	1.0
533.12177	1.4
535.10010	0.3
541.14984	1.9
551.13330	9.9
552.13586	0.5
569.14355	100.0
570.14728	3.7
731.19672	0.7
731.34375	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01864	1.2
55.05511	1.6
56.46982	0.6
57.03429	2.5
57.19875	0.5
59.05000	0.7
60.59273	0.5
61.02925	4.9
64.64011	0.6
67.05499	3.0
69.03427	4.8
69.07068	1.9
69.39851	0.5
71.03355	1.3
71.04983	1.7
73.02921	3.0
77.94527	0.5
79.05502	3.3
83.05002	1.4
83.08617	1.7
85.02901	7.2
85.06551	1.0
87.04438	0.5
91.03963	2.7
91.05464	4.1
93.07054	3.7
95.04964	2.8
95.08603	3.0
97.02892	4.2
97.06538	1.2
99.04456	1.1
101.02386	1.8
103.03988	0.6
105.07009	3.7
107.08593	2.8
109.02884	0.8
109.06474	0.9
109.10165	1.9
109.39953	0.6
111.04432	0.7
111.08085	1.4
117.07027	0.5
119.04904	1.0
119.08561	3.2
121.02937	0.6
121.06519	0.7
121.10160	1.8
123.04406	0.7
123.08074	1.1
123.11703	0.9
127.03918	1.9
129.07007	1.4
129.29086	0.5
131.08574	1.5
133.10156	2.5
135.08102	0.6
137.06023	1.2
139.03914	1.2
141.06857	0.5
145.10139	1.0
147.04457	0.7
147.11746	2.0
149.09625	2.3
151.03888	1.0
157.10184	1.7
163.11317	0.7
167.07054	1.2
173.09702	0.5
175.11208	1.6
193.12251	3.3
202.12206	0.7
207.06526	1.4
211.13300	0.6
243.08438	2.6
251.12686	1.5
267.15994	1.6
283.06415	0.7
283.15240	4.4
301.07147	0.7
307.15393	0.8
315.15741	0.6
368.66721	0.6
411.87903	0.6
445.29529	0.9
463.30692	0.6
469.20413	11.3
501.23111	12.2
560.73810	0.6
622.28326	0.5
729.36609	100.0
730.36853	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	731.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01876	1.5
55.05514	1.5
57.03434	13.4
57.15288	0.6
59.05004	0.8
65.03948	0.7
66.00800	0.6
67.05504	1.8
69.03431	1.5
69.07066	1.8
71.01363	1.1
71.04990	99.6
71.63456	1.3
73.02913	2.1
73.48322	0.6
75.04459	4.2
79.05498	1.6
80.00137	0.6
80.46597	0.6
81.03416	1.2
81.07064	2.2
83.04992	2.3
83.08631	0.7
85.02901	100.0
86.03241	1.2
87.04477	3.1
88.96785	0.7
91.05471	3.3
93.07037	2.5
95.04974	1.9
95.08607	1.4
97.02878	0.7
99.04476	1.2
103.05486	2.8
105.07017	1.5
107.08581	1.6
109.02845	1.0
109.10142	1.1
111.04463	2.0
115.05484	0.7
117.15941	0.7
119.08567	1.2
121.02940	0.9
121.10192	0.9
123.04431	1.1
127.03851	0.8
129.05473	24.0
131.04910	1.1
133.10081	1.0
135.11787	1.1
135.62018	0.6
137.05983	2.6
145.10118	1.2
147.06541	3.0
147.11723	0.9
149.06058	0.8
149.09650	1.0
151.03912	0.6
151.07550	0.9
153.01823	16.1
153.05490	0.8
159.11623	1.0
167.07019	1.7
169.06505	1.1
171.11653	0.8
173.09700	0.8
175.03932	3.7
177.05466	18.4
179.03416	1.0
187.03932	1.2
195.02863	3.5
217.98599	0.7
247.02292	0.8
251.07080	0.8
259.07605	0.7
264.69049	0.6
271.05875	0.9
274.06018	0.7
275.06946	0.8
289.04868	1.5
289.21750	0.7
303.06470	1.0
307.05969	1.3
315.06693	1.0
317.04361	1.6
331.06055	1.4
332.06686	1.5
333.07516	1.1
335.05292	1.8
335.08893	0.9
337.10794	1.9
344.06720	1.0
345.07358	1.1
345.11014	0.9
350.07779	2.3
351.07806	0.7
364.09155	0.7
368.04776	0.8
373.10626	1.7
409.09174	4.1
415.11270	1.1
429.29846	1.7
435.08179	0.8
447.30789	1.9
508.07172	1.5
509.08142	0.8
521.11676	1.0
526.09033	6.3
567.12476	5.2
569.28833	1.1
585.13879	60.7
586.14264	3.7
627.14160	0.8
695.16718	1.1
730.36298	2.4
731.21344	1.0
731.35413	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	727.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
55.05469	1.1
56.27634	0.3
56.28882	0.4
56.49923	0.3
57.03432	5.6
61.02886	0.8
65.03898	1.2
67.05458	0.8
68.72827	0.5
68.99767	0.8
69.03394	1.2
69.31169	3.7
71.01318	0.7
71.04987	29.2
73.02881	0.9
75.04437	1.2
78.46380	0.4
78.51782	0.4
79.05460	0.5
80.15640	0.4
81.03379	1.4
81.07037	0.5
83.04925	1.8
85.02897	32.4
85.06526	0.5
87.04430	0.5
89.05968	0.5
91.05421	1.3
93.03358	1.0
93.06999	1.0
95.04939	0.9
95.08543	0.5
97.02887	0.9
98.20734	0.7
99.04424	0.6
103.03866	0.5
103.05481	2.0
105.03329	0.8
105.06992	1.1
107.04929	2.0
107.08527	0.8
109.02829	1.5
109.10108	0.4
111.04420	2.6
115.05477	0.4
119.04938	6.3
119.08556	0.5
121.02856	24.4
121.06451	1.3
123.04423	2.6
127.03915	0.7
129.05466	4.1
131.04907	2.8
133.02814	0.8
135.04341	0.8
137.06007	1.9
139.03809	1.2
145.02826	2.3
147.04346	1.5
147.06575	0.6
147.11600	0.4
149.05928	1.8
151.03925	2.0
157.06468	0.5
159.04420	1.3
161.05934	1.0
163.03914	0.6
163.07526	0.8
165.01773	0.9
167.07002	1.5
173.06073	0.4
175.03848	1.8
175.07431	0.5
177.01776	0.8
177.05441	1.4
179.03394	4.1
182.67087	0.5
183.02748	0.7
183.06483	0.4
187.03798	0.6
189.01862	2.8
189.05409	1.1
191.03291	0.8
195.02875	9.3
195.08124	0.5
197.04381	1.1
199.03818	1.0
201.05478	0.5
203.03369	9.1
207.02887	8.9
207.06435	1.4
211.07472	0.9
213.05487	0.5
215.03384	1.0
217.04919	5.3
221.04411	4.9
225.03864	1.6
227.03438	1.9
229.04893	0.8
233.04401	0.5
235.05971	1.8
241.04863	0.9
243.02910	1.7
245.04440	1.4
251.06982	1.1
253.04842	0.7
254.05647	0.7
255.02844	3.6
261.03995	1.0
265.08475	0.7
267.06482	2.3
268.07251	3.6
269.04437	1.0
269.07996	1.3
271.05942	5.3
273.03903	3.9
279.06488	5.0
282.05344	0.5
283.06000	9.4
284.06708	1.4
285.04239	0.4
285.07391	1.0
287.08084	0.4
292.07590	0.5
293.08136	2.1
294.05109	0.6
295.05984	100.0
296.06577	6.1
297.07593	8.4
297.10886	0.9
298.07944	0.5
299.09106	9.3
305.08032	0.8
307.05978	10.5
307.09286	0.7
308.06677	1.6
309.03918	0.7
309.07462	4.8
313.06998	1.2
317.08011	1.8
319.05939	1.5
320.06693	0.7
321.07544	26.3
323.05469	0.5
323.09164	0.4
325.07034	84.2
326.07367	2.6
333.07550	1.9
334.08353	0.5
335.09109	17.8
337.06934	2.3
339.08685	0.6
345.07462	3.3
347.05380	0.8
347.09137	1.3
349.07040	28.9
350.07434	0.9
361.07037	17.9
362.07394	0.7
363.08505	5.7
373.07047	10.6
374.07526	0.7
375.08514	0.6
379.08109	7.3
387.08682	0.8
389.06454	1.4
391.08105	17.4
392.08850	3.2
399.08395	0.9
400.09592	0.7
403.08121	1.7
409.09177	8.3
413.09958	0.9
415.07742	0.9
419.11359	3.3
421.09256	0.5
427.10339	5.4
431.11279	21.6
443.11227	7.4
457.12900	5.0
458.13211	0.5
461.12274	52.7
462.12613	1.5
465.11636	0.5
471.14954	2.4
473.12100	0.5
481.13202	0.9
485.12274	33.8
486.12692	1.3
497.12378	3.1
499.14090	0.6
509.12436	3.7
515.13336	29.2
516.13483	1.3
525.13690	0.6
527.13324	12.4
528.13751	0.6
545.14392	24.5
546.14795	1.3
563.15442	66.5
564.16022	2.9
581.16479	38.3
582.16589	1.5
607.18536	0.6
727.22504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.1
54.29824	0.1
55.01867	0.3
57.03411	0.2
59.04972	0.1
65.03941	0.2
67.05477	0.2
68.99780	0.2
69.03407	0.4
69.07038	0.2
69.90356	0.2
69.90769	0.3
71.04647	0.1
71.04990	0.9
73.02888	0.1
78.80483	0.1
79.05461	0.1
81.03400	0.4
81.07014	0.3
83.04977	0.1
85.02423	0.1
85.02897	1.8
85.06503	0.1
86.06006	0.1
87.00824	0.1
91.05443	0.3
93.07027	0.2
95.04928	0.1
95.08604	0.1
97.02863	0.4
98.21504	0.1
99.04401	0.1
103.05470	1.0
103.63171	0.1
105.01830	0.1
105.06986	0.3
107.04950	0.1
107.08526	0.1
109.02831	0.3
109.10135	0.2
111.04431	0.2
119.04929	1.4
121.02857	2.6
121.10110	0.1
123.00832	0.2
123.04391	0.3
127.03888	0.3
129.05418	0.3
131.04913	1.2
137.02347	0.2
137.05977	0.9
141.01808	1.5
145.02827	0.1
145.04945	0.1
145.06401	0.1
147.04387	0.2
147.06561	0.1
147.11626	0.1
149.05966	0.6
151.03874	0.1
151.07503	0.5
151.77930	0.1
153.01782	0.3
161.05952	0.3
161.09628	0.1
163.03940	0.1
163.07455	0.1
163.11160	0.1
165.01820	8.8
165.09045	0.2
167.07005	0.2
175.03851	0.1
177.05466	0.2
179.06870	0.1
181.04865	0.2
183.02881	9.2
184.03224	0.2
189.09026	0.1
195.02878	0.1
195.10156	0.2
198.87032	0.1
205.04977	0.1
207.06519	0.3
217.05031	0.2
234.06537	0.1
237.09030	0.1
243.06435	0.1
247.07394	0.1
255.06511	0.3
256.07233	0.1
259.05573	0.1
261.03864	0.1
267.06369	0.1
271.05991	7.2
283.05984	100.0
284.06454	3.0
285.07550	3.8
285.10794	0.1
295.05988	0.9
296.06268	0.2
297.07581	0.9
297.10999	0.2
299.05682	0.1
308.06924	0.1
309.07675	0.6
311.05447	0.2
311.12637	0.1
313.07056	4.1
314.07388	0.1
321.07513	0.2
323.05612	0.1
323.09009	0.6
325.07104	0.3
327.08569	0.2
328.12100	0.1
337.07019	1.1
343.08121	0.3
351.08578	0.4
355.08264	0.1
365.16611	0.1
367.08032	0.6
379.08124	0.6
397.09149	1.3
415.10098	1.1
419.11224	14.1
420.11362	0.4
433.11261	4.3
434.11771	0.1
445.11108	0.4
461.11707	0.2
479.20438	0.3
507.80664	0.1
563.15466	0.1
579.17047	2.9
581.16571	0.8
591.17041	0.5
709.25488	0.1
727.21942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77389	0.6
53.03899	1.2
55.01818	1.7
55.05459	1.1
57.03383	5.0
61.02887	0.9
65.03892	0.7
68.99746	1.4
69.03387	1.6
69.52457	5.6
71.04990	32.9
71.05348	1.6
73.02878	1.0
74.55900	0.7
75.04416	1.8
79.05460	1.0
79.34457	0.6
81.03365	1.3
81.06995	1.8
83.04910	1.9
84.08118	0.6
85.02903	38.0
85.85008	0.6
91.05428	2.4
93.06995	0.8
95.04914	1.8
95.08568	0.9
97.02846	0.7
97.06490	0.6
98.21539	1.2
103.05464	16.6
105.03338	1.2
105.06985	1.4
107.04965	3.2
107.08528	1.1
109.02805	2.0
109.10092	0.7
111.04389	2.1
115.05402	1.1
119.04940	4.4
121.02862	28.7
121.03723	0.9
121.06429	1.4
123.04428	4.4
127.03841	1.0
129.05467	5.6
129.15154	0.6
131.04048	0.7
131.04929	11.2
135.04330	1.3
137.05914	2.4
139.03867	1.5
145.02838	4.1
145.06441	0.8
147.04337	2.1
147.06488	0.6
147.11653	0.7
149.05997	4.9
151.03801	0.8
151.07455	0.7
153.01826	0.7
153.05313	0.6
159.04410	1.4
161.05936	0.9
163.03847	2.0
165.01787	0.7
167.06978	2.7
173.05913	0.9
175.03796	2.2
177.05403	2.4
179.03375	0.8
181.04959	1.0
185.05934	1.0
187.03853	3.5
187.07475	1.0
189.05431	1.0
190.02577	1.5
191.03349	1.5
193.04893	1.0
195.02904	1.2
197.05850	0.9
201.05386	3.3
203.03384	14.4
205.04990	5.5
207.06369	1.4
213.05444	1.5
215.03354	2.6
217.04840	1.8
219.06458	1.8
221.04420	8.4
223.07510	0.9
225.05421	1.4
227.03477	0.8
229.04895	3.8
233.04341	4.8
237.05232	0.7
241.04918	1.0
243.06433	2.2
251.07108	1.1
253.04869	1.4
255.06720	0.8
257.04364	1.2
265.08463	1.0
267.06372	1.7
269.04514	0.8
269.08124	1.0
270.05090	0.7
271.06006	18.2
277.08557	1.1
279.06482	2.8
281.04562	1.0
281.07861	0.8
283.05902	7.5
284.06696	1.4
285.07590	0.9
293.08041	1.9
294.05203	1.4
294.08603	0.9
295.06061	16.0
295.09525	1.7
297.07553	1.5
299.05594	1.3
299.09494	0.7
305.08139	4.2
307.06046	7.3
308.06732	15.3
309.07578	11.2
310.07809	1.1
313.07083	8.6
317.08234	1.3
319.09717	1.9
321.07553	42.2
322.08279	5.9
323.09210	6.4
325.06958	1.7
333.07608	7.3
334.08151	1.4
335.05371	1.1
335.09061	2.1
337.06982	1.5
343.09576	1.4
345.07587	1.3
347.09113	13.8
348.09814	0.9
349.07053	2.1
351.08600	44.1
352.09097	0.9
359.09015	1.3
361.06836	1.1
361.10727	9.0
371.09125	2.3
375.08701	6.6
379.08176	1.3
387.08685	2.3
389.10037	1.1
398.08170	0.6
399.08582	3.7
400.22070	0.7
401.10251	0.8
403.08224	1.4
405.09521	1.3
413.10339	0.9
415.09448	0.8
416.09171	0.9
417.09558	4.5
418.10342	1.0
419.11227	15.5
420.11658	0.8
431.11243	65.6
432.11673	2.6
441.09534	1.9
443.11270	14.0
445.12814	1.5
447.16342	0.7
455.11322	1.5
457.13086	18.2
458.13242	1.5
459.10861	0.7
461.12308	84.3
462.12424	3.2
469.12695	0.8
471.14487	6.5
481.12692	1.7
485.12296	52.9
486.12604	2.8
497.12335	9.6
499.13919	1.8
509.12372	9.6
510.12741	1.4
515.13361	38.0
516.13446	1.9
527.13336	21.3
545.14404	31.6
546.14459	1.1
563.15485	100.0
564.15802	4.3
581.16510	37.9
582.17108	2.0
607.17633	0.8
664.98602	0.7
727.23975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40586	0.1
55.01864	0.1
55.05495	0.1
56.96555	0.1
57.03422	0.2
59.02263	0.1
62.99001	0.1
67.01848	0.3
67.05487	0.2
68.99490	0.1
68.99822	0.1
69.03411	0.2
69.07051	0.1
69.96085	0.3
71.04989	0.5
75.04473	0.1
79.05482	0.1
81.03402	0.2
81.07056	0.1
83.04966	0.1
85.02891	0.8
91.05480	0.3
93.07031	0.2
95.04944	0.1
95.08598	0.2
97.02872	0.1
103.05452	1.6
103.06510	0.1
104.05769	0.1
105.07002	0.2
107.04945	0.1
107.08582	0.2
109.02874	0.1
109.06505	0.1
109.10143	0.1
117.07056	0.1
119.04922	1.2
119.08572	0.1
121.02851	0.5
121.10142	0.1
123.04390	0.1
123.11655	0.1
125.51917	0.1
127.03941	0.1
129.01811	0.1
129.05440	0.2
129.06941	0.1
131.04910	2.8
132.05228	0.1
133.06485	0.1
133.10127	0.2
137.05963	0.4
139.03897	0.1
143.08531	0.1
145.02818	0.5
145.10094	0.1
147.04417	0.1
147.11639	0.1
149.05954	1.5
151.03838	0.1
151.07529	0.1
153.01808	2.7
153.05429	0.1
154.02109	0.1
157.06493	0.0
159.08044	0.1
161.05922	0.1
161.09558	0.1
163.03857	0.2
163.07565	0.1
163.11174	0.1
165.09105	0.1
167.07018	0.3
169.06514	0.1
171.02864	0.7
177.05460	0.1
179.53857	0.1
187.03751	0.1
189.09224	0.1
191.07056	0.1
201.05490	0.1
203.07103	0.1
207.06386	0.1
225.05429	0.2
229.04984	0.2
243.06392	0.1
247.06024	0.1
270.04904	0.1
271.05966	100.0
272.06302	2.5
272.09311	0.1
283.06015	0.1
316.12006	0.1
316.33813	0.1
349.23633	0.2
350.23709	0.1
419.11206	5.4
420.11365	0.1
433.11240	0.3
461.28595	0.1
526.81378	0.1
579.16986	0.5
581.16260	0.2
727.22772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.4
53.03950	1.5
55.01854	1.4
55.05510	13.1
57.03437	14.3
57.07073	2.6
61.02918	3.2
65.03935	1.6
67.05505	62.1
69.03423	2.0
69.07074	17.3
71.04990	2.9
73.02882	1.2
77.92173	1.1
79.05494	38.6
79.05959	1.9
81.03426	2.0
81.07058	68.9
83.04981	4.0
83.08618	11.3
85.02905	3.7
85.06535	4.1
91.03974	1.7
91.05483	19.4
92.73004	1.3
93.07046	61.4
95.04969	5.3
95.08038	2.4
95.08609	32.8
97.02911	2.3
97.06538	6.7
97.10168	2.4
99.08060	2.0
105.07044	10.6
107.08595	33.1
109.06532	2.6
109.10152	9.6
111.08076	4.8
117.07014	6.6
118.46854	1.3
119.08586	8.3
121.10145	22.2
123.11769	3.8
131.08594	9.5
133.10155	9.2
135.11705	12.4
145.10164	3.7
147.11707	5.5
149.13258	22.0
159.11707	12.8
161.13286	2.4
173.13239	2.1
177.12750	3.4
182.33328	1.3
187.14940	1.9
195.13863	4.9
243.21117	3.7
261.22144	8.9
267.15970	2.2
269.17487	49.6
295.99466	1.2
317.24860	2.4
335.25830	49.8
336.26218	2.8
529.38879	100.0
530.39526	6.6
604.69562	1.4
726.44952	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	727.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.1
54.29824	0.1
55.01867	0.3
57.03411	0.2
59.04972	0.1
65.03941	0.2
67.05477	0.2
68.99780	0.2
69.03407	0.4
69.07038	0.2
69.90356	0.2
69.90769	0.3
71.04647	0.1
71.04990	0.9
73.02888	0.1
78.80483	0.1
79.05461	0.1
81.03400	0.4
81.07014	0.3
83.04977	0.1
85.02423	0.1
85.02897	1.8
85.06503	0.1
86.06006	0.1
87.00824	0.1
91.05443	0.3
93.07027	0.2
95.04928	0.1
95.08604	0.1
97.02863	0.4
98.21504	0.1
99.04401	0.1
103.05470	1.0
103.63171	0.1
105.01830	0.1
105.06986	0.3
107.04950	0.1
107.08526	0.1
109.02831	0.3
109.10135	0.2
111.04431	0.2
119.04929	1.4
121.02857	2.6
121.10110	0.1
123.00832	0.2
123.04391	0.3
127.03888	0.3
129.05418	0.3
131.04913	1.2
137.02347	0.2
137.05977	0.9
141.01808	1.5
145.02827	0.1
145.04945	0.1
145.06401	0.1
147.04387	0.2
147.06561	0.1
147.11626	0.1
149.05966	0.6
151.03874	0.1
151.07503	0.5
151.77930	0.1
153.01782	0.3
161.05952	0.3
161.09628	0.1
163.03940	0.1
163.07455	0.1
163.11160	0.1
165.01820	8.8
165.09045	0.2
167.07005	0.2
175.03851	0.1
177.05466	0.2
179.06870	0.1
181.04865	0.2
183.02881	9.2
184.03224	0.2
189.09026	0.1
195.02878	0.1
195.10156	0.2
198.87032	0.1
205.04977	0.1
207.06519	0.3
217.05031	0.2
234.06537	0.1
237.09030	0.1
243.06435	0.1
247.07394	0.1
255.06511	0.3
256.07233	0.1
259.05573	0.1
261.03864	0.1
267.06369	0.1
271.05991	7.2
283.05984	100.0
284.06454	3.0
285.07550	3.8
285.10794	0.1
295.05988	0.9
296.06268	0.2
297.07581	0.9
297.10999	0.2
299.05682	0.1
308.06924	0.1
309.07675	0.6
311.05447	0.2
311.12637	0.1
313.07056	4.1
314.07388	0.1
321.07513	0.2
323.05612	0.1
323.09009	0.6
325.07104	0.3
327.08569	0.2
328.12100	0.1
337.07019	1.1
343.08121	0.3
351.08578	0.4
355.08264	0.1
365.16611	0.1
367.08032	0.6
379.08124	0.6
397.09149	1.3
415.10098	1.1
419.11224	14.1
420.11362	0.4
433.11261	4.3
434.11771	0.1
445.11108	0.4
461.11707	0.2
479.20438	0.3
507.80664	0.1
563.15466	0.1
579.17047	2.9
581.16571	0.8
591.17041	0.5
709.25488	0.1
727.21942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01876	0.4
55.05504	1.5
56.21628	0.2
57.03416	0.5
57.32088	0.2
61.89104	0.2
65.03918	0.4
67.05167	0.4
67.05501	5.5
68.99792	0.5
69.03431	1.9
69.07064	1.3
70.79726	0.3
70.80074	0.6
71.04977	0.6
73.39612	0.2
79.05486	4.3
81.02981	0.3
81.03417	4.4
81.07057	5.1
83.04976	0.6
83.08606	0.7
85.02903	1.3
85.06532	0.3
91.05478	3.0
93.07043	4.6
95.04993	1.1
95.08603	3.6
97.02889	2.0
97.06579	0.3
97.10143	0.4
99.04456	0.5
105.07026	2.3
107.04950	0.4
107.08589	2.5
109.02858	1.5
109.06496	0.2
109.10148	2.1
111.00794	0.8
111.04399	0.4
111.08118	0.3
115.05437	0.2
117.07021	0.8
119.08570	1.8
121.02853	0.7
121.10135	2.3
123.04412	0.4
123.11694	0.5
127.03920	1.2
129.06992	0.4
131.08533	1.6
133.06396	0.3
133.10109	1.2
135.08032	0.4
135.11679	1.3
137.02321	2.5
137.13301	0.3
143.08545	0.4
145.04944	0.3
145.06483	0.3
145.10130	1.1
147.08061	0.2
147.11719	0.8
149.02322	0.5
149.13254	0.7
153.01808	3.0
157.10143	0.4
159.11668	0.9
161.06001	0.4
161.13251	0.8
163.03864	0.3
163.14839	0.3
165.01808	2.1
166.02577	0.4
169.10133	0.4
171.11725	0.4
173.05949	0.4
173.13245	0.8
183.02910	0.9
183.04364	0.2
183.11609	0.2
185.13235	0.2
187.03928	0.3
187.14819	0.5
201.05463	1.0
229.04941	3.9
235.13159	0.2
243.20961	0.4
247.06033	0.9
257.04434	2.8
259.20715	0.2
261.22137	0.9
274.04706	0.7
275.05573	0.3
277.21710	0.3
285.03918	1.5
303.04971	100.0
304.05328	1.8
335.25912	0.6
336.25983	0.4
341.24490	0.3
345.05896	0.6
361.66296	0.2
369.24359	0.4
380.62329	0.2
387.25195	0.4
403.09720	0.2
405.26129	0.3
527.37524	0.4
545.38037	0.3
616.20135	0.3
632.26935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05515	11.8
57.03430	10.6
57.07062	2.5
64.37509	1.5
67.05165	2.7
67.05505	42.3
69.03428	1.8
69.07064	15.6
71.04991	3.0
71.60606	1.7
75.66795	1.6
79.05487	25.9
81.03387	2.0
81.07055	75.8
82.35421	1.6
83.04981	4.9
83.08608	7.4
85.02898	1.9
85.06543	3.9
91.05479	22.1
93.07042	30.4
95.04971	6.3
95.08605	33.5
97.06525	5.8
97.10176	2.5
99.08121	2.7
105.07026	27.0
107.08599	18.3
109.06509	2.5
109.10152	11.1
111.08073	2.3
117.07020	2.9
119.08572	23.1
121.10135	18.8
123.08040	4.1
123.11705	17.8
129.07007	2.3
131.08557	5.6
133.10132	6.8
135.11688	8.3
137.13248	2.6
145.10117	4.6
147.08257	1.8
147.11679	38.2
149.09616	2.4
149.13278	6.3
157.10091	2.5
158.07468	1.7
159.11713	2.2
160.03339	1.6
161.13251	4.0
163.14789	2.7
165.12772	18.0
173.13219	3.2
183.13828	2.9
227.20024	10.5
229.14322	5.3
243.21094	4.6
261.22134	14.0
267.15918	52.7
282.45493	1.6
285.16946	51.1
314.88138	2.0
317.24561	3.5
335.25800	100.0
336.26151	3.1
425.51395	1.8
471.34586	1.9
527.37030	2.1
545.30334	3.1
545.38361	43.0
546.38281	2.3
559.05371	1.9
600.14685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01854	0.2
55.05508	1.7
57.03419	0.4
57.07055	0.4
65.03927	0.3
67.05495	4.6
68.99778	0.4
69.03428	1.1
69.07056	1.3
69.57681	1.4
71.04971	0.4
73.02917	0.2
76.81945	0.2
79.05053	0.3
79.05485	4.7
81.03416	1.3
81.07048	5.4
83.04948	0.3
83.08591	0.6
85.02889	1.4
85.06511	0.3
91.05472	2.8
93.03414	0.2
93.07030	4.4
95.04951	1.0
95.08598	3.5
97.02876	0.6
97.06499	0.5
97.10123	0.3
98.20743	0.4
99.04433	0.2
105.07021	2.4
107.04927	0.3
107.08584	2.7
109.02859	0.5
109.06527	0.3
109.10144	1.5
111.00781	0.9
111.04430	0.3
117.07000	1.2
119.08569	1.6
121.02891	1.0
121.06459	0.2
121.10137	2.3
123.04420	0.4
123.11682	0.5
127.03891	0.6
129.06993	0.5
131.08557	1.8
133.06424	0.2
133.10100	1.5
135.04376	0.2
135.11685	1.6
137.02322	3.1
137.03287	0.1
143.08531	0.4
145.06438	0.3
145.10097	1.3
147.11652	1.0
149.02351	0.4
149.13226	0.9
153.01802	3.6
157.10182	0.4
159.11737	0.8
161.05933	0.2
161.13254	0.6
163.03882	0.6
163.14793	0.3
165.01805	1.9
166.02556	0.3
169.10088	0.2
171.11697	0.4
172.87576	0.1
173.05981	0.4
173.13229	0.8
175.14911	0.2
177.48795	0.2
183.02892	1.0
183.04364	0.3
185.13390	0.2
187.14835	0.4
191.03351	0.2
201.05424	1.8
213.05484	0.2
215.03262	0.3
219.06549	0.3
229.04935	4.2
243.21095	0.7
247.05963	0.6
257.04419	2.7
259.20557	0.2
261.22122	1.9
267.15915	0.3
274.04593	0.5
275.05408	0.2
278.74280	0.2
285.03949	1.2
286.04453	0.2
299.24017	0.2
303.04953	100.0
303.76758	0.2
304.05325	2.8
315.22995	0.2
369.24219	0.6
387.25177	0.3
393.37924	0.2
405.26114	0.3
527.36395	0.2
544.83490	0.2
545.38257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2282
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
51.78029	0.1
53.03926	0.1
55.01848	0.1
55.05497	0.1
57.03435	0.8
60.14138	0.1
61.02913	0.1
67.01856	0.3
68.99488	0.1
68.99818	0.2
69.03410	0.1
69.48354	0.5
71.01349	0.1
71.04987	4.3
73.02908	0.2
75.04468	0.2
75.56264	0.1
81.03416	0.1
83.04971	0.4
85.02897	5.4
85.06564	0.1
87.04456	0.2
88.45749	0.1
91.05447	0.2
97.02867	0.2
99.04465	0.1
109.02887	0.1
111.04436	0.4
115.50910	0.1
116.58154	0.1
116.98594	0.1
119.04933	1.0
121.02857	0.5
121.10036	0.1
123.04402	0.1
127.03891	0.2
129.01759	0.1
129.05464	1.4
137.05971	0.1
145.02806	0.5
147.06503	0.3
152.82925	0.1
153.01816	2.6
153.05458	0.1
163.03891	0.3
163.05984	0.1
165.00693	0.1
171.02861	0.7
172.07645	0.1
175.07475	0.1
187.03973	0.1
203.07101	0.1
225.05394	0.2
225.64565	0.1
229.04953	0.2
239.09042	0.1
243.06421	0.2
247.06075	0.1
253.04900	0.1
271.05981	100.0
272.06320	2.2
278.78696	0.1
283.05991	0.2
295.05957	0.1
295.51810	0.1
307.06216	0.1
313.07077	0.2
337.07062	0.2
381.09473	0.1
399.10815	0.1
417.11481	0.1
433.11243	1.3
459.10590	0.1
579.17029	6.0
580.17554	0.2
725.23828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2274
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
54.46178	0.1
55.05505	0.1
57.03433	0.5
61.02932	0.1
62.12638	0.1
67.01849	0.2
68.99805	0.2
69.03406	0.1
71.04987	3.2
71.62991	0.1
73.02914	0.2
75.04462	0.1
83.04946	0.3
85.02899	3.7
87.04443	0.1
91.05488	0.2
97.02892	0.1
99.04419	0.1
111.04426	0.2
117.99818	0.1
119.04919	0.9
121.02861	0.4
129.05481	0.8
132.35216	0.1
136.07542	0.1
145.02826	0.2
147.06508	0.2
153.01822	1.9
160.47772	0.1
163.03871	0.2
171.02893	0.6
191.76405	0.1
203.07104	0.1
225.05429	0.2
229.04892	0.2
238.65092	0.1
243.06544	0.2
247.06067	0.2
259.19101	0.1
268.37112	0.1
271.05984	100.0
272.06326	3.0
272.09250	0.1
283.05865	0.2
313.07043	0.3
337.07162	0.2
363.08490	0.1
381.09729	0.2
417.11954	0.2
433.11255	1.4
579.17041	5.5
580.17261	0.2
730.78943	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	725.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.3
57.03363	3.2
59.04940	0.4
59.59367	0.3
69.03373	0.7
70.25188	1.3
71.04907	17.0
71.05346	1.6
73.02844	0.6
75.04408	0.9
79.83068	0.4
81.03367	0.7
81.06963	0.3
83.04886	1.0
85.02900	21.0
85.03361	1.2
87.04408	0.7
91.05422	0.7
105.06989	0.4
109.02815	0.8
111.04365	0.7
119.04856	1.0
121.02863	5.1
123.04322	1.2
127.03922	0.4
129.05475	2.7
137.05876	1.1
145.02754	1.1
147.04298	1.1
147.06410	0.5
148.05089	0.7
161.05940	0.4
163.03786	0.5
167.06912	0.4
175.03705	0.4
177.05403	0.4
178.04962	0.6
187.07471	0.4
197.05930	0.8
206.04414	1.3
207.04735	0.4
215.07004	3.1
221.05914	0.6
225.05379	0.6
227.07007	2.0
243.06459	0.7
245.08134	0.6
249.05438	0.9
255.06371	1.3
263.07086	0.5
265.04953	0.7
267.06488	1.5
268.03455	0.8
271.02295	1.9
271.05927	1.2
277.04852	0.6
279.06412	0.5
281.04440	0.4
282.05161	0.6
283.02271	2.9
283.05872	2.2
285.03906	0.9
291.06387	0.4
293.04297	1.4
293.07593	0.7
294.05334	0.7
295.02472	0.7
295.05951	2.0
297.03885	0.5
298.04538	0.4
305.07907	1.0
306.04712	0.4
307.05975	1.2
309.04062	0.8
309.07556	1.2
311.05493	10.5
313.06982	3.4
317.08017	0.4
319.05997	0.7
321.07562	0.8
323.05371	0.7
325.06909	0.6
329.06473	1.0
333.07645	0.4
335.05347	0.5
337.07034	0.9
341.06635	1.3
361.06921	0.5
367.08600	0.4
371.09055	0.7
373.07056	0.6
383.09045	1.0
385.06805	0.7
389.06558	13.7
390.06979	0.6
395.08896	0.6
399.08701	1.7
402.07303	5.1
403.08078	9.9
403.13361	0.5
407.07758	0.9
410.07947	0.6
411.08707	1.8
413.06012	1.9
413.11200	0.5
414.07220	1.1
415.08203	2.3
416.08908	1.4
417.09637	4.8
423.08694	0.9
424.09354	0.8
425.10358	0.5
427.07986	1.3
428.08856	5.1
429.09674	72.0
430.10040	2.3
441.09647	4.6
442.10342	0.9
443.11472	2.5
451.11548	0.7
452.09094	0.4
453.09561	0.7
455.11224	28.8
456.11664	0.9
459.10730	100.0
460.11252	2.6
467.11252	1.1
469.12817	10.6
479.11240	1.3
481.09232	0.8
483.10748	50.3
484.11203	1.2
495.10770	6.7
497.12051	1.4
507.10764	9.1
513.11823	23.8
514.12463	0.4
525.11816	16.7
526.11914	0.6
543.12872	23.2
544.13226	0.9
545.19135	0.4
561.13873	38.2
562.14056	1.1
579.14990	10.1
605.16467	1.1
725.20856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01865	1.6
55.05505	4.5
56.35623	0.7
56.96570	0.8
57.03440	4.5
58.52679	0.6
67.05496	9.5
69.03419	1.5
69.07064	5.4
69.50002	1.2
69.50414	5.7
71.04993	1.3
79.05486	8.0
80.28162	0.6
81.03415	30.6
81.07051	29.2
83.04965	2.7
83.08618	9.0
84.18697	0.8
85.02887	1.9
85.06529	2.2
91.05478	12.5
93.07047	7.0
95.04969	11.0
95.08614	6.4
97.02909	1.6
97.06510	3.4
97.10155	0.9
99.08088	1.5
101.33919	0.7
105.06374	1.2
105.07027	12.8
107.04936	2.3
107.08586	7.1
109.06500	2.6
109.10109	1.7
111.08076	3.2
113.06033	1.3
116.40874	0.7
119.08575	12.5
121.06475	1.7
121.10146	9.0
123.08070	1.8
123.11708	12.7
127.07569	1.4
129.06972	3.4
131.08540	2.3
133.06474	1.0
133.10126	3.5
135.11670	1.3
137.05916	1.2
137.09583	0.9
145.10136	1.5
147.11673	29.3
149.09607	2.4
157.10091	4.4
163.11192	1.4
165.12753	12.1
175.11151	5.4
183.13846	1.5
193.12242	13.2
211.13289	2.3
229.14432	1.8
267.15909	100.0
268.16299	1.1
285.16946	43.0
303.58578	0.8
309.16870	1.1
352.24847	1.0
403.24728	1.1
410.95276	0.9
459.27524	6.2
477.28470	51.2
478.29068	0.9
519.29047	1.3
593.52332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.9
55.01873	8.4
55.05509	28.0
57.03422	19.2
61.02908	12.4
61.32971	4.0
67.05503	63.2
69.03435	19.7
69.07069	29.2
71.04982	16.3
71.60348	4.5
73.02888	5.1
77.78107	4.5
79.05492	68.9
79.05929	3.4
81.03416	49.1
81.07056	100.0
83.04984	31.2
83.08614	23.4
85.02895	24.3
91.03951	4.6
91.05475	77.9
93.07046	69.5
95.04979	28.4
95.08605	49.2
97.02890	26.0
97.06512	10.6
97.10164	13.2
99.08067	6.8
103.05463	4.3
105.07029	58.6
107.04943	11.1
107.08596	44.4
109.02853	6.4
109.06505	10.1
109.10144	22.4
111.04417	9.7
111.08067	9.9
117.07018	20.3
119.08577	57.9
121.06542	7.3
121.10121	39.0
123.08056	5.9
123.11700	19.2
127.03902	12.5
129.05466	6.3
129.06979	20.3
131.08572	34.3
133.10152	39.0
135.08089	6.1
135.11687	17.7
135.85092	4.5
137.09645	8.1
143.08514	11.3
145.10133	22.5
147.07970	6.8
147.10597	6.6
147.11688	58.1
149.09645	8.8
149.13274	7.4
151.11185	5.9
155.08534	9.0
157.10123	26.4
159.08087	5.1
159.11699	14.4
161.13208	10.6
161.28654	4.8
163.11148	7.9
165.12755	17.2
169.10114	6.1
169.51244	4.6
171.11696	12.2
173.13257	11.1
175.11223	10.3
177.12820	5.1
181.10149	5.8
183.11696	9.1
185.13187	8.5
187.14813	4.7
193.12202	19.4
197.13190	6.4
209.13289	4.9
211.13213	25.3
227.12766	9.9
229.14223	5.1
241.19551	5.9
243.51593	4.6
259.20612	18.2
267.15884	42.1
275.20059	5.3
277.21555	10.3
285.16925	37.1
333.24191	22.6
339.22995	4.4
351.25278	20.6
429.21399	10.5
457.29572	5.8
469.33249	6.7
502.48740	4.5
519.43262	4.7
525.35608	10.3
531.09344	5.0
543.36871	45.2
561.37616	37.2
584.37579	4.6
669.39832	5.3
687.40637	6.3
705.41461	12.5
723.42627	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	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05259	0.7
55.05509	10.4
57.03434	11.3
57.07056	0.7
59.05001	0.8
63.37733	0.4
65.03935	1.1
67.05500	16.6
69.03408	3.1
69.07060	4.9
70.86711	1.1
71.04989	3.1
73.02908	0.4
79.05487	17.9
81.03413	80.0
81.07051	19.6
83.04979	8.8
83.08615	21.7
85.02898	10.1
85.06536	1.4
87.01887	0.5
91.05476	21.9
93.07043	11.0
95.04964	27.4
95.08600	7.9
97.02891	3.7
97.06532	2.8
97.10168	5.6
99.04426	0.7
99.08074	0.9
105.07025	15.5
107.04957	6.5
107.08572	6.0
109.06508	5.7
109.10149	4.1
111.04451	2.0
111.08071	8.9
113.06008	1.0
115.05446	1.4
117.07000	2.3
118.72400	0.6
119.08577	16.4
121.06478	4.4
121.10131	7.5
123.04414	1.1
123.08046	3.1
123.11668	0.6
125.09612	3.6
129.06992	9.4
131.04938	1.6
131.07588	0.7
131.08563	10.6
133.06470	3.8
133.10127	8.1
135.08011	1.5
135.11717	0.9
137.06000	1.6
137.09599	2.7
141.06938	0.8
142.07797	2.4
143.08546	0.7
145.06477	4.4
145.10155	2.6
147.04424	0.9
147.08072	3.8
147.11664	10.4
149.09598	5.6
155.08627	1.2
157.06522	0.7
157.10121	11.7
158.10431	0.9
159.08134	0.7
159.11665	0.9
161.09647	1.0
163.11205	1.9
165.12750	2.1
167.06992	0.5
169.06470	0.7
169.10130	1.2
171.08058	1.5
171.11711	0.8
173.09630	0.9
175.11169	11.2
177.12761	0.7
183.11688	0.7
185.09708	0.6
185.13280	0.7
187.11212	0.7
189.11227	1.1
189.12804	1.1
193.12234	33.0
194.12703	0.7
195.11725	1.1
197.09575	0.6
197.13261	0.7
205.12210	0.9
211.13277	14.1
213.12601	0.9
215.14441	0.6
223.13228	0.6
229.14346	1.1
233.15379	1.1
237.12833	0.6
249.14864	2.3
255.13782	1.8
259.28632	0.6
267.15900	100.0
268.16263	2.0
271.98648	0.6
273.14786	4.1
285.16940	13.8
323.19781	0.9
331.10825	0.5
339.23145	1.2
341.21188	1.1
346.25223	0.5
349.21576	2.9
367.22626	8.6
367.26904	0.4
385.23737	11.0
403.24805	3.2
405.23965	1.1
415.24881	0.7
423.25839	0.6
433.25867	14.5
441.26324	7.3
445.68503	0.5
448.40417	0.6
459.27383	73.4
460.27911	2.8
477.28473	46.2
478.28802	1.3
480.84830	0.6
491.29733	1.1
501.28360	0.6
502.06519	0.6
509.30893	1.2
519.29065	1.4
585.30768	0.9
603.32684	0.5
656.57880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64712	0.2
50.81638	0.2
51.76479	0.2
56.96562	15.3
69.49279	0.3
69.49689	1.3
71.38895	0.2
71.95271	1.1
72.96043	0.9
74.97585	0.5
79.05436	0.2
84.95998	0.4
85.02877	0.3
92.98589	0.3
96.58890	0.2
97.96844	0.4
98.20799	0.4
105.07006	0.2
110.97553	0.4
128.98592	0.4
137.02757	0.3
139.00629	0.3
141.02188	0.3
155.03775	0.7
157.01744	0.3
159.03276	1.0
165.09067	0.2
167.03809	0.3
169.05342	0.4
171.03304	1.0
173.04797	0.4
175.02705	0.3
177.04233	0.4
185.04839	0.6
189.04417	1.3
189.26819	0.2
199.02745	0.7
199.06380	0.5
203.02219	0.6
203.05840	1.3
207.05318	0.3
211.06340	0.9
217.03883	1.6
217.07457	0.6
217.59642	0.2
223.09879	3.7
229.07425	0.7
231.09085	0.3
237.08000	0.5
239.09547	0.6
241.11086	37.6
242.11452	1.1
248.04158	0.2
249.07977	0.8
255.09007	0.8
259.12158	69.0
260.12543	1.8
261.09958	0.2
261.12448	0.2
264.12735	3.6
265.13202	0.2
267.08990	6.8
268.09427	0.3
272.10181	0.2
277.13177	0.8
277.50049	0.2
282.13745	4.9
282.16641	0.4
283.13980	0.4
285.10071	30.7
286.10443	1.2
290.10666	0.3
303.11127	24.8
304.11523	0.9
305.15189	0.3
308.11664	3.8
315.02911	0.2
321.12134	0.7
323.13544	0.2
326.12766	2.3
349.14279	0.2
387.93665	0.2
477.21097	0.3
495.22617	100.0
496.22934	5.0
513.23663	0.7
536.24933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01878	9.8
55.05510	41.6
57.03439	32.2
57.07057	5.0
58.03776	4.0
60.34270	3.3
61.02914	7.5
65.03950	6.0
65.48241	3.4
67.05160	7.5
67.05501	93.0
69.03429	21.6
69.07059	25.1
69.36843	3.9
71.04993	17.0
71.62933	5.1
73.02929	6.9
79.05485	83.1
81.03415	74.0
81.07053	100.0
83.04971	25.0
83.08620	33.4
84.78874	4.3
85.02898	26.8
85.06540	11.6
91.05477	87.1
93.07037	79.9
95.04955	28.9
95.08603	64.4
97.02879	32.2
97.06532	14.3
97.10168	13.0
99.04437	6.6
99.08096	5.4
105.07021	79.5
107.04954	9.5
107.08595	54.6
109.02875	11.0
109.06532	11.8
109.10192	33.1
111.04423	13.8
111.08094	11.8
113.06001	6.9
115.05481	4.2
117.06998	28.2
119.08577	64.7
121.06459	5.1
121.10136	45.3
123.08073	13.3
123.11720	13.8
125.09605	10.7
127.03928	11.9
128.06171	5.0
129.05475	8.1
129.06989	21.2
131.08545	40.2
133.06491	4.9
133.10107	43.1
135.08081	7.0
135.11694	22.5
137.09583	5.1
141.06966	6.8
143.08592	16.9
145.10130	35.6
146.39613	4.2
147.08107	6.3
147.11678	56.3
149.05780	4.4
149.09639	7.1
149.13239	11.6
155.08537	9.2
157.06519	6.7
157.10107	24.0
159.11679	22.8
161.09590	4.7
161.13252	13.4
163.11177	9.7
165.07013	8.9
165.12759	15.1
167.08594	7.1
169.10109	9.6
171.11732	9.6
173.06059	4.1
173.09682	7.2
173.13272	13.6
175.11232	14.0
175.14789	5.8
181.06512	5.3
183.08089	7.4
183.11700	5.6
185.09634	4.9
185.13246	9.1
189.11209	5.7
189.12766	6.6
193.06595	5.1
193.10516	4.1
193.12225	25.9
194.07173	5.1
195.08073	21.9
196.98967	4.0
197.09650	11.9
199.14822	5.0
207.08040	8.2
211.07619	19.8
211.13249	35.7
213.09120	7.5
221.09673	5.9
227.12688	4.5
229.14227	4.6
231.17502	4.5
241.19450	8.4
259.20535	31.0
267.15909	33.5
277.15887	6.5
277.21597	28.9
285.16974	37.0
288.86938	3.9
295.16846	5.6
307.16907	6.7
323.16464	12.8
333.24240	24.5
336.07556	4.0
341.17371	6.0
351.25327	36.0
383.22406	5.1
397.20053	8.3
415.20795	5.0
429.21017	6.1
451.31906	6.6
469.33093	5.3
489.35840	9.1
495.29379	4.3
503.33743	5.5
525.35535	15.6
543.36652	65.0
561.37799	51.7
669.39618	6.4
687.40283	9.6
705.42169	25.1
723.41376	16.2
723.57861	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	723.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
54.59483	0.2
55.01881	0.4
65.03941	0.2
66.04727	0.8
67.05500	0.4
69.03429	0.2
70.09595	0.5
70.10005	0.3
77.03935	0.2
79.05496	1.1
81.07048	0.9
83.04966	0.1
85.02892	0.3
85.06535	0.2
91.05475	2.1
91.69788	0.2
93.07050	0.4
94.04179	4.1
95.04941	0.7
95.08598	0.2
96.65921	0.1
97.02902	0.2
98.20798	0.2
103.05462	5.5
105.03411	0.2
105.07047	2.1
107.04945	1.1
108.05771	0.2
109.06499	0.8
115.05432	1.1
117.07025	0.9
119.04940	0.6
119.08578	0.4
119.58575	0.1
121.06480	0.6
121.10132	0.2
122.03644	9.0
123.04497	0.8
123.08048	0.4
128.06223	1.5
129.07002	0.8
131.04922	8.9
131.08562	1.0
133.06496	2.8
135.04398	1.0
135.08043	0.7
136.05170	0.4
137.05969	100.0
138.06293	1.2
141.07001	0.3
143.04892	0.4
143.08545	1.9
144.05655	0.3
145.06479	2.6
145.10168	0.2
146.07251	0.2
147.04454	0.3
147.08032	1.2
148.70445	0.2
149.05989	1.6
151.07536	7.3
151.68785	0.2
152.06134	0.2
153.06982	0.4
157.06482	0.6
158.07268	0.2
159.08040	1.0
160.05170	0.7
161.06003	1.0
161.09570	0.3
162.06808	0.4
163.07535	17.8
164.07898	0.3
165.07047	0.4
165.09105	1.9
167.07201	0.2
167.08577	0.2
171.08040	2.0
172.05206	0.3
173.05984	0.5
173.09586	0.2
174.06775	1.1
175.07549	3.4
177.09123	1.9
178.07639	0.2
179.08588	0.4
181.06511	0.5
182.07242	0.3
183.08078	0.3
187.07523	2.0
188.08278	0.8
189.09071	1.9
189.10538	0.2
190.07840	0.2
191.08707	0.2
191.10695	0.8
193.06419	0.3
194.07310	0.2
195.08060	0.6
197.06023	0.2
197.09531	0.1
198.06766	0.2
199.07561	0.3
201.09071	0.8
202.07814	0.2
203.08650	0.4
203.10648	5.2
205.06609	0.3
205.10176	0.2
205.12271	0.3
207.06436	0.2
207.08116	1.2
207.09926	0.3
208.08868	0.3
209.05991	0.4
209.09581	0.3
210.06824	0.2
211.07539	1.2
212.08278	0.2
213.09148	0.5
218.07086	0.2
219.08099	0.5
220.08789	0.3
221.05963	0.5
221.09604	0.5
221.11754	0.5
222.06790	0.3
223.07550	0.5
224.08118	0.3
225.09117	0.8
226.06281	0.4
227.07088	0.5
227.10686	0.3
228.07784	0.2
231.08070	0.2
233.09637	0.7
234.06743	0.3
234.10400	0.2
235.07535	2.0
235.11118	0.3
236.08261	0.4
237.09106	0.9
239.06920	1.1
239.10693	0.7
240.07811	0.2
241.08594	1.8
245.09612	0.4
247.07559	0.6
247.11195	0.4
248.08360	0.4
249.09164	1.3
250.09758	0.2
251.07074	0.4
251.10686	0.8
252.07848	0.4
253.08546	1.3
254.09421	0.2
255.10175	1.0
256.07193	0.2
257.08167	0.4
259.09631	0.3
260.08255	0.2
261.09125	1.7
262.09982	0.4
263.07028	0.3
263.10623	1.0
264.07681	0.3
265.08530	1.5
265.12357	0.3
266.09464	0.2
267.10208	2.3
269.11752	0.4
271.09619	4.2
273.08856	0.4
273.11279	1.9
274.09732	0.2
275.10645	0.6
277.08597	0.6
277.12161	0.3
278.09375	0.3
279.10123	0.9
281.08380	0.2
281.11807	0.5
283.09866	0.4
283.13345	0.3
284.10477	0.2
285.11261	0.6
287.13013	0.4
289.12228	0.2
291.09976	0.8
292.10797	0.4
293.11713	1.4
294.12503	0.2
295.09885	0.3
295.13168	1.2
297.11313	0.4
299.12805	2.4
301.12094	0.2
303.10007	0.2
305.11703	0.7
307.09857	0.2
307.13290	0.5
311.12830	0.4
313.14484	0.4
317.11786	0.3
319.13339	0.4
320.61035	0.2
321.11429	0.2
323.12857	0.7
325.14432	1.4
337.14359	0.4
339.15887	0.5
351.15729	0.2
365.11249	0.2
369.14981	0.3
397.14340	0.9
399.15866	0.5
401.17404	0.2
411.15887	0.2
413.17429	0.6
414.14572	0.3
425.17426	1.9
429.16934	3.6
431.18655	0.4
437.17636	0.2
441.17014	0.2
443.18661	0.7
447.17883	0.4
449.17569	0.3
455.18784	0.3
457.20047	2.9
459.18170	0.2
461.19562	5.7
463.20355	0.3
471.21777	0.3
473.19705	0.2
479.20560	1.9
480.21063	0.2
481.20163	0.5
487.21075	0.4
489.22754	0.7
501.22342	0.3
513.22833	0.9
515.24677	0.3
527.24274	0.5
531.23749	0.5
545.24927	0.4
587.24469	1.4
619.17609	0.3
619.26923	3.1
620.26953	0.2
633.28790	0.2
651.29340	1.1
669.30090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04274	0.4
65.03932	1.1
66.04707	0.8
67.05493	0.7
69.03407	1.8
69.07043	0.7
70.94659	0.7
70.94997	0.9
77.60913	0.4
79.05486	2.9
81.03400	1.1
81.07037	2.0
83.04943	0.6
85.02905	1.6
85.06541	0.7
91.05470	6.2
93.07029	1.7
93.60915	0.4
94.04175	3.1
95.04946	2.3
95.08593	1.0
97.02912	0.7
97.06518	0.5
103.05463	5.2
105.07014	2.0
107.04935	2.0
107.08595	0.8
109.02896	0.6
109.06500	1.7
109.10150	1.0
110.03716	0.4
115.05457	1.5
117.07007	2.0
119.04954	2.4
119.08554	1.0
120.05774	0.5
121.06520	4.5
121.10146	0.8
122.03639	8.8
122.07275	0.5
123.04399	1.7
123.08047	1.2
125.05968	1.7
127.03918	1.1
128.06195	1.6
129.06978	3.6
131.04915	8.7
131.08560	2.1
132.05707	0.5
133.06487	2.8
133.10162	0.7
135.04395	1.1
135.08035	3.0
136.05217	0.5
137.05966	100.0
138.03123	1.3
138.06351	1.0
139.03877	0.7
141.06970	1.3
143.04980	1.0
143.08549	1.7
144.05685	1.6
145.06456	3.2
145.10091	0.7
146.07213	0.6
147.04369	6.2
147.08041	3.2
149.05956	1.7
150.06744	1.3
151.03934	0.8
151.07523	11.8
153.05452	23.2
155.08595	0.5
157.06503	2.6
158.07249	1.3
159.04388	1.0
159.08038	3.9
159.11693	0.7
160.05208	1.1
160.08844	0.5
161.05965	2.1
161.09595	0.6
162.06743	0.6
163.07529	19.5
163.11258	0.8
164.08047	0.5
165.05493	1.3
165.09114	1.0
167.06984	3.7
169.06474	1.3
171.08035	2.6
172.08847	0.9
173.05994	1.8
173.09607	2.1
174.06781	3.3
175.07526	9.7
177.05406	1.3
177.09097	1.5
179.07022	13.8
185.09564	0.6
187.07556	3.2
188.08316	2.0
189.09084	7.4
191.07043	2.4
191.08705	0.6
191.10678	1.7
193.08577	1.4
193.10165	0.7
197.06036	0.7
201.09065	2.7
203.08775	0.8
203.10609	4.7
205.08612	2.1
207.06454	1.3
207.08200	0.6
207.09982	0.7
215.10683	0.4
217.08597	0.7
219.10121	4.0
221.09616	0.9
221.11589	0.9
223.09601	0.8
227.07016	0.7
231.08141	0.7
235.07637	0.7
241.08586	0.9
253.12357	0.5
261.09070	0.7
263.10797	1.5
265.12360	0.7
266.09308	0.5
271.09772	1.8
277.08704	0.6
279.09906	0.6
281.11630	1.2
283.13278	1.3
291.10287	0.6
293.11768	1.2
299.12683	2.9
309.11200	2.4
309.14810	1.6
310.15640	3.3
311.12772	4.0
311.16211	1.1
313.14404	1.3
323.12909	0.6
325.14270	2.6
326.14954	1.1
327.12332	2.9
337.14069	0.6
341.13846	11.9
359.14935	2.8
428.16470	0.6
429.17245	0.6
461.19574	1.4
479.20737	3.3
669.30542	2.8
687.30682	0.6
723.38458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53907	2.8
53.03930	12.6
55.01857	14.4
55.05260	4.2
55.05503	45.6
57.03424	37.8
61.02925	16.9
65.03929	5.1
65.98298	3.3
67.05166	6.3
67.05497	78.2
69.03417	34.4
69.07060	28.7
70.75488	8.6
71.04974	14.6
73.02905	12.4
79.05483	75.5
81.03413	76.9
81.07050	99.9
83.04970	27.3
83.08601	35.0
85.02897	41.0
85.06532	12.1
90.16615	2.9
91.03938	7.9
91.05470	83.6
91.79787	2.9
93.07027	70.7
95.04951	40.1
95.08597	54.7
96.84062	2.9
97.02883	29.7
97.06520	15.9
97.10152	14.0
99.04432	6.8
99.08074	13.4
101.02380	4.0
103.05463	3.5
105.07020	83.3
107.04964	17.4
107.08578	37.4
109.02863	14.8
109.06502	17.1
109.10152	21.0
111.04423	12.4
111.08064	13.3
113.05991	5.7
115.05424	5.9
117.06996	43.0
119.08575	62.7
121.06472	13.8
121.10139	28.6
123.08049	13.0
123.11691	10.7
125.09603	11.8
127.03918	8.2
128.06242	6.8
129.06995	33.6
131.04961	5.9
131.08548	62.4
133.06473	6.0
133.10127	47.2
135.08020	13.4
135.11674	11.8
137.09586	5.3
141.06935	10.6
142.07741	9.6
143.08556	32.6
145.06493	11.0
145.10112	46.8
147.08052	11.4
147.11661	41.1
149.09613	16.9
149.13210	5.8
151.11266	3.8
155.08540	22.5
157.06523	5.4
157.10114	36.8
159.08035	9.6
159.11650	35.7
161.09601	8.4
161.13239	11.6
163.11148	10.6
165.08963	3.5
165.12740	9.5
167.08519	8.6
169.10066	22.4
171.08006	5.4
171.11646	15.8
173.09589	6.3
173.13249	13.6
173.94124	3.2
175.11166	19.4
175.14760	3.5
177.12869	3.8
178.07890	3.0
181.10069	9.1
183.11670	14.0
185.09610	6.4
185.13222	21.1
187.11157	7.3
187.14842	5.8
189.11169	7.3
189.12747	6.7
191.10477	3.7
193.10489	5.4
193.12195	29.9
195.11670	10.8
197.09726	3.7
197.13261	14.8
199.11104	5.8
199.14777	5.6
201.12717	5.0
205.16023	4.3
209.13321	4.3
211.11276	7.8
211.13272	26.9
211.14949	3.5
213.12674	4.0
214.53610	3.1
219.17421	7.3
221.13306	5.5
223.14789	5.4
226.52519	3.6
227.12755	9.9
231.17535	4.1
239.17958	9.2
257.18985	31.9
259.20319	4.0
267.15872	25.3
275.20047	36.9
285.16757	19.0
293.21436	3.6
299.20059	4.9
331.22665	12.3
349.23853	20.0
355.22638	3.8
383.22189	4.8
429.21130	13.4
431.29224	12.2
449.30295	12.8
467.31332	11.3
469.29254	3.8
471.31006	10.0
473.36261	6.6
485.32742	7.0
501.32123	9.0
523.34015	16.8
541.35236	93.1
559.36249	100.0
595.35449	3.9
625.36230	4.2
667.38287	9.0
685.39038	13.4
703.40576	29.7
721.41425	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	721.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	1.3
57.03433	14.3
59.04999	0.6
61.02929	6.4
69.03426	31.4
70.58560	1.1
70.58941	1.2
71.01362	3.0
71.04985	1.0
73.02914	35.9
76.07597	0.5
81.03416	3.8
83.05017	0.8
85.02901	42.0
87.04470	2.1
91.03929	2.3
91.05458	0.7
95.04940	0.7
97.02885	100.0
99.04432	2.6
101.02393	1.3
103.03951	1.3
107.04964	0.7
109.02876	4.3
109.18712	0.5
111.04457	1.1
113.02322	1.0
113.81727	0.4
115.03925	45.0
123.04430	1.5
127.03905	14.5
131.04980	0.4
133.04956	10.0
135.04387	0.5
137.05954	1.6
138.37518	0.5
139.03935	2.3
145.04948	14.9
149.04454	0.8
149.05948	0.9
151.03841	0.9
152.12607	0.5
157.04953	2.0
163.06007	8.7
169.05000	0.9
181.04909	1.3
189.09039	0.6
193.04990	2.3
199.06087	1.2
205.26213	0.4
211.05998	19.9
217.07076	0.9
223.06039	4.3
229.07056	15.2
240.39873	0.5
241.07036	6.8
247.08192	2.7
259.08115	10.4
265.09152	11.2
271.08051	0.5
277.09064	1.4
289.09122	0.5
292.83884	0.5
295.10229	31.4
325.11340	5.4
373.11014	0.8
391.12491	1.4
422.85236	0.5
427.14337	0.9
461.17511	0.6
467.20117	0.7
481.16180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78193	0.6
55.01854	0.8
55.05513	4.4
57.03438	5.5
57.07074	14.1
61.02894	1.7
65.03903	0.6
67.05501	14.6
69.03407	0.8
69.07063	8.2
70.79717	1.8
71.04979	1.4
71.08633	9.8
79.05495	5.2
81.07052	34.4
83.04947	2.2
83.08598	5.6
85.02889	1.4
85.06512	2.0
85.10175	4.3
89.05988	0.8
91.03937	0.7
91.05474	8.0
93.07040	4.5
95.04915	0.8
95.08601	14.2
97.02857	1.1
97.06500	2.6
97.10147	1.0
99.08080	1.0
101.05946	0.7
105.06386	1.0
105.07024	13.1
107.08584	3.7
108.81069	0.5
109.06493	2.0
109.10124	2.8
111.08079	1.0
117.07005	0.9
119.08582	9.8
121.10133	6.5
123.08074	1.3
123.11715	11.2
137.13251	1.2
147.11681	19.6
152.68536	0.7
157.10042	0.8
165.12764	9.0
166.63029	0.6
183.13733	1.2
212.21976	0.7
229.14272	2.4
239.23701	1.6
257.24771	1.2
267.15909	68.8
285.16946	92.5
286.17392	1.2
313.27359	84.8
331.28427	1.8
523.39929	100.0
524.40350	2.9
602.76398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
53.13255	1.4
54.78545	1.3
55.01865	3.9
55.05516	1.2
58.26690	1.2
65.03920	1.5
67.05511	3.8
68.99797	6.6
69.03427	4.4
69.07032	1.2
69.96983	7.8
71.01349	3.3
79.05484	2.7
81.03414	3.6
81.07040	3.2
81.19352	1.5
83.01330	2.1
83.04977	2.6
83.70557	1.5
85.02873	1.9
91.05473	6.7
93.07037	4.2
95.04955	2.6
95.08569	1.7
97.02875	4.3
103.05466	9.7
105.03381	1.6
105.07044	5.8
107.04985	1.8
107.08556	2.6
109.02902	2.6
109.10152	3.3
115.05457	4.4
117.07027	6.4
119.04881	1.4
119.08563	2.8
121.02859	1.3
121.06461	2.2
121.10175	1.4
123.04412	13.7
125.02339	17.3
127.03918	1.9
128.06247	3.8
129.06955	2.9
131.04951	12.3
131.08565	2.0
133.02789	1.4
133.06499	3.1
133.10139	2.3
135.04376	1.7
137.05966	3.4
139.03870	5.2
141.06985	4.8
143.08572	1.3
144.05673	1.4
145.06497	13.3
145.10129	2.0
147.04390	5.1
147.11690	1.6
149.05991	10.0
151.03888	18.8
152.06215	3.3
153.05466	6.2
153.06979	6.0
155.04930	1.4
155.08530	4.5
156.43257	1.4
157.06522	2.4
159.08092	1.9
160.05328	1.6
161.05980	14.6
162.06819	2.0
163.03857	6.9
163.07541	23.0
165.05476	3.1
165.06949	3.2
165.09038	2.2
167.08574	5.3
168.05692	1.5
169.06551	4.6
171.08029	5.7
173.05989	4.4
174.06696	1.5
175.03934	12.5
175.07552	5.0
176.04599	1.6
177.05482	21.8
177.06967	1.4
177.34113	1.6
179.07045	3.4
179.08528	2.4
181.06458	9.1
183.04509	1.6
183.08015	7.7
184.05301	1.5
185.05972	4.7
185.09534	1.7
187.03889	2.8
187.07515	8.2
189.05424	6.5
189.09084	3.6
191.07098	1.6
195.08000	11.5
197.05986	4.2
198.06773	2.5
199.07503	12.6
200.04706	2.3
201.05432	2.5
201.09021	3.5
203.07045	3.3
205.06532	3.4
207.08202	1.6
209.06036	2.1
211.07491	2.9
211.99684	1.4
213.05464	2.3
213.09058	8.1
215.06993	4.8
215.13947	1.3
217.04999	2.4
217.08516	7.1
221.06108	1.5
221.09586	2.6
223.07500	7.7
225.05478	1.9
225.09186	2.0
226.06306	2.2
227.06938	6.8
229.04909	6.8
229.08611	3.8
231.06435	2.8
235.07515	3.2
237.09137	1.9
239.06866	2.1
241.04970	1.9
241.08591	11.4
243.06367	2.0
244.07114	1.6
245.04520	4.4
247.05936	3.1
249.09102	2.6
250.06294	4.2
251.07083	7.6
253.04980	3.2
253.08591	3.3
254.05754	1.8
257.04465	2.4
259.05936	2.5
259.09741	3.5
263.07129	1.9
265.08575	2.7
266.05450	2.3
267.10040	2.7
268.08841	1.8
269.04965	2.4
269.08011	24.7
271.05615	2.3
276.08160	1.7
277.08417	2.3
285.07666	4.6
287.09174	100.0
288.09708	2.7
289.04901	2.1
291.06564	2.1
293.08121	1.9
295.06503	2.4
295.09628	8.3
299.06686	1.8
300.08044	1.6
301.10593	4.8
302.05820	2.0
303.06540	4.0
304.07233	2.5
311.09149	35.1
312.09818	2.1
313.05112	2.7
313.10776	18.5
314.09290	2.1
315.06442	4.9
315.12314	2.8
316.07324	2.8
317.08099	3.8
319.06232	2.9
323.06827	2.3
324.07693	2.6
325.08508	2.8
327.06604	3.5
328.07404	2.9
329.07968	8.1
329.11398	1.9
330.08856	1.8
331.05939	3.5
332.06766	2.6
333.07675	3.1
334.04709	1.9
334.08334	2.9
335.05527	3.6
337.10852	5.1
339.10034	3.1
341.08078	3.6
342.08746	6.3
343.05911	4.1
343.09702	2.7
345.07559	5.4
347.05338	8.5
351.08737	3.6
353.08020	2.4
355.05899	2.9
355.09717	2.9
356.06659	2.7
357.07483	6.9
357.11365	3.5
358.04617	2.2
359.05429	5.5
359.09293	1.8
359.13132	2.3
360.06046	3.5
360.10156	2.2
361.07004	12.4
362.07758	3.9
363.08563	4.9
365.11752	3.2
367.09543	1.8
367.21497	1.5
368.10507	1.5
369.07266	3.1
370.08249	6.1
371.05350	4.4
371.09167	5.8
373.06921	7.1
373.10962	2.7
374.08075	2.4
375.08560	17.1
375.12573	3.7
376.09290	6.0
377.10294	2.1
383.08682	2.9
383.12875	3.7
385.10788	6.6
387.08206	8.2
387.12854	2.4
388.09418	14.6
389.09982	6.3
391.11716	21.8
392.12201	2.5
399.12381	6.1
401.14136	1.9
403.11737	31.0
404.11954	2.0
411.12201	14.6
415.11761	2.5
417.13321	48.6
429.09097	1.4
429.13428	18.0
435.14053	3.7
466.74628	1.5
549.15662	2.9
567.16095	7.0
633.13226	2.9
644.16760	1.9
662.17426	5.7
667.19305	1.8
685.20251	8.0
703.20789	6.7
721.22406	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	719.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
55.02057	0.5
59.60063	0.4
63.32581	0.4
65.03889	0.7
67.05461	0.8
68.99777	2.3
69.03421	9.0
71.00391	0.4
71.21151	0.8
77.32231	0.4
79.05461	1.2
81.03388	0.5
81.06991	0.6
83.01304	0.4
83.08585	0.5
85.02874	0.8
91.05466	3.0
93.03372	0.5
93.07006	0.6
95.04914	1.3
95.08576	0.5
103.05428	1.4
105.03359	0.6
105.07029	3.6
107.04841	0.5
109.02818	0.7
109.10115	0.6
115.05424	2.4
116.06220	0.5
117.06974	1.3
119.04907	1.2
119.08556	0.5
121.06474	0.6
123.04423	2.8
125.02303	1.8
128.06154	1.5
129.06943	1.6
131.04930	2.2
131.08478	1.2
132.05638	0.6
133.06447	1.3
135.04356	0.6
137.02223	0.5
138.95653	0.5
139.03873	0.5
141.01779	0.6
141.06955	2.8
142.07777	0.5
143.04893	1.0
143.08530	0.9
144.05702	0.7
145.06435	1.6
145.10117	0.6
147.04352	2.2
147.07999	0.5
149.05949	0.7
151.03841	1.4
152.06133	0.6
153.06923	1.9
155.04883	0.8
155.08493	2.3
157.06444	1.5
158.07231	0.8
159.04385	1.3
159.07967	1.4
160.05165	3.5
161.05954	5.5
163.03816	1.5
165.06972	2.4
166.07642	0.5
167.08572	0.5
168.05669	0.5
169.06436	2.6
171.04427	2.4
171.08014	1.0
173.05954	3.1
174.06612	0.5
175.03902	5.7
175.07489	1.9
176.04608	1.6
177.05455	5.2
177.06895	0.9
179.08452	0.5
181.06390	1.6
183.04399	1.0
183.08011	3.4
184.05060	0.6
185.05966	3.9
185.09695	0.5
186.06688	1.7
187.03894	4.4
187.07518	4.7
188.04669	26.9
189.05457	15.8
189.07097	0.5
189.09088	0.5
191.03391	0.6
194.07291	0.5
195.07970	1.1
197.05977	3.3
198.06650	0.7
199.03891	4.7
199.07530	1.9
200.04578	2.0
201.05473	4.2
201.09084	1.3
202.06152	0.7
202.07814	0.8
203.03316	1.7
203.06934	1.5
204.04112	0.9
205.06555	0.6
209.05864	0.9
211.03897	0.7
211.07544	5.3
212.04688	0.5
213.05438	11.4
213.09081	1.2
214.06229	10.2
215.01413	0.9
215.03386	10.6
215.06889	6.5
215.08774	0.7
216.04160	8.2
217.04933	9.6
217.08435	1.4
221.06004	2.3
222.06659	0.8
223.07527	1.1
224.04729	0.5
225.05446	3.9
225.08951	0.5
226.06120	0.6
227.03410	4.4
227.06906	2.1
228.04185	1.1
229.05038	4.2
229.08562	12.8
230.05522	1.0
231.02866	1.2
231.06332	0.9
231.08282	0.5
232.03624	4.0
235.07504	0.9
237.05351	0.8
237.09105	0.8
239.03331	1.7
239.06952	8.7
240.04066	0.9
240.07709	0.9
241.04945	13.0
241.08502	3.0
242.05704	6.5
243.02931	6.2
243.06337	4.6
243.10124	0.6
244.03651	35.8
245.04379	12.2
245.09552	1.4
246.04971	0.8
246.10352	0.5
247.05682	0.9
247.07845	0.7
249.05458	1.1
250.06215	2.1
251.06999	1.5
253.04881	2.1
253.08444	1.1
254.05717	0.6
255.06288	0.9
255.10043	2.2
256.03683	1.2
257.04309	2.8
257.08035	15.7
258.04935	2.5
259.09818	0.7
263.07043	1.4
263.10599	0.9
264.07886	0.5
265.08606	1.0
266.05707	1.1
267.06384	4.4
268.03610	0.8
269.04437	29.1
269.07928	1.9
270.05170	19.8
271.05771	1.5
272.06613	0.6
273.07474	0.6
275.07077	1.4
275.10654	0.7
276.07782	0.6
277.05121	0.9
277.08334	0.9
278.05707	1.3
279.06461	1.3
281.08029	0.9
282.05261	1.0
283.09723	1.4
284.08157	0.9
285.07544	100.0
286.08167	2.2
287.06772	1.0
287.09485	0.6
288.06363	1.3
289.04901	2.5
289.08585	1.3
291.06528	0.8
291.10107	1.6
293.08118	1.6
294.05203	1.3
295.05783	3.2
296.06876	1.5
297.07483	1.3
298.09918	0.7
299.06702	0.9
299.09772	0.6
300.07748	1.0
301.08524	1.4
302.05762	1.3
303.06522	2.2
303.10043	0.7
304.07208	1.4
307.06140	1.2
308.06976	0.6
309.07373	2.8
310.08249	2.9
311.09222	11.4
312.07697	1.0
313.08621	1.0
314.09293	0.6
315.06418	1.9
315.09875	0.7
316.07306	1.3
317.04443	1.3
317.08066	2.5
317.11429	0.7
318.05142	1.0
319.06049	1.0
319.09616	1.2
321.07559	1.0
322.04822	0.8
323.09418	1.5
324.07660	0.9
325.08426	0.9
326.05658	0.6
327.06488	2.0
327.10150	1.6
328.07431	0.9
329.07797	2.3
330.08990	0.6
331.05859	1.1
331.09634	1.0
332.06744	1.9
333.07684	1.4
334.04684	0.8
334.08450	1.2
335.05502	2.9
335.09088	0.9
337.10858	5.5
338.11447	1.4
339.06503	0.9
339.10095	0.9
341.04489	0.6
341.08020	2.4
341.11603	0.9
342.05121	0.6
342.08899	1.3
343.05951	1.6
343.09689	1.7
344.06799	0.8
345.07556	2.6
345.11230	1.0
346.08307	0.8
347.05444	2.1
347.09341	1.1
348.06198	0.7
349.07278	1.1
350.07816	3.1
351.08786	1.5
352.06824	0.6
353.08087	1.6
355.05975	1.3
355.09698	1.6
356.06540	0.9
357.07523	2.9
357.11243	1.0
358.08246	0.7
359.05402	2.0
359.09195	1.7
360.06158	1.0
360.10184	0.7
361.06656	2.2
361.10907	0.9
362.07861	1.0
363.04816	2.1
363.08707	3.8
367.09598	1.0
369.07513	1.6
369.11227	1.3
370.08301	1.1
371.05450	1.5
371.09625	2.2
372.06284	0.6
373.07028	1.7
373.11060	2.4
374.07822	1.2
375.08575	5.9
375.12610	0.9
376.09442	1.5
377.10141	0.7
381.11292	0.6
383.13028	0.7
385.10770	2.3
386.11807	0.5
387.08401	3.7
387.12314	0.7
388.09302	2.9
389.10153	2.0
390.10886	2.2
391.11761	11.1
392.08804	0.7
395.09274	0.8
397.10858	0.8
399.12189	1.3
401.10077	1.9
402.10657	0.6
403.11719	11.3
404.12476	2.9
405.13223	0.8
407.14957	1.4
411.12222	2.8
415.11713	3.0
417.13297	10.5
417.18500	0.7
429.13419	2.2
433.12717	8.3
435.14200	1.5
453.13104	0.8
486.10895	0.5
507.13879	0.6
525.15857	0.7
614.15454	0.8
619.12573	1.6
627.20294	0.8
632.16608	0.9
637.18732	0.5
642.14856	2.6
655.19617	1.3
660.16296	5.2
665.17432	0.9
673.20239	3.5
678.16608	2.6
683.19006	5.6
701.20081	12.8
710.77515	0.5
719.21143	64.3
720.21698	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74394	0.6
55.01833	2.1
55.02080	0.7
68.99787	1.3
69.03428	8.7
69.07026	0.6
70.52257	2.2
71.49013	0.6
81.03381	0.8
91.05442	2.5
103.05407	2.5
105.06985	2.1
107.04931	0.9
109.02790	0.8
115.05424	1.5
117.06898	0.8
119.04904	1.7
123.04385	1.7
125.02353	1.5
129.06975	1.1
131.04849	2.4
131.08528	1.5
133.06447	1.8
135.04369	0.7
141.06969	2.6
143.08524	0.9
144.10905	0.7
145.06403	2.2
147.04382	2.1
149.05911	1.3
151.03911	0.9
153.06950	1.5
154.07677	0.6
155.08501	2.7
157.06453	1.7
159.04349	1.4
159.07990	1.9
160.05157	2.5
161.06000	3.9
163.03891	2.0
165.06929	2.3
168.05699	0.8
169.06442	2.3
171.04329	1.1
171.08003	1.2
173.05927	2.3
175.03853	4.4
175.07494	1.3
176.04657	1.4
177.05466	6.1
181.06422	1.0
183.04356	0.8
183.08067	3.5
185.05946	3.8
186.06749	1.4
187.03926	3.5
187.05354	0.6
187.07521	4.7
188.03027	1.4
188.04678	25.8
189.05461	14.0
195.08101	0.8
197.05980	3.2
198.06691	0.7
199.03909	5.0
199.07460	1.6
200.04663	1.6
201.05489	4.3
201.09087	0.7
203.03392	1.6
203.07050	1.0
209.09648	0.6
211.07542	5.3
212.04738	0.9
213.05467	8.0
213.09056	1.6
214.06212	8.0
215.01457	0.9
215.03423	10.9
215.06961	8.0
216.04184	8.2
217.04947	7.7
217.08311	1.0
221.05997	2.2
222.06757	1.0
223.07643	0.8
225.05466	3.7
227.03336	2.6
227.06871	1.4
228.04117	0.9
229.05101	4.0
229.08539	11.2
230.05672	1.0
231.06400	0.9
232.03587	3.8
235.07385	0.8
239.03409	0.9
239.06961	9.0
241.04944	10.8
241.08591	2.5
242.05646	5.4
243.02930	5.7
243.06354	4.8
243.10162	0.8
244.03656	38.0
245.04372	9.3
245.09651	1.1
246.04935	0.9
249.05351	1.3
250.06303	0.9
251.03502	0.7
251.06999	1.4
253.04941	1.8
253.08350	0.8
255.10248	1.5
256.03683	1.3
257.04492	2.3
257.08075	14.2
258.05203	1.8
263.07172	1.5
263.10620	1.0
265.05063	0.6
265.08527	1.6
266.05713	1.2
267.06439	5.4
268.03580	1.4
269.04456	23.9
269.07678	1.6
270.05194	15.6
271.05634	1.1
272.06616	1.2
273.09222	1.3
276.07687	1.1
277.04889	0.8
277.08615	1.0
278.05676	0.9
279.06464	0.7
281.08130	1.4
282.05164	1.3
283.05927	0.9
283.09491	0.9
285.07556	100.0
286.08182	3.9
287.07013	1.7
288.06360	0.9
289.05026	1.4
289.08450	1.0
291.06470	1.1
291.10239	2.3
293.07974	1.2
294.05173	1.3
295.05945	3.2
296.06769	1.7
297.07623	0.8
299.06784	1.1
300.08035	0.7
301.08371	1.0
303.06528	1.5
304.07156	0.8
305.07956	0.7
307.06122	1.4
309.07614	3.0
310.08389	3.3
311.09164	10.4
313.05063	0.7
313.08585	2.0
315.06586	1.5
316.07275	1.7
317.04465	1.7
317.08011	1.5
319.05917	1.4
319.09604	1.9
321.07510	0.8
321.11240	0.8
322.04724	1.8
323.05560	1.1
323.09268	2.3
324.07785	1.2
326.05859	0.8
327.06439	2.0
327.09927	1.4
328.07199	1.0
329.08105	1.6
331.05927	1.4
332.06613	1.6
333.07455	1.3
334.04559	0.9
335.05463	2.6
335.09192	1.2
337.10809	6.3
338.11481	1.4
339.06494	1.2
339.10138	1.0
341.08008	1.5
341.11664	0.8
342.08829	1.6
343.06149	1.6
343.09616	1.4
344.06625	0.9
345.07407	2.1
345.11249	1.6
347.05371	1.3
347.09167	1.2
349.07162	0.7
350.07864	2.5
351.08746	1.8
353.08041	0.9
355.05881	1.4
355.09723	1.1
356.06866	1.1
357.07507	3.1
357.11292	1.6
359.05453	1.8
359.09244	1.3
360.06116	0.9
361.07019	2.6
363.08594	5.4
365.10123	0.8
367.09451	1.2
369.07425	1.5
369.11578	0.9
370.08441	1.7
371.05362	1.7
371.09265	1.8
372.06049	0.9
373.07028	1.9
373.10782	2.2
374.07785	1.3
375.08496	4.8
376.09326	1.1
377.09406	0.6
383.08936	1.3
383.13120	1.1
384.10104	0.8
385.10974	1.0
387.08167	3.6
388.09406	2.3
389.10092	2.3
390.11017	2.1
391.11673	9.0
393.11322	0.8
397.10846	0.9
399.12436	1.7
401.10175	1.7
403.11755	9.2
404.12442	2.3
405.13287	0.9
407.14789	3.1
411.12454	1.4
415.11853	2.5
417.13290	8.5
429.13379	1.6
433.12701	1.7
525.15442	0.9
601.10809	1.2
619.12549	2.4
624.13751	1.1
627.20135	0.8
637.18530	1.4
642.14819	3.0
655.19733	1.8
660.16351	4.8
673.20581	5.6
678.16998	1.8
683.19196	8.0
701.20148	23.7
702.20416	2.2
719.21173	35.0
720.21472	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
55.01868	1.7
65.03909	0.4
67.05470	0.4
68.99758	1.6
69.03425	7.9
69.34931	0.3
70.40788	0.7
70.41189	0.4
77.03895	0.3
79.01841	0.3
79.05453	0.9
81.03376	0.2
81.07041	0.6
83.01327	0.4
85.02868	0.3
91.05466	2.3
93.03358	0.5
93.07004	0.5
95.04926	1.0
95.08638	0.3
97.02866	0.4
99.04447	0.3
103.05428	1.0
105.03333	0.8
105.07024	2.8
107.04958	0.4
113.02351	0.3
113.26508	0.3
115.05444	2.2
116.06201	0.4
117.06973	1.3
119.04893	1.3
119.08568	0.6
121.02860	0.4
121.06493	0.3
121.10117	0.3
123.04425	1.3
125.02317	1.4
127.03926	0.3
128.06203	0.9
129.07005	2.3
131.04938	2.0
131.08571	1.4
132.05650	0.8
133.06462	1.2
133.10060	0.4
135.04364	0.6
139.03833	0.5
139.05396	0.5
141.01755	0.4
141.06970	1.7
142.07770	0.3
143.04915	1.0
143.08516	0.7
144.05690	0.6
145.06487	2.3
145.10080	0.9
146.03592	0.3
147.04425	1.8
147.08002	0.6
147.11667	0.4
148.05232	0.3
149.05936	0.6
151.03874	0.8
153.06987	2.0
154.07683	0.4
155.04880	1.1
155.08548	2.1
157.06493	2.1
157.10127	0.4
158.07178	0.7
159.04407	1.4
159.08047	1.4
160.05202	2.6
161.05969	5.6
162.06688	0.4
163.03903	1.4
163.07468	0.5
163.14726	0.3
165.05627	0.3
165.06989	1.8
166.07655	0.4
167.08507	0.8
168.05658	0.9
169.02214	0.3
169.06459	2.2
171.04446	1.8
171.07997	1.2
172.05083	0.4
173.02303	0.5
173.06001	2.8
175.03912	3.9
175.07535	1.5
176.04614	1.2
177.05467	4.8
177.06989	0.2
181.06461	1.1
182.07193	0.4
183.04367	1.0
183.08017	2.4
184.05156	0.4
185.05974	3.0
186.06737	1.4
187.03882	4.5
187.07532	2.7
188.04678	26.2
189.01816	0.6
189.05450	13.0
189.16338	0.9
190.02524	0.3
190.06123	0.4
191.03331	0.8
191.06978	0.4
191.08580	0.4
193.04913	0.6
193.06464	0.6
194.56139	0.3
195.08073	0.8
197.06000	2.9
198.06714	0.6
199.03926	3.5
199.07600	1.6
200.04659	1.6
201.05455	3.3
201.09160	0.8
202.06116	0.7
202.07895	0.5
203.03372	1.5
203.06999	1.1
204.04120	0.7
205.04843	0.3
205.06615	0.4
207.02777	0.3
207.06392	0.4
207.08093	0.5
209.09543	0.4
211.03915	0.5
211.07547	4.6
212.04587	0.6
213.05457	6.8
213.08859	1.4
213.12810	0.3
214.06241	6.3
215.03406	9.0
215.06929	6.6
215.08533	0.3
216.04170	8.5
217.01546	0.4
217.04953	8.1
217.08376	0.6
217.10283	0.5
219.08093	0.6
220.08946	0.4
221.05980	1.7
221.09572	0.5
222.06680	0.8
223.03999	0.4
223.07579	0.9
224.04770	0.5
225.05469	3.3
226.06062	0.5
227.03429	2.8
227.06970	1.2
227.10594	0.7
228.04094	0.9
228.07343	0.4
229.05063	3.4
229.08557	11.6
231.02847	0.9
231.06262	0.6
231.08199	0.6
232.03636	2.8
233.09583	0.5
234.06638	0.4
235.07576	1.0
235.11119	0.5
237.05382	0.9
237.09131	0.5
238.06276	0.9
239.03352	0.7
239.06992	7.8
239.09212	0.6
240.04143	0.3
241.04930	8.5
241.08476	1.4
242.05704	5.1
243.02872	5.4
243.06337	3.4
244.03656	33.4
245.04391	8.3
245.09570	1.2
245.15407	0.5
246.05014	0.6
247.07742	0.7
248.08313	0.5
249.05484	1.3
249.14764	0.4
250.06145	1.6
251.06970	1.2
253.04935	1.9
253.08577	0.5
254.05647	0.3
254.09393	0.4
255.06149	0.5
255.08359	0.2
255.10208	1.5
256.03568	0.9
257.04352	1.9
257.08035	11.5
258.04944	1.3
258.08722	0.5
259.07703	0.4
260.08383	0.4
261.05392	0.5
261.09198	0.6
262.06125	0.6
263.07025	1.3
263.10690	0.7
265.05011	0.7
265.08594	1.0
266.05716	1.6
267.06418	4.7
268.03687	0.9
268.06714	0.3
269.04440	17.3
269.07904	0.9
270.05191	12.9
271.05469	0.7
271.07663	0.8
272.03162	0.4
272.06378	0.3
273.05185	0.5
273.08868	1.0
275.07031	1.2
275.10590	0.6
276.07745	0.9
277.04962	0.7
277.08560	1.1
278.05630	1.1
279.06342	1.6
281.04904	0.4
281.07910	0.5
282.05182	0.8
282.09045	0.3
283.06052	0.5
283.09808	0.8
284.08350	0.8
285.07550	100.0
286.08167	2.6
287.06909	1.5
287.09930	0.3
288.06381	0.8
289.04904	1.4
289.08554	1.1
290.05798	0.6
290.09067	0.6
291.06531	1.2
291.10138	1.7
293.04480	0.8
293.08139	1.1
294.05203	1.8
295.05856	3.3
296.06522	1.5
297.07486	0.8
298.09195	0.3
299.06735	0.4
299.10016	0.4
300.07742	0.6
301.05453	0.4
301.08362	1.3
302.05725	0.6
302.09137	0.5
303.06500	1.5
303.09760	0.5
304.07245	1.0
305.04810	0.4
305.08102	1.0
306.05249	0.4
307.05936	1.0
307.09583	0.9
308.06610	0.5
309.07651	2.4
309.11157	0.5
310.08368	1.5
311.09189	6.6
312.07767	0.6
313.08206	0.6
314.05905	0.4
314.09299	0.6
315.06454	1.2
315.09967	0.6
316.07407	0.9
317.04364	1.2
317.08102	2.5
317.11414	0.4
318.05133	0.4
318.08856	0.6
319.06015	1.1
319.09851	1.4
321.03949	0.7
321.07822	0.8
321.11307	0.7
322.04788	1.6
322.08276	0.5
323.05603	0.7
323.09229	2.9
324.07642	0.5
325.08569	0.9
326.05573	0.5
326.09427	0.4
327.06479	2.2
327.10187	1.1
328.07144	0.8
328.10858	0.5
329.07938	1.4
329.11670	0.4
330.05164	0.5
330.08844	0.7
331.05966	1.4
331.09613	0.6
332.06808	1.3
333.04184	0.3
333.07486	1.7
333.11145	0.4
334.04663	0.8
334.08313	0.4
335.05447	1.8
335.09232	1.5
336.09985	0.3
337.10840	7.1
338.11646	2.4
339.06458	0.6
339.10150	0.8
340.07291	0.6
341.04532	0.4
341.08078	1.8
341.11554	0.5
342.05066	0.6
342.08841	0.7
343.06000	0.9
343.09619	1.1
344.06842	0.6
345.07523	1.8
345.11322	1.1
346.08401	0.7
347.05441	1.9
347.09283	1.2
348.06110	0.6
348.09839	0.7
350.07971	1.4
351.08731	1.0
352.07303	0.5
353.08185	0.9
354.08774	0.5
355.05927	1.5
355.09683	1.0
356.06726	1.0
356.10712	0.5
357.07455	1.8
357.11310	1.2
358.08325	0.4
359.05319	1.2
359.09058	1.5
360.06229	0.8
361.06812	1.3
362.07855	0.5
363.08563	6.0
365.10306	1.0
366.11069	0.6
367.09760	0.7
368.06558	0.5
369.07339	1.4
369.11520	0.7
370.08487	1.1
371.05499	1.3
371.09140	1.5
372.06158	0.7
373.06573	1.5
373.11014	2.1
374.07822	1.0
375.08615	4.1
375.12732	0.4
376.09335	0.9
377.09979	0.4
383.09015	0.8
383.12952	0.9
384.10263	0.4
385.06616	0.5
385.10822	0.8
386.07498	0.4
387.08377	2.3
387.12912	0.6
388.09186	2.1
389.10138	1.0
389.14429	0.4
390.10986	1.3
391.11768	6.5
392.11737	0.4
395.09210	0.6
397.10873	0.5
399.12274	1.1
401.10208	1.2
403.11804	6.2
404.12393	1.4
407.09558	0.5
407.14749	2.9
411.12314	1.2
415.11606	1.5
417.07678	0.4
417.13303	7.2
429.13498	1.2
433.12509	1.1
435.14517	2.9
453.13245	1.2
489.13406	0.4
507.14319	0.4
525.15546	0.6
527.11157	0.3
531.13446	0.3
539.11597	0.3
545.12231	0.3
555.09955	0.4
569.13934	0.3
573.11505	0.9
575.12891	0.4
583.10370	0.3
586.16919	0.4
596.14111	0.4
601.10266	1.3
609.18829	0.6
613.10229	0.4
613.18933	0.4
614.15930	1.0
616.16730	0.5
618.11548	0.5
619.12054	1.8
624.13641	0.6
627.19818	0.8
631.12836	0.8
632.16754	1.0
637.18347	1.0
642.15143	3.6
645.17773	1.0
655.19574	2.7
659.16101	0.5
660.16187	3.9
665.17896	1.7
673.20624	4.6
678.17310	1.0
683.19135	9.5
684.19489	0.4
701.20123	22.3
702.20538	1.3
719.21100	19.0
720.20966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
67.67392	0.4
69.03430	0.7
71.61083	0.7
79.05480	0.9
81.03431	0.6
83.01086	0.8
85.02914	0.6
93.07043	1.3
95.08576	0.9
107.08575	1.1
109.06527	0.5
119.08537	0.8
121.10158	0.8
123.04315	0.6
133.10133	0.8
137.06038	0.6
143.10493	0.5
145.10234	0.6
145.29219	0.5
185.04205	1.9
201.03693	1.9
203.05344	2.5
214.56277	0.5
257.06256	1.0
259.07925	2.5
298.98453	0.5
316.58722	0.5
317.19739	0.9
318.26483	0.6
319.09937	1.0
329.08533	0.7
330.99313	0.6
331.10013	2.1
335.20746	1.0
345.11694	0.9
347.09448	4.6
363.08954	2.4
365.10626	4.2
401.17926	0.5
415.19421	0.8
421.13153	2.7
437.12698	0.7
449.32904	0.6
463.37244	0.5
483.22125	2.4
493.15308	3.6
507.16980	1.1
521.18854	0.7
535.20148	1.3
535.27551	0.6
549.20673	0.7
553.29767	13.2
554.29700	0.6
563.23236	1.1
577.24902	1.5
603.25684	0.6
645.27234	1.6
715.35052	100.0
716.35309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5506
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03919	1.1
55.01852	0.4
55.05270	0.4
55.05511	5.9
55.06260	0.3
56.05041	4.6
57.07071	3.2
58.06577	1.2
60.04521	2.5
64.77402	0.4
64.85428	0.3
65.03922	0.6
67.04232	0.4
67.05497	12.3
68.05008	0.9
69.03407	1.5
69.07066	6.6
70.06580	1.5
71.08622	1.7
74.13905	0.3
79.05057	0.6
79.05486	8.8
80.05022	3.1
81.03419	0.5
81.05780	1.2
81.07053	10.5
82.06117	0.6
82.06570	8.0
83.08202	0.5
83.08616	5.1
84.08116	0.4
85.02904	1.8
85.10179	0.6
86.28974	0.3
91.04956	0.6
91.05476	7.5
93.05783	0.6
93.06461	0.6
93.07037	9.3
94.06561	16.6
95.04926	1.3
95.05537	0.4
95.07350	7.0
95.07954	0.8
95.08598	8.1
96.08121	5.2
97.02877	1.2
97.10182	2.3
98.06047	0.3
105.07018	5.7
106.06524	0.4
107.08600	4.7
108.08099	2.5
109.10146	3.0
111.11710	1.0
119.07792	0.5
119.08569	5.4
121.08860	0.4
121.10141	5.2
122.09653	2.5
122.10429	0.4
123.11693	1.4
124.11188	0.5
127.03876	0.4
128.82227	0.3
133.10124	3.2
135.10406	0.7
135.11670	3.5
136.11183	0.7
137.13300	0.4
147.11676	1.4
149.13242	0.8
151.14859	0.5
161.13216	1.2
163.14815	0.5
191.17862	0.3
193.19478	0.4
219.20998	0.7
229.28481	0.6
233.22583	3.3
234.22195	1.0
245.22624	3.8
250.25320	7.8
254.24753	0.8
260.23828	0.4
262.25278	100.0
263.25674	1.4
264.26630	0.4
272.25851	4.0
280.26382	6.4
296.25446	0.4
312.25266	0.6
314.27020	0.5
356.21222	0.3
440.65417	0.5
442.31595	0.8
504.47705	5.9
516.47736	30.1
517.47870	1.0
518.49286	4.9
534.48767	18.1
535.49005	0.6
696.53937	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	714.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54522	0.4
53.03929	1.2
55.05507	7.1
56.05042	4.3
57.07076	3.1
58.06592	0.7
58.84178	0.5
60.04512	2.9
65.03923	0.6
67.05166	0.8
67.05499	10.1
68.05022	0.5
69.03421	1.0
69.06733	0.5
69.07065	7.8
70.06579	2.4
70.87827	1.8
71.08611	1.7
79.05477	8.2
80.05013	2.9
81.03389	0.9
81.05785	1.9
81.07043	9.3
82.06190	0.5
82.06583	6.8
83.08611	5.9
85.02883	2.1
85.10183	0.6
91.05472	7.6
93.07030	8.9
94.06557	18.3
95.04959	1.9
95.07333	7.6
95.08596	8.6
96.08118	6.0
97.02866	0.8
97.06503	0.7
97.10166	2.9
97.10686	0.5
105.07031	5.3
107.08595	3.9
108.08107	3.3
109.10146	2.9
111.11676	0.6
119.08566	6.4
121.10126	5.6
122.09624	2.1
123.11692	1.5
124.11232	0.6
133.09149	0.6
133.10088	3.9
135.10477	1.2
135.11655	2.7
136.11183	0.7
137.13213	0.7
145.04901	0.6
147.11723	0.9
149.13243	0.9
161.13142	0.6
163.14842	0.7
191.17928	0.6
193.19463	0.6
219.21083	0.7
233.22569	2.8
245.22601	5.3
250.25270	7.2
254.24690	1.5
262.25269	100.0
263.23376	1.0
263.25809	1.1
264.26749	0.7
272.25867	6.2
280.26291	7.1
282.24274	0.5
282.27786	0.6
304.26306	1.2
312.25443	0.7
442.31912	0.6
468.45688	0.5
504.47720	7.3
516.47693	39.4
517.48199	0.6
518.49280	6.9
534.48761	25.4
535.49158	0.7
633.21594	0.5
696.53851	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	711.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38110	0.2
54.65609	0.1
57.03424	0.3
60.05115	0.2
62.61637	0.1
67.01824	0.2
68.99827	0.2
69.03412	0.4
71.04978	0.7
71.59473	0.2
71.59851	0.2
73.02890	0.5
75.04436	0.2
76.99151	0.1
82.61131	0.1
83.04964	0.3
84.08150	0.2
85.02900	1.6
91.05442	0.2
93.07002	0.2
93.83616	0.1
97.02873	0.5
111.04449	0.2
115.03963	0.2
119.04942	1.1
120.01327	0.2
120.08045	0.3
121.02868	0.4
123.97594	0.2
129.05438	0.4
136.07544	0.4
137.05945	0.3
140.07065	0.2
145.02818	0.5
147.06503	0.2
148.07513	0.2
153.01807	2.5
160.46919	0.2
163.03873	0.4
171.02890	0.6
174.07819	0.2
176.63695	0.1
188.50464	0.2
192.06578	0.2
205.09727	0.1
206.10056	0.2
211.08658	0.6
213.10144	0.2
217.13493	0.2
225.05434	0.2
225.10239	0.6
226.10977	0.2
227.08076	0.2
239.11639	0.8
240.08846	0.2
241.09746	0.4
241.13176	0.2
243.06529	0.2
252.08592	0.3
253.09634	0.5
255.11067	0.2
257.12827	0.3
267.11252	1.2
271.05981	100.0
272.06342	1.8
272.11331	0.2
279.11356	0.2
283.05945	0.3
283.10739	0.2
285.12436	0.7
295.10785	0.5
297.12323	0.5
303.13412	0.8
313.11792	4.4
323.10114	0.3
341.11325	1.3
342.12231	0.3
373.13837	2.5
433.11316	1.2
565.15186	0.2
566.15411	0.2
579.16992	3.3
617.25641	0.4
631.23273	0.2
633.25513	0.2
643.23334	0.4
661.25110	2.2
675.26465	0.4
679.26044	1.0
693.27692	2.4
711.27844	0.5
711.50031	0.3
728.61945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68809	0.1
57.03433	0.7
61.02915	0.1
67.01855	0.2
68.99804	0.1
69.03410	0.3
70.93224	0.1
70.93578	0.2
71.01331	0.1
71.04991	1.6
73.02549	0.1
73.02917	0.9
75.04459	0.2
83.04966	0.3
85.02901	2.6
85.03416	0.1
91.05466	0.2
97.02885	0.4
109.02880	0.1
111.04428	0.1
115.03921	0.2
119.04935	0.8
121.02849	0.4
127.03874	0.2
129.05470	1.0
145.02838	0.5
147.06459	0.4
153.01813	2.2
163.03885	0.2
171.02859	0.6
187.03885	0.1
201.28290	0.1
203.06975	0.1
225.05420	0.1
225.07602	0.1
229.04976	0.2
243.06471	0.2
271.05981	100.0
272.06299	3.1
283.06027	0.1
310.19592	0.1
313.07025	0.1
363.08850	0.1
367.08218	0.1
403.10178	0.2
433.11273	1.6
565.15033	0.1
579.17029	5.5
580.17236	0.4
580.84113	0.1
689.07135	0.1
693.27863	0.1
711.21802	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	711.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.1
56.94211	0.1
57.03434	0.4
61.02911	0.1
65.03921	0.1
67.01848	0.3
68.99805	0.2
69.03426	0.4
71.01353	0.1
71.04989	0.7
71.62891	0.1
73.02901	0.5
75.04488	0.1
81.03410	0.1
83.04964	0.2
85.02898	1.6
87.04471	0.1
91.05464	0.3
91.33712	0.1
95.04973	0.1
97.02882	0.4
102.76254	0.1
102.92193	0.1
103.03980	0.1
103.04842	0.1
108.08075	0.1
109.02863	0.1
110.36326	0.1
111.00831	0.1
111.04406	0.1
115.03913	0.1
118.88187	0.1
119.04928	1.2
119.08544	0.1
120.08083	0.1
121.02849	0.6
124.07565	0.1
124.92390	0.1
125.05892	0.1
127.03907	0.2
127.96432	0.1
129.01773	0.1
129.05457	0.5
136.07567	0.2
137.06013	0.1
138.05447	0.1
138.09116	0.1
145.02806	0.5
145.04877	0.1
146.58977	0.1
147.06499	0.3
153.01810	2.8
161.05917	0.1
163.03868	0.4
164.07057	0.1
167.07019	0.1
171.02888	0.7
177.05484	0.1
179.07071	0.1
187.03954	0.1
192.06606	0.3
203.07040	0.1
206.08125	0.1
211.08629	0.1
213.10239	0.1
224.09256	0.1
225.05475	0.2
225.07603	0.1
225.10196	0.2
226.10701	0.1
229.04953	0.2
233.07977	0.1
239.11678	0.3
241.09685	0.1
241.13356	0.1
243.06506	0.2
247.06050	0.1
249.10231	0.1
252.08656	0.3
253.04822	0.1
253.09709	0.2
255.11250	0.1
257.12823	0.1
267.11142	0.4
268.12067	0.1
269.12729	0.1
271.05981	100.0
272.06323	2.0
279.11249	0.2
283.05951	0.2
283.10760	0.1
285.12283	0.3
287.05515	0.1
295.10831	0.3
297.12250	0.2
303.13345	0.2
313.07236	0.2
313.11752	1.7
317.06555	0.1
323.10132	0.2
339.09631	0.1
341.11349	0.5
355.12854	0.1
357.19492	0.1
367.07941	0.1
373.13934	0.7
383.12076	0.2
399.15521	0.1
415.15079	0.1
427.14780	0.1
433.11203	0.9
556.22681	0.1
565.14996	0.2
579.17023	2.4
580.17438	0.1
617.26208	0.1
643.23792	0.1
661.24823	0.7
675.26379	0.1
679.25714	0.2
693.27618	0.6
711.28876	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	711.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05507	1.1
57.03435	8.0
61.02915	1.6
61.05519	0.6
61.10457	0.6
67.05496	0.7
69.03432	1.6
71.01350	0.7
71.04988	40.1
71.62333	1.1
73.02895	2.7
75.04472	2.0
76.41416	0.6
77.04990	0.6
81.03398	1.1
83.04980	1.9
84.08115	0.6
85.02901	47.8
86.49901	0.6
87.04447	1.7
91.05485	0.9
93.07013	0.7
95.05009	0.7
97.02902	1.5
99.04440	1.2
103.03850	0.7
107.04967	0.9
107.08567	1.1
109.02890	1.3
109.10142	0.9
111.04424	1.9
116.98736	0.6
119.04946	4.0
121.02859	20.5
121.96790	0.8
127.03891	0.7
129.05472	5.3
130.64565	0.6
131.04936	1.3
134.99445	0.7
137.05992	1.7
145.02837	2.7
147.04433	0.9
147.06511	1.2
159.04471	0.6
163.03934	1.3
164.37735	0.6
167.03387	1.0
167.06996	0.7
170.38097	0.6
177.01892	1.0
179.03436	1.4
183.02985	0.7
187.03876	1.0
189.01836	2.6
191.03398	3.5
194.02101	0.7
195.02881	2.1
196.67102	0.6
201.05321	1.1
203.03413	3.9
205.04974	1.5
207.02872	5.2
209.04346	1.1
215.03447	2.0
217.04877	1.9
219.02901	4.8
221.04501	2.2
221.74544	0.7
227.03569	1.1
229.04913	2.2
229.65714	0.6
231.02946	1.2
231.06517	0.9
233.04411	1.9
241.04930	0.8
243.02968	1.2
245.04391	1.7
249.11189	0.8
251.07217	0.8
255.02959	1.8
257.04553	1.4
261.03946	0.8
267.06537	2.3
268.07327	1.0
269.04407	1.0
271.05997	2.2
273.04056	2.0
277.54248	0.7
279.06607	2.1
280.07336	1.6
281.05331	0.9
281.07965	3.1
283.05975	15.6
284.06766	3.6
285.03998	0.8
291.06476	1.2
292.07590	0.7
293.08063	2.4
294.05203	16.6
294.08435	0.8
295.06003	40.8
296.06757	3.4
297.07516	4.6
305.08066	2.0
307.05984	38.8
308.06708	12.0
309.07513	14.8
313.07022	22.6
317.07974	1.7
319.06049	6.6
320.06860	2.8
321.07550	22.7
322.08344	5.9
323.05493	2.3
323.09180	5.8
325.07043	44.1
326.07367	0.9
329.08130	1.2
333.07504	9.7
334.08258	1.2
335.05457	1.1
335.09045	8.9
336.06250	2.7
337.07034	55.3
338.07584	1.3
339.08627	1.7
345.07660	2.3
346.08350	1.7
347.09143	7.6
349.07022	32.8
350.07666	1.5
351.08658	13.8
351.12720	0.5
353.06415	1.0
355.08151	10.4
357.07593	1.1
359.09216	2.1
359.63919	0.7
361.06982	11.7
361.10513	0.8
362.07639	0.7
363.08572	8.6
365.06500	0.9
365.10251	4.2
367.08142	11.6
371.08691	0.8
373.07040	4.6
374.08234	1.2
375.08627	7.7
377.10208	2.4
379.08081	61.0
380.08389	2.0
385.08673	1.9
387.08652	3.2
389.10233	2.2
391.08078	24.7
392.08231	0.9
393.09796	1.8
397.09143	15.5
397.13998	1.2
399.08710	1.2
401.10443	2.0
403.07965	13.3
405.09622	6.1
409.09164	20.3
415.10397	8.6
417.09644	1.7
419.11234	3.0
421.09143	6.9
423.10852	0.8
427.10297	20.5
429.09714	1.9
433.09140	14.9
439.10281	5.2
445.11298	62.4
451.10190	16.2
456.31329	0.7
457.11273	28.6
463.10226	2.4
465.11899	0.8
469.11282	26.0
470.11508	0.8
475.10547	4.6
481.11255	14.0
482.11951	0.9
493.11218	9.4
499.12329	23.0
506.32095	0.7
511.12299	17.7
513.14691	0.9
529.13409	32.9
530.13531	1.0
547.14453	100.0
548.14642	2.4
549.16205	1.0
555.14923	1.0
565.15497	32.1
573.16180	2.7
591.16461	4.1
603.16937	2.1
645.18005	0.8
657.17401	0.9
675.19025	2.1
693.19843	3.0
711.21228	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	711.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
55.05490	0.2
57.03436	0.5
57.27554	0.1
61.02910	0.3
65.67032	0.1
67.01855	0.2
68.99802	0.2
69.03428	0.7
70.06580	0.1
70.14475	0.3
70.14828	0.1
71.01349	0.1
71.04587	0.1
71.04983	1.7
73.02911	1.4
75.04453	0.2
81.07026	0.1
81.22826	0.1
83.04967	0.3
85.02897	3.3
86.09693	0.1
87.04482	0.1
91.05448	0.1
95.04925	0.1
97.02879	0.6
97.79545	0.1
98.97552	0.1
99.04446	0.1
109.02856	0.2
110.25500	0.1
111.04423	0.2
115.03922	0.4
116.07067	0.2
119.04910	1.0
121.02863	0.5
122.06009	0.1
123.04301	0.1
127.03903	0.2
129.05457	0.9
133.04953	0.1
145.02802	0.4
145.04939	0.1
147.06514	0.4
149.05948	0.1
153.01808	2.4
153.77908	0.1
163.03839	0.2
171.02853	0.7
187.03979	0.1
192.06534	0.4
221.13045	0.1
225.05492	0.2
225.07642	0.1
229.04939	0.2
237.02689	0.1
243.06412	0.2
247.06168	0.1
252.08623	0.4
253.05013	0.1
271.05975	100.0
272.06299	2.0
279.11188	0.3
283.05997	1.2
284.06879	0.6
295.06049	0.4
297.07394	0.1
309.07547	0.2
313.07050	2.2
313.10672	0.1
317.06778	0.2
321.07690	0.1
323.09213	0.3
325.07022	0.2
337.07062	0.6
343.08191	0.2
349.07040	0.1
351.08566	0.2
355.12802	0.2
367.08231	0.5
371.12170	0.1
379.08243	0.2
383.12286	0.1
389.13190	0.1
397.08997	0.7
403.10168	0.2
415.10132	0.6
415.15118	0.2
417.16721	0.1
433.11246	3.2
434.12115	0.1
437.13071	0.1
459.12665	0.1
499.86029	0.1
534.75928	0.1
556.22607	0.2
565.15021	0.4
579.17010	8.2
580.17389	0.4
711.27661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.05495	1.9
65.03941	0.4
67.05501	4.3
67.96037	0.3
69.03399	1.6
69.07036	1.0
71.60806	0.6
71.61216	0.6
79.05484	3.2
81.03404	0.7
81.07047	5.9
83.08580	0.6
85.02896	1.1
91.05473	2.4
93.07023	4.6
95.04960	0.8
95.08600	3.8
97.02864	1.1
97.06501	0.6
105.07034	2.3
107.08574	2.6
109.10132	1.7
111.00779	0.6
111.04430	0.4
117.07032	1.0
119.08557	1.9
121.02833	2.0
121.10151	2.6
127.03845	0.5
131.08527	1.0
133.10100	1.5
135.11705	1.9
145.06413	0.5
145.10057	1.1
147.11685	1.2
149.13249	0.8
153.01855	3.1
154.72478	0.4
157.06450	0.6
159.11694	1.1
161.13214	0.7
163.14807	0.5
165.01831	1.4
173.13284	0.6
183.02837	0.7
187.14793	0.5
213.05426	1.0
228.17857	0.4
231.06458	0.7
258.05264	1.0
261.22134	1.7
287.05475	100.0
288.05789	1.8
329.06525	0.6
335.26022	0.4
369.24158	0.7
566.52234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01857	1.4
56.96551	0.4
57.03430	15.2
59.05003	0.5
61.02917	5.2
67.05505	0.6
68.11691	0.4
69.03422	30.5
69.07065	0.9
70.06581	0.5
71.01349	3.4
71.04996	0.8
73.02911	33.6
79.05499	0.7
81.03411	3.5
81.07047	1.7
83.04969	1.8
84.08129	1.0
85.02895	27.3
86.09737	0.5
87.04452	2.0
91.03935	1.0
91.05466	0.5
93.07018	0.6
95.04967	0.7
95.08601	0.7
97.02882	100.0
97.06482	0.6
98.03725	0.6
98.20754	0.8
98.97591	0.6
99.04452	1.9
103.03940	1.6
105.07021	0.6
107.04951	1.1
108.33558	0.4
109.02850	2.7
111.04447	1.2
113.02349	0.9
115.03918	45.3
116.98643	0.6
117.05469	0.4
119.04940	0.8
121.06464	0.4
121.99835	0.4
123.04443	0.7
125.05910	0.4
127.03898	6.4
131.04881	0.6
132.06517	0.7
133.04951	9.6
135.04396	1.0
137.05968	1.2
139.03912	3.0
143.03371	0.8
145.04951	6.1
145.40733	0.4
147.04417	0.8
149.04453	1.7
149.05940	0.6
151.03935	0.7
153.01776	0.4
157.04961	3.0
158.99670	0.8
161.05951	0.4
163.03915	0.9
163.06082	2.5
163.07336	0.7
165.05479	1.1
167.06969	0.6
169.04941	1.2
171.08063	1.1
175.06097	0.7
175.07533	0.5
177.00726	1.3
177.05493	0.7
181.04958	1.4
193.04971	1.6
199.06049	1.3
201.09138	1.6
211.05991	28.9
217.07053	1.5
223.06009	2.1
229.07050	17.8
229.09306	0.9
230.07327	0.4
231.10085	0.8
241.07031	5.0
243.10126	0.6
247.08134	3.1
259.08099	5.8
261.11194	1.0
265.09167	16.0
266.09448	0.5
271.05972	14.0
272.06412	0.4
273.15198	0.8
277.09344	0.6
281.15146	1.3
281.65207	0.7
282.15829	3.0
282.66129	0.4
295.10202	25.5
296.10507	0.7
391.12521	0.6
427.14014	0.4
579.17468	0.6
691.25793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01854	0.7
55.05265	0.6
55.05506	8.7
56.96561	0.5
57.03430	13.1
57.07067	0.6
59.04984	0.5
61.02922	11.2
64.88396	0.6
65.03928	1.2
67.05500	26.4
69.03419	2.1
69.07059	10.3
71.04990	3.5
71.60764	1.0
73.02904	2.8
75.04471	1.1
76.17106	0.5
79.05486	24.4
81.03405	2.5
81.07052	31.6
83.04977	2.0
83.08611	5.1
85.02417	0.8
85.02901	12.5
85.06541	2.5
91.03957	7.7
91.05473	19.9
93.07037	35.5
95.04962	3.2
95.08598	24.1
97.02880	7.2
97.06538	3.1
97.10156	2.8
99.04420	1.0
99.08083	1.8
103.03935	0.7
103.05493	0.8
105.07021	22.1
107.04930	1.2
107.08585	21.3
109.02859	0.8
109.06546	3.4
109.10146	9.5
111.08075	2.4
113.06010	1.2
113.09661	0.6
117.07001	8.6
119.08578	19.7
121.06493	1.3
121.10136	21.7
122.10461	0.8
123.08080	2.7
123.11706	3.1
125.09599	2.1
127.03912	3.5
129.05484	0.7
129.06981	3.8
130.07693	0.7
131.07010	1.6
131.08563	13.3
132.95804	0.7
133.10118	16.9
135.08018	1.3
135.11687	17.0
137.09602	2.1
139.11137	0.6
142.07730	0.8
143.08525	4.2
145.04974	3.2
145.10114	11.7
147.08063	0.7
147.11671	13.7
149.09589	1.4
149.13242	8.2
151.11176	1.0
155.10648	0.7
157.10136	3.2
159.11679	11.9
161.09569	0.6
161.13232	7.8
163.06021	4.3
163.11130	2.1
163.14789	2.9
164.23790	0.8
165.12701	0.9
167.10715	0.7
169.10080	1.0
171.11661	3.7
173.13277	5.1
175.11218	0.8
175.14821	3.7
177.12738	2.2
179.14319	1.2
185.13258	4.6
187.14789	5.7
189.12790	0.7
189.16403	0.6
191.10567	0.6
193.15846	0.6
196.50667	0.6
197.13240	0.7
199.14803	2.1
201.16409	3.4
203.14317	0.9
203.17975	1.1
205.15887	2.4
213.16260	0.6
217.15822	0.7
219.17378	3.1
219.54155	0.5
221.18962	1.3
229.14349	1.0
231.21089	1.3
241.19495	8.9
259.20569	20.2
260.20898	0.8
261.22128	0.9
269.17444	4.8
277.21609	20.3
293.21075	1.3
301.21591	0.9
311.22171	0.9
333.24164	5.7
351.25262	100.0
352.25574	3.3
367.22229	0.6
369.26263	3.9
385.23798	0.8
393.26410	1.6
403.24332	0.7
421.25677	1.2
435.27441	0.6
441.26114	1.3
459.27319	0.9
477.28214	3.5
495.29410	4.5
513.30377	9.8
737.18524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01871	12.6
55.05512	29.8
57.03434	14.3
57.07081	10.8
63.48608	1.9
65.03957	4.3
66.22198	2.3
67.05499	83.0
68.05825	2.3
69.03423	23.2
69.07059	19.2
70.60938	3.5
70.61329	4.5
71.01408	2.6
71.04997	14.1
71.86661	1.8
71.97936	1.9
73.02901	3.1
79.05486	53.3
81.03414	100.0
81.07053	84.0
83.04977	40.3
83.08613	28.0
85.02903	19.7
85.06556	4.3
87.04466	42.5
88.04802	4.9
91.05477	53.8
93.07043	60.4
95.04963	34.0
95.08604	54.0
97.02882	23.1
97.06530	9.8
97.10168	7.7
99.04455	6.3
99.08068	3.2
103.05434	3.0
104.83823	2.3
105.07031	44.6
107.04964	8.4
107.08593	32.7
109.02886	11.3
109.06525	6.7
109.10168	21.2
111.04449	16.7
111.08072	17.7
117.07001	17.2
119.08582	33.1
121.06517	7.3
121.10150	28.7
121.71198	1.9
123.08071	6.0
123.11698	9.5
124.82743	2.1
125.09638	3.0
127.03913	10.2
127.07500	2.6
129.05466	8.1
129.06993	20.8
131.04985	2.1
131.08572	31.3
133.06480	5.4
133.10139	24.4
135.08023	4.6
135.11684	19.3
137.09647	4.2
137.13263	2.4
141.07010	2.5
142.07729	3.4
143.08540	9.7
145.06453	2.8
145.10129	17.8
147.08075	6.3
147.11667	25.9
149.09615	7.7
149.13242	8.6
151.11098	2.3
153.12750	5.8
155.08546	5.2
157.06502	2.5
157.10139	16.5
159.11662	10.1
161.09705	2.5
161.13271	4.7
163.07585	2.9
163.11136	10.7
163.14861	3.5
165.12744	3.5
167.08536	3.5
169.10117	4.8
171.11713	6.3
173.09639	3.6
173.13271	6.3
175.09821	3.4
175.11156	14.9
175.14836	2.8
181.10138	3.3
181.12265	8.9
183.06708	2.2
183.11693	5.7
185.09555	2.2
185.13298	3.6
187.14795	3.6
191.10696	10.3
193.12234	46.1
199.14780	2.4
201.12589	2.5
211.13271	67.4
211.15254	4.0
213.12711	2.5
219.12216	2.6
227.12732	15.8
229.14345	6.9
259.20587	3.0
261.22192	11.7
267.15894	27.0
279.23260	2.1
283.15546	6.2
285.16953	32.0
301.21698	4.9
301.24997	2.2
303.23355	3.3
317.24820	3.6
319.22818	2.7
327.23312	2.9
335.25867	30.4
337.27386	7.5
351.23288	6.0
355.17688	3.1
366.63409	2.2
369.24048	9.4
387.25201	7.0
405.26215	3.2
411.20248	3.2
429.21310	18.4
435.32510	3.0
443.27963	5.4
461.28888	6.0
513.86481	2.3
527.37305	19.0
545.38336	54.6
546.38599	3.2
563.39581	4.1
629.40576	2.5
635.39594	2.5
653.40210	9.1
671.41779	10.5
689.42517	36.0
707.43805	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	707.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03938	7.5
55.01874	6.9
55.05259	1.8
55.05511	31.5
55.37623	1.0
57.03439	18.8
57.07058	2.9
57.49552	1.1
59.05016	1.2
61.02924	2.3
65.03927	4.3
65.26373	1.0
67.05502	79.5
67.95280	1.0
69.03429	19.9
69.06712	1.9
69.07067	21.2
71.01312	1.2
71.04988	9.6
71.36493	1.4
71.36839	1.8
73.02907	2.3
73.06552	1.6
73.45338	1.0
79.05489	58.0
80.42915	1.0
81.03414	100.0
81.07055	81.3
83.04976	37.5
83.08614	27.0
85.02906	24.0
85.06531	4.1
87.04460	1.6
91.03947	1.7
91.04894	1.5
91.05475	50.5
93.07039	60.5
95.04964	32.2
95.08601	51.2
95.09233	1.4
97.02892	24.9
97.06536	8.9
97.10145	7.7
99.04436	8.5
99.08112	3.3
101.02412	1.5
103.03944	1.9
103.05487	2.0
105.04553	1.9
105.07026	36.8
107.04963	6.6
107.08588	30.6
109.02881	13.2
109.06504	7.0
109.10152	24.7
109.10891	1.4
111.04442	18.3
111.08079	14.5
111.95560	1.0
113.05987	3.1
115.05438	2.9
117.07002	11.0
119.08578	31.6
121.06496	3.7
121.10138	29.6
123.04434	1.7
123.08098	5.9
123.11692	8.5
125.05991	2.0
125.09626	4.6
126.53493	1.0
127.03936	11.5
127.42825	1.1
128.06175	2.2
129.05498	11.3
129.06976	13.0
131.08562	26.4
133.06488	4.9
133.10127	23.2
135.08081	2.5
135.11699	16.6
137.05983	1.9
137.09579	3.0
137.13248	1.3
139.11124	1.4
141.07024	2.0
142.07765	3.8
143.08611	6.1
145.04985	1.1
145.06468	3.1
145.10126	15.1
147.08044	6.6
147.11688	24.3
149.09616	9.1
149.13275	8.9
151.07587	1.3
153.12747	5.7
155.08549	3.9
157.10115	18.7
159.08105	2.5
159.09325	1.4
159.11708	8.3
161.09633	2.1
161.13272	6.2
163.11194	6.6
163.14771	3.1
165.12773	4.5
167.08516	1.7
169.10095	3.9
171.07999	1.4
171.11725	2.7
173.09586	2.6
173.13220	5.6
175.11172	14.8
175.14830	3.3
177.12691	2.2
181.10117	1.4
181.12262	5.8
183.06552	1.9
183.08118	1.1
183.11690	3.3
185.13272	2.9
187.11232	1.6
187.14836	3.5
189.12784	1.3
191.10689	6.5
193.12234	48.2
195.11749	2.2
195.13829	1.6
199.11299	1.4
199.92332	1.2
209.11557	1.4
211.13271	76.6
212.13611	1.2
213.14804	1.6
215.14342	1.1
221.13326	1.6
227.12737	10.4
229.14325	6.0
233.15225	1.1
243.21114	3.7
249.14661	1.5
259.20569	2.7
261.22165	12.7
265.14316	1.1
267.15881	14.3
277.21609	1.9
279.23450	1.8
283.15332	6.3
285.10223	2.7
285.16971	20.3
285.21768	2.0
301.16733	1.3
301.21506	2.5
303.23358	2.4
308.11661	1.4
315.23349	1.6
317.24789	2.3
319.22681	2.4
324.11368	1.2
327.23035	1.9
335.25797	56.6
337.16595	2.8
337.27338	7.9
341.24854	1.6
351.23239	4.0
353.15753	1.8
355.17416	3.7
357.24210	1.2
363.25192	1.8
369.24197	7.8
387.25244	3.2
405.26520	3.8
411.19876	2.6
423.27307	1.3
427.19662	2.6
429.21219	12.9
435.32626	1.5
443.28040	4.1
461.28940	4.7
463.22522	2.0
463.72403	1.9
479.29907	5.0
509.36124	1.2
527.37286	10.7
543.36542	2.8
545.38391	61.9
546.38361	2.9
561.37427	1.5
563.39221	1.9
653.40503	5.7
671.41486	5.6
689.42542	27.9
690.42908	1.5
707.43591	10.3
729.57294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01861	7.4
55.05503	27.9
56.29927	3.0
57.03436	16.4
57.03666	2.4
57.07071	3.5
65.03938	5.5
67.05498	73.0
69.03426	23.4
69.07056	20.4
69.85276	16.9
71.04980	6.3
79.05486	62.8
81.03413	100.0
81.07051	73.6
83.04971	41.3
83.08609	24.7
85.02898	20.4
89.89639	2.5
91.05472	48.5
93.07040	62.3
95.04955	30.4
95.08599	45.9
95.09165	4.5
97.02895	19.1
97.06531	9.3
97.10178	7.8
99.04443	7.1
99.08125	2.7
104.64834	2.4
105.07021	41.4
107.04931	10.4
107.08589	32.8
109.02883	15.2
109.06529	8.3
109.10143	24.5
111.04447	19.8
111.08071	10.1
117.07001	12.4
119.08583	35.3
121.06477	5.6
121.10134	29.2
123.08066	6.6
123.11707	9.8
125.05973	2.8
125.09656	5.1
127.03916	10.4
128.06313	2.7
129.05467	9.5
129.07002	18.4
131.08563	23.9
133.06496	4.9
133.10123	19.3
135.04256	2.5
135.08069	3.9
135.11717	13.0
137.09621	4.0
137.13200	2.9
141.07079	4.1
142.07764	3.2
143.08539	7.5
145.06522	3.6
145.10107	19.5
147.08047	7.2
147.11681	24.9
149.09625	11.6
149.13248	5.8
150.35355	2.9
151.11209	3.5
153.12775	5.9
155.08473	4.6
157.10129	14.7
159.11681	11.0
161.13275	4.8
163.11206	10.5
165.12772	7.6
169.10165	6.3
171.11632	4.4
173.13225	3.4
175.11148	13.0
175.14838	5.3
181.10298	2.9
181.12250	9.5
183.11769	3.7
185.13268	2.9
189.12672	3.0
191.10626	6.3
193.12224	40.9
197.39442	2.6
207.13754	2.8
211.11284	6.4
211.13258	61.5
211.15240	4.0
216.52841	2.5
227.12701	13.1
229.14471	4.3
239.14261	2.7
243.20958	3.0
261.22189	7.9
261.96271	3.0
267.15952	21.1
279.23196	3.1
283.15472	8.5
285.16888	18.6
303.23383	2.6
309.16934	3.7
309.95276	2.8
335.25809	39.0
336.25717	2.7
337.16217	3.9
337.27328	8.7
340.78043	2.8
351.22949	4.0
353.15942	3.1
355.17514	3.8
369.24310	8.0
387.25189	7.6
405.26083	4.3
427.19403	3.6
429.21140	12.7
443.27884	5.4
461.28909	4.9
461.59726	2.7
471.35251	3.5
479.30136	4.8
527.37299	16.2
545.30389	3.6
545.38336	40.3
635.39233	4.8
653.40393	7.9
671.41028	10.0
689.42456	30.1
707.44092	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01875	6.5
55.05261	2.2
55.05508	28.8
57.03436	17.0
57.07064	1.8
59.05001	1.4
61.02917	2.0
61.44529	1.2
65.03928	3.4
66.83231	1.1
67.05500	80.4
69.03424	22.2
69.07061	17.5
69.34692	13.0
71.01345	1.6
71.04990	8.5
73.02898	3.1
78.04653	1.3
79.05489	53.8
81.03413	100.0
81.07053	77.5
83.04976	36.7
83.08616	28.1
85.02902	17.1
85.06518	4.4
87.04444	2.2
91.05476	50.9
93.07040	59.6
95.04966	31.8
95.08602	56.2
97.02888	23.1
97.06509	6.9
97.10141	8.1
99.04463	5.6
99.08102	1.4
101.37621	1.2
103.03927	2.7
103.05476	2.1
105.07021	37.8
107.04961	9.3
107.08591	28.3
109.02859	12.3
109.06519	5.8
109.09450	1.8
109.10148	25.6
111.04430	16.3
111.08079	13.9
113.05961	2.5
115.05454	1.8
116.06215	1.2
117.07014	11.1
119.04912	2.0
119.08575	37.5
120.08844	1.2
121.06503	3.1
121.10137	27.7
123.04471	1.5
123.08044	4.5
123.11713	10.4
125.06030	1.4
125.09585	3.7
127.03911	8.7
129.05486	10.9
129.06969	12.2
130.07756	1.2
131.04799	1.2
131.08560	23.7
133.06505	4.1
133.10121	18.6
135.08044	3.3
135.11688	14.8
137.05887	1.4
137.09621	2.7
137.13255	2.2
139.11134	1.3
141.06978	1.9
142.07771	4.3
143.08563	6.5
145.06490	2.0
145.10121	14.8
147.08092	5.8
147.11674	23.6
147.12775	2.1
149.05933	1.2
149.09595	9.9
149.13229	7.6
151.11160	1.7
153.12727	3.4
155.08543	3.2
157.10118	18.3
159.11734	8.6
161.09586	1.5
161.13199	6.5
163.07562	1.6
163.11189	8.2
163.14815	2.7
165.12740	5.9
169.10126	4.2
171.08092	1.6
171.11626	3.3
173.04355	1.1
173.09605	3.4
173.13272	5.9
175.11168	18.7
175.14850	1.3
177.12781	2.0
177.16438	1.3
181.09990	2.0
181.12236	5.0
183.11681	2.7
185.09602	1.9
185.13249	3.8
187.11205	2.6
187.14821	4.6
191.10675	8.0
193.12234	48.2
197.13272	2.7
199.11224	1.7
199.14844	2.2
201.12685	1.6
201.16417	2.4
205.15736	1.3
207.13725	1.4
209.11659	2.4
211.13277	72.8
213.12724	1.2
227.12762	11.0
229.14282	7.7
235.13168	2.2
237.82193	1.2
243.21115	2.6
249.14745	2.2
259.20483	2.1
261.22104	11.8
267.15903	15.7
273.22202	1.3
277.21783	1.4
279.23114	2.1
283.15335	5.7
285.16943	22.3
301.21704	2.2
303.22992	1.8
309.16989	1.3
315.23065	1.7
317.24564	3.0
327.23209	1.5
333.24368	1.8
335.25793	56.8
336.26047	2.1
337.16623	1.8
337.27411	8.0
341.24570	2.5
345.24048	2.5
351.23099	2.8
353.15717	1.3
355.17596	3.8
369.24133	8.4
387.25061	4.7
405.26236	2.4
411.19595	2.5
427.19800	1.7
429.21085	13.6
443.27826	3.9
461.28900	4.1
479.29770	3.5
527.37268	12.3
545.38324	67.3
546.38812	2.7
563.39294	2.2
641.40448	1.3
653.39972	5.3
671.41577	7.2
689.42517	33.4
690.42432	2.3
707.43475	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	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01871	6.0
55.05510	30.5
57.03437	13.5
57.07070	3.8
57.29078	1.8
65.03928	4.0
67.05501	80.4
67.77530	1.7
69.03419	16.4
69.07068	22.1
70.18945	9.7
71.04979	10.5
77.03914	2.1
79.05484	67.2
81.03413	56.3
81.07053	100.0
81.61808	1.9
82.03768	1.7
83.04976	24.1
83.08620	23.0
85.02897	16.8
85.06538	5.5
87.04467	6.3
91.04892	2.3
91.05475	53.3
93.07042	68.2
95.04976	18.5
95.08598	53.7
97.02876	13.1
97.06535	7.6
97.10173	6.7
98.21489	2.3
99.04448	7.0
99.08047	2.3
103.03913	3.3
105.07028	46.2
107.04961	6.6
107.08588	40.2
109.02888	10.9
109.06503	7.8
109.10149	21.3
111.04434	9.3
111.08085	8.0
113.05959	2.2
117.07021	12.3
119.08577	38.3
121.06478	3.9
121.10126	40.0
123.08082	3.8
123.11719	19.8
123.64697	2.0
125.09583	3.6
127.03873	10.9
127.07513	2.6
128.61469	1.8
129.05479	5.4
129.07018	7.9
131.08563	19.5
133.06479	2.4
133.09402	1.8
133.10144	20.6
135.11694	18.3
137.06020	1.9
137.13229	3.6
143.08571	4.8
145.10132	15.0
147.08098	3.8
147.11681	48.8
149.09599	4.5
149.13246	8.6
153.12752	4.5
155.08534	3.7
157.10136	10.9
159.07945	1.9
159.11630	9.3
161.09537	3.0
161.13257	6.5
163.11150	4.6
163.14792	4.8
165.12737	20.2
169.10117	2.8
171.11658	4.7
173.09505	2.4
173.13274	6.8
175.11183	11.4
175.14847	4.6
179.08501	2.7
181.12180	5.4
183.06508	6.4
183.13829	4.9
184.07332	4.5
185.13293	3.9
187.14803	5.0
191.10710	5.1
193.12225	22.2
201.07570	2.4
211.13257	31.2
213.12788	1.8
214.84384	1.7
227.12801	6.4
229.14365	15.7
243.21111	3.9
259.20743	2.4
261.22171	14.2
267.15869	21.6
279.23178	3.5
283.15356	2.9
285.16959	46.1
291.22952	2.0
293.33533	2.2
313.16461	5.9
317.24591	2.7
318.10104	2.0
335.25714	14.6
337.27219	4.3
351.23163	2.7
355.17599	2.4
369.24265	7.7
387.25272	6.3
393.18970	6.5
405.26422	4.8
411.20099	2.1
429.21173	6.5
443.28030	2.4
471.80765	2.0
527.37067	4.2
545.38483	23.9
595.46509	3.1
653.40009	5.9
671.41345	5.1
689.42554	14.2
707.42468	9.6
719.53113	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.0
55.01863	6.0
55.05509	34.9
57.03442	18.1
57.07067	3.4
59.22894	2.3
60.08165	3.2
65.03928	2.9
67.05499	74.1
69.03429	21.0
69.07064	19.8
71.04981	8.9
76.10857	1.9
79.05488	49.5
81.03412	100.0
81.07048	82.6
81.07517	5.3
83.04974	32.5
83.08613	27.7
85.02886	17.2
85.06519	3.8
86.09700	8.3
87.04440	5.5
90.52382	2.4
91.05476	48.6
93.07037	51.6
95.04960	31.2
95.08594	52.6
97.02897	23.7
97.06512	8.0
97.10162	8.2
99.04453	7.6
99.08057	3.5
100.56769	2.2
105.07021	44.1
107.04957	8.6
107.08587	31.1
109.02867	9.8
109.06506	7.2
109.10152	19.3
111.04411	17.0
111.08063	11.4
113.06033	3.2
117.06994	12.3
119.08569	31.4
119.23069	2.1
119.64249	2.3
121.06507	5.2
121.10126	30.0
123.08017	3.2
123.11706	13.5
125.00014	5.3
125.09669	6.1
127.03913	8.2
129.05498	11.7
129.06976	14.0
131.08551	21.8
133.06500	4.6
133.10139	16.5
135.11667	15.4
137.13255	2.9
143.08537	5.5
145.10097	13.7
147.08015	2.6
147.11700	28.4
149.09621	8.2
149.13213	5.0
153.12738	5.3
155.08548	4.0
157.10127	21.1
159.08084	2.3
159.11732	7.9
161.13284	3.4
163.11214	7.1
165.12791	7.0
169.05148	2.2
171.11722	4.0
173.09631	2.5
173.13290	5.6
175.11140	13.2
175.14925	3.1
175.51306	2.1
181.12251	8.8
183.11707	3.3
184.07312	28.9
185.07779	3.1
185.13249	3.3
187.14868	3.6
191.10701	6.8
193.12222	48.9
193.13837	4.3
199.14827	3.1
211.13272	72.2
213.16609	2.4
227.12721	11.4
228.87436	2.4
229.14378	7.5
229.70995	2.6
243.21184	2.8
249.14723	3.6
259.20538	2.7
261.22208	14.1
267.15927	15.9
270.83029	2.6
283.15338	6.0
285.16925	25.3
317.24826	3.4
335.25797	58.2
337.16296	3.1
337.27319	8.4
351.23230	3.8
355.17548	6.3
365.09448	3.0
369.24216	8.4
387.24783	3.2
429.21393	14.6
435.32352	3.2
443.27597	2.6
461.29138	4.9
479.30014	4.1
527.37323	10.5
540.38153	2.5
545.38354	60.4
546.38684	3.1
595.46814	3.8
635.38953	3.4
647.14429	2.4
653.40039	7.9
671.41510	7.6
689.42468	33.9
707.46283	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	707.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85507	0.3
56.96548	0.8
57.03415	0.4
57.14550	0.2
57.56261	0.3
59.78826	0.2
61.02910	0.3
61.57848	0.3
63.48845	0.3
63.78193	0.3
66.78941	0.3
69.03419	0.7
70.86375	0.6
70.86741	0.6
71.04984	0.4
73.02898	0.5
77.00876	0.5
81.03394	0.4
82.99872	0.5
85.02905	2.4
89.03903	0.7
94.99839	0.3
97.01409	0.5
97.02866	1.2
98.97594	1.6
99.04423	0.3
101.00872	0.7
103.02431	1.2
105.00398	0.3
110.97590	0.3
112.99079	0.4
113.00852	0.7
115.02408	1.9
115.03867	0.3
116.98627	1.7
117.03378	1.0
119.01911	7.3
119.04923	0.7
121.03473	1.5
123.54044	0.4
127.03883	0.7
128.98563	0.5
129.03978	0.9
131.00191	0.7
131.01901	6.2
133.03459	19.9
134.03592	0.3
134.99626	0.8
135.05040	0.3
137.02950	2.2
141.03951	0.7
142.19458	0.3
143.01875	3.3
145.02733	1.9
145.03494	2.6
145.04584	0.6
145.05058	0.3
146.99594	0.7
147.01413	0.7
147.05132	3.3
149.01210	1.2
149.02968	1.4
149.05945	0.3
151.04506	5.9
155.01878	7.2
156.02766	0.6
156.05063	0.6
157.03453	5.8
158.99702	0.6
159.05019	9.7
161.01465	0.5
161.02937	9.0
161.06612	1.0
163.04469	1.1
165.04001	0.5
165.06056	0.6
167.02005	0.6
169.03458	1.1
170.99567	0.4
171.05000	7.4
173.01375	0.8
173.02939	12.9
173.06493	0.6
174.03395	0.3
175.04530	7.1
177.00677	1.0
177.05583	7.1
179.01875	1.3
181.03574	0.3
183.05029	5.8
184.04578	0.6
185.02946	2.9
185.06575	2.1
187.04510	2.3
189.00670	1.3
189.02232	0.3
189.06088	3.6
191.02248	1.0
191.03889	0.5
193.03471	0.8
194.06581	0.4
195.05252	0.6
195.07111	5.4
196.02173	0.4
196.04538	0.8
197.02951	7.6
197.04796	0.6
197.06627	1.3
198.03061	0.3
198.06104	0.4
199.02892	0.4
199.04504	1.8
200.07628	0.5
201.00620	0.4
201.06052	3.8
203.03987	3.8
203.07605	0.7
205.05577	1.4
207.01781	0.3
207.05064	0.9
211.04543	3.5
213.06114	2.1
213.07904	0.4
215.03993	0.8
215.07719	0.4
217.05527	0.9
218.06339	0.6
218.08472	0.4
219.07123	27.0
220.07231	0.7
221.03041	0.5
221.05028	14.9
223.04663	0.4
225.06108	2.3
227.04007	0.5
231.07115	28.8
232.07307	0.8
233.05119	0.5
233.08705	7.4
235.04439	0.4
237.02797	1.7
237.06187	0.7
237.08191	0.5
239.02100	0.5
239.06128	0.5
243.07072	0.7
244.08232	0.4
245.05058	27.0
245.08598	1.5
246.05101	0.9
247.06708	1.7
249.02950	0.5
249.08281	0.6
255.04413	0.6
255.07127	11.6
257.03235	0.3
259.04385	0.4
259.06665	2.6
261.02814	0.3
261.08191	5.0
263.04034	0.3
263.06149	2.6
263.09845	0.4
265.07840	0.6
271.06665	0.6
273.08209	10.7
274.08273	0.4
275.06210	0.7
277.07755	0.3
279.03674	0.6
285.08121	0.6
286.07782	0.5
291.03793	0.5
291.09265	0.9
295.06607	0.3
296.09714	0.5
303.09296	1.1
321.10278	100.0
322.10522	2.8
323.09921	0.5
337.07947	0.4
339.11386	5.4
340.10635	0.4
351.11374	2.3
353.10870	1.2
362.12924	1.3
365.09085	0.4
387.07291	0.3
395.10379	2.6
401.07291	0.3
425.11090	0.9
433.12137	0.5
439.11282	0.4
451.12982	0.4
467.14200	1.5
495.11792	1.8
497.15048	6.4
513.12915	3.5
515.16095	8.0
526.33612	0.3
597.16602	3.5
671.16626	13.2
689.17651	16.9
690.18115	0.8
707.18878	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74708	0.5
55.01871	1.1
56.96554	5.3
57.03434	3.3
61.02929	2.9
69.03426	8.2
69.07051	0.8
70.06590	4.5
71.04986	1.6
71.61085	1.3
73.02910	5.9
77.00870	0.6
79.05467	0.9
79.79807	0.5
81.03400	2.9
82.99876	1.1
83.04984	0.7
84.96023	1.8
85.02898	18.0
85.85746	0.5
86.03233	0.6
87.04472	1.1
89.03909	2.2
91.03941	1.4
91.05447	1.6
95.04945	0.7
97.02890	8.4
98.03195	0.9
98.97570	9.2
99.04449	1.5
101.00861	2.8
103.02419	1.4
107.04961	1.4
109.02863	2.7
109.61048	0.5
110.97609	1.7
112.99097	1.0
113.00869	1.7
115.02454	1.7
115.03911	1.3
116.98615	10.1
117.03356	3.5
119.01904	13.3
119.04919	1.6
120.98010	0.5
121.03466	2.3
127.02438	0.9
127.03906	6.5
128.98582	3.7
129.03990	1.5
131.00203	3.2
131.01892	9.5
133.03461	17.8
133.06444	0.9
134.99652	6.3
137.01949	0.9
137.02930	4.9
137.05969	1.9
138.05508	0.7
139.03853	0.7
140.07039	0.6
141.03958	0.9
142.03514	0.5
142.08597	0.6
143.00211	1.2
143.01881	8.8
145.00806	0.9
145.02821	6.6
145.03568	3.7
145.04956	3.8
146.99632	5.5
147.01398	1.4
147.04349	3.4
147.05099	2.7
148.04753	0.6
149.01221	3.4
149.02887	2.7
149.05968	1.0
151.02728	0.6
151.04587	6.2
153.01804	1.0
154.01324	0.7
155.01872	13.7
155.03056	1.0
156.02658	0.7
156.04967	0.9
157.03481	8.3
158.01306	0.6
158.99629	4.3
159.05013	10.1
161.01228	3.5
161.02953	20.5
162.03128	1.0
162.99170	0.8
163.02646	1.1
163.03813	5.9
163.07417	0.5
165.00690	1.3
165.04057	0.6
165.06053	0.9
166.01341	0.7
167.02077	2.1
167.07095	0.9
169.03497	2.4
170.99638	2.9
171.01268	0.5
171.05023	7.9
173.01291	2.7
173.02943	28.7
173.06575	1.0
174.03104	0.9
175.02756	1.4
175.04515	8.9
177.00748	6.4
177.02254	1.0
177.05414	20.4
178.05807	1.7
179.01993	2.6
179.07021	0.9
181.00069	0.5
181.01755	0.6
182.03401	1.0
183.01732	0.6
183.03534	0.9
183.05013	5.1
184.04573	1.6
185.02942	17.5
185.06537	2.7
186.04678	0.8
187.02884	0.9
187.04491	4.6
189.00726	9.0
189.06082	3.9
191.02272	3.1
191.03976	2.4
192.04590	1.6
193.00201	1.1
193.03653	1.3
194.06465	0.8
195.01740	0.9
195.05237	1.1
195.07083	5.3
196.02278	1.0
196.04567	1.7
197.02950	11.7
197.04742	1.3
197.06670	1.6
199.02954	0.6
199.04570	2.4
200.02315	0.7
200.04390	0.9
201.00761	2.9
201.02376	0.5
201.04361	0.8
201.06052	4.1
202.02347	0.8
203.02260	1.1
203.03993	8.9
203.07545	0.9
205.00162	0.7
205.03854	1.1
205.05583	1.9
207.01717	2.5
207.05000	1.5
207.06680	1.8
208.04701	1.3
208.06805	0.7
209.03050	1.6
211.04565	2.4
212.02315	0.6
212.04341	0.9
213.00601	0.7
213.06071	1.9
215.02171	0.8
215.04025	4.1
215.07573	1.3
217.05547	2.3
219.01758	8.6
219.07124	24.7
220.02318	0.8
220.04463	0.7
221.02965	3.7
221.05075	16.1
223.01039	0.8
223.04715	0.9
225.05927	2.9
226.03694	0.6
227.02141	0.9
227.04007	3.5
231.01854	1.1
231.07130	29.7
233.05177	2.8
233.08740	5.7
235.04663	0.7
237.00435	0.9
237.02802	15.8
237.06294	1.1
238.03384	1.4
239.02051	1.2
239.04128	1.8
242.03659	0.6
243.01984	0.9
245.05060	63.6
246.05209	2.5
247.04608	1.1
248.05067	1.0
249.02896	2.3
249.08183	1.1
250.06831	0.7
251.04309	1.0
255.04303	1.2
255.07103	9.7
257.05203	2.8
259.04404	0.6
259.06610	2.7
260.04340	1.1
261.02805	5.4
261.05402	0.6
261.08206	3.9
262.03329	0.8
263.03949	1.8
263.06232	6.9
267.03918	0.7
267.07108	1.3
269.05478	1.8
272.06564	1.6
273.08237	9.8
275.06122	9.9
277.05496	0.8
279.03833	5.9
280.07040	0.6
281.07089	2.0
281.56964	0.8
282.07605	0.6
283.06863	1.0
286.07813	1.3
288.07794	0.7
289.07599	0.8
289.58264	0.7
291.03839	2.3
293.07333	1.7
295.06665	0.8
298.08130	1.6
298.58356	0.9
303.09299	1.0
305.07047	4.0
305.10196	0.9
309.04816	0.7
309.08078	0.8
310.05338	0.9
313.07449	0.7
313.12210	0.6
321.10300	100.0
322.05386	0.6
322.10461	2.7
323.06467	1.0
323.10129	2.1
335.08127	2.4
337.08215	0.6
339.11578	4.8
340.10410	0.8
348.09949	1.1
348.99518	0.7
351.11526	4.1
353.11249	2.6
355.09784	1.6
357.61148	0.6
362.09320	3.5
362.59955	2.5
363.05725	1.3
363.10156	2.7
364.09769	2.1
364.60013	1.6
365.09360	13.4
370.60352	0.7
371.09097	0.7
377.07346	1.3
379.11047	2.8
379.60690	3.1
380.11218	1.2
381.06992	2.0
383.08688	2.2
393.10327	0.7
394.10559	0.7
394.15073	1.1
395.10776	3.6
403.10251	0.9
404.14209	0.7
413.09448	2.3
425.11414	13.0
437.10852	1.3
441.09366	1.4
443.09290	0.8
451.12302	0.7
453.08875	1.7
455.11841	1.0
463.01926	0.6
467.10181	0.7
469.10623	0.9
491.09543	1.0
491.59399	0.7
495.11877	1.8
497.15402	5.5
501.11166	1.0
509.11282	1.1
513.12891	3.4
515.16394	6.7
525.11536	0.8
527.13025	3.0
535.27167	0.6
551.07880	0.7
553.11121	0.6
561.18176	0.9
569.09576	2.2
587.14288	1.3
597.16693	4.2
671.16589	9.3
689.17731	16.8
707.18903	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	706.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.2
53.03945	5.1
55.01873	29.4
55.05509	30.0
57.03442	11.5
57.07071	6.0
59.05017	3.8
59.83802	2.5
65.03922	4.7
67.05505	100.0
69.03428	51.0
69.07068	28.2
71.01347	14.5
71.04996	4.9
71.08634	6.5
71.61276	2.3
73.02914	5.8
79.05494	65.1
81.03436	10.4
81.07057	97.2
83.04975	6.2
83.08615	13.0
85.02901	28.6
85.06550	2.2
86.06030	2.2
87.04472	14.5
91.05480	48.4
93.07040	74.6
95.04964	9.7
95.08602	83.6
96.04520	5.2
97.02897	37.8
97.06528	8.3
97.10183	5.4
99.04485	3.2
99.08063	2.8
103.03983	2.4
105.07030	48.8
107.04977	5.3
107.08585	43.1
107.09281	3.1
109.06523	9.4
109.10155	35.4
111.04469	2.3
111.08094	2.9
114.05520	4.8
115.03937	24.5
117.05503	6.0
117.07009	22.6
119.08572	38.3
121.06477	6.0
121.10156	33.4
123.04396	2.4
123.08042	5.2
123.11724	12.4
128.06203	2.1
129.06990	12.3
131.08565	35.2
133.06451	3.9
133.10124	25.3
135.08075	7.9
135.11688	22.5
137.09637	3.6
137.13261	3.1
139.07581	2.6
141.06976	5.6
142.07790	2.4
143.08548	11.5
145.06509	4.5
145.10098	25.6
147.08043	5.2
147.11688	20.5
149.09695	5.0
149.13292	10.6
151.07613	2.0
151.11171	4.6
153.09154	2.4
155.08557	5.4
157.10150	9.6
159.08049	2.7
159.11691	25.1
161.09543	3.4
161.13318	14.9
163.11159	5.2
163.14835	5.7
165.09164	2.1
169.10143	8.5
171.08032	4.2
171.11649	10.7
173.09685	2.8
173.13252	15.9
175.11244	4.6
175.14853	5.8
177.12669	2.9
181.10248	2.3
183.11700	7.0
185.09714	3.4
185.13237	9.9
187.11266	3.5
187.14847	8.8
189.12833	2.5
191.10706	3.7
195.11613	2.0
195.13922	2.8
197.13286	4.8
199.11168	3.5
199.14871	6.4
201.12836	2.3
203.14349	2.7
211.14865	5.2
223.14833	3.5
225.06403	2.2
233.15407	2.9
241.19473	2.8
243.21092	3.3
247.16978	2.3
259.20593	8.2
261.22144	9.3
271.20578	4.5
273.22128	5.9
277.21686	6.8
285.22208	3.2
287.16495	2.3
287.19968	2.6
288.54291	2.0
289.21695	8.7
291.23056	4.7
297.22061	4.0
301.21677	5.5
303.23300	12.5
311.23911	4.0
315.23077	10.8
319.22839	3.8
321.22141	2.4
329.24728	6.7
339.23178	22.0
357.24194	35.2
372.19699	2.1
375.25302	26.3
393.26416	25.3
499.75369	2.2
655.00281	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31776	1.3
55.05507	5.4
57.03430	6.4
67.05167	1.5
67.05499	18.9
67.91794	1.1
69.07067	12.6
71.04984	2.5
71.13106	1.5
73.02905	1.9
79.05492	9.7
81.07052	62.4
83.04969	6.8
83.08599	6.5
85.02872	2.7
85.06523	4.7
87.81576	1.2
89.73827	1.2
91.05477	19.9
92.18466	1.2
93.07036	10.6
95.04955	1.2
95.08614	15.6
97.06516	4.2
99.08086	3.7
101.05988	1.7
105.07023	29.8
107.08577	12.6
109.06486	4.9
109.10120	2.0
113.06017	2.2
115.07567	1.3
119.08575	22.8
121.10124	20.4
123.08045	3.9
123.11694	26.3
126.24944	1.3
127.07539	3.5
129.06982	1.4
131.08554	1.2
133.10095	2.9
137.13225	3.0
141.01820	3.3
141.09135	1.4
145.10120	1.6
147.11678	66.1
148.12051	1.9
157.10135	1.9
165.12737	27.7
175.11165	3.5
183.13792	3.6
193.12276	2.7
229.14377	9.8
238.92099	1.2
267.15900	85.0
268.16260	2.8
285.16940	100.0
286.17145	1.7
307.06140	1.4
368.05478	1.4
461.20267	3.0
477.28458	14.3
495.29520	77.0
496.29565	3.3
529.50940	1.3
653.31183	1.9
668.03864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54996	0.8
53.03311	0.7
53.03936	1.0
53.81001	0.6
55.01878	1.1
55.05503	1.2
57.03429	9.0
58.06572	0.8
59.05000	1.5
61.02917	1.3
65.03956	1.0
69.03426	1.8
69.11926	0.7
69.51212	6.3
70.06580	1.5
71.01344	1.8
71.04987	40.7
73.02914	1.6
73.80077	0.7
75.04471	3.1
82.06572	5.5
83.04990	1.9
84.08137	15.5
85.02895	45.5
87.04473	1.9
88.03995	2.3
91.05477	1.3
93.07034	0.8
97.02911	1.6
98.97623	0.8
100.07577	0.9
109.02895	1.1
111.04456	2.7
116.98648	1.1
117.57040	0.7
119.04945	1.5
121.02855	19.9
121.06490	0.8
128.07068	20.7
129.05475	3.0
137.06006	1.1
145.02861	3.4
147.04475	0.9
150.05635	0.7
152.07082	0.7
155.04811	0.9
161.06015	0.8
189.05438	1.0
199.03815	1.1
201.05444	1.1
205.05032	1.5
207.02876	1.3
207.06534	1.1
213.05583	1.1
217.05057	2.8
219.02908	1.7
221.04515	1.4
227.03441	0.9
229.04996	1.5
230.08080	1.0
231.02873	1.3
233.04195	0.9
242.08192	1.7
243.02644	0.9
245.04254	0.7
269.08441	0.7
271.05951	1.4
273.03665	0.9
281.08072	1.0
283.06030	2.4
292.07324	1.6
293.08112	1.6
294.05331	3.2
295.05948	9.7
296.06537	1.2
297.07520	1.6
304.07532	1.1
305.08038	4.2
306.08746	1.0
307.06079	10.8
307.09708	4.4
308.06699	2.2
309.07480	9.0
317.07913	4.5
319.06143	2.0
319.09753	2.8
320.06857	3.1
321.07571	9.8
322.08240	1.2
323.09058	10.7
324.09628	0.8
325.07007	5.5
329.08044	3.6
331.06079	1.7
331.09824	2.2
333.07416	6.2
334.08389	2.2
335.09061	12.1
335.12460	1.1
336.09531	1.4
337.07086	8.0
337.10739	1.9
339.08514	5.1
343.09601	1.6
343.22372	0.9
345.07397	4.1
346.10895	2.7
347.09012	11.6
348.12396	5.2
349.07056	5.7
349.10852	3.3
351.08673	2.0
353.10233	4.1
357.11243	1.4
359.08987	2.6
360.12320	4.0
361.07050	4.9
361.10910	2.4
362.10602	2.1
363.08508	10.6
364.11771	2.9
365.10120	12.0
366.13510	1.2
371.09308	2.5
373.07104	2.1
373.10953	1.6
375.08493	2.0
375.12616	1.1
376.11929	3.2
377.10345	2.4
378.13397	5.2
379.08069	3.0
383.09131	1.4
385.10999	1.3
387.08636	3.2
389.10168	6.0
391.07947	8.0
392.11676	1.0
393.09653	0.9
394.12830	22.4
396.14694	2.3
398.12476	3.4
401.10156	3.2
402.13599	3.1
405.09848	2.0
409.09116	5.2
410.12268	9.6
413.10434	1.1
414.13681	1.5
415.08014	1.5
418.12823	6.1
419.11417	1.3
420.14502	2.7
421.09058	0.9
422.12540	1.1
423.10400	1.1
424.14090	2.1
430.13074	1.7
431.11392	3.4
432.14526	2.4
433.09183	4.4
436.13748	1.0
440.13376	72.0
441.13669	2.7
442.12961	0.9
444.14618	1.6
445.09561	1.5
447.10950	1.1
449.12552	1.8
457.09293	1.1
460.13928	3.5
462.15698	1.4
464.13281	14.8
465.12994	1.2
470.14658	2.3
475.10245	1.2
478.14865	6.9
480.16589	1.4
482.14450	1.0
488.13705	1.8
493.10986	1.7
494.14285	4.6
496.15811	5.2
498.18167	0.9
506.14725	3.2
524.15442	15.8
542.16541	93.3
543.16821	4.2
560.17578	66.9
561.17969	1.9
586.19189	18.7
688.22449	9.9
706.23315	100.0
707.23749	5.1
733.49762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99965	0.3
69.07111	0.3
69.84594	1.0
69.85017	0.7
82.69769	0.3
90.10211	0.3
101.87408	0.3
107.91659	0.3
149.02534	0.3
166.08748	0.3
168.45772	0.3
185.04221	0.5
259.07999	0.4
347.09662	1.1
539.31891	20.8
540.32135	0.4
542.50995	0.4
583.93970	0.3
624.59888	0.3
701.37152	100.0
702.37476	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20244	0.1
55.05470	0.2
55.22141	0.1
56.44166	0.1
58.01724	0.1
60.03620	0.1
67.05441	0.3
69.07009	0.2
81.07001	0.2
84.34219	0.1
85.02841	0.1
95.08551	0.1
98.20760	0.2
119.01873	0.1
133.03392	0.1
149.01089	0.1
149.02266	0.1
153.00490	0.2
161.02945	0.1
173.02895	0.2
185.04199	0.7
203.05275	1.7
259.07935	1.5
277.07666	0.1
305.08121	0.3
321.22751	0.6
339.23535	0.2
344.24194	0.2
347.09476	1.1
361.67044	0.3
365.10547	3.2
421.13000	1.1
539.31873	20.5
540.31879	0.6
701.37109	100.0
702.37494	3.8
702.48346	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	703.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.7
53.03936	8.8
55.01859	10.0
55.05503	36.7
56.07463	2.7
57.03430	22.4
57.07093	2.2
61.02916	8.3
65.03940	3.9
67.05498	50.3
69.03423	28.2
69.07060	16.1
69.98289	14.8
71.04994	8.7
73.02910	8.5
76.02271	2.8
79.05486	40.1
81.03407	81.0
81.07049	48.6
83.04969	18.1
83.08616	23.7
85.02905	23.4
85.06531	5.2
91.03939	3.9
91.05472	58.5
91.06006	4.6
93.07024	41.1
95.04958	27.4
95.08604	29.7
97.02885	27.9
97.06528	8.3
97.10167	9.7
99.04446	7.0
99.08122	4.0
105.07018	53.3
107.04959	15.5
107.08589	20.2
109.02875	9.8
109.06516	12.3
109.10138	17.3
111.04456	7.5
111.08094	8.7
115.05439	6.6
117.07004	28.4
119.08566	38.2
121.06528	7.4
121.10120	13.4
123.08089	7.1
123.11716	5.1
125.09648	10.6
127.03923	10.1
128.06233	4.6
129.06984	28.8
131.08560	35.5
133.06471	5.2
133.10133	24.2
135.08057	7.0
135.11687	8.3
137.09637	5.1
141.07004	12.8
142.07785	6.9
143.08521	20.6
145.06476	6.9
145.10115	37.4
146.56989	2.5
147.08066	8.2
147.11674	22.4
149.09633	8.2
151.11162	3.1
153.06926	3.9
155.08524	16.0
157.06569	4.7
157.10117	34.9
159.08034	4.9
159.11697	23.9
161.09634	7.2
161.13277	4.3
163.11247	5.9
165.12721	5.4
167.08568	10.0
169.10139	18.2
171.08063	7.8
171.11659	17.8
173.04503	5.2
173.09628	6.4
173.13266	14.5
175.11186	8.1
179.08549	4.5
181.10165	7.4
181.12277	3.0
183.08003	3.8
183.11673	14.8
185.09566	3.8
185.13248	13.4
187.11292	4.9
189.11200	5.2
189.12764	3.3
191.10620	3.1
193.10477	5.1
193.12294	19.5
194.11108	3.1
195.07968	4.1
195.11737	8.0
197.09601	3.5
197.13289	9.3
198.10451	3.0
199.11177	3.7
199.14868	5.7
201.07520	4.4
201.12679	2.5
203.14325	5.1
205.10297	2.9
207.11746	6.0
209.13318	9.3
211.13208	32.7
213.12735	7.0
215.14278	2.6
219.17458	3.0
221.13374	4.6
223.14903	3.6
223.67490	2.6
225.16316	2.9
227.12717	6.4
227.17819	2.6
229.14256	3.6
229.16280	2.6
229.19446	5.3
235.11188	3.3
239.17940	8.7
257.19006	21.9
267.15872	9.2
273.18732	3.5
275.20111	12.2
285.17026	10.5
297.22195	3.3
299.20248	3.6
319.20535	3.3
321.18173	3.7
323.20166	4.5
331.22437	12.7
337.16556	3.0
347.20496	3.2
349.17178	3.1
349.23810	4.9
355.17630	6.1
365.21146	6.0
383.22379	5.3
429.21204	6.1
431.29700	7.5
449.30365	8.8
467.31143	5.4
513.36469	3.0
523.34338	18.7
539.33685	3.5
541.35175	100.0
542.35718	4.9
559.36340	8.5
649.37097	9.1
667.38727	14.6
685.39514	22.9
703.40442	87.9
704.40753	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	701.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.6
55.01840	0.8
55.05470	1.1
57.03380	6.0
67.05449	1.1
69.03389	1.0
69.07020	0.7
71.04985	34.6
71.05348	1.7
71.61044	0.6
73.02866	0.8
75.04432	1.5
79.05421	1.0
81.03376	1.1
81.06992	1.5
83.04919	1.5
83.08543	0.4
85.02895	36.8
85.06489	0.5
87.04415	0.8
91.05420	1.3
93.06967	1.5
95.04888	1.5
95.08548	1.4
97.02825	1.4
99.04399	0.8
101.74487	0.4
102.04636	0.7
103.03915	0.6
103.05408	0.7
105.06953	1.6
107.04929	0.8
107.08546	0.8
109.02798	1.7
109.10088	0.9
111.04372	1.4
115.05396	1.0
117.07001	0.5
119.04861	0.8
119.08541	1.3
121.02818	0.8
121.06438	0.5
121.10100	0.9
127.03843	0.7
129.05481	5.5
131.04884	0.7
131.08519	0.5
133.10121	0.7
135.08061	0.6
135.11569	0.6
137.04996	0.7
137.05956	8.5
139.03806	0.5
141.01753	0.7
145.02834	0.5
145.06535	0.5
147.04306	0.6
147.06447	0.9
147.11682	0.8
149.02347	0.6
149.05948	0.8
151.03844	0.8
151.07524	2.2
159.04318	0.5
161.05865	1.2
161.09605	0.6
163.03802	0.6
163.07431	0.7
165.00555	0.6
165.01746	2.8
167.03319	1.5
167.06982	1.5
173.09732	0.5
175.07443	1.4
177.05397	1.5
179.06900	0.8
181.04907	0.8
181.12010	0.5
183.02879	2.5
187.07468	0.5
189.08997	0.5
191.06912	0.5
195.02811	1.1
203.10727	0.8
205.04817	0.7
231.08034	0.5
241.08531	1.5
243.06424	1.7
250.06322	0.6
251.06902	0.6
254.05511	1.2
264.07877	0.9
266.05679	5.2
267.06363	1.2
268.07172	1.9
278.05695	1.1
278.09268	0.5
282.05170	3.0
282.08099	0.5
286.04620	1.7
288.07578	0.5
291.06589	0.6
292.07190	2.9
293.08023	0.5
296.06784	8.4
298.04675	18.5
299.05222	0.8
300.06311	5.2
304.07056	0.6
306.08749	1.9
308.06461	0.6
309.10983	0.6
310.04593	4.1
310.08203	1.5
312.06226	0.9
316.07391	0.6
320.06625	1.2
324.06238	11.3
325.06885	0.6
328.05734	26.0
329.06012	0.9
332.06723	1.0
336.06329	1.7
338.04208	0.7
338.07822	6.1
344.06924	0.8
348.06158	2.8
352.05786	2.8
362.07971	1.7
363.08334	2.2
364.05713	3.0
374.07852	1.1
376.05673	2.0
378.07187	1.5
387.08655	1.6
388.09271	1.7
389.10062	1.7
390.07291	16.6
391.08130	4.2
392.08853	8.9
393.09622	5.6
394.06583	2.8
401.09973	1.3
402.07156	1.9
403.07434	0.8
403.11917	1.7
405.09644	81.8
406.10175	4.9
407.19812	0.6
416.08868	5.8
417.09387	5.7
419.11493	1.0
420.08347	8.2
429.09756	1.2
430.10538	4.5
431.11337	13.2
432.12177	0.6
433.09271	0.8
435.10696	100.0
436.11096	5.3
440.08682	0.7
443.11252	1.2
444.08411	2.1
445.12851	15.5
447.10757	0.6
455.11011	2.2
456.08377	1.6
458.09650	0.8
459.10715	47.0
460.11038	2.1
468.08206	1.6
471.10730	11.8
473.12354	1.8
483.10693	8.9
486.09485	1.9
489.11774	32.6
490.11850	0.9
501.11771	19.0
502.12296	1.4
519.12866	29.4
520.13232	1.4
521.14984	0.5
537.13873	62.6
538.14313	3.7
555.14911	58.0
556.15051	3.5
701.37720	0.9
701.49298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.2
61.02887	0.1
61.93401	0.0
69.03413	0.1
69.43964	0.5
71.04649	0.1
71.04984	0.8
73.02876	0.1
75.04450	0.1
83.04950	0.2
85.02428	0.1
85.02896	1.5
95.04926	0.1
95.08585	0.1
97.02852	0.1
102.04681	0.2
105.06993	0.1
117.05544	0.1
124.01516	0.1
127.03887	0.1
129.05469	0.3
137.05916	0.2
145.04932	0.1
147.06477	0.2
153.01793	0.2
163.07391	0.0
170.02127	0.1
171.02885	0.1
179.06998	0.1
181.06581	0.1
181.97485	0.1
197.05997	0.1
208.05133	0.2
226.06177	0.3
237.05452	0.3
242.05717	0.1
253.04951	1.3
254.05717	14.3
255.06116	0.4
267.06387	0.1
268.07324	0.1
270.05121	0.5
271.06009	0.1
279.06412	0.2
286.04691	39.3
287.05057	1.0
288.05057	0.2
293.07861	0.3
294.08707	0.1
305.07919	0.1
321.07486	0.3
349.07001	0.6
350.07919	0.1
378.07312	22.2
379.07770	0.6
393.09628	100.0
394.10016	2.7
435.10464	0.1
435.33453	0.1
555.14856	0.4
701.19843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06123	1.8
67.05482	1.6
69.07058	2.7
70.06575	1.4
71.58337	1.7
71.58710	2.3
94.06548	3.3
95.04952	1.9
97.06552	2.2
107.04888	1.6
107.16673	1.4
112.07534	2.4
120.45463	1.5
121.06426	1.7
122.06040	10.8
125.54896	1.4
137.05923	2.0
140.07065	21.0
146.06018	7.7
148.07593	2.3
152.07019	2.4
160.07520	1.4
161.05942	1.5
166.08694	1.5
172.03918	8.4
173.04753	1.7
174.05453	10.5
176.07053	5.0
181.05130	1.6
190.04895	2.1
191.28462	1.5
192.06454	1.5
204.04649	2.0
204.06531	17.9
205.06964	1.5
206.08118	6.6
213.10188	1.6
215.11729	2.3
225.10266	3.7
227.11795	2.0
237.08003	1.4
237.10086	6.9
239.11705	1.4
243.11212	8.4
249.10265	4.8
250.11069	2.3
251.11787	12.8
253.09709	5.2
253.13162	1.7
259.10681	3.0
263.11832	2.9
265.09702	12.4
267.11230	5.2
271.06134	1.9
277.09436	2.6
278.10458	5.1
279.07898	3.6
279.11237	17.0
280.12088	2.9
283.10776	4.0
285.12296	11.1
287.10425	1.7
293.09079	5.1
293.12784	4.0
294.09937	2.7
294.13132	1.6
295.10632	4.7
295.14185	2.1
297.12250	3.8
299.10165	1.5
303.13348	23.1
304.13666	2.2
307.10574	3.7
309.12299	4.1
311.10217	2.6
311.13913	2.9
312.10965	6.7
312.14221	1.6
313.11777	20.9
314.12384	2.2
318.16119	2.1
324.10913	4.0
325.11752	13.2
326.93527	1.6
327.13367	34.4
328.13934	1.9
330.12436	1.9
331.12848	7.4
335.10333	3.3
337.11935	4.4
339.13382	74.9
340.13913	6.4
345.14413	13.2
346.15308	2.7
347.16229	2.3
353.11386	7.0
360.17380	1.9
363.15463	2.9
367.08353	3.0
367.12860	54.9
368.13593	9.6
371.12418	2.9
372.13370	3.1
373.14084	3.0
374.14484	2.6
384.17587	1.6
385.13858	6.2
386.14838	4.3
387.15631	2.9
388.16910	3.3
399.15573	12.6
400.16470	2.0
404.15866	1.6
406.17331	5.0
414.14465	4.3
415.15256	7.3
416.15915	12.7
430.17651	1.8
432.15768	1.9
433.15900	3.1
434.16962	4.1
446.17096	4.7
447.17828	2.5
456.15659	2.0
474.16592	11.4
475.17001	6.6
476.18051	3.1
506.19202	2.3
508.20734	61.1
509.20801	3.5
526.21533	6.0
540.23376	100.0
541.23724	7.1
573.22516	2.2
615.24432	76.4
615.34491	3.7
616.24890	4.7
647.27161	11.5
665.25018	1.6
697.51031	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90234	0.2
52.83275	0.2
53.03941	0.4
55.01860	0.5
55.05519	0.9
57.03434	1.9
61.02638	0.3
61.02927	4.2
65.03942	0.2
67.05502	2.0
69.03426	2.7
69.07063	0.7
71.01353	0.3
71.03274	0.2
71.03646	0.4
71.04997	0.7
73.02918	2.6
75.04456	0.2
79.05490	2.1
81.03413	4.8
81.07046	2.8
83.04981	1.1
83.08613	1.6
85.02899	6.7
87.04474	0.4
91.03951	2.8
91.05472	3.7
91.06001	0.3
93.00739	0.2
93.07024	1.8
95.04958	1.9
95.08617	1.3
97.02883	3.9
97.06509	0.5
97.10154	0.2
98.47228	0.2
99.04456	0.7
101.02353	1.6
103.03922	0.4
105.01929	0.2
105.07025	1.8
107.04965	0.6
107.08611	1.0
109.02866	0.9
109.06516	0.6
109.10126	0.5
111.04465	0.3
111.08051	0.5
113.05981	0.4
115.03932	0.6
117.07059	0.3
119.08590	1.8
121.10143	1.0
123.08075	0.5
125.05972	0.2
125.09525	0.2
127.03915	1.4
129.06987	1.2
131.08525	1.3
133.06487	0.4
133.10135	1.3
134.98717	0.2
137.05974	0.9
137.09674	0.2
142.07843	0.2
145.04999	0.3
145.10130	0.4
147.08075	0.3
147.11678	1.9
149.09665	0.8
151.07538	0.4
155.47490	0.2
157.10130	1.8
158.21143	0.2
161.06038	0.2
165.12711	0.3
167.07111	0.6
175.11134	1.3
177.05548	0.2
185.04247	0.5
193.12212	2.6
203.05278	0.4
207.06688	0.3
211.13287	1.1
243.08392	2.1
251.12535	1.9
269.12656	0.3
285.07416	0.4
285.16913	0.6
307.15240	0.8
431.31610	0.4
469.20432	13.1
470.20990	0.4
516.63599	0.2
524.25922	0.2
535.28619	0.4
697.33990	100.0
698.34357	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	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70780	0.7
53.03942	1.6
55.05507	26.0
57.03437	7.7
57.07072	18.0
59.04967	1.0
61.02922	25.2
65.03941	1.0
67.05502	31.3
69.03426	2.7
69.07065	45.1
70.10083	3.2
70.10480	1.5
71.04989	2.4
71.08628	10.9
72.19402	0.7
73.02906	7.7
75.04468	2.4
79.05486	15.9
79.08926	0.8
81.03411	1.5
81.07052	41.8
83.04988	1.0
83.08611	35.2
83.09114	1.8
85.02898	30.4
85.06527	1.9
85.10175	7.3
89.64961	0.8
91.03950	27.3
91.05470	1.6
93.07033	19.6
95.04958	0.9
95.08600	41.2
97.02882	15.4
97.06522	8.7
97.10166	28.0
99.04452	1.7
99.08102	3.0
105.07036	1.5
107.08582	19.2
109.02866	1.9
109.10145	23.8
111.08070	7.6
111.11716	8.2
113.09668	1.0
115.04018	1.0
115.07568	1.2
121.10137	37.5
123.11689	10.6
125.09619	4.1
125.13239	1.3
127.03907	8.8
135.11681	28.7
135.12704	1.5
137.13257	4.3
139.11142	2.9
143.14322	1.4
145.04935	12.2
149.13232	10.2
151.14810	6.0
153.12749	2.6
163.06007	19.2
163.14822	5.7
165.16333	4.4
177.16391	5.3
179.17917	1.5
181.15903	1.2
191.17934	2.2
199.17012	1.7
205.19594	1.3
245.91406	0.8
247.24200	35.0
248.24580	1.0
254.58725	0.9
259.22729	0.9
265.25247	89.4
266.25656	2.5
283.26257	20.4
324.29053	0.9
339.28922	100.0
340.29108	2.4
357.29956	65.8
477.70502	0.9
501.33911	5.4
534.94641	0.8
672.63654	0.9
727.14703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
54.24281	1.4
55.05263	1.8
55.05514	25.3
57.03432	7.7
57.07074	17.4
57.21722	1.1
59.67326	1.2
60.26707	1.1
61.02633	2.1
61.02926	29.0
67.05170	2.1
67.05505	33.6
69.03438	3.6
69.07066	42.2
71.04994	1.7
71.08628	8.4
71.60925	1.8
73.02911	9.1
75.04476	2.5
79.05492	16.5
81.03425	2.0
81.07056	42.2
83.08615	41.7
85.02901	36.8
85.06531	2.9
85.10172	5.5
91.03953	28.0
91.05475	2.3
93.07039	22.9
95.08606	48.3
97.02884	15.6
97.06522	7.4
97.10167	22.7
99.04435	1.9
107.08592	16.1
109.02879	2.0
109.10150	26.0
111.08072	5.9
111.11720	9.5
115.03939	2.1
121.10139	40.4
123.11687	9.4
125.09652	2.3
125.13282	1.7
126.38006	1.2
127.03923	9.7
135.11693	30.2
137.13268	3.1
139.11179	3.2
145.04967	13.0
149.13264	14.0
151.14818	3.4
153.12753	2.2
163.06006	25.9
163.14880	6.1
165.16444	3.2
167.14372	1.3
171.13834	1.8
177.16415	3.1
191.17982	1.6
205.19308	1.4
215.85992	1.3
247.24203	36.6
265.25259	100.0
266.25620	1.6
283.26273	23.5
324.28613	1.5
339.28937	87.4
357.29984	75.9
501.33984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.05265	1.0
55.05507	12.8
55.09106	0.7
57.03435	5.3
57.07069	8.0
57.64435	0.6
60.41823	0.6
61.02921	20.4
61.25925	0.6
65.03915	1.4
67.05498	53.1
69.03415	3.2
69.07063	22.0
70.54927	2.2
71.04985	1.7
71.08627	5.2
72.04236	0.6
73.02911	8.0
75.04430	1.0
79.05484	13.3
81.03427	1.3
81.07049	67.0
83.04974	1.1
83.08134	1.0
83.08615	17.4
85.02898	22.9
85.06525	2.8
85.10158	2.9
85.10954	0.6
91.03401	1.3
91.03944	21.9
91.05474	10.4
93.07031	18.7
95.08598	61.2
97.02887	10.9
97.06507	5.8
97.10162	10.9
99.08077	2.6
105.07019	8.4
107.08590	13.6
109.06535	0.8
109.10146	30.7
111.08075	3.5
111.11697	2.5
113.09631	2.6
115.03880	1.2
119.08562	10.1
121.10131	18.6
123.11697	16.5
125.09589	1.2
125.13247	1.8
127.03905	8.2
127.11152	1.7
133.10120	13.6
135.11676	11.1
137.09583	1.9
137.13246	7.5
139.11153	1.4
141.12730	2.8
145.04959	11.0
147.11678	9.4
149.13254	9.5
151.11195	0.8
151.14803	6.2
153.12723	0.9
155.14256	2.4
161.13235	13.5
163.06003	17.9
163.14809	9.4
165.12721	1.6
165.16374	8.7
167.14317	1.1
175.14803	9.6
177.16365	1.7
179.14299	2.0
179.17924	7.6
181.15862	0.9
189.16394	4.8
196.13255	0.8
203.17981	1.5
217.19449	1.4
245.22624	57.6
246.23085	0.9
263.23679	100.0
264.24100	1.0
265.25247	1.9
281.24628	3.0
337.27328	68.9
338.27802	1.6
355.28439	19.4
371.25696	0.9
463.30670	1.5
490.97159	0.7
493.30200	0.7
499.32544	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17543	1.3
55.05522	1.3
67.48768	1.4
69.07056	3.4
69.24716	1.2
69.82597	7.1
85.02894	1.9
85.70159	1.1
91.05479	1.5
94.06548	3.9
100.11248	1.4
108.08116	1.6
121.02911	2.3
122.06026	13.0
127.55217	1.3
136.75204	1.2
137.06033	2.1
138.29155	1.1
140.07053	21.9
146.05997	9.4
148.07529	1.8
149.29109	1.1
152.07062	2.6
154.04922	1.1
162.05502	1.9
164.38768	1.2
172.03920	9.9
173.04750	1.6
174.05484	9.2
176.07085	4.2
188.07193	1.4
190.04953	2.9
191.05707	2.0
192.06548	2.7
204.06538	21.6
206.08148	6.5
208.09630	1.4
213.10237	1.9
215.11855	1.8
223.12347	1.2
225.10164	3.4
235.08728	1.9
236.09482	2.2
237.10274	4.8
238.11073	2.7
239.11707	2.0
241.09653	1.9
243.11224	8.8
248.28691	1.3
249.10242	4.3
250.11000	3.4
251.08089	1.3
251.11778	9.6
252.08873	1.3
252.12517	1.6
253.09709	4.0
253.13437	1.1
256.11899	1.3
259.10870	1.9
263.08078	1.4
263.11816	2.5
265.09683	10.9
267.11288	6.2
269.09305	1.7
271.06079	1.6
277.09546	2.3
278.10480	5.2
279.07718	3.3
279.11261	13.7
280.11981	4.2
281.12726	1.2
283.10818	3.5
284.11508	1.2
285.12308	11.3
287.05545	1.7
287.10071	1.9
290.12546	1.3
291.11227	1.3
293.09232	3.7
293.12827	6.4
294.10092	2.1
295.10757	3.6
295.14362	1.3
296.11523	1.4
297.12299	6.0
299.10303	1.6
301.11862	3.5
302.12903	1.8
303.13437	20.7
304.14337	1.7
307.10828	2.5
309.12128	3.3
311.10324	2.4
311.13864	1.7
312.11002	5.4
313.11749	16.6
319.13083	2.4
319.16534	1.6
324.10934	5.0
325.11792	12.4
327.13391	32.1
328.13943	1.4
331.12799	7.5
333.14780	1.9
335.10205	2.9
337.11591	5.7
339.13373	74.4
340.13956	4.6
344.14041	1.5
345.14459	14.1
346.15378	3.4
347.16202	1.8
353.11313	6.9
354.11871	1.7
357.14841	1.8
360.17175	2.4
363.15469	2.1
367.12869	66.2
368.13593	9.0
371.12466	2.1
372.13388	2.9
373.14078	3.4
374.14917	3.9
385.13898	7.4
386.14996	5.2
387.15610	4.2
388.16504	5.0
399.15564	13.9
400.16479	1.8
402.13861	1.9
402.18515	1.5
404.15839	1.8
406.17505	3.0
414.14386	3.4
415.15292	9.6
416.16000	12.1
428.16074	2.4
430.17627	1.7
432.15631	1.8
433.16312	3.1
434.17004	2.9
446.16934	4.3
447.18045	1.9
456.15601	1.7
474.16620	12.3
475.17218	5.0
476.17923	4.0
493.64609	1.3
506.19278	2.8
508.20770	54.0
526.22119	10.2
540.23407	100.0
541.23572	5.1
573.23315	2.1
597.23621	2.2
606.57190	1.3
615.24432	75.1
616.24304	3.9
647.27161	9.0
697.23102	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05513	39.0
57.03430	10.5
57.07063	5.1
60.04435	2.8
67.05501	100.0
69.03430	2.9
69.07063	26.2
69.34589	2.4
71.04972	6.9
71.61894	3.9
79.05488	57.4
79.55000	2.8
81.03420	3.1
81.07054	91.9
83.04984	4.9
83.08614	15.6
85.06519	4.3
86.40611	3.2
91.05480	35.6
93.07037	66.8
95.04985	8.6
95.08604	56.0
97.06502	8.4
97.10165	8.1
99.83447	2.3
105.07040	31.9
107.08598	27.2
109.06546	3.0
109.10148	35.2
111.08059	4.4
115.05441	5.8
117.07030	14.0
119.08578	20.5
121.06564	3.0
121.10125	27.2
123.04420	24.4
123.08058	4.5
123.11703	5.9
129.06984	6.0
131.04970	5.3
131.08524	18.2
133.10124	19.3
135.11676	18.8
137.05969	4.8
141.06950	7.2
143.08534	8.9
145.06496	9.0
145.10126	15.1
147.11699	8.7
149.05980	11.9
149.12186	2.8
149.13274	10.7
152.06187	6.3
153.06990	7.7
153.95480	2.8
155.08498	13.1
157.06487	8.7
157.10114	3.5
159.08054	4.8
159.11713	8.6
161.06003	22.4
161.13271	6.4
163.03926	5.7
163.07588	12.5
163.14899	2.8
165.06943	6.4
167.08563	17.8
169.06441	6.0
169.10136	4.9
171.08055	10.2
171.11714	3.7
173.05978	76.8
173.13228	7.7
174.06525	3.0
175.07510	13.5
175.14722	2.6
179.08562	8.1
181.06473	17.7
181.10170	4.6
182.07314	5.0
183.08084	21.8
185.05995	10.4
185.09660	5.7
185.13235	4.3
186.06711	3.0
187.07520	54.3
187.14838	4.4
189.05440	4.7
189.09163	6.7
193.10117	6.5
194.07306	5.7
195.08037	50.4
195.11710	3.1
196.08540	3.6
197.06030	4.2
197.09604	22.1
198.06641	3.0
199.07506	35.8
200.08359	5.3
201.09128	18.3
207.08145	8.6
209.09607	10.3
211.07602	17.5
212.08418	3.1
213.09087	67.4
214.09622	3.7
215.10660	13.6
219.08066	4.0
221.09613	11.6
223.07581	7.8
223.11182	7.7
224.08337	3.5
225.09053	15.0
225.12634	3.3
227.10666	11.2
229.12274	2.8
233.09637	4.2
235.07379	2.9
235.11125	5.1
237.09094	6.8
237.12920	3.7
238.10016	3.3
239.10638	6.1
241.12146	2.8
243.21162	4.3
247.11153	4.5
251.10739	4.1
251.14517	2.7
253.12184	4.1
259.20560	4.9
261.22125	17.5
275.19839	4.2
275.23865	3.4
277.12091	3.5
281.15527	3.5
293.15283	3.6
295.17065	3.6
297.15067	3.1
297.18396	4.0
299.16388	14.4
305.15283	4.1
307.16922	38.3
309.18399	3.9
313.18179	2.8
317.24884	3.6
323.16406	9.7
325.17938	57.5
326.18536	4.7
333.24573	4.3
335.25781	88.4
336.26022	4.4
337.17999	6.9
337.27490	3.8
341.17453	6.4
343.19083	26.8
345.18347	4.5
349.17603	3.4
351.19464	5.9
355.19083	3.6
359.18619	3.6
363.19437	5.3
373.20102	9.6
379.22723	3.8
381.20718	8.2
399.21677	13.3
415.21228	5.6
417.22638	27.7
419.25345	3.3
443.25958	3.0
502.87613	3.5
559.37671	10.4
567.38068	4.2
585.38983	11.1
589.35480	4.4
603.40253	8.8
615.40521	5.7
633.41272	7.8
641.42462	4.2
651.41687	6.4
659.42535	18.3
677.44031	55.4
678.44153	7.7
695.44952	64.4
696.45154	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.5
57.03429	3.9
57.07076	10.1
61.02921	23.4
67.05499	58.9
69.03420	2.7
69.07063	19.9
70.79406	6.8
71.04958	2.3
71.08611	6.8
71.25689	2.0
73.02891	9.1
73.19803	1.9
76.74663	1.9
79.05475	13.4
81.03391	2.4
81.07054	75.9
83.08611	13.6
85.02894	29.0
85.06514	3.1
85.10165	4.0
91.03947	28.2
91.05482	12.3
93.07047	21.8
95.04956	1.8
95.08601	71.5
97.02886	13.0
97.06526	7.6
97.10175	15.0
105.07008	8.8
107.08598	14.7
109.10148	33.1
111.08043	2.9
119.08592	14.4
121.10146	21.8
123.11700	20.9
125.09604	2.3
127.03902	8.4
133.10115	14.2
135.11688	9.7
137.09682	3.4
137.13228	9.2
141.12675	4.3
145.04944	14.1
147.11679	9.6
149.13269	10.9
151.14793	5.2
155.14201	2.6
161.13272	12.1
163.06010	20.5
163.14812	10.7
165.16328	5.7
175.14777	10.3
177.16322	3.8
179.17918	6.3
189.16347	5.4
193.15982	2.2
217.19398	2.2
245.22639	62.4
260.20367	2.3
263.23691	100.0
264.23785	2.9
265.25238	4.6
281.24847	3.5
285.67822	2.1
337.27371	42.7
355.28470	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	695.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
53.54793	3.3
55.01866	7.1
55.05503	33.9
57.03424	10.2
57.07075	4.4
65.03933	3.7
67.05170	5.5
67.05502	92.2
69.07071	28.1
70.88567	7.5
70.88910	5.9
71.04984	8.5
79.05484	60.9
81.03418	6.1
81.07047	89.4
83.04988	5.0
83.08607	16.7
87.29810	3.7
91.05470	39.2
93.07034	66.9
95.04955	13.7
95.08601	78.4
97.06538	5.9
97.10165	10.9
99.08041	4.4
103.05467	5.8
105.07026	34.7
107.08588	40.6
109.06477	3.9
109.10146	39.8
115.05428	6.9
117.07002	15.7
119.08568	21.9
121.10129	34.3
123.04441	25.0
123.08064	4.0
123.11687	10.9
125.09658	4.7
129.06996	7.9
131.04904	9.6
131.08571	17.2
133.10115	22.2
135.11705	23.5
137.05966	5.1
141.06940	8.2
143.08545	8.5
145.06482	10.5
145.10086	13.8
147.11668	14.1
149.05954	13.8
149.13280	11.4
153.07085	4.7
155.08546	15.5
157.06419	8.9
157.10097	6.4
159.11728	8.0
161.05968	27.3
161.13269	8.5
163.03957	5.2
163.07550	11.8
163.14806	6.2
165.06975	12.1
165.12898	3.4
167.08569	20.4
169.06561	8.3
169.10103	8.5
171.08130	5.4
173.05966	100.0
173.13281	8.6
174.06552	4.3
175.07541	19.8
175.14830	3.8
178.97450	3.1
179.08600	10.2
181.06461	25.6
181.10027	3.1
182.07164	4.4
183.08067	24.6
183.11659	3.6
185.05992	8.1
185.09674	3.6
187.07513	59.8
187.14789	7.1
189.09053	6.5
194.07277	5.1
195.08049	51.3
197.05952	7.8
197.09567	24.9
199.07520	36.9
201.09033	29.2
207.07983	8.7
209.09650	11.3
211.07539	17.4
211.11153	4.7
212.08197	3.9
213.09094	63.0
215.10599	7.1
221.09587	12.2
223.07520	4.5
223.11197	8.5
225.09059	13.5
227.10623	12.2
232.08784	3.7
233.09650	6.2
235.11209	4.0
237.09088	7.9
237.18428	14.1
239.10602	7.4
241.12155	4.5
243.21178	5.2
251.10695	7.1
253.12192	5.5
260.11707	4.3
261.22144	17.8
273.21973	4.6
275.23572	4.0
279.13840	3.7
279.17398	8.3
281.15234	4.6
285.14771	3.8
289.15833	7.0
299.16367	9.6
307.16858	42.6
308.17419	4.8
313.17960	5.8
323.16373	8.5
325.17981	67.0
335.19757	5.0
335.25781	100.0
336.26257	6.5
337.17838	8.9
337.27493	5.4
341.17450	4.4
343.18900	29.2
349.27673	6.1
351.19611	3.8
359.18970	5.5
363.19446	10.7
365.20990	6.2
373.20148	9.2
379.22723	7.2
381.20624	11.6
383.22510	5.5
385.19876	4.6
391.22821	4.2
393.99155	3.6
399.21600	14.8
415.21362	7.2
417.22842	36.4
543.28320	4.6
559.38232	8.3
567.38232	4.0
585.39270	12.1
603.40125	11.5
615.40295	5.1
633.41290	6.5
651.41498	4.2
659.42749	15.9
677.44153	58.8
678.44025	4.9
695.45172	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44263	0.9
53.03945	2.2
55.01877	1.0
55.05514	10.5
57.03442	6.6
57.07058	4.1
61.02927	31.6
65.03940	2.2
67.05504	63.3
69.03420	3.7
69.07062	12.6
69.71621	7.2
71.04976	3.4
71.08620	1.8
71.14011	0.9
73.02908	11.2
78.62618	0.9
79.05052	1.9
79.05492	36.1
81.03413	2.4
81.07054	81.3
82.07379	1.1
83.04970	1.3
83.08629	8.2
83.33681	0.9
84.88576	0.9
85.02901	35.5
85.06537	2.2
89.25711	0.9
91.03952	34.9
91.04518	2.2
91.05469	18.9
91.06004	1.7
93.07043	53.4
95.04961	3.5
95.08604	58.3
97.02895	16.2
97.06506	3.1
97.10153	3.9
98.21402	1.4
99.04436	2.9
99.08071	3.3
105.07027	17.0
107.08592	36.7
109.02879	1.7
109.06524	1.8
109.10149	35.2
111.08099	2.1
111.11661	1.2
115.03922	2.1
115.05439	1.1
117.07015	8.5
119.08580	15.2
119.47587	1.1
121.10137	35.1
123.08064	1.5
123.11698	19.5
125.09630	2.8
127.03918	12.6
130.12515	1.1
131.08559	17.8
131.09491	1.4
133.10135	13.7
135.11691	28.8
136.12036	1.0
137.09615	1.7
137.13240	6.9
139.11235	1.5
145.04950	16.0
145.10112	16.5
147.11690	11.0
149.09583	1.3
149.13245	23.2
151.11217	1.3
151.14809	2.3
153.12752	1.7
159.11694	13.7
161.13261	11.1
163.06009	26.9
163.11195	1.2
163.13571	1.5
163.14818	15.6
165.12715	3.1
165.16357	1.2
173.13257	15.0
175.14728	5.1
177.12778	2.1
177.16396	5.7
179.14302	2.3
187.14807	9.1
191.14352	2.0
201.16377	3.9
205.15894	1.8
215.18057	2.0
219.17482	1.6
223.16823	1.2
233.22617	3.4
243.21078	39.3
261.22134	100.0
262.22464	2.5
263.23627	2.1
279.23215	4.8
311.21912	1.1
335.25778	34.8
353.26843	67.6
354.26981	1.7
369.44940	1.0
397.44382	1.2
437.75473	1.0
456.46716	1.0
497.30997	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	695.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01859	8.5
55.05504	36.8
57.03431	13.9
57.07062	7.7
58.17086	3.5
60.87344	4.1
65.03938	6.6
66.92791	4.2
67.05499	97.1
69.07062	28.6
69.66878	31.0
71.04981	5.6
79.05483	59.7
81.03462	3.7
81.07048	97.8
83.04972	9.0
83.08623	20.6
85.06514	3.7
85.89862	4.2
91.05463	36.1
93.07032	61.3
95.04963	9.1
95.08596	71.3
97.06532	5.8
97.10161	9.2
103.05459	3.9
105.07029	26.7
107.08600	39.7
108.59140	3.6
109.10149	30.2
115.05439	6.2
117.07011	15.6
119.08535	22.2
121.10130	24.3
123.04404	21.7
123.08086	6.0
123.11673	11.5
125.09573	6.1
128.06226	4.6
129.06950	11.6
131.04945	8.7
131.08571	20.0
133.10162	18.4
135.11691	18.1
137.05972	6.1
137.13216	4.2
141.06978	13.4
143.04886	4.0
143.08556	4.9
145.06502	12.8
145.10132	13.5
147.11678	13.7
149.05981	16.1
149.13234	9.4
152.06241	7.7
153.07002	8.6
155.08582	12.9
157.06522	7.7
159.11694	7.5
161.05983	31.2
161.13254	5.8
163.03908	4.2
163.07552	17.5
163.14795	4.8
165.07034	11.9
167.08571	26.6
169.06476	12.1
169.10127	7.8
171.08078	14.0
173.05966	100.0
173.13164	4.1
175.07564	19.7
175.14818	7.2
177.05438	5.1
179.08627	7.6
181.06459	22.5
181.10115	6.0
183.08011	22.4
185.05954	5.6
185.09575	8.7
187.07524	68.9
189.05461	4.7
189.09103	11.6
189.16324	5.1
193.10139	6.7
194.07286	7.6
195.08061	63.7
196.08784	4.7
197.05846	5.6
197.09589	33.3
199.07550	56.2
201.09058	33.6
205.10164	4.8
207.07991	9.2
207.11597	7.1
209.09573	14.0
211.07521	18.1
213.09079	70.0
214.09541	4.1
215.10670	14.7
221.09641	14.9
223.07538	10.1
223.11295	5.1
225.09056	17.4
227.10687	14.9
231.54385	4.6
233.09616	6.4
235.11118	4.9
237.09137	10.3
239.10660	9.9
243.20998	5.7
249.12766	4.8
251.10696	6.8
253.12181	4.5
261.22098	21.4
279.17462	9.0
289.15851	6.4
299.16312	19.7
307.16891	35.6
311.16260	4.4
323.16293	9.8
325.17923	63.1
335.25757	84.4
337.17932	8.7
337.27280	6.5
341.17255	4.9
343.18906	31.1
351.19394	7.5
363.19501	11.0
365.20789	4.6
373.20056	7.0
381.20389	9.1
399.21613	18.5
415.21393	6.7
417.22565	41.9
487.57767	4.2
559.37921	7.9
567.38562	7.2
585.39349	18.8
603.40253	10.6
615.40253	7.2
624.95026	4.6
631.40021	4.6
633.41626	7.3
641.41168	7.1
651.42615	6.0
659.42938	20.6
677.43988	71.6
678.43933	6.1
695.45117	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.1
57.03439	16.9
63.55722	5.4
66.48080	6.3
67.05493	49.0
69.03415	12.0
69.07075	17.4
71.04986	16.8
71.60656	5.8
71.61020	7.5
79.05479	39.7
81.03444	7.2
81.07055	46.1
83.04964	13.6
85.02903	17.2
85.06497	6.8
85.28400	5.9
91.05465	39.2
93.07047	41.4
95.04988	14.3
95.08625	40.9
95.81326	6.0
97.02886	26.0
97.06519	7.2
103.87265	5.8
105.07030	23.7
107.08584	39.8
108.05808	5.9
109.06493	8.7
109.10149	20.7
117.07003	18.1
119.08567	32.1
121.10124	39.1
123.08070	9.5
123.11641	10.0
125.09591	9.0
127.03888	8.7
131.08542	18.1
133.10117	25.4
135.11674	19.6
141.31905	5.9
143.08525	8.5
145.10103	19.7
147.11673	23.7
149.13271	14.2
157.10139	8.9
159.11711	19.5
161.13225	7.5
162.43199	5.7
171.11794	8.2
173.13289	12.6
185.13234	10.0
197.67157	5.8
259.20584	19.3
277.21634	29.2
351.25266	100.0
369.26425	10.9
371.89020	6.5
474.44534	5.9
477.28497	13.3
478.28555	9.8
495.29437	15.2
513.30493	65.9
530.27234	6.0
545.85736	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05508	7.5
57.03438	7.3
57.07064	0.9
59.04985	0.8
60.59469	0.7
61.02910	1.7
67.05499	20.5
69.03420	1.8
69.06718	0.9
69.07064	12.0
70.15908	3.5
71.04962	2.9
72.10867	0.7
79.05492	12.2
81.03404	2.2
81.07051	73.5
83.04979	5.4
83.08609	8.0
85.02898	2.2
85.06540	4.9
91.03933	1.5
91.05476	18.6
93.07029	12.6
95.04951	2.7
95.08596	15.8
97.02889	1.0
97.06507	4.6
97.10147	1.5
99.04426	1.3
99.08083	3.0
101.05975	2.2
105.07025	31.3
107.04940	0.9
107.08590	13.0
109.06475	4.9
109.10152	2.3
111.08099	1.9
113.05978	1.6
119.08571	26.2
121.10136	20.9
123.08040	4.6
123.11705	31.1
127.07555	3.1
129.06972	1.1
131.08583	1.8
133.10100	3.9
135.11673	1.1
137.09630	1.3
137.13284	2.4
141.09081	1.4
145.10138	1.3
147.11676	68.9
149.09518	1.0
157.10104	3.5
165.12743	30.0
175.11243	2.4
183.13702	3.6
193.12234	2.4
229.14290	6.7
267.15900	75.2
268.16187	0.8
285.16953	100.0
306.33142	0.8
400.80441	0.8
401.14191	0.8
459.27332	2.0
477.28415	15.5
485.85541	0.8
495.29538	80.2
524.93042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
55.05505	8.6
55.70044	1.0
57.03205	1.2
57.03440	9.6
61.02929	3.2
65.03949	1.6
66.73920	1.0
67.05505	24.9
69.03423	3.6
69.07066	12.5
71.04983	4.6
71.21938	1.1
71.22281	1.9
73.02893	1.6
79.05492	18.8
81.03022	1.0
81.03414	37.5
81.07052	62.1
83.04980	10.9
83.08615	18.9
85.02896	18.3
85.06544	3.1
85.20187	1.0
91.03958	1.1
91.05478	26.2
93.07040	14.8
95.04965	17.5
95.08601	15.2
97.02864	2.7
97.06523	4.7
97.10148	2.6
99.04489	2.0
99.08076	2.0
105.07021	28.9
107.04963	4.0
107.08583	12.0
107.21181	1.0
109.06497	6.0
109.10157	3.4
111.04459	1.6
111.08086	7.1
113.06030	1.6
113.09639	1.3
116.17104	0.9
119.08570	26.0
121.06511	1.4
121.10123	14.4
123.08081	4.3
123.11703	17.8
127.07557	2.8
129.07014	6.8
131.08556	6.2
133.06490	1.8
133.10130	9.7
137.09549	2.5
137.13155	1.4
141.09079	1.4
142.07791	2.2
145.10139	2.0
147.08058	2.0
147.11679	50.2
149.09650	3.3
157.10149	9.0
165.12730	17.7
175.11166	9.6
183.13779	1.5
193.12242	29.7
211.13272	48.0
216.46693	1.2
229.14316	3.1
235.21941	1.2
267.15897	74.6
285.16946	100.0
286.17166	1.7
381.68369	1.1
409.37921	1.0
459.27322	3.5
477.28491	25.2
495.29532	90.8
496.29587	2.8
577.67090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97723	0.4
53.03940	1.9
55.05509	18.0
57.03435	17.0
57.03728	0.5
57.07069	0.7
59.04988	1.2
61.02920	4.8
63.70777	0.4
63.80175	0.5
65.03924	1.5
67.05502	27.5
69.03424	5.7
69.06714	0.6
69.07063	9.1
70.69550	0.5
70.69907	1.7
71.01343	0.9
71.04984	7.6
73.02912	2.0
73.06530	0.7
76.60601	0.5
77.03902	0.4
79.05489	30.5
80.05824	0.6
81.03413	93.0
81.07051	34.0
81.07426	0.3
83.04475	1.0
83.04975	21.4
83.08613	36.2
85.02900	40.4
85.06523	2.4
87.04499	1.2
91.03954	2.2
91.05475	42.6
93.07037	23.2
95.04964	36.2
95.08603	12.8
97.02884	6.8
97.06519	5.0
97.10168	5.7
99.04486	1.1
99.08084	1.5
101.06007	0.5
103.05477	0.6
105.07022	30.1
107.04948	10.2
107.08593	10.1
109.06512	6.0
109.10130	4.3
111.04427	3.3
111.08074	14.7
113.05998	4.0
115.05443	2.2
116.98595	0.5
117.07014	2.1
119.04942	1.1
119.08575	28.7
120.08862	0.5
121.06518	2.9
121.10128	13.9
123.08057	3.1
123.11689	1.9
125.05959	0.5
125.09612	2.5
127.03913	1.2
127.07548	1.0
128.06194	1.0
129.06998	16.8
131.07567	0.9
131.08560	17.3
133.06477	4.6
133.10123	16.4
135.08046	0.9
135.11644	0.7
137.09644	2.4
140.01152	0.5
142.07753	3.7
145.10143	2.6
147.08034	4.7
147.11681	22.5
149.09618	9.9
151.07545	0.6
151.11209	1.2
155.08580	0.5
157.10124	20.8
161.09564	0.6
163.11172	1.5
165.12770	5.1
171.11742	0.6
175.11179	22.5
183.13817	0.6
189.11205	0.8
192.36397	0.5
193.12233	65.8
194.12564	0.6
211.13280	100.0
212.13681	0.9
217.87245	0.5
227.12743	0.7
229.14377	0.6
249.14920	1.6
267.15900	41.2
268.16336	0.6
273.15015	0.7
285.16949	97.5
286.17361	1.5
367.22626	2.9
385.23599	4.9
403.24658	1.7
433.25818	1.6
441.26477	1.1
458.24081	0.5
459.27408	25.3
460.27740	0.8
477.28461	30.5
478.28818	0.6
495.29514	80.7
496.29825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01869	6.0
55.05264	1.5
55.05512	23.4
57.03429	7.5
57.07073	1.6
59.04992	1.2
59.86943	1.1
65.03935	3.0
67.05502	55.6
69.03428	26.1
69.07072	13.2
71.04974	6.4
79.05492	53.3
81.03418	77.0
81.07057	51.6
83.04978	16.0
83.08617	16.9
85.02907	16.5
85.06542	2.1
91.05482	44.1
93.07043	52.4
95.04968	31.2
95.08605	30.3
97.02886	13.3
97.06533	5.2
97.10175	5.1
99.04459	5.4
99.08058	1.6
103.03910	1.8
103.05460	1.7
105.04565	1.4
105.07030	32.1
107.04956	8.7
107.08591	28.3
109.02886	15.7
109.06520	5.7
109.10178	12.1
111.04419	12.4
111.08080	10.4
111.11662	1.5
113.06031	2.9
115.05467	2.0
117.06996	13.3
119.08582	24.3
121.06515	3.5
121.10140	22.6
123.04437	2.2
123.08092	4.4
123.11703	2.5
125.09675	3.1
127.03918	8.4
128.06218	2.3
129.05518	2.2
129.07004	12.1
131.08565	20.8
133.06493	4.8
133.10133	18.0
135.08049	2.4
135.11702	9.3
137.06036	2.5
137.09663	3.4
141.06941	1.8
142.07773	3.0
143.08578	5.9
145.06479	2.7
145.10095	12.9
147.08083	3.9
147.11681	19.4
149.09621	6.7
149.13295	4.0
151.07545	2.0
153.12766	2.9
155.08556	2.1
157.10107	12.8
159.11659	7.4
161.13277	4.8
163.07564	1.5
163.11169	6.5
163.14890	2.6
165.12811	3.3
169.10124	2.9
171.07993	2.0
171.11732	3.5
173.09651	3.5
173.13264	5.4
175.11168	12.1
175.14838	1.8
181.10179	2.3
181.12244	4.4
183.06702	1.3
183.11624	1.9
185.09564	2.1
185.13286	2.9
187.14871	2.6
189.12787	2.6
191.10619	6.6
193.12241	40.4
199.11197	1.5
199.14903	1.5
211.13283	63.2
213.12743	1.5
227.12848	4.5
229.14384	1.7
235.13332	5.4
243.21138	2.4
249.14966	1.6
259.20642	2.4
261.22165	4.4
267.15970	3.5
273.14786	3.2
277.21732	2.2
283.15567	1.7
285.16998	10.9
301.14410	2.8
301.21783	3.3
303.23035	1.3
315.23203	1.6
317.24637	2.5
327.23169	2.1
335.25742	8.3
337.16693	1.8
351.23233	4.5
355.17438	9.8
369.24274	6.5
387.25174	2.8
393.19052	2.4
405.26428	3.8
411.20108	4.4
443.28143	4.6
461.29120	5.1
527.37421	1.6
545.38660	8.2
569.38287	2.1
615.38440	2.2
635.39703	2.4
653.40479	6.1
671.41272	7.1
689.42529	100.0
690.43286	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
51.48824	1.3
53.03948	10.6
55.01867	7.6
55.05257	1.9
55.05509	28.8
57.03432	12.6
57.07078	2.2
61.02903	1.9
65.03938	4.6
67.05503	75.6
69.03425	30.1
69.06712	2.0
69.07063	17.3
69.73076	1.9
69.73486	6.8
71.01340	3.0
71.04989	9.4
73.02896	2.8
77.03950	1.3
79.05489	70.0
79.24318	1.4
81.03415	100.0
81.07053	76.2
83.04975	21.5
83.05448	1.6
83.08614	22.6
85.02902	23.0
85.06534	3.4
87.04458	2.0
91.04897	2.3
91.05478	61.6
93.07039	63.7
95.01318	1.3
95.04970	40.6
95.08604	48.9
96.05289	1.2
97.02882	20.5
97.06535	7.3
97.07065	1.1
97.10167	5.8
99.04447	6.2
99.08074	3.1
103.03939	2.0
103.05484	2.5
105.04507	1.7
105.07028	47.8
107.04954	12.7
107.08591	38.9
109.02876	15.5
109.06522	8.3
109.10147	19.0
111.04460	9.1
111.08080	9.7
113.05928	1.7
115.05456	4.6
116.06164	1.4
117.07005	16.5
119.04959	2.2
119.08581	37.7
121.06508	7.1
121.10142	25.8
123.04423	8.8
123.08079	5.7
123.11695	6.8
125.06022	1.6
125.09629	5.1
127.03934	12.4
127.07572	1.5
128.06230	3.6
129.05501	3.4
129.06998	16.0
131.04985	3.0
131.08571	28.2
133.06459	7.0
133.10130	19.8
135.08049	4.7
135.11682	16.9
137.06035	2.5
137.09590	3.0
141.06984	3.2
142.07771	3.4
143.08537	9.2
145.06493	3.7
145.10114	21.1
147.04411	2.3
147.08034	7.5
147.11694	28.1
149.06029	2.2
149.09604	5.9
149.13245	5.6
153.07039	2.4
153.12683	3.1
155.08557	7.4
157.06493	2.1
157.10123	16.7
159.08069	3.9
159.11694	12.0
161.06023	1.5
161.09682	3.5
161.13289	5.6
163.11195	9.8
163.14839	2.4
165.12695	6.1
165.26497	1.3
167.07245	1.4
167.08492	2.5
169.10086	6.5
171.08041	2.9
171.10439	1.5
171.11667	7.9
173.04507	5.3
173.05879	1.4
173.09641	4.0
173.13217	7.5
175.11188	12.4
175.14845	2.7
177.12852	1.3
181.10161	3.3
181.12222	3.3
183.11743	5.0
185.09633	3.1
185.13252	5.0
187.11153	2.9
187.14819	3.2
189.12752	2.6
191.10620	5.8
193.12236	33.1
195.11702	3.3
197.09627	1.8
197.13278	4.3
199.11206	2.2
199.14865	3.0
201.12845	1.5
201.16356	1.4
205.12270	1.4
207.13867	2.6
209.13306	2.3
211.13277	47.8
211.15184	2.4
213.12787	2.8
213.16510	1.6
217.12282	3.0
221.13304	1.7
225.14844	1.5
227.12819	5.3
229.14386	4.4
235.13232	7.3
239.18077	1.4
241.19687	2.1
245.15427	1.7
249.14807	3.5
259.13367	2.6
259.20575	1.6
261.19763	1.3
261.22089	7.0
267.15845	11.8
273.14911	4.8
273.22205	1.7
277.14508	1.8
277.21442	2.5
283.15567	2.2
285.16971	10.5
301.14255	7.0
301.21564	3.4
303.23285	1.6
315.23322	2.6
317.24908	2.2
319.15396	3.7
319.22839	2.5
323.23715	1.7
327.23239	1.7
333.22134	1.8
335.25769	19.1
337.16541	4.9
343.26450	1.4
351.23260	5.0
353.24829	1.4
355.17404	5.8
357.24310	2.4
363.25021	2.0
369.24271	9.6
375.17737	2.7
387.25424	4.3
389.34238	1.3
393.19083	1.9
394.43759	1.3
405.26489	3.9
411.20154	9.6
425.26791	1.8
443.28073	4.6
453.33884	1.5
461.29120	4.3
527.37390	9.6
543.36609	2.3
545.38495	8.7
561.36505	1.3
569.38287	2.3
611.39081	2.0
623.39648	2.0
635.39551	5.2
641.39990	1.7
653.40668	8.9
671.41559	14.0
689.42572	77.1
690.42938	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02365	1.7
52.74314	0.8
53.03950	8.3
55.01868	7.5
55.05509	28.7
57.03433	11.1
57.07068	3.1
59.04996	1.1
65.03931	5.1
67.05502	71.6
68.68375	0.7
69.03426	35.9
69.03808	1.7
69.07063	20.9
69.67730	0.8
70.21196	3.0
71.01355	1.1
71.04987	11.5
73.02929	0.8
79.05489	67.9
80.05807	1.0
81.03415	100.0
81.07053	76.6
82.03719	0.8
83.04975	21.9
83.08615	22.3
85.02898	19.8
85.03416	0.9
85.06548	3.0
87.04465	1.2
91.05476	62.2
93.07040	69.3
95.01340	0.8
95.04967	36.1
95.08602	48.0
96.08918	0.8
97.02885	19.5
97.06530	8.2
97.10152	6.6
99.04465	6.9
99.08094	2.3
103.03922	1.0
103.05468	2.0
105.04513	1.9
105.07024	47.6
107.04951	9.1
107.08588	35.8
108.08985	0.7
109.02876	19.2
109.03577	1.5
109.06503	8.3
109.10155	17.8
111.04435	14.4
111.08079	11.5
113.06004	2.9
114.38715	0.7
115.03958	1.0
115.05470	3.0
117.07015	14.7
119.04934	2.1
119.08572	37.9
121.06509	6.2
121.10133	29.3
123.04412	4.0
123.08050	4.2
123.11693	5.7
125.05991	1.1
125.09650	3.3
127.03912	11.3
127.07561	0.9
128.06227	2.3
129.05476	3.4
129.06998	17.9
131.04887	1.5
131.08565	27.6
133.06512	6.4
133.09109	1.0
133.10120	21.7
135.08067	3.5
135.11676	15.9
137.05998	1.5
137.09627	3.2
137.13258	1.0
139.11154	1.1
141.07005	4.4
142.07785	2.7
143.08530	8.1
145.04919	0.9
145.06488	3.6
145.10110	16.8
147.04472	1.0
147.08031	4.4
147.11679	26.5
149.05978	1.6
149.09628	6.0
149.13271	4.9
151.07497	1.3
151.11165	1.1
153.06989	1.4
153.12753	3.0
154.07735	1.0
155.08539	5.3
157.06512	1.6
157.10114	16.9
157.11276	1.4
159.08070	2.7
159.11674	8.7
161.06003	1.7
161.09636	2.7
161.13226	7.0
163.07617	1.1
163.11189	6.5
163.14795	1.6
165.12749	6.9
167.08519	1.9
169.10141	3.1
171.08041	2.8
171.11658	6.9
173.04500	4.0
173.09560	4.1
173.13295	6.6
175.11171	14.7
175.14862	2.4
177.12762	1.8
181.10204	2.4
181.12175	3.9
183.06517	1.0
183.11751	3.1
184.12128	0.9
185.09685	1.9
185.13254	5.0
187.11244	1.4
187.14845	2.4
189.12766	2.1
189.16408	0.8
191.10623	4.1
193.12234	40.9
195.11771	2.5
197.13274	3.3
199.11145	2.2
199.14902	2.5
201.12750	1.3
209.13318	3.0
211.13268	62.1
213.12865	1.5
215.14337	1.0
225.16397	1.2
227.12576	4.9
227.14674	1.5
227.20181	0.9
229.14368	3.2
231.13824	1.8
233.15498	1.4
235.13167	1.3
237.16437	1.2
241.19615	1.4
243.21141	2.2
245.15576	1.2
249.14818	1.8
255.14003	0.9
257.18948	1.0
259.13287	1.0
259.20544	2.3
261.22070	6.8
265.14352	1.3
267.15881	9.3
273.14844	2.3
273.22437	1.0
277.21652	2.1
283.15540	1.1
283.20535	1.1
285.16910	8.3
285.22055	1.0
287.20157	0.9
289.21661	1.2
291.15921	1.1
291.23129	1.0
297.21988	0.9
301.14258	1.9
301.21722	2.8
303.23230	1.1
309.22278	1.2
313.16364	1.3
315.23135	1.8
317.24792	2.3
319.15225	1.5
319.18900	0.9
319.22763	1.9
327.23306	1.9
333.24295	1.5
335.25806	17.2
336.26230	0.9
337.16498	3.2
341.24872	1.7
351.23099	4.4
355.17566	9.7
363.25430	1.0
369.24234	9.4
387.25235	6.0
393.19031	1.1
405.26428	3.1
411.20111	9.4
435.32605	0.9
443.27820	4.1
453.34039	1.2
454.21988	0.9
460.50299	1.0
461.29001	6.6
471.34790	1.2
479.30078	1.0
527.37311	12.5
528.38049	1.0
545.38318	9.8
557.38165	1.0
597.37689	1.6
607.40118	1.2
635.39868	2.0
641.40601	1.2
653.40253	7.4
671.41510	10.2
689.42523	97.5
690.42975	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.1
51.02380	1.7
53.03943	9.6
55.01869	8.1
55.05257	2.0
55.05507	29.4
57.03436	9.4
57.07070	2.7
57.35038	1.0
62.02341	1.2
64.99713	1.0
65.03932	5.2
67.05501	70.6
69.03065	2.2
69.03426	34.7
69.07065	19.8
71.01372	1.5
71.04982	10.0
74.09689	1.1
77.03922	1.7
79.05489	59.1
81.03413	100.0
81.07051	80.3
83.04981	21.1
83.08617	22.6
85.02895	20.6
85.06547	3.6
87.04460	14.0
91.05474	62.6
93.07034	63.7
95.04965	37.1
95.08601	45.4
97.02882	19.8
97.06531	7.3
97.10155	10.7
98.20707	2.9
99.04487	6.8
99.08086	2.4
103.03929	1.7
103.05483	4.0
105.04491	1.3
105.07027	44.9
107.04956	12.4
107.08589	34.5
108.04616	1.2
109.02203	1.9
109.02879	17.7
109.06516	9.3
109.10149	17.1
111.04435	11.5
111.08060	9.1
113.06017	2.5
115.05447	4.0
116.06227	1.5
117.07004	16.9
119.04939	2.0
119.08572	37.1
121.02865	1.2
121.06500	6.2
121.10133	28.3
123.04431	3.1
123.08060	4.2
123.11713	5.1
125.09655	3.6
127.03910	9.4
128.06238	4.1
129.05472	4.5
129.06998	18.2
131.04926	2.8
131.08553	31.5
131.09500	2.0
133.06490	4.7
133.10132	20.6
135.08061	4.0
135.11662	13.8
137.05928	1.2
137.09647	3.3
137.13283	1.5
141.06998	3.7
142.07811	5.0
143.08554	12.6
144.09300	1.4
145.06525	4.3
145.10098	18.8
147.08051	8.4
147.11684	29.2
149.05962	1.6
149.09642	7.9
149.13213	7.0
151.11076	1.8
153.12747	2.9
155.08517	5.9
157.06479	2.6
157.10130	16.3
159.08043	2.4
159.11678	13.2
161.05946	1.5
161.09573	1.9
161.13228	6.4
163.11206	6.2
163.14873	1.7
165.12727	6.3
167.08546	3.2
169.10161	5.5
171.08022	2.8
171.11639	7.0
173.04475	3.2
173.09581	3.6
173.13307	8.0
175.07681	1.7
175.11172	14.9
175.14815	2.4
177.12643	1.4
181.10141	4.3
181.12227	2.4
183.11702	5.7
185.09607	2.3
185.13246	4.8
187.11267	3.6
187.14850	2.7
189.11266	1.2
189.12823	1.7
191.10672	4.0
193.10327	2.0
193.12225	35.7
195.11754	2.8
197.09570	1.3
197.13350	3.2
199.11200	2.4
199.14824	2.2
201.12645	1.7
203.14424	1.4
205.12331	1.5
207.11639	1.5
209.13322	2.6
211.13268	57.8
212.13638	1.7
215.14337	1.9
221.13380	2.0
223.14766	1.9
227.12811	3.9
227.14655	1.5
229.14378	3.8
233.19017	1.4
235.13268	2.1
239.14365	2.3
243.21254	1.4
259.13174	1.3
259.20566	3.0
261.22107	5.9
267.15933	10.0
271.20834	1.3
273.14966	1.7
277.21704	2.4
285.16928	10.1
301.21716	2.9
303.23236	1.6
315.23248	1.8
317.25031	1.9
319.15393	1.9
319.22729	1.7
323.23615	1.6
325.21817	1.2
327.23190	1.7
331.22897	1.4
333.24182	1.3
335.25815	15.1
337.16501	3.4
339.23212	1.5
341.24762	2.2
345.23996	1.9
351.23053	6.1
355.17450	6.3
359.25967	1.3
369.24069	10.3
387.25189	7.1
405.26459	3.4
411.20169	6.7
425.26813	1.6
431.28448	1.4
443.27933	5.4
461.28860	7.4
479.30289	1.7
527.37317	9.4
545.38220	7.5
615.38831	1.5
635.38458	1.7
641.40454	1.7
653.40448	9.3
671.41370	12.9
689.42548	75.6
690.42969	6.6
694.49438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02367	1.3
52.02459	0.8
53.03940	7.0
55.01869	6.6
55.05508	30.7
57.03434	11.3
57.07068	2.1
59.04989	1.4
65.03938	4.4
67.05500	71.7
69.03427	33.6
69.07066	18.5
71.01363	1.3
71.04990	10.0
73.02914	1.3
77.03909	1.4
79.05489	68.6
79.36762	1.0
80.05841	0.9
81.03413	100.0
81.07052	73.5
82.03754	0.9
82.07401	1.1
83.04977	20.5
83.08609	24.4
85.02435	0.7
85.02899	19.5
85.06546	3.7
87.04460	1.8
91.05476	63.3
92.05799	1.0
93.07040	68.7
94.07388	1.2
95.04966	36.4
95.08604	44.8
97.02887	20.0
97.06532	8.9
97.10162	8.3
99.04456	6.2
99.08087	2.5
103.05495	1.7
105.04530	0.8
105.07024	46.5
106.07407	1.2
106.79578	1.0
107.04952	9.5
107.08594	33.5
109.02876	18.2
109.03574	1.5
109.06513	7.6
109.10155	14.6
111.04434	14.9
111.08080	9.3
113.05978	1.8
115.05418	4.4
117.07015	18.3
119.04919	1.8
119.08574	36.4
121.06467	4.2
121.10137	27.8
123.04435	2.7
123.08045	4.5
123.11712	7.6
125.05972	1.4
125.09626	3.0
127.03908	12.6
128.06218	3.0
129.05460	3.2
129.06992	16.6
131.04939	1.9
131.08563	26.6
131.09509	1.6
133.06480	5.2
133.10129	22.9
135.08055	4.5
135.11694	15.3
137.05997	2.2
137.09619	3.6
137.13274	1.8
141.06982	2.6
142.07800	3.3
143.08575	7.8
145.05452	0.8
145.06468	4.1
145.10106	16.2
147.08037	6.3
147.11679	27.1
149.05986	1.7
149.09636	6.4
149.13237	6.9
151.07571	1.9
151.11137	1.1
153.12764	2.3
155.08530	5.3
157.06410	1.9
157.10132	19.4
159.08076	3.1
159.11696	10.4
161.06000	1.1
161.09668	2.0
161.13257	5.0
163.11182	5.1
163.14828	1.7
165.07082	1.3
165.12738	6.3
167.08586	1.7
169.10089	4.7
171.08078	1.6
171.11674	6.3
173.04495	4.9
173.09657	2.9
173.13312	6.8
175.11188	13.0
175.14809	2.6
177.09073	0.9
177.12732	1.6
179.08539	1.0
179.10686	0.9
181.10141	1.5
181.12292	3.3
183.08014	1.3
183.11665	4.7
183.13530	0.8
185.09683	2.7
185.13248	4.9
187.11220	1.8
187.14838	3.0
189.11220	1.1
189.12775	1.7
189.27695	0.9
191.10641	4.8
193.12239	41.1
194.12721	0.9
195.11731	3.1
195.13840	1.4
197.13254	3.9
199.11235	1.4
199.14864	3.2
201.12804	2.9
201.16437	0.8
203.10757	1.1
205.12245	0.9
207.13818	1.1
209.11581	1.3
209.13300	2.3
211.13271	61.8
213.12827	1.3
213.16583	1.4
217.12331	1.1
217.15945	1.1
225.12836	1.1
225.16483	1.2
227.12546	4.7
229.14400	3.2
235.13127	1.8
241.19489	1.2
243.21141	2.0
249.14919	2.6
259.20654	1.6
261.22171	6.4
267.15900	9.9
273.14938	2.4
277.21732	2.8
283.15649	1.7
285.16934	9.6
289.21646	1.9
297.22107	0.9
301.14395	1.3
301.21722	2.5
306.27856	1.1
307.28317	2.2
309.22202	1.5
313.16437	1.0
313.21838	1.1
315.23245	1.5
317.24777	1.8
319.15402	1.4
319.22589	1.3
323.23764	1.2
327.23022	1.5
335.25818	15.2
337.16617	2.4
341.24692	2.0
345.24258	1.9
351.23212	5.1
353.24890	1.2
355.17578	8.2
369.24225	11.8
373.35486	1.0
387.25360	5.5
393.19312	1.3
405.26529	3.6
411.20163	6.4
435.32648	1.0
443.28012	3.8
453.33765	2.5
461.28998	6.6
471.34927	1.7
479.29770	1.4
527.37354	11.6
543.35419	1.1
545.38403	10.9
635.39246	1.3
649.35297	0.9
653.40302	6.6
671.41718	8.4
689.42548	88.2
690.42804	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03938	7.4
55.01869	6.5
55.05509	26.4
57.03431	9.3
57.07075	2.8
59.04993	1.4
60.68634	1.5
65.03940	3.7
67.05503	65.4
69.03423	33.4
69.03796	1.5
69.07066	13.6
69.93111	9.3
71.01339	1.9
71.04985	7.5
71.45126	1.3
79.05489	60.1
81.03416	91.3
81.06574	2.9
81.07054	61.5
83.04977	20.8
83.08607	22.3
83.95568	1.6
85.02903	20.5
85.06527	1.9
87.04452	2.2
91.05478	56.6
93.05527	1.7
93.07041	65.2
95.04963	35.8
95.05540	2.2
95.08602	40.6
97.02875	16.5
97.06538	7.0
97.10176	8.0
98.20802	2.6
99.04457	5.7
103.03906	2.0
103.05475	3.2
105.07024	42.3
105.07664	2.8
107.04966	6.8
107.08587	33.1
109.02863	17.0
109.06537	7.0
109.10149	15.4
111.04456	14.9
111.08076	11.7
113.06010	3.0
115.05479	2.2
117.07004	16.0
119.08567	30.5
121.06499	4.8
121.10138	30.3
123.04446	2.3
123.08070	6.0
123.11725	4.5
125.09660	4.6
127.03907	10.9
129.07013	14.6
131.08553	25.3
133.06476	3.7
133.10133	17.8
135.08086	3.2
135.11699	15.3
137.09631	2.9
142.07793	3.3
143.08600	5.6
145.06505	3.4
145.10117	12.6
147.08081	6.4
147.11684	21.0
149.09671	7.7
149.13301	6.2
153.12762	4.3
155.08560	5.1
156.09265	1.5
157.10100	13.7
159.08049	1.9
159.11699	9.2
161.13333	5.4
163.11209	8.0
163.14932	2.2
165.12845	4.3
169.10103	4.2
171.08037	1.8
171.11676	4.1
173.09663	2.3
173.13316	6.4
175.11197	15.8
175.14819	2.4
177.12883	2.2
177.16380	2.0
181.12285	4.5
183.11778	2.8
185.13307	4.3
187.14816	2.4
189.11281	1.8
191.10728	4.3
193.12238	45.0
197.13301	3.4
199.11192	1.8
199.14966	2.3
211.13277	78.1
223.11092	1.8
227.12827	5.5
229.14380	3.1
248.96695	1.6
249.14958	2.7
259.20700	4.0
261.22134	5.0
267.16019	4.5
268.44092	1.6
272.65311	1.9
277.21722	3.2
283.15561	2.5
285.16928	10.9
301.14258	2.9
301.21823	2.2
317.25211	1.5
319.22729	2.1
319.36371	1.7
333.22180	2.1
335.25916	7.3
337.16605	4.5
351.23349	4.3
355.17456	8.6
369.24228	11.5
387.25494	5.3
405.26511	4.7
411.20413	6.1
443.28064	5.0
461.29019	6.8
479.30667	2.2
535.75293	1.8
545.38391	9.7
585.38544	1.8
611.40326	1.7
653.40466	7.4
671.41455	9.3
689.42566	100.0
690.42969	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52867	1.3
55.05504	12.3
57.03434	12.5
57.07068	2.7
59.04992	2.8
61.02913	4.6
65.03941	2.8
66.04347	1.5
67.05499	100.0
69.03426	3.1
69.07069	9.6
69.63336	10.9
71.04987	3.4
79.05486	19.5
81.03437	1.8
81.07050	39.2
83.04999	2.1
83.08615	10.5
85.02883	4.3
85.06542	3.2
91.03967	2.8
91.05459	14.7
93.07034	30.3
95.04965	2.6
95.08604	31.1
97.02886	3.3
97.06547	1.6
97.10192	2.1
103.03880	1.4
105.06991	7.5
107.08582	13.5
109.10147	74.6
110.10491	1.5
111.08075	5.1
117.06986	3.4
119.08593	12.0
121.10146	13.3
123.11690	5.1
125.09600	2.3
131.08543	5.3
133.10139	4.6
135.11690	7.1
137.09560	3.1
145.10126	3.0
147.11699	3.7
149.13283	5.5
155.10655	4.0
159.11620	3.3
161.13229	3.0
163.14786	1.4
163.38510	1.3
173.11772	24.4
173.13287	4.7
187.14819	2.8
195.74379	1.5
227.12753	2.6
229.14328	95.9
243.21063	6.0
261.22125	21.6
317.24707	3.1
335.25772	88.4
336.26093	3.3
381.59320	1.7
397.31274	1.8
485.73270	1.5
489.35684	69.4
490.35739	3.6
507.36719	5.1
540.92944	1.5
673.83667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.9
56.42155	2.0
57.03434	6.0
64.33284	2.1
65.32926	2.2
67.05165	2.7
67.05499	31.3
69.07067	16.2
71.04981	3.6
79.05477	11.9
81.07053	88.1
83.04959	8.7
83.08601	8.5
83.54574	2.1
85.02894	2.8
85.06533	5.6
91.05482	23.0
93.07036	11.9
95.04964	3.9
95.08612	22.6
97.06514	8.0
99.08073	6.2
103.15193	2.5
105.07027	43.0
107.08590	15.2
109.06492	5.4
113.06010	2.2
119.08582	27.2
121.10146	22.7
123.08035	5.4
123.11703	31.8
127.07571	4.1
133.10135	2.6
137.13217	2.4
141.01819	4.0
141.09113	2.5
147.11684	85.1
157.10104	5.2
165.12743	37.5
175.11179	4.2
183.13789	4.1
193.12277	3.0
229.14355	10.8
267.15900	90.2
285.16925	100.0
443.18494	3.6
477.28342	17.9
495.29507	90.9
581.17078	2.9
689.36359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55932	1.9
51.61882	1.8
51.74927	1.6
52.56407	1.8
55.05504	20.7
57.03431	7.0
57.07076	12.7
61.02920	25.0
61.35980	2.1
67.05504	27.8
69.03413	3.1
69.07062	43.7
69.07410	4.1
70.02416	8.5
71.04988	2.1
71.08629	8.8
73.02924	10.0
75.04477	1.9
79.05481	13.8
81.03407	3.1
81.07045	42.3
83.08132	3.7
83.08611	40.6
85.02900	28.1
85.06530	2.2
85.10175	5.9
91.03945	26.4
93.07038	21.8
95.08602	48.5
97.02890	14.6
97.06522	8.6
97.10168	24.8
98.20792	2.7
99.08121	2.8
107.08595	16.9
109.10159	18.0
111.08074	5.6
111.11720	7.9
113.76218	1.7
121.10142	47.6
123.11706	9.0
125.09623	3.3
127.03915	11.6
135.11676	37.0
137.13260	6.6
139.11151	4.6
145.04921	13.6
149.13275	14.1
151.14835	7.1
153.12772	2.8
163.06013	20.8
163.14812	6.8
177.16357	2.9
233.22647	30.9
251.21019	3.8
251.23686	88.9
269.24747	25.0
325.27350	100.0
343.28418	78.9
344.28870	3.3
487.32565	6.3
490.51828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10538	0.3
58.09067	0.3
69.07050	0.5
70.01676	0.8
70.02087	1.3
74.95391	0.3
79.05486	0.7
81.07051	0.9
91.05439	0.4
95.04947	0.4
95.08607	0.7
105.07046	0.5
107.08603	0.4
119.55794	0.4
185.04167	0.7
203.05305	1.6
249.43265	0.3
259.07941	1.1
287.18625	1.6
305.19809	0.6
347.09491	1.2
365.10672	2.6
385.24902	0.4
421.12997	1.3
523.28766	21.5
524.28955	0.4
685.33997	100.0
686.34497	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90928	0.5
53.03917	0.7
55.01857	1.0
67.05471	0.9
69.03391	0.8
69.75854	1.9
69.76279	1.5
81.07027	1.2
83.04960	0.5
85.02862	0.8
91.05467	3.2
93.07033	4.0
94.06519	1.9
95.04922	1.5
95.94861	0.4
97.02834	0.8
98.20694	0.6
107.04939	0.6
107.08558	0.6
108.08084	0.9
110.05988	1.2
111.08056	3.5
119.08562	0.7
120.08121	0.6
121.06461	1.7
121.10143	0.6
122.06038	4.2
123.04411	0.7
124.07500	0.6
125.76237	0.5
134.09648	3.8
135.07994	1.3
136.07578	6.5
137.05922	2.2
140.07053	4.2
147.06639	0.6
148.07524	1.5
150.09160	2.3
152.10686	2.9
154.08630	5.9
160.07550	1.4
162.05420	0.6
162.09135	26.8
163.07484	1.7
164.07053	2.1
166.08679	4.1
167.07047	1.1
170.09622	0.8
171.09128	1.7
172.07483	0.6
173.10692	3.4
174.05353	0.6
174.09091	1.6
176.10664	0.6
177.16389	0.7
178.08572	0.7
180.10187	23.7
185.10635	0.6
186.07664	0.6
187.12170	0.6
190.08635	3.6
196.07492	0.6
196.97194	0.6
198.09082	1.5
199.08611	3.1
200.07077	0.6
200.09395	0.8
201.10242	3.3
202.08580	0.8
203.12056	0.5
204.06459	0.8
208.09677	63.1
209.10098	1.1
213.10219	4.7
215.08174	4.3
215.11722	1.8
220.09641	1.9
222.11357	0.7
225.10100	1.3
226.08624	1.2
227.08147	8.0
228.08807	1.1
233.07858	0.7
239.11710	0.9
240.08945	0.8
241.09676	10.2
242.10347	0.8
243.11263	12.9
245.09172	4.4
246.07585	1.9
251.11739	0.6
252.09029	0.6
253.09740	1.6
257.09155	1.0
259.10767	10.2
261.12436	1.2
264.08682	1.7
265.09564	2.1
266.10364	0.7
267.11282	1.9
269.09219	8.7
279.11224	1.6
281.09094	1.7
283.10645	1.1
285.08667	1.5
286.09280	0.7
287.10242	91.4
288.10529	1.2
293.09131	1.2
295.10651	2.7
297.12305	0.9
298.12946	0.7
301.11850	0.9
303.04907	0.7
305.11414	1.0
307.10669	0.7
309.12222	1.6
311.10229	1.0
313.11716	3.0
319.12973	7.7
320.13120	1.0
325.11847	1.2
335.10263	0.6
337.11856	2.2
339.09512	1.0
341.11362	1.9
345.14630	0.7
353.11310	6.1
354.12219	0.8
355.12796	1.1
358.15866	0.6
388.16196	0.6
406.18674	0.5
416.15955	0.9
426.16711	0.6
430.17654	0.9
431.16183	0.5
434.17383	0.6
444.17194	0.8
448.18701	0.8
449.16644	0.8
450.20346	0.9
458.16913	1.1
468.21451	2.5
476.18304	3.7
478.19736	0.6
494.19202	52.0
495.19577	1.0
508.21069	1.3
512.20251	19.4
526.21814	100.0
527.22150	2.2
607.28076	0.6
615.24646	2.2
633.25128	1.5
634.24731	0.7
647.26245	0.7
651.25958	2.8
665.28009	0.8
683.29236	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85500	0.4
55.01859	0.6
55.05484	0.9
61.11109	0.4
67.05473	0.6
68.05007	0.5
69.03392	0.5
69.07034	1.4
69.61468	2.4
71.04955	0.6
83.04946	0.4
84.04517	0.5
84.08110	0.7
85.02869	1.1
91.05421	0.4
94.06567	3.1
95.04926	1.2
97.06504	0.7
98.06038	0.4
105.07006	0.4
108.08059	0.7
110.05994	1.2
112.07578	0.6
116.04898	0.6
119.08571	0.4
122.05161	0.6
122.06017	11.6
123.04354	0.6
124.07545	0.7
126.05474	0.5
130.06561	0.4
134.05907	0.6
134.93591	0.3
136.07552	1.1
138.05409	0.6
140.07051	13.7
144.04419	1.8
146.05991	7.2
148.07535	1.1
149.07030	0.5
150.05464	1.4
152.07039	1.9
158.09595	0.9
160.07497	1.0
162.05487	1.5
162.09158	0.4
164.07056	1.4
170.09616	0.9
172.02513	0.7
172.03925	12.1
173.04565	1.1
173.10727	0.4
174.05489	5.0
174.09047	0.8
175.08673	0.8
175.12257	0.7
178.08647	0.6
182.08195	0.5
185.08368	0.8
186.09158	5.0
187.08649	1.1
188.06979	0.5
188.09412	0.9
190.05089	0.5
191.05765	1.3
192.06590	0.5
196.07532	0.7
198.09161	1.0
200.07092	0.7
200.10606	1.7
201.10211	1.0
202.09119	0.6
202.10986	2.6
203.11789	5.6
204.06546	18.0
205.06940	0.7
206.08101	7.0
211.08694	0.4
212.06961	0.4
213.10255	1.8
214.08615	10.1
214.10677	0.8
215.08151	4.9
215.11710	0.5
216.08618	0.5
217.09682	1.4
218.10625	0.5
226.08557	0.5
226.11026	0.4
227.11815	1.3
228.06676	0.5
228.10332	3.1
229.09715	3.4
230.10526	1.2
231.11223	6.4
240.08913	0.6
241.09721	2.8
242.08084	3.4
242.10338	0.6
243.11220	1.4
245.09084	2.2
245.12920	0.5
246.09938	0.6
247.10745	1.8
255.11278	6.2
256.09641	2.6
257.09338	1.3
257.12860	1.5
258.09943	0.8
259.10754	75.3
260.11026	2.8
271.06097	0.9
271.10718	2.5
272.11505	0.5
273.12277	5.5
275.10553	0.4
279.11420	0.6
283.10782	4.0
285.12366	1.1
287.10236	1.2
289.11874	0.8
299.10339	0.8
301.11810	62.5
302.12268	2.5
313.06775	0.5
313.11810	8.0
315.13351	4.1
316.13669	0.5
317.11343	0.8
318.12006	0.5
319.12851	100.0
320.13107	2.9
331.12814	3.9
335.12344	3.6
336.13040	0.8
337.13892	30.1
338.14310	1.0
345.14426	9.6
347.15961	0.7
359.12589	0.5
363.15573	1.2
383.12311	0.8
387.03940	0.6
396.70105	0.4
415.31580	0.5
488.15005	0.4
490.15997	0.5
505.18494	1.2
508.17313	1.6
523.19299	0.6
524.19989	0.4
553.20691	0.4
565.48804	0.4
613.22565	0.4
621.18414	0.5
631.23462	0.5
645.25464	0.9
649.25092	0.7
663.26434	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	681.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
55.05497	1.2
57.03443	4.3
59.04985	0.7
61.02911	2.3
69.03426	1.6
69.07063	1.2
69.57150	2.5
69.57574	3.9
71.04991	27.8
73.02904	2.7
75.04469	1.3
81.03416	1.2
83.04949	2.1
84.08123	0.9
85.02900	37.5
87.04436	0.7
89.06010	0.7
91.03944	2.5
91.05459	0.9
93.07061	0.8
95.04967	0.8
97.02898	3.2
98.97590	0.9
99.04438	1.6
107.04929	1.2
109.02860	1.0
109.10149	0.9
111.04429	1.0
115.03868	0.8
119.04939	2.4
121.02865	18.1
122.06010	2.6
127.03909	1.8
129.05467	4.3
132.99336	0.8
136.07512	1.4
137.05975	2.8
138.05544	1.0
140.07104	3.7
145.02802	2.2
145.04999	1.0
146.06010	1.8
162.09193	1.1
163.03845	1.3
167.07037	1.1
172.03902	1.3
173.05949	1.0
174.05513	1.1
189.01845	2.5
191.03410	1.0
195.02884	1.5
203.03391	3.5
203.06862	0.9
204.06589	2.8
206.08174	1.2
207.02841	2.0
207.06526	0.9
208.09740	2.0
213.05380	0.9
215.03419	1.9
215.08263	0.8
217.04987	1.9
219.03035	0.9
221.04544	2.1
230.08386	0.7
233.04462	1.2
241.04987	1.4
245.04449	1.5
249.09998	0.8
253.05077	0.8
255.11180	1.0
259.10715	4.8
269.04294	0.9
271.06033	3.2
273.03931	1.5
279.06693	1.4
279.11093	0.9
281.08191	2.4
283.06018	5.1
283.10522	1.2
287.05505	12.2
288.05820	1.3
292.07358	1.5
293.08383	2.0
294.05179	5.4
295.05988	24.1
296.06860	1.7
297.07553	2.5
301.11780	3.5
306.08908	1.8
307.06021	20.6
307.09552	1.3
308.06760	5.8
309.07498	7.5
313.07071	4.0
313.11218	1.0
315.13513	2.9
317.07849	2.1
319.05933	2.7
319.12833	4.9
320.06836	4.1
321.07587	21.5
322.04831	1.0
322.08276	2.7
323.05417	1.0
323.09317	3.2
325.07040	28.4
325.11044	1.1
326.07443	0.9
329.07938	1.2
333.07532	11.8
334.08252	3.5
335.05511	1.6
335.09109	8.7
335.12354	1.6
336.06189	1.2
337.07037	23.1
337.13565	1.2
339.08459	1.9
345.07593	6.5
345.14322	1.2
347.09085	3.4
348.06100	0.9
349.07037	24.6
349.10419	0.9
351.08569	10.8
353.11206	1.7
355.08194	2.9
359.09213	1.4
361.02240	10.7
361.07028	10.6
361.10657	0.6
362.07623	1.1
363.08667	12.7
367.08011	9.0
373.07199	7.9
375.08566	5.0
376.09964	2.8
379.03494	3.1
379.08072	36.1
380.08304	1.2
383.12286	1.7
385.09293	8.0
385.13724	1.0
387.04742	5.9
387.09387	1.8
387.55869	1.3
389.10312	2.0
391.08093	35.7
393.09573	2.1
397.09137	8.1
399.08517	1.6
403.07898	6.9
405.09833	4.5
409.09177	21.7
415.08987	7.1
417.09732	3.9
421.08960	3.9
427.10229	23.0
433.09229	15.8
439.10336	0.9
445.10730	15.0
451.10266	7.2
463.10199	5.4
468.08002	3.7
468.58173	1.4
469.11316	12.1
474.18512	1.8
481.11240	21.7
492.17502	1.4
499.12332	51.6
508.16769	1.0
517.13391	100.0
518.13611	1.2
524.20404	4.7
525.13342	1.1
535.14526	8.7
555.14825	5.4
563.84088	0.9
573.16199	8.5
591.16895	4.8
615.17072	11.4
627.16510	1.5
631.23975	1.7
645.17743	9.9
649.24762	1.5
663.18622	11.6
663.28113	1.0
681.19238	7.3
694.00952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
53.48330	1.0
54.83780	1.0
55.01870	4.1
57.03439	8.4
61.02915	2.9
69.03418	1.2
70.06548	1.1
71.04988	39.7
71.62832	1.7
72.67414	1.2
73.02910	1.9
75.04462	1.9
81.03433	1.4
81.07056	1.5
83.04976	2.6
84.08131	2.2
85.02901	42.7
87.04474	1.4
87.45141	1.1
91.05495	1.2
93.07047	1.2
95.67743	1.1
97.02884	2.7
107.03703	1.2
107.04916	1.3
111.04410	1.7
116.98733	1.1
119.04942	4.4
121.02858	21.7
121.57937	1.2
122.06029	4.5
129.05493	5.6
132.05862	1.0
133.06543	1.4
137.05972	1.6
140.07042	4.9
144.46011	1.2
145.02847	2.7
146.06017	3.6
148.07564	1.6
162.09164	1.4
165.32698	1.1
172.03922	4.4
174.05441	1.4
180.10135	1.2
186.09116	2.1
188.09375	1.2
189.01849	2.2
191.03262	2.1
195.01291	1.2
195.02914	2.3
201.05611	1.2
203.03358	4.5
204.06512	7.3
206.08183	2.2
207.02861	4.5
208.09692	1.8
213.10196	1.4
214.08636	3.1
215.03375	3.0
215.08171	1.9
215.99944	1.6
217.04971	2.8
219.02913	2.4
221.04468	3.1
228.10301	1.7
229.04982	2.2
231.11469	1.6
233.04436	2.9
241.04909	1.9
241.09830	1.9
243.02888	1.3
245.04495	2.1
249.10243	1.7
255.11215	1.4
257.04437	1.4
257.09274	1.5
259.10782	23.8
267.06555	1.4
273.03998	1.6
273.12277	1.8
279.06607	2.9
279.11264	2.1
281.07861	2.1
283.06003	4.4
285.12317	1.5
287.10291	2.1
291.06436	2.4
292.07239	1.7
293.08087	1.8
294.05209	9.5
295.06009	33.7
295.09335	2.1
296.06757	1.9
297.07620	4.6
301.11847	20.3
303.04865	5.7
304.05304	1.4
305.08194	1.3
306.08643	1.4
307.05978	34.6
307.09427	2.1
308.06735	10.9
309.04025	2.2
309.07452	10.8
313.07028	4.2
313.11832	2.5
315.13525	1.2
317.07959	3.1
319.06085	4.1
319.09314	2.6
319.12833	32.1
320.06558	6.6
321.07553	32.8
322.08386	4.0
323.09290	4.5
325.07059	29.5
329.08032	2.3
331.06180	1.6
333.07590	17.3
334.08328	3.8
335.05496	2.3
335.09000	13.7
335.12460	2.0
336.06296	1.7
337.07062	35.0
337.13678	11.1
339.08881	2.0
343.08771	1.3
345.07471	9.0
345.14249	1.6
347.09122	6.2
349.07053	33.0
349.10770	1.5
350.07803	1.3
351.08624	16.0
355.08047	5.8
359.09088	4.9
361.06961	16.9
363.08615	16.6
367.08221	10.3
373.06918	10.6
375.08710	12.4
377.01849	3.1
377.10046	1.8
379.08109	51.9
380.99789	1.2
383.12354	5.1
385.08978	2.4
387.08603	6.2
389.10309	2.7
391.08072	41.7
393.09619	3.8
397.09055	11.0
399.08847	2.4
403.08099	9.0
405.09692	7.3
409.09174	27.4
415.07935	10.5
417.09509	4.4
421.09125	5.0
427.10278	28.7
433.09161	29.5
445.11160	31.6
451.10220	19.0
463.10144	11.4
469.11264	34.3
474.18900	1.8
481.11298	42.2
499.12332	70.8
517.13409	100.0
519.24170	2.0
524.20398	1.9
535.14459	81.1
555.14154	1.7
573.16278	2.6
591.16656	5.1
615.16541	1.8
645.17633	3.4
663.18073	7.0
681.19250	13.2
681.29138	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	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03948	1.7
55.01857	0.8
55.05252	0.7
55.05506	8.5
56.58720	0.4
57.03434	5.5
57.07065	2.5
59.30245	0.4
61.02921	21.4
65.03929	1.3
67.05499	49.1
68.05808	0.6
68.06393	0.5
69.03426	3.3
69.07063	9.4
69.24483	0.4
70.81647	1.4
71.05002	2.2
73.02540	0.8
73.02913	7.7
75.04481	1.2
79.05486	30.3
81.03407	1.8
81.07050	61.5
83.04945	1.2
83.08603	5.3
84.30141	0.5
85.02898	27.3
85.06512	2.3
85.49284	0.4
86.03267	0.5
87.04449	0.7
91.03951	23.9
91.05477	15.9
91.06063	0.7
93.07037	44.1
94.07349	0.6
95.04970	3.0
95.08599	62.7
96.08926	0.5
97.02882	13.7
97.06518	3.3
97.10172	3.6
99.04451	1.9
99.08081	2.9
101.02415	0.6
103.03944	0.7
105.07020	17.2
107.08585	35.5
109.02853	0.8
109.06505	1.5
109.10146	35.8
111.08091	2.8
111.11724	0.9
113.09608	1.1
115.03940	1.2
115.05484	0.6
117.07026	6.4
119.07927	0.5
119.08572	15.0
121.10136	31.3
123.08037	1.6
123.11696	13.0
125.09620	1.8
127.03913	9.8
127.11091	0.6
129.05527	0.6
130.07710	0.8
131.08551	15.9
133.10120	15.7
135.08124	0.5
135.11679	28.3
137.09592	2.3
137.13257	4.2
139.11160	3.2
145.04955	11.7
145.10112	18.5
147.11673	14.7
149.09618	1.0
149.13245	22.5
151.11140	3.8
151.14767	0.9
153.12740	1.3
159.11673	16.9
161.13272	5.2
163.06001	20.2
163.11148	1.1
163.14806	9.1
165.12766	3.5
167.14337	0.5
173.11742	0.6
173.13242	12.1
175.14799	1.4
177.12759	1.7
179.14302	0.8
187.14819	5.8
189.16373	0.8
191.14320	1.8
201.16357	2.2
205.15839	1.3
209.15378	0.6
219.17383	0.8
219.21051	3.4
227.16492	0.5
229.19492	43.4
230.19801	0.7
247.20551	100.0
248.20911	2.0
249.22221	2.5
263.19687	0.5
265.21616	6.1
279.81317	0.5
283.19342	0.7
285.22046	0.5
297.20547	0.9
303.23138	1.5
312.09546	0.5
321.24225	36.6
322.24673	0.6
325.10904	0.6
339.25272	65.8
340.25583	1.2
373.23633	0.7
393.46036	0.5
409.26086	0.5
429.27115	0.5
447.27542	0.6
456.98062	0.5
465.28381	1.1
483.29520	7.0
645.34082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10104	3.2
55.05497	9.0
56.25011	3.0
56.72389	2.9
57.03434	4.0
61.02912	18.9
67.05231	3.5
67.05503	41.0
69.07050	13.1
71.60802	3.1
73.02898	10.6
78.90808	3.5
79.05483	25.7
81.07059	45.3
83.08617	4.7
85.02905	32.2
91.03954	25.5
91.05477	18.9
93.07042	41.4
95.08598	44.4
97.02876	9.6
97.10129	3.4
98.22466	3.3
105.07034	16.9
107.08585	27.2
109.10165	31.0
113.09584	3.7
117.06996	6.5
119.08584	17.1
121.10130	32.6
123.11700	10.5
127.03884	12.8
131.08560	21.0
133.10123	13.9
135.11690	27.4
141.32059	3.4
145.04965	11.7
145.10112	17.0
147.11655	10.5
149.13245	20.7
151.11159	5.5
159.11700	17.2
161.13202	3.6
163.06012	21.4
163.14786	11.6
173.13304	14.3
187.14836	5.0
201.16647	3.3
205.15717	3.7
219.21094	5.3
229.19518	40.3
247.20551	100.0
256.26575	3.7
265.21765	4.8
321.24225	19.5
339.25320	61.4
484.62683	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	679.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53593	1.6
52.30189	1.6
53.03947	2.6
55.01850	1.6
55.05507	14.7
57.03427	7.6
57.07072	11.4
61.02924	18.0
67.05500	71.2
69.03419	2.9
69.07063	27.4
70.80302	5.0
71.08613	7.9
73.02898	4.2
79.05489	15.9
81.07053	85.9
83.05025	2.4
83.08616	20.0
85.02895	17.3
85.06561	2.7
85.10191	4.4
88.07629	2.5
91.03947	21.9
91.05471	14.3
93.07041	25.9
93.88602	1.6
95.08601	79.2
97.02868	10.7
97.06516	7.8
97.10170	14.8
99.08115	3.8
102.09161	3.1
105.07022	13.5
107.08588	19.5
109.10140	39.7
111.08102	4.0
111.11739	5.7
119.08568	11.9
121.10137	23.4
123.08039	2.3
123.11706	17.5
125.09609	2.4
127.03911	7.4
127.11185	2.7
131.08601	2.6
133.10149	14.1
135.11673	12.2
137.13257	9.0
139.56694	1.7
141.12775	4.0
145.04936	8.0
147.11674	11.0
149.02301	1.9
149.13234	11.3
151.14803	9.0
155.14325	2.0
161.13252	17.6
163.06044	14.5
163.14774	10.9
165.16400	9.4
167.14304	2.2
175.14835	10.7
177.16316	2.8
178.31395	1.7
179.14301	2.5
179.17891	8.5
180.01892	1.6
189.16409	5.9
193.04950	3.4
201.99492	1.5
203.67438	1.6
245.22644	68.7
256.26437	5.2
257.26797	2.7
263.23688	100.0
265.25159	2.2
337.27328	79.8
338.27573	2.5
339.77884	2.1
355.28427	14.3
356.29239	1.8
390.93491	2.0
499.32504	11.7
656.29596	1.8
678.54834	3.9
679.54938	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	678.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45889	0.3
55.01851	0.8
55.75052	0.4
57.03428	0.5
61.02918	1.6
67.05497	0.8
67.37589	0.4
68.99791	0.9
69.03436	1.9
69.27663	0.3
70.06295	2.2
73.02908	0.5
79.01849	2.3
80.29204	0.4
81.03417	3.9
85.02901	4.1
91.03944	1.5
93.03389	0.7
95.04969	0.7
97.02896	2.6
98.97581	0.6
107.01308	3.5
109.02879	10.6
111.04476	0.4
116.70512	0.4
118.42973	0.3
125.02329	5.9
127.03910	24.1
128.04272	0.4
135.00763	0.7
139.03891	68.1
139.51518	0.4
140.04292	0.8
143.03371	5.1
145.04951	1.3
152.01169	0.4
153.01819	100.0
154.02162	1.0
163.03896	0.6
163.06041	0.6
167.03391	94.5
168.03716	0.9
171.02873	81.5
172.03300	0.5
177.05450	0.8
180.08643	0.6
185.04414	1.3
189.03894	0.7
212.05388	1.1
315.07132	1.0
329.08636	0.5
337.05417	2.4
420.44623	0.4
421.78082	0.4
584.76843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92152	1.1
53.03938	5.0
55.01867	4.2
55.05507	21.8
57.03437	7.9
57.07068	3.2
65.03932	3.3
67.05500	56.9
67.34856	1.0
69.03444	1.2
69.07060	16.1
69.56271	1.4
69.56603	9.7
71.04992	3.0
77.03944	1.7
79.05489	40.2
81.03426	1.2
81.07051	60.3
83.04993	2.6
83.08618	8.7
84.17802	1.3
85.06555	2.5
91.05470	26.6
91.06000	1.8
93.07039	43.3
95.04971	7.7
95.08601	45.6
97.06532	2.3
97.10179	6.9
99.08086	1.3
103.05479	2.9
104.49374	1.1
105.07024	21.5
107.08591	23.8
109.06521	2.1
109.10157	19.7
109.53577	1.3
111.08067	1.8
115.05476	3.9
117.07008	11.9
119.08588	12.8
121.10144	16.6
123.04390	7.3
123.08096	1.9
123.11686	6.2
125.09638	3.5
128.06241	2.8
129.07005	7.7
131.04945	4.9
131.08551	12.3
133.10109	13.6
133.10912	1.1
135.11690	13.0
135.99214	1.0
137.09714	1.0
137.13252	2.2
141.06964	7.3
142.07724	1.5
143.04967	2.5
143.08603	4.3
144.05711	1.5
145.06488	5.3
145.10117	7.5
147.08047	1.7
147.11705	8.0
149.05981	4.7
149.13245	5.8
152.06212	5.7
153.06976	7.9
153.47392	1.3
154.07796	2.0
155.08519	10.4
157.06462	10.1
157.10106	3.7
159.11646	5.6
160.05293	1.4
161.05983	11.0
161.13248	6.9
163.07584	4.6
163.11172	1.4
163.14828	2.7
165.06958	12.6
166.07780	3.2
167.08556	25.5
169.06487	7.0
169.10150	4.3
171.08049	10.3
171.11722	2.4
172.05219	4.9
173.05965	32.5
173.13261	5.7
174.06714	1.3
175.07585	3.9
175.14882	2.5
178.07813	3.2
179.08537	6.2
181.06473	16.6
181.10127	6.3
182.07269	3.8
183.08063	16.0
185.06046	5.3
185.09654	4.7
185.13319	2.0
186.06818	2.6
187.07532	17.5
187.09160	1.5
187.14850	2.8
189.09195	2.3
189.16429	1.4
191.08636	3.4
193.06552	3.6
193.10194	4.1
194.07259	6.9
195.08043	100.0
196.08638	2.4
197.06021	4.5
197.09607	28.9
197.11311	1.9
198.06746	3.5
198.10023	1.6
199.07507	17.0
199.09065	1.2
199.11229	2.1
200.08363	2.1
201.09093	12.5
203.08699	2.4
205.10234	4.0
205.15839	1.3
206.07350	1.4
207.08017	11.3
207.11740	3.2
208.08818	3.1
209.09610	11.8
209.13216	2.3
211.07538	21.1
211.11125	3.0
212.08257	2.3
213.09103	48.3
214.09549	1.4
215.10745	5.0
217.10161	1.4
218.10899	1.7
219.08168	4.1
219.11752	3.8
220.08870	3.1
221.09622	18.2
221.13272	1.4
222.10425	3.1
223.07658	3.7
223.11169	8.6
223.14810	1.8
225.09177	5.4
227.10768	3.4
232.08838	1.7
233.09575	6.8
233.13405	1.4
234.10413	1.6
235.11176	9.0
237.09106	3.7
237.12811	2.6
238.09904	1.5
239.10696	3.9
241.12329	1.4
243.21199	3.4
245.09660	2.6
247.11185	6.4
248.12100	2.0
249.12697	2.9
251.10776	4.7
251.14435	3.5
253.12355	1.3
253.15840	2.7
256.14685	3.1
257.39279	1.4
259.11298	2.2
259.20566	5.5
261.12711	2.2
261.16446	2.0
261.22104	11.3
263.14322	2.6
265.12381	1.5
265.15717	1.2
266.13202	1.4
267.13947	2.2
269.15469	1.8
274.13467	1.4
275.14322	1.7
277.15869	6.9
279.14340	2.2
279.17407	12.1
279.23163	2.0
284.14182	4.0
287.23642	1.7
289.15839	8.1
291.17352	6.1
293.15741	1.5
293.18832	1.8
295.17078	4.8
297.18503	2.0
302.15356	1.5
303.17511	1.8
305.15494	2.0
307.16891	42.5
309.18420	7.1
319.17078	1.8
321.18600	2.5
323.16434	15.7
323.20035	1.8
324.16913	1.4
325.17972	45.5
326.18457	1.5
327.19876	1.6
333.18567	3.4
333.24356	5.0
335.16495	1.3
335.25769	32.6
336.26160	1.6
337.18082	4.3
337.27115	6.1
339.19489	2.2
339.86368	1.3
341.17667	4.4
343.19037	10.8
345.18552	3.9
347.20020	1.4
349.18002	1.8
351.19705	2.8
358.17905	1.5
359.19260	1.8
363.19482	6.8
365.21182	3.3
373.20340	1.6
375.28983	1.6
379.18997	2.2
381.20590	11.0
383.22485	3.3
397.20074	11.3
399.21661	20.3
401.24597	2.5
405.24045	1.5
415.21378	2.0
417.22726	2.2
441.08447	1.3
539.38519	1.3
546.26514	1.3
549.37402	2.2
567.38544	11.1
585.39307	11.0
603.40759	3.2
618.39166	2.3
623.40741	2.7
636.40546	2.3
641.42090	12.4
659.42926	30.6
660.43610	2.5
677.44141	47.5
678.44214	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	677.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03938	3.5
55.01868	4.2
55.05510	25.3
55.80896	1.0
57.03438	7.3
57.07069	4.7
65.03925	2.0
67.05501	61.9
69.03419	3.4
69.07069	15.8
71.04982	3.5
71.08626	4.8
74.68516	1.0
77.03943	1.3
79.05487	40.1
79.59571	1.0
81.03427	2.6
81.07056	56.8
83.04986	3.6
83.08617	9.5
83.30640	1.1
85.06564	2.1
85.10183	2.4
87.04459	2.2
89.06022	11.0
91.05475	28.9
93.07037	42.6
95.04985	7.1
95.08604	42.5
97.06538	3.4
97.10173	5.6
98.21528	2.5
99.08084	2.3
103.05503	2.8
105.07016	22.8
105.07675	2.0
107.04989	1.8
107.08584	23.9
109.06544	3.0
109.10140	19.5
109.95853	1.0
111.08072	2.5
115.05465	3.8
117.07013	11.4
119.05019	1.5
119.08576	16.2
121.06523	3.0
121.10136	20.9
123.04432	5.5
123.08064	2.3
123.11742	6.5
125.09635	2.8
128.06232	2.0
129.06998	5.4
130.08589	1.3
131.04958	2.6
131.08560	12.2
133.06531	1.3
133.08615	5.9
133.10117	12.6
135.08147	1.3
135.11653	13.9
137.05965	2.4
137.13252	2.4
141.06966	6.5
142.07826	1.1
143.04947	2.6
143.08578	5.7
145.06499	7.1
145.10126	9.8
147.04417	2.1
147.11670	9.1
149.05997	4.6
149.13278	7.5
152.06160	5.6
153.06995	9.6
154.07732	2.2
155.08553	10.9
157.06499	9.5
157.10149	2.8
159.08044	1.7
159.11703	8.6
160.05174	1.7
161.05931	10.0
161.13246	6.0
163.07552	4.9
163.11171	2.0
163.14876	2.7
165.06969	13.6
166.07755	3.3
167.08545	24.2
167.09805	1.5
168.05821	1.7
169.06468	6.1
169.10185	4.3
171.08029	7.0
171.11690	2.8
172.05220	2.5
173.05977	27.6
173.09613	1.4
173.13248	6.9
174.06662	1.1
175.07571	4.2
175.14876	3.2
177.06958	1.3
177.11259	2.0
177.16341	1.1
177.96930	1.2
178.07707	1.9
179.08574	9.9
181.06477	12.8
181.10152	4.3
182.07233	5.9
183.08023	18.1
183.11664	1.6
184.05254	1.6
185.05972	6.6
185.09601	5.4
185.13313	2.7
186.06790	2.7
187.07518	16.9
187.14825	1.8
188.08159	1.4
189.09131	2.5
189.16351	1.4
191.08598	4.4
193.06476	2.5
193.10162	5.7
194.07272	9.0
195.08046	100.0
196.08614	4.5
197.05977	3.2
197.09596	35.8
198.06786	5.4
198.09859	1.1
199.07553	16.7
199.11241	1.7
199.14787	2.0
200.08224	1.9
201.09068	9.5
203.08681	2.0
203.10628	1.3
204.09364	1.3
205.10135	4.1
205.96938	1.1
207.08046	12.1
207.11646	1.7
208.08615	2.3
209.09634	12.4
209.13339	1.6
210.06769	1.7
211.07509	22.8
211.11168	2.0
213.09085	49.1
214.09731	1.6
215.08755	2.0
215.10606	5.9
217.10162	2.7
219.08122	4.8
219.11678	2.1
220.08975	3.4
221.09608	17.1
221.13309	1.7
222.10341	2.1
223.07639	3.2
223.11186	7.9
225.09137	4.9
225.12848	1.8
227.10699	4.4
230.49481	1.4
231.08231	2.0
231.11787	1.7
232.08891	2.0
233.09636	6.2
234.10429	2.7
235.11163	9.6
237.09169	4.0
237.12801	2.8
237.16306	1.5
238.09883	2.1
239.10701	4.2
241.12173	1.6
241.19600	2.7
243.11723	1.7
243.21121	2.7
245.09683	2.7
246.10457	1.4
247.11230	5.0
249.12769	3.6
249.16479	2.6
250.13593	1.5
251.10648	4.7
251.14406	4.2
253.12210	2.4
253.15848	1.6
255.15791	1.2
256.14630	3.5
257.18933	1.3
259.11093	2.1
259.20471	5.6
261.12750	2.8
261.16452	1.6
261.22064	8.3
263.14349	2.7
265.16003	1.3
267.13803	1.5
273.12775	1.5
277.15909	8.7
277.21677	2.0
279.17502	10.3
279.23215	1.3
281.15674	1.7
284.14127	3.8
287.23822	1.6
289.15842	8.7
291.17612	6.7
291.23318	3.5
295.16904	5.7
297.18704	1.0
299.16577	2.4
299.23340	1.1
305.15366	2.1
307.16910	39.6
308.17319	1.5
309.18384	7.9
311.20468	1.5
315.16074	1.5
317.19153	1.3
317.24860	2.4
321.18546	3.0
323.16406	10.4
323.19693	1.3
324.16907	1.7
325.17978	35.9
331.17020	1.3
333.18680	3.1
333.24255	4.7
335.25781	36.5
337.18027	2.7
337.27429	3.2
339.15900	1.3
339.19534	1.8
340.16742	1.6
341.17404	3.0
343.19067	7.3
345.18616	3.2
347.20172	2.6
351.19574	2.8
358.17557	1.4
359.19254	2.2
361.21933	1.7
361.27222	2.2
363.19437	9.7
365.21271	3.7
373.20935	1.3
375.29083	1.9
377.21024	1.4
378.21729	1.4
379.18872	2.3
381.20587	11.3
383.22284	3.7
387.23080	1.6
397.20007	7.7
399.21680	21.2
401.24652	1.7
433.27231	1.6
461.30627	1.3
515.37677	2.4
535.31055	1.2
549.37305	2.3
567.38574	10.7
572.10297	1.3
585.39545	10.8
603.40167	3.8
618.39307	2.5
621.41595	2.0
623.40948	2.4
636.40479	3.7
641.42352	10.3
659.43011	25.7
660.43115	1.7
677.44067	38.9
678.44598	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77857	0.7
53.03938	3.1
55.01865	3.4
55.05507	27.1
57.03432	7.3
57.07064	3.1
65.03947	3.1
67.05499	69.0
68.05827	0.8
68.74373	0.7
69.03422	1.7
69.07061	17.4
70.88171	1.5
70.88519	1.3
71.04984	3.8
71.08627	1.7
71.75169	0.7
77.03947	1.1
79.05487	50.9
81.03427	2.0
81.07050	65.5
83.04980	3.6
83.08615	8.0
85.06539	2.1
91.05471	34.9
93.07037	52.2
95.04964	9.6
95.08596	48.5
97.06535	4.2
97.10161	5.6
99.08086	1.4
103.05443	2.1
105.04546	1.1
105.07020	21.5
107.08585	27.3
107.09279	1.6
109.06526	2.6
109.10142	16.9
110.58887	0.8
111.08082	1.8
115.05465	5.2
117.07005	12.8
119.08569	17.5
121.06526	1.3
121.10130	20.4
123.04415	6.8
123.08083	2.4
123.11703	6.5
125.09636	2.9
128.06241	3.4
129.07005	6.6
131.04947	2.9
131.08563	15.3
133.06462	1.6
133.10129	13.0
135.08122	1.2
135.11667	14.5
137.06030	1.5
137.09691	1.3
137.13239	1.8
141.06960	6.9
143.04922	2.9
143.08553	4.7
144.05701	1.8
145.06488	7.0
145.10091	9.9
147.04457	1.4
147.11665	10.1
149.06029	2.8
149.13239	7.2
151.11192	1.0
152.06186	6.7
153.06982	9.9
154.07756	1.8
154.68051	0.7
155.08551	11.5
157.06477	12.0
157.10126	2.4
158.07262	1.0
159.08081	1.7
159.11642	5.7
160.05215	2.6
161.05975	12.0
161.13249	7.1
163.07526	5.4
163.14850	3.0
165.06955	12.8
166.07745	3.7
167.08553	25.0
168.05769	1.2
169.06497	7.2
169.10123	5.4
170.07260	0.9
171.08054	9.4
171.11729	2.7
172.05174	4.0
173.05968	31.4
173.09586	1.3
173.13223	6.0
174.06721	3.2
175.07437	3.8
175.14839	3.2
178.07800	2.6
179.08527	9.5
180.09248	0.8
181.06451	18.9
181.10007	4.5
182.07249	5.4
183.08054	15.1
183.11603	1.5
184.05200	1.2
185.05974	6.2
185.09584	5.0
185.13322	2.0
186.06770	2.8
187.07529	16.8
187.14905	2.6
189.05466	1.8
189.09152	2.4
189.16408	1.0
191.08601	3.5
193.06476	3.8
193.10106	5.1
194.07227	7.1
195.08035	100.0
196.08702	3.4
197.06017	2.7
197.09605	32.3
197.13402	1.0
198.06757	5.1
198.10127	0.8
199.07509	17.5
199.11168	1.1
199.14905	0.9
200.08298	1.9
201.09081	8.7
201.16470	1.2
202.07819	1.1
203.08578	1.6
203.10672	1.3
204.09413	1.1
205.06531	1.1
205.10135	3.1
207.08023	9.9
207.11751	2.4
208.08902	1.5
209.09607	10.1
209.13283	1.0
211.07513	20.0
211.11201	2.8
212.08151	1.8
213.09085	47.3
214.09604	1.3
215.08769	1.4
215.10728	4.6
217.10207	1.5
219.08035	5.2
219.11755	2.4
220.08949	2.3
221.09573	14.4
221.13124	1.1
222.10318	3.0
223.07602	2.8
223.11139	9.9
223.14714	1.1
225.09106	5.0
225.12755	1.2
227.10660	4.7
232.08826	1.8
233.09589	7.6
233.13303	1.3
234.10411	2.9
235.07558	1.6
235.11125	7.5
235.14818	1.1
236.11922	1.4
237.09143	3.1
237.12761	2.9
237.16597	1.0
238.09880	1.1
239.10574	3.8
241.12178	1.8
243.11819	1.1
243.21185	2.2
245.09712	2.9
246.10347	1.3
247.11266	5.4
248.11954	2.5
249.09210	1.0
249.12816	2.3
249.16429	1.9
251.10669	3.5
251.14345	3.1
253.12238	1.9
253.15956	1.4
256.14621	3.9
259.11243	1.6
259.14996	1.0
259.20480	6.9
260.12070	0.9
261.12808	2.5
261.16394	1.1
261.22119	11.2
263.10803	0.8
263.14462	2.4
263.23752	1.2
264.11252	1.1
265.12274	1.6
265.16019	1.0
267.13867	1.5
269.15457	1.5
273.12601	1.2
273.22351	0.9
275.14203	1.2
277.15897	7.0
279.14340	1.2
279.17392	10.7
279.23352	1.6
281.15344	1.2
284.14020	4.0
285.15121	1.0
287.14191	1.6
287.23477	1.2
289.15869	10.0
291.17297	4.2
293.18903	1.2
295.16922	5.6
297.18604	2.8
299.16553	1.2
299.23785	1.7
301.25262	1.7
303.17566	0.9
305.15317	3.7
307.16907	46.8
308.17361	2.3
309.18387	6.9
317.18893	0.9
317.24765	2.5
319.16815	1.5
319.26489	0.9
321.15012	1.0
321.18643	2.3
323.16302	10.1
323.19543	1.2
325.17953	41.1
326.18549	1.0
327.19647	1.5
333.18484	3.5
333.24332	4.5
335.19891	2.0
335.25784	36.0
337.18100	3.1
337.27399	4.1
339.19781	1.1
340.16855	1.6
341.17682	2.8
343.19009	9.8
345.18588	2.0
347.20007	2.1
349.17941	1.2
351.19608	2.3
355.19086	1.1
358.17761	1.5
359.18741	2.2
363.19510	10.1
364.20038	1.2
365.21271	3.3
373.21136	1.1
375.28867	1.0
379.19040	1.8
381.20544	11.7
383.22440	3.3
388.27286	1.1
393.21127	1.1
397.20056	7.8
399.21652	20.0
401.24750	1.7
405.24457	1.2
415.20990	4.0
417.22906	1.5
479.29254	0.8
507.30096	0.9
515.37225	1.3
535.30597	1.2
539.38940	1.5
549.37201	1.5
557.40826	1.0
567.38373	9.0
585.39392	8.8
603.40228	1.9
618.39075	2.9
621.41467	1.3
623.40875	1.5
636.39777	2.2
641.41962	10.8
659.42975	29.3
660.43243	1.8
677.44073	39.8
678.44666	2.6
686.47028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
54.85930	0.6
55.01865	1.4
55.05509	10.7
55.92504	0.6
57.03437	4.4
57.07075	3.6
61.02923	24.2
64.48704	0.8
65.03921	2.0
67.05499	64.6
68.05838	1.3
69.03434	3.7
69.07062	11.1
69.41766	7.5
71.04974	3.1
71.08617	1.3
73.02913	8.9
75.04463	0.8
76.96603	0.7
77.03890	0.8
79.05487	42.7
81.03431	1.6
81.07051	76.4
82.07367	1.6
83.04967	1.2
83.08604	7.1
85.02899	29.2
85.06536	3.4
91.03951	27.4
91.05470	19.8
93.07037	50.4
94.07366	1.2
95.04956	3.7
95.08600	54.3
97.02881	11.3
97.06512	2.2
97.10167	4.0
98.20766	1.7
99.04424	1.4
99.08076	2.8
103.03909	1.4
103.05428	1.1
103.49724	0.7
105.06376	1.2
105.07026	17.8
107.08584	33.8
109.02866	0.9
109.06504	2.1
109.10146	33.9
111.08057	2.3
111.11765	1.1
113.09618	1.4
115.03906	1.5
115.05332	0.9
117.06998	8.4
119.08572	15.2
121.10138	34.6
123.08055	1.8
123.11699	15.6
125.09621	2.3
127.03915	9.5
127.11206	0.9
131.08560	19.1
133.10117	13.3
135.08072	0.9
135.11679	28.3
137.09605	1.6
137.13242	5.9
139.11150	1.9
145.04950	12.6
145.09015	1.3
145.10107	16.4
147.11679	10.5
149.09671	1.0
149.13252	20.8
151.11160	2.0
151.14816	2.4
153.12730	1.9
157.10098	0.9
159.11690	13.8
161.13245	11.7
163.06004	19.4
163.07373	1.3
163.11157	1.1
163.14819	16.6
165.12720	2.7
173.13248	17.6
175.14819	4.0
177.12717	2.0
177.16350	6.5
179.14316	2.3
187.14818	9.8
189.16396	1.0
191.14314	1.9
201.16386	4.4
205.15955	1.9
215.17993	1.5
219.17441	1.4
233.22606	3.4
243.21069	36.8
243.23615	1.9
244.21404	2.2
261.22125	100.0
262.22388	4.8
263.23691	2.4
279.23193	3.3
289.26471	0.8
304.29456	0.7
335.25781	19.1
336.26108	1.3
353.26819	35.1
354.27243	1.2
369.24219	1.4
405.26450	0.7
497.30933	2.5
521.58130	0.8
574.26135	0.8
658.98657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.8
56.78999	3.9
57.03436	6.9
57.07067	8.4
57.11790	3.5
61.02927	20.1
66.37365	4.2
67.05503	77.1
69.07060	15.8
70.06607	4.7
70.40752	13.4
71.04994	5.7
73.02914	11.4
75.25705	3.7
79.05489	44.2
80.24561	4.5
81.07056	85.6
83.02676	4.0
83.08611	9.3
85.02918	23.4
88.07633	9.0
91.03974	19.9
91.05479	23.3
93.07041	64.0
95.08612	69.9
97.02877	10.9
97.03603	3.8
102.09176	8.7
105.07028	20.4
107.08575	35.1
109.10152	35.8
117.07024	11.6
119.08559	15.7
121.10140	38.7
123.11713	13.5
127.03950	7.1
131.08554	27.8
133.10123	16.1
135.11681	28.1
137.13252	9.7
145.04959	12.8
145.10085	19.7
147.11710	16.7
149.02399	6.8
149.13271	18.5
151.11252	5.4
151.14784	4.2
159.11644	14.9
161.13306	11.6
163.06038	12.6
163.14816	10.7
173.13266	17.2
187.14830	9.0
193.04950	16.4
201.16431	4.3
205.15910	4.0
208.58141	4.6
243.21083	42.4
256.26376	31.9
261.19397	5.5
261.22147	100.0
335.25739	42.0
353.26849	44.5
389.28568	5.0
408.96155	5.1
497.31183	7.1
553.11053	6.1
677.36066	8.0
677.54480	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	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02856	0.2
64.93314	0.1
67.05478	0.2
69.07019	0.1
81.07010	0.3
91.05389	0.1
91.41898	0.1
95.08550	0.2
107.08510	0.2
148.51889	0.1
155.01820	0.2
173.02853	0.2
179.92940	0.1
185.04227	0.8
193.04912	0.2
203.05202	0.5
256.26270	0.3
259.07715	0.6
329.68478	0.2
333.24759	0.6
347.09500	1.2
353.26535	0.2
354.81140	0.1
365.10428	0.3
421.12949	0.4
515.31885	26.6
516.32324	0.5
529.71344	0.2
543.12238	0.1
594.22595	0.2
677.37091	100.0
678.37103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01856	1.3
55.05261	1.0
55.05507	14.2
57.03432	6.8
57.07078	3.8
57.07292	0.6
58.55009	0.6
61.02921	18.8
65.03935	2.7
67.05499	70.4
68.05807	0.7
69.03410	3.1
69.06718	0.8
69.07064	10.6
69.42696	6.1
69.43104	1.0
71.04973	2.8
71.08617	1.0
73.02909	6.7
73.69620	0.7
75.04449	1.3
79.05487	36.6
81.03407	1.7
81.07051	82.4
83.04966	1.6
83.08624	8.4
85.02895	19.1
85.06526	3.5
91.03950	18.6
91.05468	21.8
93.07035	53.7
94.07365	0.7
95.04978	3.6
95.08599	68.3
96.08912	0.9
97.02882	10.7
97.06522	2.9
97.10146	3.8
98.21424	1.6
99.04454	1.7
99.08064	2.3
105.07023	15.2
107.08586	35.9
109.02812	0.9
109.06494	1.7
109.10147	38.8
111.08053	2.5
113.09605	2.0
117.07011	8.7
119.08571	18.5
121.10132	34.0
121.11026	1.6
123.08029	1.9
123.11696	17.4
125.09618	2.0
127.03945	6.2
129.05424	0.7
129.07005	1.4
131.08560	20.5
133.10112	14.7
135.11682	28.5
135.91701	0.8
137.09598	2.5
137.13257	7.3
139.11174	1.5
141.12709	0.8
143.08577	1.0
145.04956	8.8
145.09032	1.1
145.10118	15.8
147.11673	13.0
149.09622	1.6
149.13246	22.7
150.13585	1.4
151.11151	2.2
151.14778	3.6
153.12753	2.4
159.11679	15.2
161.13239	11.1
163.06007	13.2
163.11238	1.4
163.14816	16.0
165.12683	2.5
173.13237	16.4
175.14841	4.9
177.12743	2.0
177.16362	5.5
179.14316	3.0
185.13226	0.9
185.72807	0.7
187.14830	9.7
191.14284	2.1
201.16371	3.2
205.15903	2.2
215.17958	1.1
219.17308	1.0
223.16940	0.9
233.22710	3.7
243.21062	36.9
244.21463	1.1
261.22125	100.0
262.22516	4.0
263.23706	1.0
277.21613	0.8
279.23190	6.0
317.24738	1.3
335.25790	31.8
336.26184	1.3
341.68152	0.8
345.77237	0.8
353.26834	43.4
354.27249	2.2
369.24188	0.9
378.54053	0.7
479.30212	1.1
492.19153	0.8
497.31052	7.3
498.31781	0.8
533.07489	0.8
659.88037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51532	0.4
53.67410	0.4
55.01853	1.0
55.05477	0.4
56.96552	2.8
57.03431	2.8
58.99864	0.4
61.02924	2.3
63.62917	0.3
69.03425	6.2
70.09035	1.8
71.04984	0.9
73.02919	5.2
74.36617	0.4
77.00877	0.4
81.03406	2.3
81.69701	0.4
82.99863	0.9
83.04965	0.5
84.96021	0.9
85.02420	0.8
85.02905	12.6
86.03220	0.5
87.04453	1.1
94.99870	0.9
97.02892	8.0
98.97581	11.1
99.04459	1.2
101.00845	1.8
101.02330	0.4
103.02401	0.7
109.02856	1.6
110.97588	1.5
112.99122	1.1
113.00868	0.9
115.02483	0.7
115.03933	0.8
116.98618	9.2
119.01917	8.7
120.97838	0.6
121.06534	0.4
127.02424	0.9
127.03909	5.2
128.98598	3.6
131.00201	3.5
131.01912	4.6
133.01617	0.4
133.03470	4.7
134.99655	5.6
135.03175	0.7
137.01895	1.1
137.02950	2.0
137.05986	1.4
139.02419	0.7
139.10748	0.4
141.03981	0.6
142.08644	2.2
143.00157	1.3
143.01892	7.2
144.01932	0.5
144.98111	0.4
145.00648	0.5
145.01686	0.9
145.03482	7.2
145.04843	3.2
146.05307	0.6
146.99637	3.8
147.01357	1.1
147.03214	0.6
147.04259	0.8
147.05168	0.5
149.01202	3.8
149.02910	1.7
151.04538	0.9
152.98625	0.4
153.00745	0.9
153.01863	0.5
154.01303	0.5
155.00154	0.5
155.00502	0.6
155.01880	9.7
155.03079	0.6
156.02682	1.3
157.01649	0.5
157.03484	6.6
158.01180	0.5
158.99667	6.1
159.03180	0.5
159.05034	2.6
161.01239	3.0
161.02948	12.0
162.03029	0.5
162.05612	0.4
162.99086	0.6
163.02731	1.7
163.04471	1.4
165.00694	0.8
166.01300	0.4
167.01860	3.1
167.07065	0.6
169.03433	1.6
169.04636	0.6
170.06030	0.6
170.99698	2.1
171.01028	0.5
171.05064	4.3
173.01263	3.3
173.02959	16.0
173.04507	0.7
174.02966	0.5
175.02821	1.7
175.04512	5.7
176.99142	0.5
177.00728	8.5
177.04089	0.6
177.05971	1.2
178.04915	4.5
178.55092	0.9
179.01915	2.0
181.03409	0.5
182.99643	0.7
183.05069	3.2
183.53238	0.4
184.04649	0.8
185.01331	0.6
185.02933	14.1
185.06549	1.1
186.04668	0.5
187.02783	1.3
187.04536	3.6
189.00723	3.5
189.02260	0.7
189.04430	0.7
189.06053	2.1
191.02235	3.9
191.03935	1.7
193.03719	1.4
195.01788	0.8
195.05121	1.1
196.02286	0.7
196.04520	0.4
197.01338	0.5
197.02951	10.3
197.06589	0.9
199.02803	0.6
199.04512	2.0
200.02518	0.4
201.00697	4.5
201.04437	0.5
201.06007	2.1
203.02261	0.8
203.03966	8.8
203.05699	0.8
205.03770	1.4
205.05550	0.9
207.01736	1.1
207.05234	1.0
208.04489	0.6
209.03215	0.9
210.03801	0.8
211.02744	0.6
211.04691	1.3
211.55679	0.6
213.00739	0.6
213.06108	1.1
215.02324	0.8
215.03995	4.6
215.07552	0.7
217.03754	0.9
217.05569	1.1
219.01759	12.1
219.05168	0.6
219.07124	4.7
221.03418	0.7
221.05057	18.4
222.05449	0.5
223.04721	2.1
225.04326	0.6
225.06282	0.8
227.04086	3.9
229.03650	0.6
229.05624	1.2
230.04779	0.5
231.01639	0.6
231.05194	0.3
231.07144	5.2
233.03291	1.5
233.05309	2.0
233.08885	1.0
234.05966	0.4
235.06633	0.6
237.02815	19.8
238.03299	0.7
241.05797	0.7
243.01822	1.3
244.06578	0.6
245.05067	100.0
246.05296	2.5
247.04694	1.4
247.07016	2.9
249.08255	0.6
250.07065	0.6
251.04250	1.6
251.08516	0.9
251.58881	1.0
255.03841	1.6
255.06973	2.0
257.05109	2.6
258.05859	5.4
259.06659	5.7
260.04611	0.6
261.02805	4.0
261.08191	1.5
263.06183	15.7
265.07935	0.5
266.06409	0.4
269.05209	0.8
271.06757	0.6
273.08221	4.1
275.06238	3.9
276.06348	0.7
277.04999	0.6
277.07687	2.1
279.03854	3.4
281.07309	0.7
285.08438	0.4
286.07651	1.9
286.84576	0.4
287.06030	2.0
289.06073	1.4
291.03824	0.9
291.09372	0.8
293.05377	2.1
298.08215	0.6
305.07333	3.9
305.10590	0.7
307.06973	5.8
307.10455	0.6
309.08508	0.5
311.06390	0.8
317.07184	1.9
318.11127	1.9
321.10324	36.0
322.10492	2.1
323.10208	2.8
329.07181	6.2
333.05350	0.5
333.10809	0.8
335.08145	6.6
337.07748	2.0
339.05399	0.5
339.11719	3.0
340.10129	3.0
341.10629	1.0
343.09625	1.2
347.08380	0.8
348.10544	0.6
348.60110	0.9
349.09146	1.4
349.60248	0.6
350.09296	0.7
350.60220	0.6
351.11508	4.6
352.11496	0.6
353.07315	9.5
354.10596	0.7
355.09375	1.6
355.59622	0.6
356.10361	0.8
357.10995	1.3
357.61026	0.5
358.07516	0.7
359.06628	0.5
361.09775	9.1
362.09647	0.9
363.10245	0.5
364.09659	2.5
364.60229	3.2
365.09259	11.0
365.60376	0.8
366.08859	0.6
367.09018	2.4
371.08527	1.9
372.11444	0.6
376.09109	0.5
377.07733	3.7
379.10858	30.4
380.10944	0.9
381.07111	0.6
381.11960	0.9
382.11990	0.5
383.09171	1.3
395.08737	2.5
397.11130	1.1
402.12137	0.9
407.10010	0.7
413.09430	0.7
425.11389	3.9
433.11792	1.9
437.11096	2.0
439.07712	0.5
441.09134	1.4
453.14105	1.7
455.11484	1.3
471.09595	0.6
479.11801	0.4
481.14182	0.5
485.15204	0.6
495.11569	1.1
497.12933	3.9
513.16925	0.8
515.13110	2.2
539.12665	0.7
543.17944	3.4
557.14935	3.6
659.22565	4.2
677.18121	9.5
678.18848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08211	4.7
53.03940	10.8
55.01861	7.7
55.05508	26.4
57.03432	35.9
61.02922	47.3
62.78864	4.1
67.05502	66.3
69.03432	39.7
69.07066	21.1
71.04996	26.7
71.60983	9.3
73.02914	21.4
79.05489	80.2
81.03419	49.6
81.07056	86.8
83.04971	14.7
83.08615	17.7
85.02901	68.2
87.04445	6.2
91.03953	21.4
91.05473	72.7
93.07045	87.6
95.04972	17.4
95.08599	63.6
97.02892	78.8
97.06526	11.0
98.21298	5.7
99.04450	12.1
99.08080	5.5
101.02386	12.2
103.03941	10.0
103.05466	5.5
104.47204	4.6
105.07026	60.6
107.04966	8.3
107.08585	70.5
109.02871	19.1
109.06514	12.4
109.10169	25.6
111.08064	7.7
113.09734	5.4
115.03896	7.1
117.06972	22.3
119.08594	49.5
121.10143	49.7
123.08052	12.1
123.11624	5.5
125.09539	5.4
127.03900	37.6
129.05507	6.8
129.07019	9.7
131.08549	37.2
133.10121	45.1
135.07962	5.4
135.11688	38.7
137.06017	4.6
137.09579	4.8
143.08574	14.6
145.04971	12.5
145.10110	28.5
147.11681	36.2
149.09644	8.0
149.13274	24.9
151.11205	7.7
157.10144	12.6
159.06567	5.3
159.11688	30.6
161.09621	7.4
161.13208	22.6
165.12827	6.0
171.11681	10.4
173.13301	16.2
175.11089	5.2
175.14824	10.7
177.12793	6.2
183.06479	6.0
185.13228	8.9
187.14832	16.2
191.14342	6.5
199.14867	8.8
201.07716	6.8
201.16399	9.3
205.15860	9.2
231.21071	5.2
241.19586	22.3
249.02884	4.9
259.20612	41.1
275.20148	6.9
277.21591	92.7
293.20953	5.9
295.22748	7.6
301.21591	7.5
333.24268	19.0
333.55002	4.8
351.25293	100.0
367.22647	7.7
369.26309	6.1
375.25305	5.0
421.25854	10.4
441.26218	6.5
459.27255	8.4
477.28268	15.2
495.29489	26.7
513.30609	16.1
575.16956	5.2
675.36853	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	675.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81842	0.7
67.05515	0.9
69.03411	0.9
71.60974	0.8
79.05505	1.6
81.03393	0.7
81.07058	0.9
82.29402	0.7
85.02888	1.1
95.14410	0.8
97.02863	1.5
107.08566	1.4
109.10179	1.3
116.51297	0.8
127.03909	0.9
133.10107	0.9
145.10175	0.7
147.04382	2.0
157.10208	0.8
159.11710	1.1
275.16647	0.7
289.34940	0.7
390.50885	0.9
441.19604	1.1
443.17380	1.5
444.18433	1.4
445.18658	1.6
457.14633	1.4
467.18378	1.0
469.15216	2.7
471.16412	3.7
472.17343	1.7
480.14627	1.1
481.14835	3.8
482.15942	2.6
483.16748	2.5
484.17529	1.4
485.18332	2.4
495.16684	7.4
496.17487	4.7
497.18170	10.2
498.19196	1.7
499.19641	1.5
511.19415	1.0
513.18091	1.7
515.19934	1.0
555.18695	10.2
556.19812	1.0
557.20599	1.2
573.22736	3.0
588.23889	0.8
617.22290	2.0
643.23883	5.0
644.24084	1.4
645.22363	2.3
660.24475	5.5
675.26575	100.0
676.26770	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	670.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.9
55.05508	23.3
57.03436	5.7
57.06817	1.3
57.07071	15.6
59.86892	0.9
61.02924	18.0
67.05502	12.4
67.36157	0.8
68.17501	0.7
69.03415	2.0
69.07063	38.5
71.04974	2.3
71.08628	13.1
71.59797	1.6
73.02903	7.0
75.04471	3.3
79.05482	6.3
81.03400	1.9
81.07053	16.0
83.08611	33.6
85.02422	1.2
85.02901	19.6
85.06540	0.9
85.10178	5.0
91.03953	18.5
91.05452	1.6
93.07031	9.3
95.04958	1.3
95.08595	12.8
97.02891	10.9
97.06532	6.3
97.10162	32.0
99.04425	1.2
99.08064	1.4
105.07072	1.0
107.08582	10.1
109.10150	5.9
111.08067	3.1
111.11711	9.5
115.03903	1.1
115.07568	1.3
115.11168	1.0
121.09309	1.4
121.10138	17.7
123.11702	6.5
125.09625	2.6
125.13258	4.0
127.03901	8.1
129.09134	1.7
135.11671	15.4
137.13277	4.4
139.11150	2.5
145.04961	9.3
149.13246	7.4
153.12694	3.0
157.12155	1.1
163.06012	16.7
163.11133	0.9
163.14822	3.9
167.14372	1.4
171.13770	0.8
177.16455	1.7
181.15857	1.7
185.15353	1.2
199.16887	1.0
213.77016	0.8
219.21065	20.8
222.49812	0.8
237.22116	36.8
237.24516	1.9
241.69722	0.9
255.23175	34.7
296.25842	1.9
301.14575	0.9
311.25781	100.0
312.26465	1.0
329.26828	51.2
335.17673	0.9
370.89200	1.1
473.31152	9.7
580.47406	0.9
652.39301	0.9
670.39758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01863	0.3
55.05506	4.6
57.03434	4.0
57.03698	0.4
57.07071	37.9
58.07402	0.4
61.02920	15.5
67.05496	10.5
69.03419	2.3
69.03696	0.2
69.07060	8.3
69.29661	0.2
69.95835	1.2
71.04985	0.6
71.08624	31.4
72.08961	0.3
73.02911	5.4
75.04478	2.0
75.40292	0.3
79.05487	1.1
79.79665	0.2
81.03427	1.4
81.07049	15.7
82.07423	0.3
83.04969	0.5
83.08214	0.1
83.08612	12.4
85.02896	18.5
85.06544	0.8
85.10174	19.0
86.03235	0.3
89.06033	1.0
91.03946	15.7
91.05467	0.7
93.07021	1.1
95.04966	0.9
95.08599	24.3
96.08946	0.5
97.02882	8.3
97.06500	0.4
97.10165	5.9
99.04428	1.1
99.08051	0.4
99.11742	1.4
103.07567	0.5
105.07028	0.4
107.08601	0.3
109.02867	0.6
109.10147	12.4
110.10485	0.3
110.51912	0.2
111.11700	1.3
113.13280	0.4
115.03926	0.9
117.05484	0.3
117.06999	0.3
117.09114	0.3
119.08562	0.3
121.10180	0.7
123.11697	4.9
125.13249	1.2
127.03902	6.0
127.04784	0.4
127.14803	0.3
131.08513	0.2
137.13248	2.1
139.14839	0.4
145.04955	8.4
146.05293	0.3
151.14815	1.0
153.79910	0.2
155.17987	0.3
163.06004	13.9
165.16388	0.7
204.08766	0.3
221.22554	1.1
239.23666	19.6
240.24068	0.4
257.24731	3.8
275.26022	0.3
289.09427	0.3
289.95102	0.3
298.27515	0.9
313.27332	100.0
314.27719	3.1
331.28391	50.8
332.28745	1.6
336.26114	0.3
396.00745	0.3
475.32608	0.7
636.39264	0.4
654.40649	0.3
672.41248	0.7
673.26324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
53.90986	2.5
55.01864	2.4
55.05503	15.0
57.03428	2.5
67.05501	21.9
69.03424	6.5
69.07066	14.8
69.37508	5.6
69.37914	18.8
71.05003	3.6
72.39033	2.2
79.05490	15.0
81.03409	6.7
81.07053	30.3
83.04982	11.9
83.08633	3.8
85.55670	2.1
91.05468	11.5
93.07041	28.2
95.04975	3.6
95.08601	50.0
97.02856	3.7
98.20686	4.2
99.04449	2.1
99.08069	5.7
99.91492	1.9
104.18092	1.8
105.07024	32.1
105.91805	2.2
107.08594	29.0
109.06487	2.3
109.10151	23.8
109.71078	2.0
111.04428	2.5
113.09665	3.4
117.07008	5.9
117.95035	2.4
119.08579	55.9
121.10121	17.4
123.08073	3.5
123.11681	6.2
131.08545	6.7
133.10121	62.8
135.11674	34.0
137.09610	44.0
143.08624	2.4
145.06514	2.1
145.10120	4.6
147.11681	8.3
149.13307	4.7
159.11588	4.5
162.47195	2.2
171.11726	2.9
173.13234	2.3
175.07501	2.2
175.14816	100.0
183.11815	2.5
193.15877	65.8
211.16870	11.9
246.38338	2.1
272.16803	2.5
275.20203	2.6
291.23355	2.6
301.17624	2.3
303.23349	2.4
369.24368	6.4
387.25256	8.2
405.26276	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	668.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.7
53.03941	2.4
55.01862	1.1
55.05509	14.5
57.03422	0.7
57.07060	2.4
65.03932	1.1
65.17531	0.7
66.10038	0.8
67.05498	23.8
69.03426	7.2
69.07063	13.2
71.04984	3.4
77.00509	0.8
79.05489	16.1
79.05947	0.9
81.03420	5.9
81.07053	27.7
83.04978	14.1
83.08600	4.4
85.02898	3.0
85.06521	1.5
87.04464	0.8
91.05470	15.8
91.06001	1.1
92.81563	0.7
93.07038	28.1
95.04947	4.9
95.08600	50.8
97.02880	2.4
97.06536	1.7
97.10162	1.3
99.04462	3.0
99.08094	4.5
105.07024	35.4
107.04974	1.3
107.08588	29.4
109.02828	1.0
109.06507	4.1
109.10146	19.8
111.04439	1.3
111.08070	1.1
113.09629	2.5
115.05457	0.8
117.07011	4.3
119.08573	57.0
121.06544	1.2
121.10133	16.5
123.04427	0.9
123.08087	3.2
123.11693	7.6
125.09622	1.6
128.06184	0.7
129.07007	2.3
131.08569	6.3
133.06485	1.3
133.10124	61.8
135.08083	0.8
135.11682	33.0
137.09607	48.3
139.11124	1.2
141.07001	1.4
143.08545	2.0
145.04977	1.1
145.10167	5.7
146.10907	0.8
147.11687	7.2
149.09599	1.2
149.13240	4.9
151.11160	1.1
155.08540	1.2
155.10660	3.2
157.10124	2.1
159.11618	4.0
161.09639	1.2
161.13284	1.7
163.14806	1.7
169.10130	1.9
171.11745	2.6
173.13281	4.2
175.14809	100.0
177.16391	1.1
181.10207	1.0
183.11714	1.8
185.13350	1.0
187.14758	1.2
193.15866	64.2
195.11674	1.4
196.71526	0.8
199.14867	1.1
202.31706	0.9
211.16859	8.4
261.22083	1.3
273.22092	1.1
277.21674	1.5
279.23291	0.9
291.23251	0.9
301.21637	1.1
303.23233	2.4
315.23328	1.5
341.24557	1.3
345.24274	1.0
351.23264	2.3
369.24280	5.3
387.25211	6.4
405.26395	5.9
423.27585	1.6
433.99994	0.8
440.15063	0.9
554.48993	1.0
597.40625	1.3
615.42346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07045	2.0
70.52435	2.5
88.16813	0.8
94.06548	1.5
101.07085	0.6
106.06526	1.5
110.06003	0.8
112.07570	1.0
122.06030	6.7
133.09515	0.7
136.07547	8.3
137.05963	0.8
138.05478	0.8
140.07062	9.2
146.05986	3.0
146.09637	1.7
147.06792	0.9
148.07538	3.3
152.07019	1.3
164.05672	1.5
164.07045	21.9
164.08394	1.6
166.08604	16.3
172.03888	2.6
174.05479	3.7
176.07039	4.5
190.04988	2.2
190.06613	0.8
192.06563	1.5
204.06529	4.9
206.08075	1.6
210.11481	0.8
211.12161	0.8
218.08139	1.2
223.08882	0.7
223.12227	1.7
224.13062	0.9
225.10275	1.1
225.13742	1.4
227.11702	1.1
235.08635	1.5
235.12309	2.0
236.12964	1.7
237.10179	5.6
237.13860	2.4
238.11011	3.0
239.11790	6.2
246.07629	0.8
248.09459	2.2
249.10181	4.3
250.11017	3.9
251.11774	9.0
252.12512	1.7
253.13393	2.9
261.12274	1.6
263.11758	19.3
264.08792	0.8
264.12430	3.2
265.09729	8.0
265.13306	28.7
266.10544	1.1
266.13928	2.5
267.11169	2.5
268.11963	1.0
269.12848	1.5
271.10788	0.8
271.14160	1.0
276.08716	0.9
277.09698	6.3
277.12314	1.0
278.10477	2.5
279.11230	37.3
280.11975	2.9
281.12680	1.8
282.13681	1.5
283.10657	1.1
283.14389	2.0
285.12466	1.6
287.13873	4.5
291.11215	8.8
292.11938	2.0
293.12851	6.6
295.10721	9.2
296.11618	1.7
297.12265	19.5
298.12982	2.7
303.13281	0.9
305.14935	1.2
309.12299	48.2
310.13046	18.5
311.13870	22.4
312.14603	4.4
313.11761	3.6
313.15469	2.5
315.13251	1.3
319.10599	7.7
321.12292	3.1
323.10391	0.9
323.16241	1.6
325.11731	1.6
337.11768	100.0
337.63580	0.8
338.12512	28.8
339.13348	18.5
339.25763	0.9
343.12827	0.9
345.14804	1.0
357.14383	1.1
369.14377	25.2
370.15164	4.3
371.15961	10.2
373.13657	1.1
400.16452	1.8
401.13434	3.3
416.15985	1.3
417.16888	1.3
434.16501	1.7
450.20145	1.6
452.21753	31.4
458.16983	2.7
476.17941	2.8
478.19681	39.7
484.68103	0.8
494.19275	3.9
496.20706	9.2
509.21387	0.8
510.22299	62.2
511.22864	2.2
575.24768	1.7
591.28021	0.9
599.24884	6.7
617.25568	8.0
635.26984	29.5
636.27496	1.3
649.27905	1.5
667.29797	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21678	1.3
69.77120	3.0
69.77531	6.4
79.05441	1.2
81.07057	1.9
82.18740	1.4
85.02910	1.4
90.04318	1.6
93.59108	1.2
94.06553	4.1
95.08578	2.7
96.17526	1.4
98.21589	1.4
106.06570	2.2
122.06029	9.0
126.70203	1.7
136.07581	16.5
136.08563	2.2
138.05452	1.8
140.07042	12.3
142.39235	1.3
146.05986	4.4
146.09608	3.0
148.07553	5.9
149.65109	1.4
152.07063	1.8
164.07054	30.6
166.08607	22.7
172.03902	2.3
174.05472	5.1
176.07092	9.3
179.13899	1.6
190.04976	2.1
202.07413	1.6
204.06541	5.1
208.09698	2.2
210.11523	2.7
211.12241	1.8
223.12277	3.2
224.13121	1.5
225.10312	1.8
227.11694	1.6
229.14365	1.5
235.12253	3.4
237.10120	7.2
237.13811	2.8
238.10983	6.4
239.09641	1.3
239.11711	8.5
248.09398	2.0
249.10202	7.8
250.10983	6.3
251.11748	15.0
252.12584	2.1
253.13371	5.6
261.12460	1.6
262.11087	1.7
263.11765	18.4
264.09079	2.1
264.12488	5.9
265.09778	6.9
265.13321	41.4
266.10306	1.8
266.14200	2.2
267.11353	2.5
269.12814	2.5
271.14447	2.2
277.09708	7.0
277.13177	2.4
278.10281	2.9
279.11273	64.7
280.11948	4.1
282.13818	2.0
283.10867	1.9
283.14240	2.7
287.13873	6.6
291.11240	9.0
292.11993	2.9
293.12698	7.7
295.10849	8.1
295.13943	2.2
296.11285	2.4
297.12326	26.3
298.13110	3.0
309.12308	53.9
310.13135	20.0
311.13855	34.2
312.14499	5.9
313.11899	4.2
313.15320	2.8
319.10736	8.7
321.12393	4.5
323.16092	2.3
325.11746	2.1
331.13089	2.0
337.11804	100.0
338.12549	31.1
339.13342	28.8
369.14413	21.0
370.15021	6.1
371.15955	9.9
398.14871	2.2
399.15875	2.8
400.16281	2.7
401.13364	5.9
434.16718	1.9
450.20316	2.1
452.21802	63.4
453.22095	1.9
458.17200	2.9
476.17950	4.6
478.19662	47.7
494.19101	7.5
496.20905	11.4
510.22296	67.3
511.22363	2.9
520.24750	1.7
540.78253	2.1
542.36639	1.6
575.25018	3.9
599.25366	8.7
617.25916	11.0
635.17206	2.7
635.27106	42.3
667.29572	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	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.8
68.04997	0.6
69.07063	3.3
70.19190	2.2
71.04961	1.4
80.05002	0.6
81.07525	0.4
84.08112	0.8
84.76285	0.5
85.02860	1.5
91.05419	0.6
94.06567	4.6
95.04921	1.8
97.06522	0.4
98.21411	0.7
106.06524	0.4
108.08091	1.3
111.21345	0.4
112.07584	1.2
112.58260	0.4
119.04920	0.7
120.08067	0.6
122.05151	1.0
122.06019	17.1
124.07603	0.5
134.06006	0.8
140.07053	30.2
144.04370	1.6
146.06000	9.3
147.06767	0.9
148.07550	1.5
152.07033	1.4
153.01779	2.1
154.08629	0.5
160.07596	0.7
162.05490	1.6
163.06229	0.4
172.02505	0.9
172.03917	14.3
173.04677	1.5
174.05498	15.1
174.09064	0.4
175.06276	0.9
176.07060	8.3
187.12265	0.6
188.07034	1.3
190.04970	3.4
191.05789	2.5
192.06512	2.1
197.07060	0.8
197.10748	0.9
198.09325	0.6
199.08661	1.0
200.09312	0.7
204.06551	27.7
205.06938	0.5
206.06277	0.8
206.08127	9.5
210.11508	0.5
211.08682	1.4
211.12112	0.5
212.09338	0.5
213.10205	2.0
215.11758	2.5
216.10149	0.6
224.09427	0.6
225.10278	2.6
226.08589	1.1
226.10876	0.7
227.08113	0.8
227.11783	1.0
229.09773	0.7
237.10260	1.1
238.10945	0.8
239.11737	1.7
240.12639	0.5
241.09702	1.9
243.11282	11.5
244.59537	0.5
249.10204	0.8
251.11816	1.2
253.09668	1.2
255.11342	1.1
256.12048	0.8
257.09171	0.9
257.12726	0.8
259.10825	0.8
261.12350	1.2
263.08078	1.0
263.11786	1.7
264.08859	0.8
265.09665	1.5
266.10602	1.1
267.11160	1.1
269.09207	1.8
271.06003	61.7
271.10767	1.8
272.06396	3.8
272.11462	0.5
273.12286	1.0
277.09818	1.2
279.11252	1.9
280.12094	0.7
281.12827	0.7
283.10782	4.9
284.11453	1.6
285.09259	0.6
285.12323	13.3
287.10312	2.6
287.13837	2.3
291.11072	0.7
295.10696	1.1
297.12262	0.7
298.13293	0.9
299.10385	2.7
299.13571	0.7
300.11276	1.0
301.12006	2.1
302.12918	1.0
303.13364	33.6
304.14035	1.4
309.12265	1.1
313.11786	26.8
314.12744	1.0
314.16492	0.7
315.13684	0.7
316.10852	1.1
316.14410	1.6
317.15201	0.7
318.12695	0.7
318.15973	3.1
319.16791	1.9
323.10287	1.1
323.13803	1.1
325.11935	1.0
327.13794	0.7
329.11688	1.0
330.12292	2.8
330.15857	0.8
331.12973	9.1
331.16739	1.0
332.13770	1.0
332.17548	0.7
336.10959	0.7
337.11768	0.8
340.14484	0.7
343.13455	0.9
344.14066	2.5
345.14490	20.6
346.15549	3.5
347.16336	3.0
356.09924	0.6
356.14001	1.4
358.11646	1.0
358.15479	2.4
359.12463	0.6
360.17047	3.5
362.15021	0.6
363.15579	2.5
368.13672	1.3
369.14828	0.7
370.11734	1.3
370.15817	1.2
371.12784	1.6
372.13260	4.6
372.17084	0.7
373.14063	3.2
374.14828	4.1
374.18970	0.7
378.18124	0.8
384.13150	0.6
384.17499	0.8
385.14099	1.4
386.14893	7.8
387.15698	6.9
388.16629	5.3
390.18332	0.8
396.13300	1.0
398.15179	1.1
400.12488	0.7
400.17087	0.9
401.17795	0.6
402.13696	2.2
402.18323	1.5
404.16232	3.2
405.16901	2.7
406.17719	4.7
407.17853	1.0
410.15332	0.8
414.14420	6.2
415.15271	13.8
416.16016	18.7
417.16254	0.8
418.17657	1.6
419.18466	1.0
428.16077	1.0
429.16693	1.2
430.17691	3.7
432.15524	2.1
433.16174	4.2
434.16907	3.6
446.17068	5.7
447.17865	2.3
456.15308	4.9
457.16107	1.7
458.16861	0.8
460.15128	1.5
474.16595	19.5
475.17325	7.0
476.18201	4.3
506.19168	4.3
507.19836	2.1
508.20804	1.3
510.22241	0.8
571.25800	1.1
573.23212	1.8
597.23242	4.4
615.24438	100.0
616.24896	3.8
647.27155	6.7
665.16223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01858	1.9
55.05302	1.3
55.05513	13.1
57.03431	14.8
57.07080	6.6
61.02923	58.1
67.05225	1.2
67.05505	14.6
69.03424	23.5
69.07058	19.1
70.81423	3.2
71.01340	1.9
71.04987	3.7
71.08623	4.9
71.25670	1.5
73.02911	23.7
75.40894	1.1
79.05492	7.6
81.03416	19.8
81.07050	17.5
83.01342	1.8
83.04982	3.1
83.08611	15.9
85.02901	74.7
85.10152	2.1
87.04464	3.0
91.03944	41.6
91.05477	2.9
93.07032	10.0
95.04966	2.2
95.08595	20.0
97.02885	59.6
97.06509	3.6
97.10165	9.5
99.04445	11.0
101.02411	6.7
103.03916	9.5
105.07011	2.3
107.08570	5.0
109.02862	10.4
109.06499	1.7
109.10165	9.3
111.04370	2.0
111.08077	1.9
111.11726	3.2
115.03938	6.5
117.05487	2.9
121.10146	13.1
123.11701	3.7
127.03908	27.9
129.05409	6.2
135.11732	7.0
137.06023	1.4
139.11172	1.7
145.04948	19.4
149.13226	2.6
151.14845	1.5
159.06476	2.1
163.05992	6.9
163.14877	2.3
171.06561	2.5
175.14778	1.7
183.06520	12.2
191.17918	1.5
201.07552	9.8
219.08470	1.7
247.24265	7.1
265.22668	2.0
265.25269	25.9
283.26489	2.2
331.26532	1.5
337.27283	2.1
339.28915	100.0
340.29089	3.4
349.27292	1.7
357.30164	1.7
367.28387	3.4
373.27274	4.2
381.29929	4.8
391.28488	1.6
409.29547	2.6
423.30869	3.7
447.31149	7.6
465.32068	6.2
483.33105	15.9
501.34146	2.6
618.02045	1.4
663.39832	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79666	1.4
52.66063	1.3
62.53633	1.6
69.07060	6.6
69.76050	9.9
85.02884	2.1
89.93109	1.3
90.01107	1.4
94.06539	4.1
98.20802	2.2
104.71522	1.2
108.08093	2.9
115.47494	1.6
122.06024	21.6
134.05975	1.4
136.99988	1.6
140.05954	1.6
140.07051	32.5
146.05968	10.3
147.06723	1.3
148.07538	3.3
152.07043	2.0
153.58469	1.2
162.05458	2.9
164.07112	2.9
172.03893	18.3
173.04723	1.6
174.05493	16.9
176.07062	10.7
176.46669	1.5
188.10577	1.7
189.10248	1.4
190.04956	3.6
191.05710	2.7
192.06453	2.1
204.06558	37.5
206.08141	12.6
211.08577	2.7
213.10347	2.7
215.11716	3.5
222.11401	1.6
224.09300	1.6
225.10078	1.7
225.35182	1.5
235.12222	1.6
237.10176	3.3
239.11726	2.4
241.09711	2.5
243.11322	11.8
248.09460	7.6
249.10216	17.8
250.10910	4.7
251.11787	4.9
253.89970	1.3
261.10080	3.2
262.10947	5.7
263.11783	96.5
264.08835	1.5
264.12445	8.7
265.09799	5.1
265.13281	7.9
271.05981	6.2
277.09689	19.1
279.11203	27.7
280.11801	4.0
281.08362	1.9
281.12729	3.8
283.10751	4.8
284.11566	2.3
285.12332	16.1
287.10226	5.1
287.13873	2.9
290.10516	5.1
291.11252	38.4
292.12057	8.3
293.12738	3.2
295.10764	20.6
296.11542	2.0
297.12238	2.1
299.10226	3.4
301.12122	2.6
303.07587	3.4
303.13351	33.1
304.14151	2.5
307.10849	6.8
308.11404	4.0
309.12314	41.1
310.12918	6.0
311.13879	5.4
313.11823	25.4
314.16592	2.7
316.14426	1.6
318.09991	6.3
318.16110	2.1
323.10538	3.4
323.13861	67.1
324.14557	3.8
325.11923	2.2
327.13641	2.9
331.12921	13.1
335.10190	2.9
336.11029	55.5
337.11798	19.4
338.12488	3.8
344.13702	3.5
345.14468	25.3
346.15463	3.8
347.16257	3.5
353.11505	2.3
354.12265	4.1
355.13010	7.0
356.13681	3.6
358.15677	3.1
360.16928	5.2
363.15488	4.2
367.12851	32.3
368.13657	51.8
369.14423	56.7
370.15292	20.3
371.12375	1.9
372.13382	5.7
373.14008	3.2
374.14926	5.2
386.14941	6.1
387.15915	7.7
388.16412	6.2
402.14053	1.8
404.16147	2.0
405.16833	2.7
406.17392	4.9
414.14478	8.7
415.15302	17.8
416.16028	21.8
418.17584	1.7
428.15976	2.8
429.16702	2.2
430.17526	6.0
432.15482	4.0
433.16183	4.6
434.16852	5.2
446.17050	8.5
447.17606	3.1
456.15286	5.3
457.16647	2.6
474.16534	23.0
475.17212	10.7
476.18018	8.1
478.19611	20.0
489.18823	5.1
493.18314	5.6
494.19247	7.2
506.19025	5.5
508.20770	99.6
509.21051	4.6
510.22363	60.5
511.22446	2.8
524.20209	2.2
526.21741	5.9
573.23279	3.1
597.23212	5.4
615.24451	100.0
616.24622	5.1
629.25482	4.3
633.25342	8.3
647.26764	8.6
665.26801	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	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01871	4.2
55.05252	1.0
55.05510	13.7
57.03435	23.6
57.07074	4.0
59.04982	0.8
59.89770	0.5
61.02924	78.5
65.03937	2.1
67.05502	41.0
69.03428	34.1
69.07066	16.8
70.45682	0.9
70.46029	2.0
71.01343	3.5
71.04994	4.9
71.08619	0.9
71.84238	0.5
73.02914	28.1
73.06495	0.5
75.04492	1.9
76.57285	0.5
79.05489	13.2
81.03416	23.9
81.07053	43.5
81.13960	0.5
83.01344	1.5
83.04981	5.3
83.08619	10.4
85.02901	100.0
85.06537	1.7
85.10192	1.0
86.03210	0.6
87.04472	4.0
91.03951	58.7
91.05475	10.4
93.05476	0.7
93.07043	15.1
93.69428	0.5
95.04965	3.2
95.08601	37.5
97.02888	76.9
97.06532	3.2
97.10159	6.5
99.00802	0.6
99.04453	11.1
99.08097	2.2
101.02374	8.8
103.03943	8.7
105.07030	7.9
107.04962	1.1
107.08588	9.1
109.02873	13.7
109.06519	1.4
109.10152	16.6
111.04458	3.5
111.08085	2.1
111.11723	1.8
113.09619	1.3
113.26859	0.5
113.27677	0.6
115.03909	7.0
117.05521	3.2
117.07030	1.6
119.04961	0.7
119.08566	7.5
121.10146	11.5
123.04391	0.8
123.08072	0.7
123.11713	8.5
125.09621	1.3
125.13295	0.9
127.03909	36.5
127.11250	0.7
129.05472	6.2
131.08566	2.2
133.10126	6.6
135.11693	5.4
137.05963	0.9
137.09665	1.2
137.13263	3.3
139.03932	0.6
141.05461	1.0
141.12669	0.7
143.08540	0.8
145.04951	24.7
145.10118	2.0
147.06522	1.5
147.08009	0.6
147.11688	5.0
149.09685	0.7
149.13257	4.4
151.11203	1.6
151.14793	1.4
153.12802	0.7
155.07018	1.1
157.10120	1.0
159.06552	3.2
159.07782	0.7
159.11705	1.0
161.13234	4.8
163.06015	7.4
163.14792	3.9
165.12836	1.1
165.16383	1.6
167.14337	1.0
171.06570	3.0
171.07808	0.6
171.11694	0.8
173.13261	1.4
175.14844	4.4
177.12685	0.7
177.16399	1.2
179.14369	1.2
179.17952	1.1
183.06534	11.7
183.08043	1.0
185.13205	1.1
187.11252	0.6
187.14883	1.3
189.16400	2.1
195.11739	0.8
199.05859	0.7
199.14795	0.6
201.07590	10.0
205.15977	0.8
219.08633	1.4
227.14343	0.7
243.20908	1.3
245.22676	10.2
245.25020	0.5
247.13261	0.7
261.22192	2.3
263.23694	20.7
273.22086	0.7
275.23618	0.8
277.25024	0.8
287.23560	1.3
293.24854	0.6
301.25168	0.9
303.23068	1.7
305.24783	3.8
317.24738	1.8
319.26328	1.5
321.27951	0.8
325.25226	0.8
329.24713	2.1
333.24246	0.9
335.26022	1.6
337.27359	92.3
338.27719	2.6
343.26190	1.9
347.25711	2.1
353.24496	2.9
365.26761	4.3
371.25772	6.1
379.28522	3.3
384.62604	0.6
389.26920	1.9
391.28363	0.7
407.27737	2.2
421.29550	2.1
445.29358	6.5
463.30576	5.6
481.31647	13.9
499.32819	3.5
661.37695	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	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05511	3.8
57.03433	4.7
57.07055	0.8
61.02911	2.3
67.05174	1.4
67.05502	22.3
69.03408	1.0
69.07068	6.1
71.04961	2.4
71.19241	1.6
73.02910	0.8
79.05489	12.8
81.03418	1.0
81.06572	1.6
81.07049	30.8
83.04966	2.3
83.08620	6.1
85.02889	1.8
85.06528	2.2
91.05476	9.8
93.07032	21.5
95.04948	2.2
95.08593	9.4
97.02843	1.3
97.06512	4.7
97.10167	1.3
99.08092	0.9
105.07011	4.5
107.08591	14.0
109.06492	0.8
109.10128	2.1
111.08080	2.9
115.05446	0.7
117.06993	4.4
119.08564	2.8
121.10130	6.4
123.11703	2.3
125.09665	0.7
129.06987	1.6
131.08522	6.3
131.09262	0.7
133.10117	6.8
135.08038	1.6
135.11708	4.1
143.08545	1.4
145.10112	1.6
147.11684	1.2
149.09563	0.9
149.13249	11.2
155.08524	0.9
157.10106	1.6
159.11697	6.0
177.12743	2.5
195.13741	5.4
199.85254	0.7
213.14861	1.2
251.16324	1.3
269.17453	21.9
282.76315	0.8
293.82474	0.8
353.24860	2.0
371.25784	1.5
389.26807	1.3
427.28043	1.1
445.29477	11.4
456.36847	0.8
463.30515	100.0
464.31342	3.4
507.11371	1.0
607.34705	2.7
680.26874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01858	2.7
55.05507	16.2
56.51295	0.5
57.03424	4.0
57.07062	2.1
59.04986	0.9
62.69289	0.6
65.03934	1.9
67.05498	35.3
69.03416	1.3
69.07058	10.3
71.04982	2.3
73.41614	0.5
77.03946	0.7
79.05483	25.6
81.03396	0.8
81.07047	37.0
83.04965	1.8
83.08607	7.5
85.06517	1.2
91.04887	0.7
91.05470	24.4
93.07033	30.6
95.04969	4.2
95.08596	25.5
95.09216	0.7
97.06522	1.7
97.10152	4.6
97.10651	0.5
98.21487	1.6
99.08080	1.1
103.05407	0.8
105.07015	25.1
107.08579	16.8
109.06491	1.5
109.10133	10.7
112.72353	0.6
115.05442	1.7
117.06999	8.8
119.08569	18.4
119.46475	0.7
121.06538	0.7
121.10139	14.0
123.08054	1.5
123.11727	3.5
125.09633	2.5
128.06233	2.3
129.06990	5.6
131.08562	12.8
133.10115	17.2
133.10916	0.6
134.10403	0.6
135.08018	0.8
135.11676	9.2
137.13245	0.7
141.06996	3.4
142.07722	0.7
143.08546	5.6
145.06522	1.8
145.10103	10.4
145.11130	1.0
147.11670	14.7
149.09592	0.9
149.13245	4.4
152.06235	1.8
153.06998	3.5
154.07727	1.9
154.69809	0.6
155.08585	5.2
157.06468	16.8
157.07730	1.0
157.10120	3.7
158.07307	0.7
159.11697	10.0
161.13237	7.7
163.14812	2.0
165.06992	6.2
166.07787	1.7
167.08545	10.2
168.05728	0.9
169.06461	7.9
169.10095	3.0
170.07220	1.2
171.08020	11.3
171.11650	5.1
172.05206	2.2
173.06035	2.2
173.13257	4.4
175.14775	3.5
178.07805	1.9
179.08540	9.3
180.09265	1.2
181.06480	10.4
181.10063	4.5
182.07265	4.6
183.08035	19.3
183.11722	2.1
185.06110	0.9
185.09598	7.0
185.13196	4.4
186.06616	1.0
187.14854	2.2
189.16385	1.1
191.08525	3.2
192.09360	1.1
193.06488	1.2
193.10098	5.1
194.07288	4.6
195.08029	51.3
196.08769	3.4
197.09601	45.6
198.06732	0.7
199.07520	1.5
199.11200	2.7
199.14833	2.2
201.16483	0.8
203.08585	2.2
204.09343	0.8
205.06549	0.8
205.10075	5.4
206.07254	1.2
206.10757	1.0
207.08025	21.4
207.11519	3.6
208.08836	4.0
209.09581	15.5
209.13217	1.3
210.10313	0.8
211.07614	1.5
211.11133	4.1
211.14716	0.8
213.09111	5.9
213.16423	0.8
215.08624	2.1
216.09297	1.3
217.10101	4.5
217.16087	0.8
218.07303	0.9
218.10947	0.8
219.08055	6.9
219.11713	2.5
220.08786	3.8
221.09595	17.9
221.13286	1.7
222.10387	2.8
223.07748	0.9
223.11180	9.9
225.08899	0.8
225.12714	1.2
229.10129	2.1
230.11110	1.4
231.08096	1.6
231.11716	1.9
231.21036	1.3
232.08775	3.0
233.09590	11.1
233.13258	1.9
234.10370	4.0
235.11125	13.4
236.11873	1.7
237.09190	0.8
237.12744	4.5
237.16394	0.8
239.18004	0.8
240.14992	0.9
241.10237	1.0
241.19679	4.5
243.11806	1.4
245.09615	4.7
245.13327	1.0
246.10490	1.9
247.11183	9.4
247.13811	0.9
247.14835	1.3
248.11967	3.4
249.12730	6.9
250.13603	1.8
251.10742	1.2
251.14359	3.5
253.15802	2.9
255.11676	1.1
256.14554	1.8
257.09506	1.0
257.13306	1.4
257.19061	1.7
258.10419	0.9
259.11188	4.4
259.20547	18.7
260.11975	2.6
261.12784	6.2
261.16449	0.8
261.22168	2.2
262.13547	1.4
263.14267	3.6
263.18011	0.9
265.15979	1.5
271.11087	1.0
271.14755	0.9
273.12787	3.7
273.16394	1.7
274.13528	1.6
275.14304	2.8
275.20291	0.8
276.15179	1.8
277.15790	2.9
277.21689	2.4
278.16605	1.1
279.17371	10.1
281.15381	0.9
283.16943	0.9
284.14047	1.8
285.12646	1.4
285.22092	1.0
287.14355	3.1
288.14948	0.9
289.15842	6.5
290.16583	0.9
291.17404	19.1
291.22809	0.9
292.17865	0.7
293.15259	0.6
293.18958	1.8
295.17123	0.7
297.22055	1.0
299.23679	4.2
301.15866	1.2
303.17526	2.6
305.15381	2.3
305.19058	1.8
307.16858	16.1
307.20187	1.2
309.18546	11.9
313.15652	0.8
314.16473	0.8
315.17331	1.4
315.23349	1.2
316.18130	0.8
317.19104	3.0
317.24683	2.3
318.19492	0.8
319.16937	5.1
319.20474	1.5
321.18445	4.7
323.16626	3.1
324.17178	1.2
325.18008	6.4
329.19077	2.4
331.16959	1.3
331.20514	1.4
333.18494	3.4
333.24332	11.4
335.19962	2.0
335.25674	3.6
337.17999	2.3
339.19635	1.4
340.16888	1.7
341.17758	0.8
343.19504	2.2
345.18533	4.1
345.22177	1.0
347.20050	5.0
349.17990	1.2
349.21695	2.4
351.19507	0.9
357.18298	1.0
358.17529	0.8
359.20038	3.2
359.23828	1.0
361.17798	0.8
361.21811	3.0
363.19363	8.9
365.21060	3.9
371.19821	0.9
373.21518	2.0
373.27048	2.3
375.23380	1.2
377.21152	2.0
381.20630	6.6
383.22104	9.7
385.21332	1.0
387.23196	2.6
389.24823	1.7
391.22302	0.9
399.22183	2.6
401.24799	2.5
405.24121	1.6
413.24655	1.1
415.26401	1.9
419.26022	1.0
421.23877	0.8
429.27911	1.4
443.25635	1.4
445.27365	1.1
455.29843	1.1
457.27274	2.2
459.28799	0.9
461.26749	0.9
469.31195	0.8
471.28970	1.0
473.30676	0.8
475.28284	1.4
479.28384	1.0
483.29135	0.8
491.27924	0.8
497.30063	1.3
501.29550	0.9
511.32086	0.7
517.29681	1.0
521.37939	0.9
523.31409	0.8
533.33228	1.0
539.38672	2.6
549.38391	3.4
557.40369	0.7
559.34625	1.0
567.38251	21.8
567.47015	1.4
568.39301	0.9
571.34338	1.2
575.33716	1.8
585.39386	10.9
589.35260	2.1
600.38159	2.1
603.40186	1.3
605.39990	1.8
617.38452	1.0
618.39008	8.2
623.40674	3.0
631.43915	1.0
641.41864	29.0
642.42206	1.6
659.42981	100.0
660.43329	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	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01860	3.9
55.05257	0.9
55.05508	8.8
57.03434	20.3
57.07051	1.1
59.04989	1.2
61.02924	75.2
62.24783	0.8
63.66196	0.9
63.80617	0.7
65.03943	2.2
67.05501	32.7
68.56546	0.7
69.03425	30.9
69.07064	7.8
69.73876	2.8
69.74295	2.1
71.01357	3.4
71.01691	0.7
71.04996	5.2
71.08675	0.9
73.02913	24.3
75.04477	2.0
75.53130	0.8
79.05492	22.9
81.03413	23.8
81.07053	35.4
83.01328	1.6
83.04981	4.6
83.08595	3.5
85.02898	100.0
85.06512	1.2
87.04458	3.3
91.03949	57.4
91.05470	13.6
93.07039	27.4
95.04988	4.8
95.08599	26.9
97.02885	72.6
97.06528	2.1
97.10175	1.5
99.04446	12.0
99.08105	1.2
101.02368	7.5
103.03941	8.8
105.07024	11.7
107.04951	0.9
107.08582	13.9
109.02876	11.4
109.06519	2.4
109.10148	13.1
111.04428	3.4
111.08091	0.9
115.03917	5.9
117.05492	2.6
117.07015	4.7
119.08571	9.8
121.10138	13.9
122.85450	0.9
123.08096	1.1
123.11682	6.2
125.09612	1.1
127.03908	35.0
129.05487	5.7
129.07008	1.4
131.08556	9.3
133.06396	1.1
133.10110	7.4
135.11679	10.1
137.09680	1.0
137.13268	2.1
138.70895	0.8
139.11174	0.8
141.05470	0.9
143.08578	1.4
145.04948	24.9
145.10107	6.9
147.11679	6.6
149.09659	1.2
149.13239	5.7
151.11176	1.1
155.08482	1.1
157.10191	1.7
159.06586	2.3
159.11664	6.4
161.13225	4.5
163.05994	9.0
163.11214	1.3
163.14864	2.8
165.12796	1.5
169.10149	0.9
171.06602	1.7
171.11723	2.4
173.13237	5.5
175.14853	2.3
177.12866	1.5
177.16475	1.0
181.12271	0.8
183.06561	7.1
183.08087	1.1
183.11711	1.4
185.13268	1.4
187.14857	3.1
194.98740	0.7
201.07617	4.5
201.16518	0.9
205.15962	0.9
213.13010	0.8
219.08595	0.9
243.21120	4.8
259.20618	2.1
261.22125	17.9
273.22202	1.3
277.21591	0.8
279.23123	1.3
285.22058	1.0
303.23282	2.3
315.23074	1.2
317.24771	2.0
327.23260	1.2
333.24487	0.9
335.25775	64.4
345.24319	1.2
351.23068	1.4
353.26990	1.0
363.25513	2.5
369.24176	3.5
377.26956	1.0
387.25330	1.1
405.26340	1.1
443.27774	3.5
461.28635	3.4
468.41592	0.8
479.30026	9.4
497.31137	2.7
659.36560	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01876	8.9
55.05503	19.3
57.03433	27.9
61.02922	77.0
63.02345	3.7
67.05491	33.9
69.03416	35.0
69.07063	15.5
70.76089	12.8
71.01334	3.5
71.04983	9.2
73.02902	37.6
79.05484	27.5
79.88268	3.3
81.03407	26.1
81.07058	34.1
83.04970	9.4
83.08600	9.5
83.33322	3.8
85.02894	100.0
91.03940	61.2
91.05473	44.1
93.07034	40.1
95.04940	14.5
95.08575	27.6
96.80985	3.8
97.02879	80.3
97.06551	5.9
99.04446	13.8
101.02390	10.3
103.03908	9.4
105.07034	42.7
107.04936	7.1
107.08579	28.2
109.02882	10.7
109.06527	8.8
109.10153	13.0
115.03921	4.5
117.07034	16.7
119.08591	34.4
121.06469	6.7
121.10146	24.9
123.04465	5.3
123.11711	6.9
126.29710	4.0
127.03893	27.4
129.05450	6.5
129.06996	14.5
131.08577	17.8
133.06532	3.8
133.10109	32.8
135.11673	17.9
137.05997	4.5
137.09631	6.1
139.56534	3.9
141.06918	4.0
143.08553	10.4
145.04962	17.5
145.06485	6.0
145.10124	24.0
147.04420	4.3
147.08080	4.0
147.11661	18.8
149.09615	5.2
149.13243	11.7
151.07611	4.7
155.08527	6.9
157.10104	16.4
159.08015	6.5
159.11713	14.4
161.13240	11.6
163.06020	5.5
163.11177	4.8
169.10120	7.9
171.11719	12.9
173.09560	5.8
173.13284	7.0
175.11176	4.4
175.14835	8.0
183.06415	4.9
183.11740	5.7
185.13281	9.2
187.14819	4.3
189.09172	4.5
195.11719	6.8
197.13206	6.3
199.14824	5.3
201.07520	4.0
241.19563	11.8
257.19064	6.1
259.20535	21.5
267.15884	7.5
269.08163	4.2
271.20493	5.5
277.21814	6.9
283.20456	4.3
301.21695	9.0
310.49274	4.2
313.21643	6.1
321.22055	7.0
325.21570	5.9
333.24243	38.2
339.23065	4.3
349.21185	4.5
363.25604	5.1
367.22696	14.5
375.25204	10.2
417.26602	5.3
421.25797	4.4
441.26001	20.4
451.88965	4.0
459.27283	17.5
477.28372	25.4
495.29474	17.0
538.10339	4.0
625.23108	8.0
657.24835	8.9
657.34570	10.7
657.43988	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	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20303	0.4
55.05503	3.6
57.03432	3.0
57.07074	31.3
58.89689	0.3
61.02636	0.6
61.02922	7.4
67.05169	0.5
67.05499	8.3
69.03403	1.2
69.07064	6.3
69.70883	0.3
70.54541	0.9
71.04973	0.4
71.08628	26.8
73.02918	2.8
75.04481	2.3
79.05469	0.4
81.06570	0.7
81.07053	12.3
83.08615	8.7
85.02422	0.5
85.02901	7.7
85.06521	0.6
85.10180	15.0
89.06036	0.6
91.03950	8.9
95.08602	17.6
97.02895	4.0
97.10165	5.2
99.04449	0.8
99.11722	1.1
103.07562	0.5
109.02883	0.4
109.09450	0.7
109.10155	9.7
111.11681	1.2
115.03887	0.4
123.11697	4.6
125.13257	1.3
127.03892	3.3
127.14783	0.5
137.13255	1.6
139.14796	0.5
145.04958	4.3
147.62001	0.3
151.14804	0.7
163.05998	6.3
165.16376	0.6
221.22601	1.1
239.23686	22.5
257.24744	4.1
298.27408	1.1
313.27350	100.0
314.27780	1.7
331.28400	19.0
372.11478	0.3
386.99368	0.4
457.31757	0.6
475.32468	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34832	1.9
55.01853	3.9
55.05510	16.5
57.03433	3.4
57.07073	28.3
57.93167	2.0
62.36528	1.8
67.05502	21.1
69.07056	8.3
69.53047	15.8
71.08626	18.5
79.05486	4.4
81.07053	22.9
82.43496	2.0
83.08596	10.1
85.10172	13.7
95.08607	17.1
97.10162	7.0
107.08607	3.2
109.10139	12.2
115.05480	2.3
117.07027	3.3
123.11676	3.4
133.10088	2.0
141.06935	4.8
145.06355	3.6
149.05998	2.6
152.06154	5.3
153.06956	7.0
155.08543	4.1
157.06520	6.7
161.06058	4.5
165.06999	7.0
167.08565	20.9
169.10133	3.5
172.05168	3.5
173.05971	12.9
178.07832	4.3
179.08528	5.0
181.06425	12.1
181.10202	2.9
182.07312	5.0
183.08046	11.9
185.05968	3.3
185.09535	3.2
186.06740	2.6
187.07523	6.4
193.10112	2.7
194.07259	3.7
195.08047	100.0
196.08501	2.8
197.01378	2.4
197.05904	3.2
197.09624	15.4
198.06731	3.2
199.07579	7.4
201.09177	3.9
205.10156	3.6
207.07988	3.7
209.09663	7.2
211.07574	3.8
213.09099	47.9
215.10562	3.0
221.09586	12.1
223.11255	7.6
226.23294	2.3
233.09573	4.4
237.12892	3.0
239.23633	2.8
240.68935	2.2
251.10536	2.9
256.14569	2.7
261.16504	2.2
279.17523	13.9
284.14133	2.3
289.15842	8.8
297.18433	3.0
305.92618	2.2
307.16873	54.0
307.20261	3.7
313.27341	50.1
325.17981	40.7
330.64212	2.4
333.18454	3.0
343.19006	8.2
351.07956	2.2
363.19366	14.4
381.20477	21.2
399.21628	31.0
573.41437	2.5
619.43066	6.8
637.44366	13.1
655.37415	2.6
655.45435	7.3
658.67560	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.44215	0.5
67.05492	0.7
71.15188	1.2
71.15536	0.6
72.46497	0.6
79.05460	0.7
81.07007	1.1
84.13363	0.5
85.02868	0.8
91.05474	0.8
93.05814	0.7
93.07030	0.9
94.06551	0.5
96.08131	0.5
98.22609	0.5
106.06549	1.7
106.38741	0.5
108.08136	0.5
109.10126	0.6
110.06023	0.8
114.03716	0.4
122.06008	2.4
124.07579	12.6
134.05971	0.8
136.07570	12.2
140.07045	1.5
144.08047	0.6
146.05998	4.1
146.09618	1.9
148.07564	5.1
150.09103	0.8
150.79466	0.5
152.07014	1.5
161.05939	0.9
162.09122	0.5
164.05656	1.2
164.07054	22.0
165.07260	0.6
166.08630	22.6
167.07053	0.6
172.03900	3.5
174.05511	3.2
176.07068	7.3
177.05467	0.6
190.04976	1.2
191.05745	1.0
192.06508	1.1
201.10191	0.6
204.06546	3.4
206.08093	1.1
207.06401	0.7
208.09732	0.7
209.10629	0.6
210.11549	1.6
211.08708	0.6
211.12270	1.8
218.08118	1.2
221.10774	0.9
222.11479	1.1
223.12224	2.1
224.13025	1.5
225.10187	1.9
225.13680	0.8
227.11742	2.1
235.08743	1.3
235.12302	2.1
236.09171	0.8
236.13097	1.5
237.10126	5.9
237.13716	2.6
238.10974	5.4
239.11807	7.8
240.12177	0.7
243.11322	0.6
245.12836	1.6
248.09541	2.6
249.10202	5.3
250.10909	4.3
251.11761	12.6
252.12537	2.7
253.13361	3.8
255.11279	1.3
259.10645	0.8
262.10959	0.9
263.11752	22.8
263.14401	1.2
264.08783	1.8
264.12595	4.0
265.09741	8.6
265.13342	36.1
266.10632	0.8
266.13901	2.5
267.11328	2.9
267.14340	0.6
269.12759	3.9
271.06143	0.7
271.11270	0.6
271.14383	3.9
276.08563	0.6
277.09744	3.9
277.13028	0.9
278.10632	2.3
279.11264	46.3
280.11899	4.5
281.12851	3.4
282.13519	1.4
283.10791	1.5
283.14471	2.0
284.11404	0.9
287.13831	4.1
291.11276	9.1
292.12045	3.0
293.12811	8.2
294.13464	1.3
295.10852	7.9
295.14182	1.3
296.11533	2.4
297.12311	25.0
298.12973	4.1
299.13876	0.7
303.13248	1.0
305.15005	1.5
309.12311	55.7
310.13052	24.0
311.13849	26.9
312.14651	6.0
313.11966	0.6
313.15427	2.1
315.13367	2.3
316.14279	0.7
317.28302	0.6
319.10745	6.9
320.11200	1.1
321.12259	3.1
323.16187	3.4
324.10880	0.8
325.11810	0.9
329.14993	1.2
331.16592	1.1
337.11789	100.0
338.12531	34.0
339.13358	22.2
340.13934	1.8
344.17535	0.8
346.15512	1.2
352.14343	0.7
355.12970	1.0
357.14618	1.2
358.15509	0.9
369.14426	26.6
370.15198	7.7
371.15997	14.4
372.16910	0.5
374.14905	1.3
384.13245	0.8
388.16058	0.8
390.17920	0.7
392.15854	0.9
398.15118	0.9
399.15665	2.1
400.16501	2.2
401.13324	4.4
408.18829	0.7
416.16202	2.1
418.17197	1.2
430.17224	0.8
432.19424	0.6
434.17072	2.1
436.22330	53.1
437.22867	2.5
450.19815	0.9
458.17151	3.6
459.17776	1.4
462.20215	51.3
463.20645	2.3
464.21872	0.9
476.18149	4.3
480.21304	16.6
481.21646	1.5
494.23016	61.2
495.23950	3.7
510.22122	2.1
559.25574	3.5
575.28851	1.1
583.25476	9.9
584.26044	1.1
591.27893	1.7
601.26453	9.6
615.28198	1.3
619.27557	28.9
620.27557	2.4
633.29114	1.5
651.30359	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	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
67.05504	2.9
69.03416	2.4
69.07059	1.4
69.50229	8.0
70.06567	1.2
71.04977	1.1
72.95563	0.8
73.82657	0.9
79.05482	2.4
81.03393	1.8
81.07037	2.7
83.04975	1.6
85.02896	2.8
91.05486	2.4
93.07060	2.0
94.06571	2.5
95.04960	2.0
95.08589	2.1
96.08101	1.6
97.02887	2.9
99.04481	0.9
105.07033	2.4
107.04971	1.2
107.08586	2.2
107.09267	0.8
108.08140	1.1
109.02896	1.3
109.06586	0.9
109.10113	1.8
111.08090	1.2
112.89755	0.9
116.28412	0.8
118.06548	1.0
119.04897	1.4
120.04491	0.9
120.08099	1.1
121.10111	1.1
122.06005	4.4
123.04417	1.6
124.07588	45.6
127.03901	1.0
130.06506	0.9
131.04942	1.7
131.08546	0.8
133.10123	2.6
134.06049	1.4
135.08058	1.1
135.11740	1.0
136.07568	3.9
137.05959	6.8
144.04414	2.2
145.02815	0.9
145.10091	1.4
146.06007	11.3
147.04407	1.6
147.11679	1.5
148.07594	4.3
149.05983	1.8
151.03883	1.1
151.07568	1.7
152.07085	1.7
161.05995	1.0
162.05478	2.3
162.09149	2.1
163.07475	1.6
164.07050	2.7
165.09085	1.1
166.08549	1.1
167.07048	2.3
172.03940	13.5
172.07608	1.5
173.13365	1.1
174.05489	13.1
176.07060	8.3
177.05484	2.4
179.07109	1.8
180.10222	2.2
190.04997	1.5
191.05701	4.7
192.06520	1.3
196.07607	1.3
198.09247	1.1
199.08693	1.1
200.07109	2.1
200.09293	1.0
203.07057	1.0
204.06557	23.9
205.06784	1.2
206.08075	8.7
207.06445	1.0
208.09703	3.5
208.44795	1.0
209.13063	0.9
211.08643	2.6
212.09433	1.5
213.10197	3.1
214.08621	3.2
214.10809	0.9
215.11801	4.3
224.09473	1.3
225.10196	2.3
226.08659	1.2
226.11011	0.9
227.11772	1.5
229.09648	1.1
236.09387	1.0
237.10147	2.4
238.11032	1.3
239.11829	4.2
241.09645	2.6
241.13429	1.6
242.08109	5.5
243.11285	18.6
248.09372	1.3
249.10197	2.7
250.11061	1.2
251.11807	3.2
253.09755	2.4
255.11292	2.1
256.11975	1.0
257.12833	2.5
259.10693	1.1
263.11761	11.8
264.09070	1.2
265.09668	3.5
265.13312	3.2
266.10614	1.4
267.11331	6.1
269.09213	2.8
269.12830	9.2
271.10773	1.9
271.14429	3.2
277.09589	2.7
279.11255	3.8
280.11984	1.0
281.09247	1.5
281.12747	2.8
283.06030	1.7
283.10678	4.6
284.11642	1.8
285.12317	17.6
287.10349	5.6
288.11172	0.9
291.11356	4.2
293.08990	1.0
293.12875	1.7
295.10709	4.1
296.11514	1.4
297.12317	23.9
298.13156	2.2
299.10184	3.6
299.13843	2.5
301.11823	2.0
302.10178	2.7
302.13168	1.4
303.13394	57.1
304.14197	2.0
309.09149	1.6
309.12393	16.1
311.10345	1.6
311.13599	5.0
313.11887	3.4
315.13467	13.8
316.10886	1.6
316.14294	1.4
318.16016	3.6
319.16937	1.9
323.10382	2.2
323.14044	3.6
325.11618	2.1
327.13306	7.0
329.11472	0.9
329.15015	12.3
330.12241	2.4
331.13171	2.2
332.13831	1.7
332.17389	1.7
336.10883	1.6
337.11945	5.3
338.12457	1.4
343.13504	1.2
344.13733	2.4
345.14810	1.9
346.15250	4.6
347.16165	3.0
355.12881	23.6
356.13678	2.4
358.11627	1.6
358.15643	2.2
360.17010	3.6
362.14459	1.1
367.12881	2.4
368.13614	1.7
369.14563	5.3
370.15656	1.5
371.12637	1.9
372.13483	5.6
373.13989	5.9
374.14749	5.1
378.18097	1.2
385.14154	3.3
386.14938	9.2
387.15530	66.5
388.16656	6.5
400.16946	1.2
401.13715	1.7
401.30759	1.0
402.14072	2.1
402.18738	1.6
404.16058	3.6
404.36154	1.1
405.16779	1.7
406.17654	6.2
410.17334	1.1
414.14374	7.1
415.15323	14.4
416.16000	19.6
418.17715	2.2
428.16052	1.3
429.16901	1.6
430.17612	5.2
432.14944	2.0
433.16141	3.7
434.17087	2.9
442.19727	2.6
446.17050	5.8
447.17810	3.6
456.15497	4.1
458.17059	2.9
460.14816	1.7
474.16647	17.4
475.17386	10.3
476.18195	7.4
478.19772	3.0
490.19791	1.5
492.21512	4.1
494.18915	2.0
496.20847	9.0
503.04379	1.0
506.19299	3.8
508.20770	6.7
526.21710	3.0
527.22076	1.1
528.23181	3.0
557.23883	3.0
581.23669	5.5
599.25000	100.0
600.24976	2.7
617.25580	4.5
631.27692	5.2
649.29510	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	647.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77143	0.1
55.01861	0.1
57.03415	0.1
68.99823	0.1
69.03401	0.2
70.01264	0.1
70.01676	0.3
73.02899	0.2
79.05491	0.1
79.32675	0.1
81.07028	0.1
81.22684	0.1
85.02892	0.1
86.18581	0.1
90.04711	0.2
97.02871	0.2
105.07014	0.1
115.03915	0.1
121.06464	0.1
121.10172	0.1
127.03887	0.1
133.06488	0.5
135.04414	1.8
137.02321	0.2
141.01830	0.5
155.03352	0.1
158.07373	0.1
161.09502	0.1
165.01828	1.7
181.06509	0.1
183.02888	1.5
185.09605	0.1
198.06784	0.1
199.07510	0.1
213.09111	0.1
225.05440	0.2
226.06235	0.3
241.08549	0.1
243.06606	0.1
251.06816	0.1
254.05739	3.4
269.08115	0.7
282.05219	6.3
283.05499	0.2
285.07568	0.4
297.07556	100.0
298.07916	1.9
299.08981	0.1
350.78574	0.1
353.13809	30.7
354.14188	0.5
389.13602	0.1
515.19446	0.3
629.15558	0.1
647.23944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
52.17441	0.7
52.84033	0.7
53.03924	0.8
55.01875	4.0
56.73639	0.6
57.03415	0.9
65.03924	5.9
67.05482	1.7
69.03422	1.0
70.12402	0.7
71.27124	2.1
75.04449	1.2
78.04710	2.1
79.05490	5.3
79.26474	0.7
81.07034	1.5
82.04133	0.7
84.52375	0.7
85.02898	3.0
88.28166	0.7
89.03921	1.5
89.06007	0.8
91.05473	19.8
93.03394	4.9
93.07037	5.4
95.01332	0.7
95.04948	4.8
97.02865	1.1
97.06506	1.1
103.04777	1.1
103.05461	18.3
105.03357	0.9
105.07029	8.7
106.04176	8.9
107.04948	33.7
107.08597	1.1
109.02852	0.7
109.06493	1.3
110.03637	4.3
111.04448	7.7
115.05437	3.5
117.03378	1.1
117.07005	1.5
118.04140	1.6
119.04941	11.4
120.05721	1.1
121.02865	1.2
121.06493	21.3
122.03629	0.9
123.04419	3.5
123.08031	1.0
124.05166	1.2
124.46181	0.8
125.05974	9.0
128.06238	1.1
129.06984	4.4
131.04921	13.6
131.08568	1.6
132.05710	4.2
132.13499	0.8
133.02814	3.9
133.06473	5.4
133.10104	1.1
134.03612	2.1
135.04413	2.9
135.08047	9.6
136.05180	3.2
137.04984	1.5
137.05963	18.4
138.03122	0.9
138.06657	1.1
139.07536	1.9
144.05647	0.8
145.06425	2.0
145.07474	0.8
146.03571	0.8
146.07240	2.4
147.04404	10.5
147.07944	1.2
148.05193	4.9
149.05972	30.5
149.09601	1.4
151.03882	1.5
151.07542	13.4
153.05457	33.3
153.09061	6.3
154.06194	2.9
155.07054	1.1
157.06436	1.9
159.04262	1.0
159.08058	1.7
160.05190	1.8
161.05969	65.5
161.09586	14.9
162.06644	1.3
163.03922	1.9
163.07533	40.4
164.04645	2.4
165.05519	4.0
165.06799	1.0
165.09088	1.7
166.06253	1.8
167.07037	41.7
173.05969	1.3
174.06725	2.9
175.03995	1.0
175.07561	8.5
176.04678	1.0
177.05463	19.0
177.09065	1.9
179.07036	17.6
179.08463	1.0
179.10648	1.4
180.07788	3.3
181.05066	1.0
181.08589	30.6
182.07623	1.0
182.09329	7.6
183.08145	1.2
189.09096	33.5
191.07022	22.6
192.07756	7.8
193.08572	7.0
195.08025	1.8
195.09998	0.9
197.09657	1.7
199.07471	1.0
205.06519	1.3
205.08426	0.8
207.06583	8.4
207.10144	47.4
208.08871	1.2
208.53291	0.8
209.08073	71.4
210.06911	1.7
210.08842	11.0
211.07536	1.6
212.08202	1.3
217.08495	1.2
218.09222	1.0
219.08104	1.7
219.10202	2.3
221.06105	1.8
221.09613	1.7
223.07434	1.5
223.10970	0.9
224.08327	1.2
225.09111	3.2
226.10745	2.3
227.07048	1.5
235.07515	1.6
236.10449	2.8
237.05438	0.9
237.09094	2.0
238.06061	1.1
238.09874	1.3
239.07025	1.6
239.10612	1.1
240.07732	1.8
243.04688	0.7
247.07503	0.9
249.09006	2.2
250.06485	1.0
251.07031	4.7
251.10649	2.3
252.07578	1.1
253.08546	3.8
255.06410	1.8
255.10213	1.4
263.06885	1.1
264.07825	2.4
265.08630	2.3
266.05957	1.0
267.06485	0.8
267.10107	2.7
268.07324	1.4
269.07983	1.5
269.11957	1.4
270.08847	1.0
275.07150	0.9
277.08716	1.0
278.09647	0.9
279.06378	1.7
279.10098	4.2
280.07428	1.2
281.08139	2.8
282.08963	1.3
283.09631	2.6
283.12845	0.9
284.10248	1.5
285.11230	2.8
293.08044	1.2
295.09641	2.9
296.10437	2.1
297.11172	3.7
299.12793	4.0
300.09879	1.0
307.09668	1.1
309.11105	2.2
311.09088	3.6
311.12820	3.3
312.13727	0.9
313.10715	2.5
313.14261	2.2
315.12320	3.1
317.13721	1.6
321.11224	1.2
325.10544	2.0
327.12247	8.3
329.13913	5.9
331.15375	1.1
339.12311	5.9
341.13843	7.7
343.15283	6.0
353.13788	1.2
355.15338	1.4
357.13312	43.2
359.14859	100.0
360.15137	1.5
361.16449	24.8
361.20932	1.5
364.17545	1.0
371.10413	1.6
371.14871	24.5
373.16501	4.8
389.15930	19.0
390.16434	0.8
442.25427	0.8
443.16629	0.9
451.21960	1.8
563.20422	1.3
601.19196	0.9
605.22052	4.7
610.81433	0.8
648.30066	1.4
649.12122	1.0
649.21161	13.9
661.21838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01862	4.1
55.05511	9.9
57.03437	22.4
61.02924	87.0
65.03921	2.0
67.05501	34.3
69.03067	3.0
69.03426	34.8
69.07060	9.0
69.22021	1.3
70.41952	3.2
70.42352	3.3
71.01350	4.0
71.04993	3.3
73.02917	25.6
75.04485	1.8
79.05492	31.0
81.03417	21.1
81.07054	41.8
83.01329	2.2
83.04960	4.5
83.08603	5.2
85.02902	100.0
86.42249	1.4
87.04457	3.6
91.03953	62.1
91.05476	16.4
92.81277	1.4
93.07043	28.8
95.04958	8.4
95.08607	29.7
97.02892	72.9
97.06538	3.2
97.10152	2.6
99.04441	13.0
101.02381	7.7
101.02931	1.5
103.03934	8.2
103.05415	1.7
105.07023	16.3
107.04848	1.5
107.08585	22.3
109.02871	10.1
109.06484	2.4
109.10165	15.3
111.04429	3.7
111.08110	2.5
115.03947	8.0
115.05442	1.5
117.05433	2.3
117.07000	5.9
119.08587	11.6
119.09372	2.3
121.10137	15.5
123.08076	1.7
123.11708	6.0
125.09560	1.6
127.03912	35.7
129.05469	5.7
129.06987	2.5
131.08557	12.7
133.10135	10.3
135.08023	2.3
135.11678	11.6
143.08521	3.4
145.04955	27.5
145.10088	10.1
147.06526	1.5
147.11650	9.1
149.13239	5.3
151.11168	2.1
155.08528	1.9
157.10167	2.6
159.06512	1.8
159.11758	7.0
161.13307	3.8
163.06053	9.4
163.11189	1.7
163.59106	1.6
169.10153	1.8
171.06541	2.7
171.11642	1.8
173.13304	3.2
183.06532	7.2
187.14821	2.4
201.07590	6.3
229.19621	7.5
245.19075	1.7
247.20583	17.7
289.21823	2.5
295.97369	1.8
305.24835	2.1
321.24234	76.8
321.28061	3.7
322.24460	1.8
327.23315	2.7
349.23767	4.3
355.22672	4.8
361.48392	1.5
363.25143	1.7
401.26483	1.7
414.03766	1.5
429.26019	2.7
447.27423	2.0
465.28293	10.9
483.29529	3.3
645.33563	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01862	0.9
55.05509	1.8
57.03428	1.7
57.07068	0.3
61.02929	4.0
65.03933	0.3
67.05502	6.1
67.27864	0.3
68.47112	0.3
69.03426	1.2
69.07067	3.8
70.06576	0.4
70.89781	0.4
70.90125	0.6
71.04987	1.1
73.02915	1.8
73.06559	0.3
79.05489	2.8
81.03407	0.6
81.07056	17.9
83.04994	1.5
83.08623	2.4
85.02903	5.9
85.06546	1.6
91.03957	4.1
91.05484	4.9
93.07034	2.6
95.04964	1.0
95.08607	4.2
97.02889	2.5
97.06539	1.9
99.04442	0.6
99.08088	1.3
101.06024	0.3
103.05474	0.4
105.07030	8.6
107.04943	0.6
107.08595	3.7
108.97478	0.3
109.02882	0.6
109.06537	1.7
109.10185	0.4
113.06019	0.7
115.03908	0.3
116.38636	0.2
117.05497	0.3
117.07061	0.5
119.07800	0.4
119.08588	7.0
119.09442	0.4
121.06482	0.3
121.10146	5.6
123.08035	1.6
123.11707	8.9
125.09640	0.3
127.03909	1.9
127.07547	1.1
129.06975	0.7
131.08565	0.5
133.10103	1.0
137.05960	1.2
137.13228	0.7
141.09096	0.4
145.04980	2.1
145.10104	0.5
147.04396	0.4
147.11682	25.4
149.05940	0.4
149.09583	0.5
151.07516	0.4
157.10117	1.4
159.07961	0.3
161.05975	0.5
163.06021	3.0
163.07397	0.5
165.12750	13.4
167.07045	1.9
168.07449	0.5
173.05962	0.4
175.11197	1.5
177.05492	0.5
181.04945	1.1
183.13739	1.4
185.81320	0.4
191.07001	0.5
193.08482	0.4
193.12250	1.5
201.05548	0.3
211.13194	0.5
229.14349	4.0
249.11308	0.7
250.11476	0.4
255.06491	0.5
267.15912	31.4
268.16367	0.4
285.16956	100.0
286.17422	1.4
303.18063	2.3
365.17557	0.3
373.13120	0.4
394.04822	0.3
429.21344	0.4
447.22137	1.8
482.11270	0.4
498.11780	0.3
644.24725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01861	8.2
57.03425	10.7
60.41967	3.4
60.57361	3.0
61.02924	11.4
65.03924	3.6
67.05505	7.3
69.03419	22.8
69.07057	4.4
70.06584	5.0
71.04975	7.2
71.58456	5.3
71.58833	3.6
73.02902	9.8
79.05482	9.3
81.03420	47.2
81.07061	5.2
83.01271	3.4
83.04985	7.6
83.08614	7.1
85.02891	71.1
87.00829	19.0
91.03960	8.5
91.05474	10.6
95.04964	11.9
95.08627	5.0
95.83031	2.9
97.02881	27.0
99.04441	8.6
103.03929	6.0
103.05464	11.5
105.01855	19.2
105.07021	19.0
107.04919	20.5
109.02876	24.1
109.06549	5.4
111.04433	8.5
111.08054	4.7
115.03881	3.9
119.02219	2.8
119.04932	11.0
119.08603	8.8
121.06531	5.8
127.03903	29.3
129.06985	6.7
130.22304	3.0
131.04910	15.9
131.08571	6.2
133.06499	22.4
133.10143	5.2
137.05977	100.0
138.05496	10.2
142.58241	3.6
145.04930	15.1
145.06474	5.2
147.04396	12.9
147.11609	4.3
149.05978	14.9
149.09541	3.7
151.03946	4.3
151.07483	15.7
157.10179	5.1
159.02919	6.0
159.04385	3.7
161.05952	54.6
161.09621	11.1
162.06755	3.7
163.06183	5.5
163.07491	39.6
165.09067	15.5
167.07036	4.9
169.06517	4.0
174.06769	4.0
175.07578	15.7
175.11078	7.0
177.05455	6.3
177.09047	6.1
179.07060	5.8
181.08606	10.9
189.03847	8.0
189.09088	28.7
191.07025	55.6
193.12236	27.2
195.10149	4.5
197.06026	6.4
199.07611	4.6
203.07025	34.8
205.08644	5.0
207.06522	3.7
207.10164	73.4
211.07570	4.0
211.13274	22.9
214.97858	3.2
215.06985	9.0
219.10129	3.9
225.10788	3.4
227.10327	3.5
229.08600	11.6
231.05029	5.8
233.08131	14.1
247.09703	5.8
249.11249	6.1
257.08035	13.2
267.15973	10.9
273.11191	11.8
275.09189	9.6
285.11572	4.6
285.16928	81.5
287.12711	4.3
291.12308	8.5
293.10242	5.1
297.11124	6.6
299.12973	4.2
303.04944	8.9
304.05365	8.8
311.12759	3.6
313.14355	8.9
315.12253	6.3
331.15433	46.7
343.15219	5.8
355.15320	5.8
361.09219	6.4
379.10297	18.0
397.16199	4.2
421.16309	5.5
439.17447	4.5
482.11472	12.5
616.66742	3.8
639.14789	3.4
644.23212	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	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01880	0.6
55.05512	2.5
57.03440	3.7
59.04999	0.3
61.02922	5.3
65.03943	0.4
66.52923	0.3
67.05500	7.3
69.03435	1.1
69.07060	4.7
69.75200	1.7
71.04987	1.3
73.02917	2.0
74.97005	0.2
78.34734	0.3
79.05487	3.9
81.03422	0.8
81.07050	27.3
82.07379	0.4
83.04987	2.3
83.08618	3.1
84.97431	0.2
85.02901	6.5
85.06524	1.9
91.03956	5.5
91.05476	6.8
91.41792	0.2
93.07046	3.6
95.04968	0.7
95.08598	5.3
97.02876	3.0
97.06519	3.2
97.10156	0.4
98.20800	0.5
99.04457	0.7
99.08092	1.6
101.06011	0.5
103.05441	0.3
105.07024	12.6
106.07373	0.3
107.08589	4.9
109.02884	0.7
109.06522	2.0
109.10147	0.7
111.04471	0.3
111.08057	0.7
113.06042	0.7
115.03931	0.5
117.07041	0.5
119.08575	9.6
119.24311	0.3
121.10134	9.0
123.08057	1.6
123.11704	13.1
124.12030	0.3
127.03896	1.8
127.07570	1.5
129.06989	0.5
130.16960	0.3
131.08653	0.6
133.10129	1.2
137.05942	0.8
137.09608	0.3
137.13188	1.5
141.09077	0.5
145.04984	1.8
145.10089	0.4
147.11679	37.8
148.12019	0.7
149.09573	0.4
156.41039	0.3
157.10139	1.1
163.06033	2.7
163.11134	0.3
165.12743	18.4
167.07014	0.5
175.11200	1.5
177.05594	0.3
183.13823	2.3
191.07056	0.4
193.12178	1.4
197.94621	0.3
211.13234	0.5
229.14313	4.0
267.15894	23.5
268.16263	1.1
273.19482	0.3
285.16943	100.0
286.17377	2.5
296.90109	0.3
315.50739	0.3
333.83319	0.3
373.07089	0.3
429.21143	0.7
447.22247	6.1
579.75684	0.3
609.27478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
53.26182	2.4
53.89324	2.5
55.01854	7.2
55.05499	3.6
57.03426	9.3
61.02919	13.9
67.05491	3.0
68.99763	3.5
69.03112	2.8
69.03426	26.2
69.07063	3.3
69.74586	2.3
70.39821	12.1
71.04965	2.8
73.02892	10.1
75.10062	3.1
79.05487	10.7
81.03411	49.9
81.07045	11.1
83.04960	7.5
83.08605	11.2
85.02896	72.7
85.11434	2.5
87.00829	21.7
91.03938	7.2
91.05480	19.0
93.07038	7.0
95.04959	18.8
95.08572	4.4
96.24429	2.5
97.02885	29.8
98.21468	4.0
99.04447	9.0
103.03954	6.1
103.05448	9.9
105.01846	18.2
105.07013	25.2
107.04980	13.9
107.08594	5.2
109.02872	22.3
109.06536	2.8
109.10174	2.9
111.04416	5.2
111.08069	5.2
113.06015	2.8
115.05458	5.2
118.81332	2.7
119.04910	12.7
119.08527	8.7
121.06518	6.6
122.03678	3.7
125.06009	2.7
127.03909	34.7
129.01765	4.3
129.07004	7.0
131.04918	19.1
131.08566	6.9
133.06493	23.5
133.10136	4.6
135.08057	4.4
135.11711	2.7
137.05969	100.0
137.07033	5.5
138.05426	4.5
141.06924	2.8
145.04950	11.4
145.06485	3.0
147.03044	2.7
147.04382	8.2
147.11638	6.5
149.05952	14.0
149.09537	3.1
151.03896	4.0
151.07535	26.1
153.05511	3.2
153.07008	2.2
157.06555	3.1
157.10080	7.4
159.02884	7.1
159.04428	7.8
161.05974	48.4
161.09627	12.1
162.06712	3.1
163.06096	4.3
163.07520	37.6
165.09105	16.8
169.06422	4.4
171.02853	3.4
173.05965	3.3
175.07553	14.4
175.11177	8.8
176.04538	4.6
177.05461	5.1
177.09053	5.4
179.07028	7.1
179.10577	3.9
181.05019	2.6
181.06705	3.0
181.08594	9.6
187.07565	7.1
189.03923	3.0
189.09097	27.2
191.06998	55.7
191.08560	4.7
193.12245	29.3
195.06526	3.1
195.08092	3.8
197.05991	6.9
199.07512	3.3
201.09134	4.9
203.07036	33.5
205.08635	5.6
207.10158	68.9
211.13257	25.3
211.53250	2.8
213.09283	2.6
215.07011	4.5
215.10486	3.0
217.08611	3.1
219.10039	5.5
227.10655	4.6
229.08583	11.6
231.04739	4.0
231.06772	3.9
231.10068	5.3
233.08043	13.4
249.11275	5.6
253.08754	3.4
254.13307	3.1
255.10211	5.6
257.08102	13.1
267.15887	18.5
269.08209	4.5
273.11115	9.9
275.09201	7.3
285.11633	3.8
285.16946	91.1
287.05338	4.1
287.12714	3.0
288.05444	3.1
291.12274	9.5
293.10110	6.1
297.11157	6.2
303.04984	11.3
304.05280	6.9
313.14175	7.6
331.15375	46.5
343.15451	8.4
361.09186	4.5
377.12253	3.0
379.10126	13.8
395.13525	4.6
421.16507	3.4
439.17249	5.6
482.11594	7.6
644.24219	4.5
644.38562	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1703
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
52.82698	0.2
53.03930	0.4
53.79721	0.2
53.80550	0.2
55.05514	0.5
57.03429	1.4
61.02925	1.3
67.05476	0.2
68.99762	0.2
69.03416	0.9
69.07064	0.3
70.06598	0.3
71.04988	10.1
71.62868	0.4
73.02907	1.3
75.04462	0.6
81.03408	0.5
81.07037	0.6
83.04970	0.8
83.08582	0.3
84.01117	0.2
84.08128	0.3
85.02898	14.7
86.09729	0.2
91.03928	0.8
93.07027	0.7
95.08595	1.0
97.02877	1.2
98.97555	0.3
99.04413	0.4
105.01857	0.4
105.07005	0.4
107.08578	0.8
109.02861	1.0
109.10092	0.3
111.00790	0.6
111.04465	0.5
121.10117	1.4
122.10529	0.5
123.04451	0.3
127.03887	0.9
129.05467	3.1
135.11592	0.3
137.02307	0.9
137.05959	0.6
139.03899	1.8
140.04642	0.4
145.04903	0.5
146.48088	0.3
147.06491	1.2
151.03859	0.4
153.01822	4.5
161.05869	0.3
165.01869	1.2
166.02525	0.3
167.03363	1.3
167.07036	0.5
177.16356	1.8
178.16699	0.6
179.03404	0.3
183.02817	0.5
189.05399	0.5
191.34796	0.3
193.04922	0.5
195.17410	0.5
208.03757	0.3
217.04984	1.6
219.02844	1.7
233.04456	0.8
234.05125	0.3
241.04904	0.4
244.03586	1.2
245.04439	2.4
247.02228	0.3
259.06015	0.9
261.03970	0.4
273.03903	2.4
277.07007	1.1
287.05527	1.1
289.03372	1.9
290.04163	1.1
300.02661	0.3
301.03381	3.8
304.05771	0.4
315.05075	0.3
315.13278	0.4
317.06534	0.4
318.03671	7.4
333.06009	100.0
334.06253	1.1
524.50757	0.3
641.21918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14471	0.2
53.55780	0.3
70.87352	0.8
80.19588	0.3
140.64558	0.3
199.77213	0.3
396.12469	1.0
397.12878	2.3
398.13812	1.2
399.14554	0.7
409.13257	0.9
410.13760	2.5
411.14523	5.7
412.15329	4.3
413.15997	3.4
423.15115	1.9
424.10764	0.8
424.16113	2.6
425.16248	13.2
426.16861	10.2
427.17450	2.3
428.18597	1.8
437.16266	1.0
438.12155	3.0
438.17639	1.1
439.13553	14.6
440.19016	6.0
441.19272	41.5
442.19608	3.3
451.18378	0.4
452.14148	3.8
453.15244	19.1
454.16052	5.8
455.21378	0.5
456.13797	0.5
457.15298	0.9
459.20169	0.5
463.14032	0.9
464.14395	0.4
465.15390	0.8
466.12564	0.8
467.17157	27.1
468.17923	16.1
468.24945	0.4
469.18845	13.1
470.19086	0.8
471.16470	1.3
472.18030	0.4
480.17209	1.1
481.14734	14.1
482.15210	3.3
485.18246	1.4
486.18866	0.7
487.19614	0.4
493.16086	0.4
494.17880	0.6
495.16888	2.1
496.17166	11.8
497.17862	2.8
498.19168	0.8
499.20047	1.2
508.19492	1.0
509.18295	3.2
510.18463	0.4
512.20563	1.2
513.21472	0.5
514.22424	3.0
522.17688	0.7
523.19781	1.8
524.20422	0.7
525.17554	0.5
527.23663	3.3
528.23676	0.8
537.19971	0.5
540.20319	0.8
542.21814	0.9
545.24371	0.7
555.22382	34.1
556.23035	2.4
568.19476	0.3
582.20959	0.4
583.21869	100.0
584.22058	7.8
586.20715	0.5
587.24963	1.9
611.20996	2.4
614.23779	0.9
615.24463	14.3
616.24738	1.0
643.23926	83.7
644.24182	5.5
644.34192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01855	3.1
55.05522	6.9
57.03436	2.7
57.07067	6.7
57.19642	1.6
57.72548	1.3
59.04996	1.5
61.02924	2.7
67.05499	13.4
69.03122	1.5
69.03429	15.3
69.06718	2.5
69.07068	30.5
69.54784	9.7
69.55192	2.1
71.04994	6.5
71.08657	1.3
73.02917	2.6
74.28770	1.4
79.05486	9.8
81.03423	6.6
81.06572	2.2
81.07053	38.7
83.04996	2.3
83.08621	15.8
85.02894	20.6
85.06524	5.1
87.00834	6.6
91.05467	6.8
93.07038	24.0
94.07377	1.6
95.04948	4.9
95.08601	36.6
97.02900	9.6
97.06519	4.7
97.10141	2.8
98.21497	1.5
99.04435	2.9
99.08059	2.2
103.05476	1.5
105.01840	6.0
105.07014	11.4
107.04934	2.9
107.08590	35.0
109.02882	6.5
109.06535	10.4
109.10155	36.2
111.04418	2.4
111.08071	6.0
111.11699	6.0
113.05927	1.5
115.03922	1.5
119.08574	13.4
121.06505	4.7
121.10144	15.4
123.04398	1.6
123.08064	5.3
123.11705	15.8
125.05993	1.8
125.09618	2.6
125.13271	1.4
125.47959	1.3
127.03918	10.9
127.11160	2.7
131.04884	2.1
131.08548	5.8
133.10129	7.3
135.08043	10.2
135.11679	18.4
137.05957	6.2
137.09616	18.4
137.13242	4.6
139.07533	3.0
139.11172	2.2
143.07030	4.8
145.04971	4.2
145.10110	6.8
147.08020	4.3
147.11671	8.7
149.05995	3.1
149.09596	7.4
149.13239	8.8
151.03961	1.8
151.07587	2.8
151.11143	10.8
153.09055	2.1
153.12737	15.1
155.06964	2.2
157.10127	1.3
159.02919	1.9
159.07999	2.0
159.11674	4.3
161.05972	3.0
161.09610	5.2
161.13277	3.4
163.07526	4.2
163.11252	2.1
163.14824	3.3
165.09119	14.9
167.07040	3.9
167.10690	8.1
167.14372	2.0
169.10121	1.5
169.12236	3.7
171.11702	2.2
171.13808	4.0
173.09602	3.3
173.13300	3.6
175.07500	1.4
175.11182	3.2
175.14865	3.4
177.09129	4.8
177.12718	1.7
177.16380	2.4
179.10689	8.3
181.04988	1.6
187.07555	1.5
187.14734	2.2
189.16374	2.6
191.07019	2.6
191.10623	4.7
193.12225	3.0
193.15886	4.0
195.10139	6.8
195.17398	3.6
197.11688	1.8
207.06503	2.1
219.21121	3.4
237.22052	1.7
243.21059	4.5
257.22565	2.0
261.22153	4.4
275.23688	5.3
277.25162	2.0
279.23273	4.5
285.22137	5.2
295.26288	4.4
297.24081	1.4
303.23215	26.8
321.24249	100.0
322.24802	2.8
339.25284	94.3
340.25577	2.0
357.26352	67.2
375.27457	9.1
519.63031	1.5
624.64746	1.5
655.18274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45182	0.7
50.49695	0.8
53.03936	3.7
55.01874	1.9
55.05511	8.8
57.03425	2.9
57.07086	4.1
59.04992	2.6
61.01670	0.7
61.02933	1.5
65.03936	0.8
66.05446	0.9
67.05501	14.2
68.99787	1.0
69.03426	16.8
69.07065	39.7
71.00888	2.0
71.05002	5.7
71.08622	1.8
73.02906	1.8
79.05478	7.6
81.03419	9.2
81.07054	42.1
83.04967	2.8
83.08624	9.9
84.04532	0.7
85.02901	21.2
85.06539	4.5
86.09668	0.9
87.00822	7.2
91.03940	0.9
91.05458	7.0
93.07036	26.2
95.04967	5.1
95.08600	39.3
97.02884	10.3
97.06523	7.0
97.10146	3.4
99.04462	4.7
99.08092	2.0
101.06021	1.1
103.03895	1.1
105.01854	4.8
105.07023	9.4
107.04945	2.4
107.07853	1.8
107.08587	38.4
108.08906	1.1
109.02889	7.7
109.06505	6.7
109.10149	48.1
111.08085	5.3
111.11726	7.2
115.05444	0.9
117.01867	1.1
117.06975	1.9
119.08563	12.3
121.06487	3.2
121.10134	17.8
123.04458	1.0
123.08064	3.7
123.11699	17.6
125.05985	3.6
125.09610	2.6
127.03918	11.1
127.11170	5.6
129.01805	0.8
131.04968	1.1
131.08556	5.3
133.10118	11.3
135.08080	7.2
135.11687	17.8
137.05975	4.6
137.09605	17.4
137.13219	5.8
139.07527	1.3
139.11194	1.6
143.05994	1.2
143.07024	8.1
143.08536	1.7
145.04968	3.2
145.10130	6.8
147.07994	3.0
147.11674	6.6
149.05923	0.8
149.09607	8.7
149.13222	6.7
151.07477	0.9
151.11174	13.9
153.09116	2.7
153.12743	18.5
155.06982	1.2
155.10664	1.8
157.10120	1.2
159.02881	2.5
159.08105	2.1
159.11703	5.2
161.05957	1.0
161.09627	6.6
161.13248	3.8
163.07513	2.2
163.11154	2.8
163.14792	3.9
165.09091	12.0
165.12764	2.1
167.06999	3.5
167.10715	7.8
169.10086	1.2
169.12245	4.4
171.10176	1.8
171.11635	1.9
171.13846	5.0
173.09637	1.7
173.13283	5.4
175.11165	2.3
175.14793	3.7
177.05382	1.0
177.09105	6.1
177.12730	1.1
177.16405	3.6
179.10660	8.8
187.14809	2.0
189.16397	1.3
191.10649	3.3
193.12190	2.0
193.15948	4.6
195.10112	5.4
197.11681	1.3
197.13364	1.2
197.18964	2.5
198.64372	1.0
201.12697	1.1
201.16296	2.4
203.17903	1.2
205.15843	2.0
207.06526	1.3
217.15855	1.0
219.21098	3.9
229.15990	1.4
237.22018	2.5
243.21123	4.8
247.16971	1.5
257.22635	2.4
261.22113	3.2
267.21045	2.3
275.23697	3.6
277.21658	1.1
277.25104	1.6
279.23267	5.3
281.17532	1.7
285.22098	4.9
295.26233	2.4
297.24185	1.1
303.23166	22.6
303.26172	0.8
304.23706	1.1
321.24222	100.0
322.24680	2.5
339.25272	91.1
340.25504	2.3
357.26358	47.8
358.26700	1.6
375.27341	3.1
410.97897	0.9
442.80783	1.0
551.69391	0.9
569.29706	1.1
587.29370	1.2
613.61768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02316	0.8
53.03904	2.5
55.01870	3.0
55.05512	6.6
57.03428	3.4
57.07069	5.1
59.04949	2.3
61.02875	1.7
61.71486	0.5
65.03900	1.4
67.05499	13.5
68.99759	0.9
69.03420	13.7
69.07065	35.6
69.07407	1.6
71.04987	4.4
71.08585	1.9
71.61174	1.1
73.02855	1.8
73.06506	0.5
73.56733	0.5
79.05497	7.5
81.03407	6.7
81.07050	39.7
83.04924	2.7
83.08609	11.5
85.02901	20.9
85.06527	4.3
85.10154	0.8
86.09670	1.1
87.00816	7.6
91.03913	0.8
91.05468	5.5
93.07042	26.0
95.04956	5.1
95.08601	36.7
97.02887	7.8
97.06528	7.6
97.10157	3.0
99.04457	3.0
99.08069	1.8
103.03885	2.1
105.01853	4.5
105.06403	0.6
105.07026	10.0
106.40279	0.6
107.04904	2.3
107.08589	36.9
108.08926	0.7
109.02873	7.1
109.06508	5.9
109.10149	44.0
111.07488	0.5
111.08074	4.5
111.11728	6.4
113.05968	0.9
113.09608	1.0
117.06926	2.0
119.04883	0.9
119.08582	13.2
121.06535	3.6
121.10131	18.4
123.08041	2.8
123.11702	14.9
125.05998	4.3
125.09605	1.3
125.13206	0.9
125.71990	0.6
127.03899	10.5
127.07546	0.6
127.11200	3.2
127.11969	0.8
129.01791	0.8
129.06931	0.8
131.08580	4.5
133.06464	1.0
133.10120	11.3
135.08041	6.8
135.11697	17.2
137.05997	3.4
137.09607	15.8
137.13240	5.0
139.07469	0.9
139.11122	1.7
143.07014	6.7
143.08163	0.7
143.08534	0.6
145.02756	0.8
145.04935	3.1
145.10133	4.9
147.04326	0.9
147.07977	2.4
147.11691	7.6
149.05951	0.9
149.08585	0.6
149.09625	8.5
149.13249	7.4
151.07521	0.9
151.11169	12.1
153.09048	2.2
153.12744	16.1
155.10648	0.8
157.10057	1.2
159.02855	3.5
159.08061	3.4
159.11670	4.2
161.06000	0.9
161.09604	6.1
161.13202	2.4
163.07501	1.9
163.11223	3.2
163.14798	3.3
165.09099	11.4
165.12646	1.2
167.06993	1.9
167.09514	0.7
167.10674	8.4
167.14253	1.8
169.12231	4.7
171.10118	1.5
171.11597	0.9
171.13776	5.7
173.09647	2.9
173.13249	3.9
175.11194	3.2
175.14857	2.7
177.09137	5.3
177.12683	1.4
177.16374	3.4
179.07042	0.7
179.10663	8.3
179.17848	0.7
181.04938	1.2
181.12173	0.8
183.11551	0.6
185.13199	1.3
187.11131	1.2
187.14816	2.8
189.12695	1.0
189.16333	1.3
191.10666	2.8
191.17905	0.8
193.12248	2.8
193.15862	3.5
195.06447	0.7
195.10114	3.8
195.17300	1.1
197.11639	1.8
197.13242	0.7
197.18941	1.7
201.12828	0.7
201.16348	2.2
203.14374	0.8
203.17938	1.2
205.15817	1.3
207.06514	1.6
207.13768	1.2
211.14865	0.8
213.03893	0.8
215.14293	0.7
215.20042	1.6
217.15767	0.8
217.19472	0.6
219.13718	0.7
219.20996	3.5
221.15422	0.9
221.18912	0.6
222.04578	0.6
229.15889	1.4
231.04884	0.8
237.22046	1.5
243.21059	3.3
247.17085	1.0
257.22598	1.8
261.22125	3.2
267.21008	1.8
272.06271	0.7
275.23737	3.1
277.21613	1.2
277.25302	2.1
279.23077	5.0
285.22104	4.1
295.26111	3.1
297.24216	1.1
303.23175	23.4
321.24219	100.0
322.24704	1.3
339.25287	92.2
340.25598	1.4
356.02106	0.6
357.26334	45.9
358.26389	0.8
374.28824	0.6
375.27533	3.6
551.28418	0.9
569.29822	1.1
575.37311	0.7
587.30835	0.7
640.25201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01875	4.6
55.05256	1.1
55.05509	17.0
55.08935	0.5
57.03436	9.2
59.05003	0.9
65.03940	1.5
67.05502	23.4
69.03070	0.9
69.03424	12.9
69.07069	6.4
71.01346	1.1
71.04998	6.2
73.02905	1.3
79.05489	21.9
81.03413	100.0
81.07050	28.2
82.03753	0.8
83.04974	18.8
83.08614	25.0
85.02900	23.1
85.06518	2.8
87.04462	0.7
91.05474	28.2
93.07038	16.7
95.04963	28.9
95.08598	10.4
97.02880	12.9
97.06513	4.7
97.10173	7.6
99.04441	3.9
99.08074	1.2
101.02372	0.6
103.05447	1.2
105.04518	0.6
105.07026	21.4
107.04954	7.9
107.08583	10.3
107.73181	0.6
109.02872	16.6
109.06519	6.1
109.10142	3.3
111.04443	13.3
111.08073	11.4
113.05986	2.8
115.05470	1.1
117.07016	3.7
119.04967	1.4
119.08569	19.1
121.06510	4.2
121.10137	11.4
123.04449	1.7
123.08061	2.9
123.11713	2.3
125.06010	0.9
125.09600	4.6
127.03915	8.9
128.27635	0.6
129.05464	2.0
129.07002	10.6
131.04956	1.8
131.08562	13.3
133.06503	3.5
133.10129	10.0
135.08063	1.2
135.11696	3.5
137.05994	2.0
137.09615	2.3
141.07018	0.9
142.07806	2.5
143.08569	1.4
145.06483	0.7
145.10091	3.3
146.56909	0.6
147.04402	1.4
147.08069	3.6
147.11687	17.8
149.05981	1.9
149.09610	6.8
153.12772	2.6
155.08533	1.1
157.10104	13.9
157.11275	0.8
159.08037	1.0
161.06024	1.1
161.09544	0.8
163.11150	5.5
165.09071	0.9
165.12775	4.9
169.10205	0.7
171.11674	0.6
173.04480	2.0
173.05969	0.8
173.09596	1.5
175.11182	14.2
181.12183	3.8
183.06622	0.9
189.05525	0.7
189.11264	1.7
189.12776	1.1
191.10675	3.3
193.12225	41.3
194.12573	0.7
195.13707	0.7
203.97401	0.6
209.11707	0.6
211.13278	69.2
212.13695	0.9
213.12865	0.9
213.14757	0.8
227.12666	6.4
229.14302	2.8
231.13786	1.0
235.13306	1.3
249.14941	2.1
253.14447	0.8
255.13770	1.6
259.13248	0.7
267.15894	23.2
273.14838	3.0
277.14255	1.0
283.15457	2.5
285.16956	14.8
289.14368	1.2
291.15839	0.7
301.14133	5.0
309.16946	1.2
313.16650	1.2
317.65854	0.6
319.15613	2.8
337.16434	3.6
339.23297	0.8
349.21802	0.9
355.17438	7.2
357.24377	1.1
367.22797	2.1
375.17978	2.7
385.23618	3.6
393.18982	3.9
400.43057	0.8
400.55585	0.6
403.24991	1.4
405.24527	0.7
411.20093	8.6
429.21167	5.0
441.26498	0.9
449.29361	0.9
459.27347	12.2
477.28485	16.6
478.28113	0.7
495.29535	20.4
511.28845	2.3
519.29590	1.2
543.29297	0.9
561.30493	1.6
567.29620	0.7
573.30536	1.7
585.30908	4.0
603.31281	4.9
621.32678	14.7
639.33704	55.4
640.33893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01854	2.2
55.05519	3.3
57.03433	3.8
61.02902	1.6
64.51631	0.5
65.03929	0.9
67.05500	20.9
69.03418	3.5
69.07071	3.2
70.59378	1.3
71.04965	2.1
73.02887	0.9
75.47853	0.4
79.05491	12.9
81.03416	23.9
81.07053	32.8
82.07368	0.5
83.04976	5.2
83.08617	2.3
85.02895	5.1
85.06531	2.3
91.03941	0.9
91.04968	0.7
91.05483	9.1
93.07042	20.2
95.01345	3.7
95.04964	9.3
95.08602	17.8
97.02863	2.6
97.06523	3.1
97.10131	0.8
99.04465	0.9
99.08071	0.8
103.03948	0.8
103.05421	1.0
105.07021	7.5
107.04952	18.7
107.08603	7.3
109.02864	4.9
109.06534	3.1
109.10168	2.7
111.04382	0.8
111.08076	3.3
113.05968	0.9
117.07008	6.8
119.04922	2.1
119.08592	4.0
121.05754	0.7
121.06499	7.7
121.10154	3.6
123.04435	3.3
123.08059	11.6
123.11699	0.5
125.05968	0.6
127.03919	4.5
127.04819	0.7
129.06941	1.1
131.04913	2.1
131.08563	7.7
133.06415	1.4
133.10118	5.8
135.04314	0.5
135.08047	2.3
135.11684	15.5
137.05954	1.4
137.09560	0.7
139.07506	0.8
139.11162	1.1
141.06969	3.9
143.08482	1.5
145.06483	9.2
145.10133	4.4
147.04503	0.6
147.11607	0.8
149.09583	1.2
149.13246	10.0
151.07516	0.6
151.11131	1.1
153.09050	0.7
157.10078	0.7
159.08015	2.1
159.11690	18.3
161.09633	0.7
161.13336	0.6
163.11157	1.6
165.05478	0.7
165.09091	1.2
167.07042	1.0
169.10127	6.4
171.11623	0.7
177.05554	0.7
177.12735	11.2
178.13145	0.6
183.06523	1.6
187.11174	15.0
195.13818	6.6
205.12216	6.1
207.06541	0.6
219.10239	0.6
223.13225	3.1
226.54140	0.5
241.14346	17.4
279.15903	100.0
280.16367	2.4
297.16959	68.4
298.17398	1.4
319.22644	0.6
321.17026	1.0
325.16379	2.1
337.23691	1.3
339.18109	1.0
349.16483	0.7
351.17361	0.7
367.17432	4.2
391.25024	0.9
405.19153	5.0
409.25900	4.0
413.22339	0.5
423.20099	8.0
427.26828	1.2
427.32642	0.6
430.73746	0.5
441.21188	82.9
442.21613	2.1
459.22266	36.6
460.22726	1.3
572.39319	0.6
603.26257	1.9
635.13605	0.5
638.21777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
53.71478	0.7
55.01862	1.7
55.05498	3.3
57.03437	14.0
57.07076	26.4
61.02924	52.1
67.05509	6.4
68.99786	0.7
69.03075	1.3
69.03429	19.0
69.07065	6.2
71.01347	2.6
71.04990	2.8
71.08630	18.6
71.36792	1.8
73.02912	17.3
75.04467	1.1
81.02979	1.0
81.03426	16.6
81.07056	12.0
83.01350	1.0
83.04975	2.2
83.08614	8.5
85.02904	60.7
85.09712	1.0
85.10179	10.9
87.04454	2.3
89.06018	1.0
91.03950	37.4
95.08607	14.3
97.02892	53.8
97.10176	3.8
99.04451	8.3
99.11750	1.3
101.02354	4.9
103.03939	8.4
109.02892	10.0
109.10155	8.0
111.04417	1.4
111.11765	0.8
115.03957	5.2
117.05486	2.4
117.09281	0.8
119.08592	1.2
120.68049	0.8
123.11706	4.3
127.03912	24.6
129.05508	4.2
137.06047	0.9
137.13260	1.4
145.03902	1.1
145.04953	12.4
151.14763	1.1
159.06531	3.0
163.05963	4.0
165.16359	1.0
171.06523	2.2
183.06525	12.5
201.07576	7.9
219.08585	1.4
221.22723	1.2
239.23691	19.4
257.24814	2.5
313.27359	100.0
323.25516	1.0
331.28427	1.4
341.26865	4.9
355.28461	4.3
367.28143	1.1
383.28061	1.7
385.29428	2.1
397.29343	1.2
421.29416	1.1
439.30475	3.2
457.31509	14.8
475.32483	1.8
636.75232	0.9
637.38025	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	638.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01870	3.6
55.05507	3.7
57.03423	3.6
57.59161	0.6
61.02888	0.8
63.87984	0.7
65.03929	1.0
67.05496	24.8
68.05132	0.6
69.03432	5.1
69.07055	3.2
69.24578	0.7
70.49072	2.5
70.49434	0.6
71.04972	2.4
73.02912	1.3
79.05051	1.3
79.05479	13.2
81.03411	29.0
81.07048	34.0
83.04973	5.5
83.08601	3.9
85.02905	6.6
85.06516	2.7
91.03937	1.0
91.05463	10.1
93.07031	23.3
95.01306	4.5
95.04961	10.6
95.08599	19.4
97.02882	2.5
97.06516	4.2
99.04426	1.7
99.08065	1.7
101.42154	0.7
103.05477	1.6
105.07015	9.3
107.04944	19.9
107.08587	8.4
109.02869	5.7
109.06494	4.2
109.10146	3.2
111.04401	0.8
111.08067	3.5
117.06993	9.8
119.04906	1.7
119.08575	3.6
121.05736	1.0
121.06506	7.3
121.10147	3.4
123.04434	3.8
123.08047	13.7
127.03895	3.9
128.06258	0.9
129.06947	0.8
131.04918	1.1
131.08559	8.1
133.06473	2.0
133.10124	5.5
135.08026	2.2
135.11665	16.2
137.05949	2.3
139.07664	0.7
141.06946	4.3
141.53845	0.6
143.08516	1.7
145.06468	11.4
145.10094	3.8
147.11662	0.8
149.05981	0.9
149.13255	11.6
151.07428	0.8
154.07767	1.0
157.10092	0.8
159.08034	2.7
159.11670	17.9
161.05992	0.7
163.07523	0.7
163.11195	1.5
165.09071	1.4
167.06995	0.8
169.10133	6.3
177.12730	13.5
183.06528	2.0
187.11160	17.6
195.13794	6.2
205.12195	4.4
223.09656	0.8
223.13110	3.2
241.14331	16.4
279.15884	100.0
280.16177	2.1
297.16937	73.2
298.17279	0.8
321.17081	1.0
325.16476	2.8
331.15326	1.0
337.23511	1.2
339.17896	0.9
349.16364	1.3
367.17499	4.1
405.19022	6.8
409.25787	1.9
423.20108	9.8
427.27432	0.7
441.21164	83.8
442.21497	2.0
459.22205	36.5
603.26068	2.3
638.21570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.74360	0.1
63.93511	0.1
67.05491	0.2
69.03421	0.2
69.07063	1.2
69.45583	0.7
69.46005	0.2
70.06569	0.2
71.04975	0.2
73.02907	0.3
81.07051	0.2
84.08121	0.2
85.02894	0.4
91.05494	0.1
93.07026	0.2
94.06537	0.3
94.63891	0.1
95.04978	0.1
95.08569	0.1
96.04477	0.2
97.02869	0.1
97.06504	0.3
103.05445	0.1
107.08585	0.1
108.04465	0.4
108.08112	0.2
109.02875	0.1
109.10130	0.1
112.07602	0.4
117.06970	0.1
119.04908	0.1
120.08118	0.2
122.06019	0.2
123.04399	0.2
124.07582	0.1
127.03957	0.1
131.07208	0.1
136.07562	0.3
137.05989	0.4
140.07059	2.9
143.08542	0.1
146.05994	0.3
147.06772	0.2
148.07561	2.6
150.05412	0.1
160.07574	0.3
161.05946	0.1
164.07018	0.2
167.07077	0.3
168.06552	2.5
170.09654	0.2
172.07632	0.2
173.07104	0.2
174.05495	0.6
174.07802	0.2
174.09193	0.3
175.08562	0.1
187.08670	0.1
189.07848	0.1
196.11324	0.1
197.10764	0.2
198.09180	0.7
199.08630	2.5
199.12251	0.2
200.09331	0.3
200.10971	0.1
201.10123	0.2
202.08525	0.1
203.09383	0.3
209.08264	0.1
210.09323	0.5
211.08406	0.1
212.09419	0.4
213.10216	0.7
214.10922	0.7
215.11790	0.8
224.10645	0.3
225.10193	2.8
226.08742	0.9
226.10803	0.2
226.12593	0.1
227.08255	1.0
227.11760	1.8
228.12254	0.2
229.13422	0.2
237.10143	0.2
238.08656	0.2
239.11728	0.2
240.08902	0.1
241.09717	0.6
241.13342	0.8
242.10463	0.9
243.11275	1.2
251.11708	0.1
252.10081	0.6
253.13438	0.2
254.11810	0.2
255.11270	11.6
256.11783	0.2
259.14230	0.1
269.09897	0.2
269.12811	3.3
270.11191	0.3
281.12817	0.1
283.06055	0.2
285.12402	0.1
287.13806	0.7
297.12326	4.7
299.13846	0.8
303.05014	0.1
303.13525	0.1
305.14923	0.2
315.13348	100.0
316.13818	2.7
317.14972	0.1
325.07190	0.1
329.06796	0.1
360.13327	0.1
362.75885	0.1
431.07523	0.1
571.40631	0.1
601.26703	0.2
619.27374	0.4
637.28687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92025	0.7
51.13036	0.7
52.28024	0.8
53.03951	4.0
55.01862	4.6
55.05513	17.3
57.03178	1.3
57.03438	16.7
57.06813	1.2
57.07076	11.3
61.02925	56.7
67.05502	6.7
69.03427	25.5
69.07066	26.5
71.01340	2.1
71.04982	2.5
71.08631	6.4
71.60566	1.1
71.60931	0.9
73.02915	18.4
75.04475	1.6
78.65537	0.7
79.05492	4.3
81.03421	17.3
81.07061	7.8
83.01313	1.1
83.04973	3.6
83.08615	23.3
85.02903	67.7
85.10175	2.8
87.04450	2.6
91.03952	38.4
91.05482	1.1
93.07051	4.5
95.04966	2.1
95.08614	6.6
97.02893	56.2
97.06530	2.5
97.10168	20.7
99.04456	11.4
101.02386	6.0
103.03941	8.4
105.07034	1.1
107.08627	3.7
109.02879	12.3
109.06525	0.8
109.10139	3.1
111.04428	2.2
111.08084	1.1
111.11718	6.2
115.03948	3.7
117.05442	2.4
119.08624	1.1
121.10151	5.3
123.11718	1.8
125.13274	1.9
127.03916	28.2
129.05444	6.9
131.08527	0.9
133.10190	0.9
135.08128	0.9
135.11694	4.3
137.13216	1.5
139.11169	1.3
139.14796	1.0
145.04950	18.6
145.10088	0.9
147.06448	1.1
149.13237	1.7
159.06555	3.2
161.04692	0.9
163.06007	6.7
171.06540	1.3
172.95201	1.0
177.16447	0.8
178.63222	0.8
183.06538	12.2
190.96217	1.2
201.07588	9.4
219.08693	1.5
219.21065	5.9
226.22710	0.8
227.61183	0.9
235.20570	1.0
237.22118	23.3
238.22308	1.1
241.07199	1.1
255.23157	2.8
266.09229	1.3
291.23035	1.0
292.77173	0.9
301.20081	2.4
311.25797	100.0
312.26141	3.0
315.03534	1.1
329.26761	1.6
339.25342	6.1
353.26825	7.2
363.25204	0.9
365.26840	1.0
381.26398	2.1
383.27646	1.5
395.27817	2.7
399.27594	1.6
419.27997	2.3
424.21313	0.9
437.28787	4.3
455.30048	21.2
456.30380	1.1
473.19629	2.7
473.31018	7.2
505.81891	0.9
575.25500	1.9
635.26099	1.9
635.35968	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	633.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.05508	9.8
57.03426	2.0
57.07072	2.8
59.04978	1.5
65.03929	2.5
67.05501	17.5
69.03408	4.4
69.07066	12.1
71.04974	2.3
77.03903	1.7
79.05494	13.0
81.03408	7.7
81.07056	30.3
83.04971	10.3
83.08607	4.7
85.02904	4.5
87.04488	1.4
91.05485	15.2
93.07044	19.7
95.04967	5.1
95.08607	34.2
97.02885	2.9
97.06516	2.3
99.04433	2.2
99.08086	6.2
105.07025	22.3
107.08590	20.3
109.02869	1.9
109.06500	3.5
109.10147	19.8
111.08057	1.6
113.09613	2.0
117.06966	5.7
119.08585	62.3
120.08852	1.3
121.10145	12.4
123.08064	3.7
123.11691	9.6
125.09630	2.4
127.03921	2.7
129.06979	2.1
131.08557	9.1
133.10130	77.2
135.08028	2.7
135.11699	24.9
137.09628	19.0
137.13274	1.5
139.11148	2.0
143.08551	4.4
145.10126	9.0
147.07985	1.6
147.11678	10.4
149.13255	3.9
155.08519	1.8
155.10631	2.2
157.10117	3.4
159.11734	5.8
161.13257	4.4
163.11226	1.3
163.14807	2.0
169.10043	2.1
171.11707	3.5
173.13249	5.7
175.14825	100.0
176.15143	1.9
177.16484	1.4
185.13258	2.3
187.14818	2.7
193.15883	29.4
193.17621	1.9
197.13249	1.9
199.14810	1.4
211.16922	10.3
261.22177	4.0
341.24719	1.4
369.24188	1.8
387.25287	4.0
398.25192	1.7
405.26318	3.2
532.75244	1.6
546.93237	1.5
597.41394	3.9
615.42389	10.5
621.64880	1.3
633.43500	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	633.2918
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
67.05484	1.3
69.03377	0.6
69.07047	1.3
70.81113	2.0
71.04954	0.8
79.05459	1.2
81.07019	2.1
83.04956	0.9
85.02876	1.3
87.73944	0.7
89.61181	0.6
91.05421	2.4
93.07017	1.5
94.06537	0.9
95.04944	1.1
95.08567	1.8
102.39974	0.6
103.48075	0.7
105.06995	1.0
107.08549	1.7
108.08121	1.5
109.10087	0.8
119.08505	1.8
120.04431	0.7
120.08066	0.8
121.10109	0.9
122.05267	0.8
122.06024	8.8
124.07582	0.6
131.08479	1.0
133.10056	1.0
136.07574	12.6
137.05945	0.8
140.07028	1.8
143.08563	0.6
145.10056	1.4
146.05942	2.8
148.07564	2.1
157.10014	0.9
172.03885	0.7
172.07643	0.8
173.13181	0.7
174.05487	0.8
174.09129	1.5
181.04785	0.8
186.09193	0.7
188.10712	0.9
189.10335	0.9
199.08611	1.0
200.09337	1.2
201.10254	1.0
204.06422	1.1
209.10727	1.1
211.08665	1.6
213.10269	3.6
223.12256	1.1
225.10194	5.1
226.10852	1.3
227.08115	1.0
227.11717	4.2
235.08594	2.2
236.09468	1.8
237.10211	5.7
238.11064	1.6
239.11786	4.2
241.13139	0.7
249.10255	9.7
250.11151	3.5
251.07977	0.7
251.11812	13.7
252.08958	1.4
252.12469	2.9
253.09660	2.0
253.13348	5.7
255.11235	1.1
263.11844	5.4
264.12622	4.1
265.09683	1.9
265.13309	6.0
266.10327	1.1
266.14099	3.7
267.11237	1.0
267.15179	0.8
269.12799	1.8
271.10715	0.9
277.09668	1.4
278.10464	1.4
279.11295	5.7
280.18243	0.7
281.12881	3.4
282.13644	0.7
283.10712	1.0
283.14255	0.8
284.11545	1.0
285.12283	3.2
287.13870	2.6
291.11383	1.6
292.11877	0.8
293.12543	1.3
295.10812	1.8
296.11563	4.6
297.12262	8.6
298.13162	1.2
309.12314	2.6
310.13135	1.6
311.13974	3.5
313.12045	2.1
316.14456	1.4
317.15775	0.9
323.10217	0.7
324.11002	1.0
325.11868	1.2
326.13431	1.4
327.14517	1.1
328.14771	1.3
329.11554	0.9
329.15280	0.9
330.15967	2.1
331.13077	1.4
331.16791	1.8
337.11777	1.9
338.12494	0.7
339.13663	1.1
340.18158	1.0
341.16028	1.2
342.12222	0.8
342.16061	2.3
343.17270	1.0
344.13910	11.2
344.17661	1.9
345.14621	1.7
345.18393	1.3
346.15695	1.1
354.13156	1.0
356.13904	1.8
356.17838	0.8
357.14557	3.0
358.15421	6.5
358.19205	1.0
359.16391	2.9
360.17114	3.0
361.18015	0.8
368.17569	1.9
369.14450	3.1
370.15506	1.5
371.16208	2.4
372.13068	1.0
372.17075	4.6
373.17819	3.0
374.18719	1.4
375.19238	1.4
376.20236	1.4
384.13956	0.8
385.17758	4.4
386.14163	1.1
386.18661	10.6
387.15869	2.6
388.20328	2.0
389.61890	0.8
396.17120	1.2
399.15967	0.9
400.16534	1.7
401.17319	1.1
404.19769	1.3
414.18097	13.9
415.17560	0.7
416.19855	1.5
417.16751	1.1
418.17514	1.7
420.19174	1.3
428.34726	0.7
428.40588	0.7
432.19189	64.1
433.19861	4.3
442.17584	2.3
460.18619	11.8
461.18936	1.0
492.21289	100.0
493.21701	1.3
555.25879	1.2
557.27435	0.9
573.27100	31.0
583.25281	1.4
601.26520	31.6
633.29144	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.5
57.03434	13.2
57.07059	9.6
67.05482	35.5
69.03403	15.0
69.07056	30.2
71.60171	12.4
79.05479	33.6
81.03402	13.7
81.07058	63.1
83.04974	13.9
83.08611	21.8
91.05462	25.5
93.07034	39.8
95.08575	69.4
97.10145	9.9
105.07004	33.9
107.08549	52.7
109.06469	12.7
109.10146	100.0
117.06990	8.8
119.08563	60.0
121.10119	31.3
123.08031	13.9
123.11687	7.1
131.08528	17.3
133.10112	55.3
135.11679	85.3
145.10072	12.4
147.11696	24.6
149.13263	13.0
151.11168	11.7
165.16345	8.1
173.13348	10.0
175.14816	64.6
191.14319	13.9
193.15828	48.5
207.17776	7.5
211.16864	92.9
273.22107	7.5
404.20026	8.3
615.42682	11.4
624.25946	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	633.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	0.8
69.06942	2.0
70.22674	1.8
79.05376	0.7
81.03295	0.4
85.02797	0.9
91.05385	0.8
93.06966	0.7
94.06416	2.5
95.04830	1.1
98.20815	0.6
105.06914	0.5
106.06458	1.0
108.07957	1.4
109.06430	0.6
112.07473	0.6
118.06395	0.8
120.04365	0.8
120.07968	1.4
121.02768	0.7
121.05096	0.6
121.09989	0.6
122.06026	11.9
123.04317	0.9
124.07458	0.6
134.05881	1.7
136.07570	13.1
138.05374	0.7
140.07056	15.3
144.04376	1.0
146.05989	8.8
146.09554	1.2
147.06638	0.7
148.07567	9.1
150.09016	0.8
152.07040	3.6
152.84392	0.6
162.05411	1.2
164.07059	13.8
165.01703	0.8
166.08623	12.0
172.03918	7.7
173.04558	0.7
174.05499	6.1
174.09012	1.0
176.07057	17.3
183.02716	0.7
190.04977	3.5
191.05638	1.1
192.06470	1.1
198.11429	0.7
200.32237	0.5
204.06517	9.7
206.08105	2.6
208.09592	1.3
209.10643	1.2
210.11336	1.6
211.12184	1.7
212.12892	0.6
216.10066	0.5
218.08134	0.9
221.10631	0.9
222.11339	1.0
223.12325	2.4
224.09384	1.0
224.12938	1.5
225.10236	3.5
225.13733	1.1
226.10847	0.7
227.11610	1.4
229.13257	0.9
235.08539	1.2
235.12199	3.3
236.12981	1.2
237.10144	8.6
237.13805	2.3
238.10965	10.7
239.11748	13.8
241.09520	0.6
243.11171	0.6
246.07552	1.4
247.12405	0.8
248.09396	2.3
249.10165	4.7
250.10912	3.5
251.11768	9.9
252.12434	1.2
253.13333	3.3
255.11229	1.3
261.09943	0.7
261.12329	2.0
262.10913	1.1
263.08890	1.1
263.11774	15.2
264.08862	2.4
264.12457	3.0
265.09702	6.6
265.13287	25.4
266.10501	2.1
266.13998	1.1
267.11206	4.0
268.12048	0.8
269.12811	1.9
270.13440	0.5
271.11307	0.9
271.14371	8.0
275.11697	1.7
277.09647	3.2
277.13315	2.6
278.10464	4.2
279.11246	100.0
280.11966	7.6
281.12854	4.3
282.13602	1.0
283.05994	43.3
283.10532	2.4
283.14371	2.5
284.06296	1.2
284.11548	1.0
285.12170	3.5
287.13843	8.0
289.15387	1.7
291.11212	4.9
292.12006	1.8
293.12793	5.3
294.10297	0.5
294.13605	1.4
295.10748	5.4
295.14368	2.5
296.11661	3.1
297.12311	57.1
298.13019	7.1
299.13989	1.8
303.11090	0.8
307.10800	0.7
309.12317	38.7
310.13098	18.6
311.13788	4.2
313.11737	5.3
315.13452	1.6
319.10645	4.5
320.11758	0.6
321.12314	10.9
323.10333	1.3
324.11050	2.9
325.07492	1.0
325.11807	5.4
326.12714	0.7
331.12845	3.7
337.08459	0.5
337.11792	58.6
338.12567	20.6
339.13312	74.9
340.14151	3.0
341.14789	0.9
345.14456	3.4
347.16229	0.7
367.11874	2.4
369.14459	13.0
370.15622	2.4
371.15988	35.0
372.16837	1.5
385.13181	4.1
386.15338	0.6
392.19904	1.3
399.15814	0.9
400.16714	3.0
401.17242	1.1
402.18332	1.1
418.17776	1.8
424.16821	0.8
434.20776	0.7
437.19290	0.9
438.20349	4.3
442.17398	3.3
450.20108	1.1
460.18631	55.6
461.18826	2.7
464.18549	1.6
465.19073	1.3
466.19928	1.6
478.19696	44.4
479.20267	3.3
480.21216	8.7
492.21552	1.2
496.20874	3.8
510.22369	20.6
511.23212	1.4
583.25482	2.8
601.26520	60.4
633.28650	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	633.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01929	0.4
55.05571	0.4
57.03479	0.5
58.45041	0.2
65.04018	0.2
66.67036	0.2
67.05553	0.4
69.03502	0.6
69.07146	0.8
70.06665	0.2
71.05071	0.3
71.60939	0.4
73.02968	0.4
79.05566	0.4
81.03503	0.5
81.07144	0.7
81.20072	0.2
83.05042	0.2
84.08199	0.4
85.02991	0.8
91.05544	0.5
93.07137	0.7
94.06622	0.5
95.05023	0.3
95.08678	0.4
97.02967	0.5
101.07204	0.5
105.07104	0.5
107.05014	0.3
107.08675	0.5
108.08127	0.2
109.03001	0.3
109.10244	0.4
113.06019	0.3
119.05016	0.6
119.08654	0.4
121.02861	1.4
121.10235	0.3
122.06026	1.7
125.06057	0.3
125.09607	0.2
127.03975	0.4
131.05013	0.2
131.08626	0.2
133.10222	0.2
136.07555	2.2
137.02405	0.4
137.06065	0.8
140.07059	2.4
141.01802	1.0
143.08653	0.3
146.05978	1.7
146.09688	0.3
147.04512	0.2
148.07600	1.5
149.06033	0.4
151.03970	0.2
152.07182	0.8
155.08522	0.3
161.06029	0.4
161.09654	0.2
164.07080	1.9
165.01811	2.2
166.08623	1.4
167.07045	1.7
172.03992	0.8
174.05574	0.9
176.07065	2.6
177.05450	0.2
179.06720	0.2
181.04985	0.3
183.02888	2.3
184.29460	0.2
190.05020	0.6
192.06606	0.3
201.05537	0.3
204.06604	1.4
206.08197	0.5
208.07784	0.2
208.09711	0.5
209.08186	0.3
211.12468	0.3
212.04880	0.2
221.10864	0.3
223.12383	0.3
224.09425	0.2
225.10326	0.5
227.07106	0.3
227.11707	0.4
229.04980	0.5
235.12364	0.6
237.10316	0.9
238.10912	1.8
239.11789	2.0
248.09526	0.3
249.10100	0.5
250.11078	0.9
251.11757	1.8
252.12575	0.5
253.08795	0.2
253.13461	0.7
255.06540	1.1
261.12405	0.5
263.11853	2.5
264.08566	0.3
264.12527	0.4
265.05042	0.2
265.09753	1.1
265.13354	4.6
266.10727	0.4
266.86798	0.2
267.11310	0.7
269.12817	0.3
271.14499	1.1
275.11642	0.3
277.09549	0.6
277.13458	0.5
278.10626	0.6
279.11261	15.5
280.12030	1.4
281.08090	0.5
281.12839	0.6
283.06003	100.0
284.06433	1.3
284.11261	0.3
284.14169	0.2
285.12274	0.4
287.13867	1.6
291.11261	0.9
292.11966	0.3
293.12900	1.3
295.10751	1.6
295.14023	0.3
296.11691	0.6
297.12332	9.6
298.13058	1.1
299.13855	0.3
303.19321	0.2
309.12332	5.4
310.13043	2.7
311.13736	0.9
313.11438	0.9
315.13324	0.3
319.10672	1.1
321.12408	1.6
323.13870	0.3
324.11041	0.6
325.11795	0.9
331.12888	0.6
337.11813	11.1
338.12613	3.5
339.12433	32.1
340.13452	0.5
345.14453	0.4
355.11871	1.1
369.14459	2.4
370.14435	0.4
371.15985	5.5
378.18079	0.2
400.16440	0.5
414.89499	0.2
418.17410	0.2
438.19952	0.8
442.17142	0.6
460.18686	10.2
461.19598	0.5
464.17944	0.3
465.18616	0.5
466.19385	0.5
471.29312	0.5
478.19733	7.5
479.20081	0.4
480.21173	1.6
496.20282	0.6
510.15118	0.3
510.22232	4.3
547.33557	0.2
583.24823	0.5
589.33911	0.4
601.26569	11.7
633.33142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21582	0.7
55.05492	0.7
67.05497	1.7
69.03410	1.3
69.07060	1.2
71.63387	1.3
79.05494	0.9
80.43547	0.8
81.07043	1.4
85.02901	1.7
91.05466	2.1
93.07029	1.8
93.07620	0.9
94.06553	1.1
95.08620	1.0
103.05472	0.9
107.04910	0.8
107.08605	1.4
108.08096	1.8
119.08529	0.8
120.08044	0.8
121.10152	0.9
122.06055	6.3
123.08107	1.2
127.03888	1.1
134.05984	0.9
136.07568	6.1
140.07047	1.7
146.05933	1.0
148.07547	1.2
173.13329	0.9
173.30547	0.9
174.09108	1.2
176.07025	1.0
201.96814	0.9
204.06496	1.7
211.08595	1.5
213.10367	1.6
213.74820	0.8
214.30984	0.7
223.12227	0.9
225.10184	3.2
226.10915	0.9
227.11685	3.8
235.08643	2.1
236.09355	1.4
237.10191	3.9
238.11032	1.5
239.11806	2.1
241.09718	1.3
248.09517	1.0
249.10173	7.2
250.11058	3.2
251.11774	10.2
252.12651	2.2
253.09706	1.9
253.13327	3.4
263.11758	6.2
264.12491	2.9
265.09921	2.1
265.13336	6.0
266.14111	3.2
267.11450	1.8
267.14780	1.5
269.12817	1.5
277.09644	1.3
279.11307	3.1
281.12894	2.4
285.12537	1.8
287.13980	4.1
291.11322	1.1
293.12643	1.3
295.10757	1.3
296.11624	2.5
297.12335	5.6
298.13321	1.2
301.13177	1.0
309.12314	4.2
310.12961	1.7
311.13843	2.9
315.15042	1.0
316.14606	1.1
325.11765	2.5
329.15897	1.2
330.12512	1.1
330.16135	2.5
331.13223	1.0
337.11853	1.5
339.13718	1.0
342.16202	1.6
344.13916	6.1
344.17715	2.3
345.14630	1.3
346.15576	1.0
356.13919	2.1
357.14655	2.4
358.15436	4.1
359.16284	2.5
360.17010	2.6
368.17435	1.0
369.14432	2.0
371.16476	1.4
372.17038	3.7
373.17581	1.5
374.18558	1.1
376.20093	1.0
385.17987	1.6
386.18619	7.9
387.15836	1.8
388.20444	1.1
396.16904	1.3
399.15918	1.4
400.16412	1.9
404.19586	1.4
410.98697	0.8
414.18063	12.0
419.18207	1.2
432.19171	52.5
433.19958	3.9
442.17542	1.9
450.19974	1.1
460.18558	9.2
492.21252	100.0
493.21515	2.5
508.20547	1.6
531.28015	0.9
555.25458	1.0
573.18420	1.4
573.26947	22.2
601.26532	21.1
633.29150	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	633.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.3
68.99844	0.2
69.03438	0.1
69.07098	0.2
70.28240	0.1
71.10413	0.3
73.02959	0.3
81.03468	0.2
81.07093	0.1
85.02950	0.2
91.05519	0.4
95.08682	0.2
97.02924	0.2
105.07080	0.2
107.08656	0.1
108.08157	0.1
119.04996	0.3
120.41628	0.1
121.02855	1.5
122.06032	0.6
136.07556	1.0
137.02390	0.5
137.06013	0.1
140.07036	1.1
141.01788	0.7
146.06021	0.7
148.07625	0.4
152.07097	0.2
164.07025	0.8
165.01799	1.8
165.03001	0.1
166.08629	0.7
171.08131	0.2
172.03960	0.5
174.05539	0.3
176.07050	1.2
181.06497	0.2
183.02887	1.7
183.04262	0.2
190.04988	0.3
199.07506	0.2
204.06601	0.6
206.08205	0.2
211.12213	0.2
225.10225	0.2
227.06982	0.2
227.11665	0.1
229.05110	0.3
235.12450	0.2
237.10229	0.5
237.13919	0.2
238.10974	0.6
239.11668	0.6
248.09473	0.2
249.10347	0.3
250.10983	0.1
251.11815	0.6
255.06529	1.1
261.12247	0.2
263.11765	0.8
264.08899	0.2
264.12622	0.2
265.05084	0.2
265.09726	0.3
265.13348	1.6
267.11288	0.5
271.06018	0.4
271.14383	0.4
277.09482	0.2
279.11249	6.1
280.12003	0.5
281.12692	0.3
283.05988	100.0
284.06329	1.7
285.12555	0.2
287.13736	0.6
289.15347	0.2
291.11276	0.2
293.12909	0.5
294.13766	0.2
295.10693	0.3
295.14154	0.2
296.11707	0.2
297.12292	3.7
298.13113	0.5
299.13770	0.2
309.12274	2.0
310.13165	1.0
311.13794	0.2
313.07144	0.2
313.11807	0.5
319.10693	0.2
321.12375	0.8
322.12894	0.1
324.10913	0.2
325.07294	0.2
325.11719	0.4
331.12665	0.3
337.07834	0.3
337.11826	3.7
337.15790	0.1
338.12653	1.2
339.12286	31.4
340.12668	0.4
345.14407	0.2
367.11865	0.3
369.14536	0.9
371.15970	2.1
385.12952	0.4
400.16440	0.3
401.17328	0.1
418.17377	0.2
438.20590	0.3
442.17401	0.3
460.18658	3.7
461.19153	0.1
478.19727	2.7
479.20163	0.3
480.20926	0.5
492.21115	0.2
496.19891	0.2
501.17172	0.2
510.22324	1.1
510.81830	0.1
511.23083	0.1
583.24805	0.2
601.26495	4.9
633.20026	0.3
633.28925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.8
57.07072	2.0
61.87575	1.0
67.05513	5.4
67.63750	0.9
69.03428	7.1
69.07064	4.7
70.79547	2.4
70.79894	1.1
79.05485	5.9
81.03428	1.8
81.07065	12.2
83.04971	4.0
83.08576	1.4
91.05473	6.0
93.07056	6.0
95.04940	2.0
95.08609	6.5
97.02907	1.3
97.06523	0.9
99.08066	1.7
105.07040	8.8
107.04946	2.3
107.08589	24.6
109.06506	5.2
109.10153	10.4
115.05390	1.8
117.07001	2.4
119.06055	1.0
119.08572	4.4
121.10142	14.7
122.07292	4.8
123.08086	2.5
123.11729	1.2
125.09631	2.4
131.08546	3.8
133.10130	100.0
135.08046	12.3
135.11699	2.7
137.09612	51.3
139.11128	1.0
143.08556	1.2
145.10123	3.0
147.11708	4.6
149.09619	2.8
149.13242	12.6
151.11186	15.8
158.10867	2.0
163.14845	4.2
165.12712	1.7
173.13289	9.3
191.14304	59.4
209.15363	17.8
239.48340	1.0
244.65358	1.1
261.22034	0.9
279.43710	1.0
409.08984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.06821	2.4
57.07074	30.1
60.86256	1.2
67.05499	1.9
69.07053	4.2
70.77035	2.4
71.08630	45.5
73.06549	9.1
81.07029	2.7
83.08594	1.8
85.02895	1.3
87.04460	9.2
89.06027	100.0
91.05483	1.7
93.07018	2.6
95.08623	1.5
98.12001	1.1
102.07173	1.2
103.05436	1.5
105.06994	1.5
107.07041	4.5
107.08620	1.8
113.13269	3.1
117.09138	9.7
119.08602	1.5
121.10165	1.9
129.99652	1.4
130.08615	5.7
131.07022	2.8
133.08594	51.2
135.10207	1.5
157.10037	1.5
157.15887	8.2
161.11765	2.6
172.95232	4.9
177.11229	23.2
190.96280	4.5
198.18533	3.6
201.18500	14.9
221.13872	5.0
221.29344	1.4
239.14847	1.9
245.21147	10.1
283.17496	2.9
316.99704	1.9
317.17831	1.8
453.17209	1.9
471.18015	7.1
494.19702	1.6
503.30124	1.4
615.43182	7.9
632.45313	4.6
633.23505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09729	0.8
51.18541	0.8
52.57978	0.6
53.48065	0.7
55.01862	1.0
55.05502	0.8
57.67625	0.6
61.68119	0.8
66.32012	0.7
67.05482	2.8
69.03423	1.5
69.07069	3.6
69.65255	5.9
79.05481	1.6
81.03413	1.4
81.07043	2.0
83.04972	1.1
85.02892	1.9
91.05485	2.2
93.07034	1.5
94.06556	5.2
95.04955	2.3
95.08568	1.0
97.02840	1.1
97.06537	0.8
98.20737	1.2
103.05439	1.2
105.07015	2.3
107.04970	1.1
107.08580	1.2
108.08129	1.6
109.02887	0.8
109.06549	0.9
109.10175	1.0
111.14354	0.7
112.07615	1.8
115.05386	0.7
116.04974	0.7
117.07069	1.0
118.06551	1.0
119.04900	0.7
120.08122	0.8
121.06564	0.9
121.10156	1.6
121.71427	0.6
122.06026	16.8
123.04438	2.0
123.08105	0.8
124.07590	9.4
125.06002	0.8
127.03892	1.1
130.06519	0.7
131.04955	1.1
131.08566	1.1
133.10135	1.2
134.06000	1.8
135.04358	0.8
135.08063	1.2
136.07564	1.2
137.05980	4.6
139.03854	0.9
140.07057	27.0
144.04454	2.0
145.02739	0.8
145.06410	1.1
145.10146	1.2
146.05983	12.7
147.04390	1.2
147.06812	0.9
147.11682	0.8
148.07539	1.9
149.05943	0.8
151.52280	0.7
157.10127	1.0
159.11746	0.9
160.07440	0.8
161.05975	2.5
162.05522	2.1
163.03882	0.7
163.06305	1.0
163.07555	1.7
163.11227	0.8
167.07068	2.9
167.08447	0.7
172.03922	16.8
172.07617	1.0
173.04662	0.9
174.05501	17.7
176.07076	8.3
177.05521	1.7
181.04991	1.4
182.09689	1.0
185.05901	0.9
186.94792	0.8
190.04961	3.5
191.03352	1.0
191.05762	3.4
192.06555	2.6
195.08104	1.0
197.10783	1.5
199.12326	1.3
201.05394	1.0
204.06549	33.2
205.06943	1.1
206.08127	12.2
206.94688	0.8
209.07933	0.7
209.10883	1.0
211.08728	0.9
212.09482	1.5
213.10287	1.2
221.05980	1.1
224.09293	1.5
225.10248	5.9
226.10902	0.9
227.11797	11.0
236.09499	0.8
237.10201	2.1
238.10966	1.6
238.22496	0.8
239.11725	3.8
241.09657	1.0
241.13448	1.4
243.11290	3.3
244.03830	0.7
249.10394	1.9
251.08141	0.7
251.11765	2.9
253.09698	2.1
261.12405	2.1
263.08142	1.1
263.11734	1.3
264.08990	1.2
265.09784	3.3
267.11304	1.6
269.12793	9.8
271.06241	0.8
271.10669	3.5
277.09872	1.3
279.11276	2.0
281.09036	0.8
283.10767	8.8
284.11453	4.0
285.12280	6.5
287.09470	2.1
287.13867	24.2
295.10498	1.9
297.12439	7.4
300.12216	1.0
301.11987	3.5
302.12967	0.9
303.13416	11.4
309.12375	1.6
310.13470	0.7
312.15167	1.2
313.11786	25.2
314.12674	2.2
315.10352	0.7
315.13531	4.9
316.14459	4.7
323.10138	1.7
324.10950	1.2
326.16757	1.2
327.13757	1.1
327.17593	0.9
328.14630	1.9
329.11551	2.9
329.15250	3.6
330.12311	3.3
330.16077	4.2
331.12909	12.1
331.16837	6.7
332.17493	1.4
337.11694	1.6
340.14777	1.0
342.12460	3.5
342.16235	1.1
343.13251	2.8
344.13824	1.4
344.17575	2.8
345.14435	13.2
345.18280	1.1
346.15417	1.3
347.16327	0.9
354.12173	1.1
354.16226	0.9
356.13922	4.1
357.14996	2.6
358.15451	7.7
360.17004	1.0
363.15417	2.0
369.14841	1.3
370.11554	1.2
370.15573	3.4
372.13257	1.7
372.17328	2.8
374.14963	1.3
374.19150	1.0
380.14212	1.2
382.11862	2.4
383.12851	2.0
384.13345	10.0
384.17529	1.0
385.13907	3.4
386.14703	5.5
386.18500	1.3
387.16010	2.0
388.16553	2.5
390.18097	5.3
398.14981	11.6
399.15768	17.7
400.16550	24.1
402.14352	2.2
404.15958	0.9
406.17596	1.4
412.16397	1.7
414.18823	3.8
415.14447	3.8
415.19888	1.1
416.16025	5.4
417.16873	5.3
418.17627	8.7
430.17542	3.6
431.18399	2.1
440.16068	3.5
442.17352	1.2
444.15424	1.0
446.17169	1.3
458.17075	27.1
459.17807	13.8
460.18698	2.7
474.16718	5.8
475.17300	2.0
476.17892	1.9
490.19861	3.3
491.20667	3.6
508.20517	1.2
510.22461	0.9
545.32672	1.8
555.25586	1.5
557.24048	4.0
581.23798	6.7
587.33673	3.7
599.24969	100.0
600.25171	3.7
631.15955	0.9
631.33728	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	630.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
53.60955	0.7
55.05515	2.1
57.03439	1.1
66.32802	0.8
67.05499	5.7
69.03416	2.1
69.07067	4.8
70.60236	3.1
71.04990	7.9
76.09412	0.8
79.05504	4.1
81.07050	14.6
83.04984	6.4
83.08611	2.7
85.02911	9.6
85.06533	4.6
91.05473	3.2
93.07034	16.2
95.04957	4.2
95.08602	18.8
97.02895	1.4
97.06520	11.8
99.04453	9.8
105.07029	11.2
107.04927	2.7
107.08591	10.8
109.02802	1.0
109.06506	12.2
109.10148	3.4
111.08076	7.7
113.06010	3.0
117.05477	1.3
119.08574	7.8
121.06499	37.0
121.10137	2.3
123.04422	1.3
123.08072	2.4
123.11716	4.1
125.05994	8.0
127.03913	1.3
127.07529	5.0
129.05457	1.7
129.07016	1.6
131.08583	2.1
133.06432	1.6
133.10109	8.9
135.04416	2.1
135.08029	4.5
137.05984	3.0
139.07536	10.9
141.05496	1.6
143.07060	6.2
143.08539	2.6
145.04970	1.6
145.10089	2.8
147.08086	1.4
147.11678	22.7
149.13269	1.8
151.03951	0.9
151.07549	1.0
151.11153	2.3
152.07065	2.8
157.08705	6.5
157.09979	5.9
159.06516	6.3
161.13264	5.6
163.14748	1.0
165.12724	7.0
169.12236	8.2
171.11662	9.5
173.09674	1.1
174.97827	0.8
175.11182	18.1
181.10075	2.9
189.12746	10.7
192.03838	0.9
193.12250	16.4
199.11156	13.8
203.23569	0.9
207.13783	7.6
211.13283	16.3
217.12225	44.7
225.14818	1.2
229.14348	7.7
235.13280	56.2
253.14337	100.0
254.14650	1.7
257.58008	0.9
271.15387	36.9
283.52399	0.9
284.06580	1.3
289.16437	58.2
303.05060	5.0
314.07666	0.9
334.06073	1.4
345.45047	1.0
377.01736	3.5
395.02957	1.4
395.28110	1.0
396.28229	3.2
414.29291	1.7
484.11551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84494	0.6
57.07069	5.8
58.06606	1.8
65.40161	0.6
70.06593	16.2
70.60100	1.7
71.08642	1.6
85.10181	0.9
88.07632	18.3
93.07005	0.7
95.04991	0.7
102.09179	12.9
103.05466	0.6
119.86618	0.6
131.04948	0.9
147.04393	0.6
149.01146	1.5
149.02342	29.7
175.03973	0.9
177.05519	0.8
184.20720	0.7
193.04961	39.8
195.07980	0.7
219.06686	1.0
225.05458	0.8
228.23219	39.9
229.23526	0.8
237.07567	10.2
269.04581	0.8
272.25766	1.4
278.87906	0.7
297.04007	1.7
299.09323	0.8
313.07135	2.4
323.32916	0.7
333.17215	0.8
341.06607	7.8
359.07544	4.7
361.37411	0.6
385.09164	17.9
429.11826	24.7
430.12299	1.4
540.78955	0.8
570.26971	1.4
575.30756	0.7
630.32703	100.0
631.17706	0.8
631.32977	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	629.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05500	3.4
60.75137	1.0
67.05494	3.4
69.03412	5.4
69.07059	2.2
70.47496	1.1
79.05496	11.6
81.07032	3.0
83.04977	4.5
91.05470	2.7
93.07035	3.8
95.04971	4.5
95.08595	2.8
103.05457	3.1
105.07022	9.2
107.08591	8.0
107.98984	1.1
109.06524	1.6
109.10165	2.0
117.06944	1.1
119.08586	5.7
121.06496	6.4
121.10127	5.2
123.08093	2.2
123.11690	1.0
129.06999	1.2
131.08566	3.9
133.06479	100.0
133.10104	4.8
135.08047	4.8
135.11644	2.5
143.08545	2.5
145.10117	3.0
147.08009	1.9
147.11664	3.8
149.13194	1.1
161.09631	2.1
163.11151	8.7
163.14771	1.3
171.11678	1.3
173.13281	3.6
188.25481	1.1
189.12717	20.1
191.14296	37.8
191.16037	1.8
207.13799	24.4
449.33908	1.5
550.56641	1.1
571.58746	1.4
611.45483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.44257	0.7
55.01869	1.6
55.05516	2.9
57.03423	2.0
57.07048	1.1
58.67758	0.8
62.39371	0.9
66.48660	0.9
67.05502	5.2
67.08898	1.0
69.03426	4.0
69.07054	5.5
71.04981	10.6
71.58262	0.9
74.28665	0.9
79.05489	5.5
81.07050	17.0
83.04979	8.1
83.08611	2.1
85.02892	13.4
85.06518	6.5
91.05476	3.7
93.07030	19.8
95.04978	6.7
95.08600	21.6
96.08965	1.1
97.02872	2.3
97.06519	14.1
99.04438	12.1
101.06055	1.0
105.07019	13.8
106.93890	0.8
107.04890	1.5
107.08591	11.7
109.06509	14.9
109.10151	4.3
111.08067	7.6
113.06001	3.1
114.93219	0.9
115.07642	1.2
117.05482	1.3
117.07085	1.5
119.04925	1.6
119.08576	8.8
121.06494	39.1
121.10153	5.0
122.06832	1.1
123.04414	2.0
123.08082	2.9
123.11714	3.1
125.05966	7.8
127.03938	1.5
127.07574	4.8
129.05493	2.1
129.07021	1.5
131.08525	2.3
133.06454	2.1
133.10121	9.1
135.04402	2.2
135.08070	5.9
135.11711	1.3
137.05974	3.8
139.07509	11.0
141.05469	1.4
142.07721	1.4
143.07042	5.7
143.08562	2.6
145.04990	1.0
145.10126	3.4
147.08099	1.5
147.10489	1.4
147.11674	25.0
149.09625	1.0
149.13217	3.0
150.95848	0.9
151.07542	1.4
151.11151	3.1
152.07063	2.7
153.09094	0.9
157.08691	7.3
157.10130	6.8
158.99812	0.9
159.06520	9.7
159.07773	1.4
161.05884	1.1
161.13261	5.4
163.14761	1.2
165.12744	8.0
166.07747	1.5
169.12221	9.1
171.11700	7.7
173.09677	1.2
173.13339	1.1
175.11176	15.9
181.10155	3.2
189.12721	13.6
193.12206	16.1
199.11186	16.1
199.12859	1.6
207.13777	8.9
211.13269	16.6
217.12227	45.0
225.14885	1.1
229.14304	6.5
235.13275	53.5
236.13538	0.9
246.37137	0.9
253.14343	100.0
254.14790	1.6
271.15381	34.3
283.05545	1.1
289.16428	57.3
303.04996	9.2
334.06161	2.5
337.42130	1.0
344.92200	0.9
353.61176	0.9
377.01859	7.2
378.27328	1.1
395.02881	4.1
395.27872	1.6
396.28287	3.2
398.09500	1.0
414.29065	1.9
484.11606	1.3
618.21198	1.0
649.10358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.224
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.21505	0.9
65.84203	0.8
66.18739	0.9
67.05499	1.4
69.52095	7.7
73.55978	0.8
81.07037	1.4
86.39949	0.9
93.07020	1.3
98.21442	2.2
195.13463	1.0
396.12128	1.0
397.12982	1.7
399.14386	2.2
400.15305	1.1
410.13751	3.4
411.14587	7.5
412.15283	4.2
413.16068	3.8
423.14606	1.8
424.15775	2.4
425.16254	14.8
426.16788	10.2
427.17606	3.7
428.18286	3.6
438.12820	2.5
439.13559	19.2
440.18994	9.9
441.19263	42.9
442.19711	2.6
449.16519	1.1
452.14941	4.2
453.15305	25.2
454.15887	4.9
456.17929	1.4
466.12604	1.5
467.17175	24.6
468.17990	18.7
469.18890	11.5
471.16898	2.2
472.17188	1.4
481.14771	12.4
482.15469	1.7
484.21783	4.9
485.18469	3.7
486.19400	1.2
494.17972	1.5
495.16205	1.6
495.20709	1.6
496.17239	13.3
497.17712	1.9
500.21036	4.6
508.19714	1.5
509.18338	2.1
512.20490	2.9
513.21289	4.2
522.17828	1.3
523.19537	1.9
526.18768	1.3
527.19495	1.2
541.20831	52.1
542.21051	2.9
569.20258	91.0
570.20642	5.6
572.19196	1.7
573.23175	2.8
597.19690	29.4
601.22992	15.3
615.20941	2.8
629.22308	100.0
630.22644	5.2
647.23993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	1.1
53.03933	3.7
55.01867	5.6
55.05507	24.3
57.03431	28.2
57.07068	2.8
57.75687	1.3
65.03922	2.4
67.05499	62.8
69.03411	1.7
69.06709	2.3
69.07064	24.7
70.04633	5.5
71.04977	3.9
79.05487	51.8
81.03423	1.6
81.07050	70.4
83.04983	3.7
83.08614	15.0
85.06531	5.3
91.05475	43.4
91.95937	1.2
93.07036	51.9
95.04957	9.1
95.08595	57.5
97.06513	9.3
97.10159	7.1
98.54642	1.2
99.08089	12.1
103.05392	1.5
105.07021	46.5
107.04956	2.8
107.08588	36.9
109.06527	6.0
109.10148	23.9
109.10825	2.2
111.08081	4.5
111.11687	1.3
113.09660	5.0
115.05452	1.7
117.07006	19.2
119.08573	42.0
121.06490	2.1
121.10129	24.2
123.08076	4.4
123.11700	7.0
125.09598	6.1
128.06226	3.0
129.06992	13.3
130.07767	2.0
131.07581	1.9
131.08565	36.3
131.09509	2.4
133.09129	2.1
133.10121	34.4
135.08044	3.9
135.11688	16.4
137.09618	3.5
137.13257	1.6
139.11234	2.9
141.06973	5.3
142.07785	4.0
143.08551	21.1
144.09305	1.5
145.10118	36.9
147.08018	1.3
147.11685	22.0
149.09602	9.6
149.13226	6.9
151.11194	3.2
155.08540	9.6
156.09337	1.8
157.10118	19.8
157.11327	2.1
159.11681	33.9
161.13231	9.8
163.11197	5.2
163.14848	3.3
167.08632	2.0
168.09335	1.6
169.10103	16.1
170.56268	1.3
171.11653	18.1
173.13251	17.3
175.11140	1.8
175.14871	4.3
177.12724	2.1
177.16388	1.4
179.14262	1.2
181.10138	7.0
183.11688	12.9
185.11661	1.3
185.13234	22.5
187.14778	10.9
189.12733	1.2
189.16351	2.1
191.14253	1.9
195.11665	7.5
197.13217	12.8
198.00035	1.4
199.14821	9.3
201.12613	2.2
201.16353	6.3
203.14368	9.2
205.15892	4.4
209.13153	6.4
211.14841	8.7
213.16461	5.2
215.17929	2.7
219.17432	12.3
221.13309	2.3
223.14771	6.7
225.16406	5.1
227.12798	1.8
227.18007	2.8
229.19536	2.4
233.13237	1.4
235.14595	1.4
237.16434	2.9
239.14134	1.7
239.17978	6.4
241.19548	4.1
243.17612	1.2
247.20547	2.3
251.17953	1.3
257.18948	10.4
259.20682	4.4
261.18427	1.1
261.22278	3.1
271.20584	1.4
273.18784	1.2
273.22095	1.3
275.20056	36.2
277.21765	3.0
283.20508	1.9
285.22220	2.1
293.21170	1.9
295.20352	1.9
297.22180	2.2
299.23721	1.4
311.23914	1.9
313.21561	1.6
313.25317	1.3
315.23074	1.6
317.24570	1.1
325.25412	2.2
327.23462	1.3
331.22647	1.8
333.24265	4.1
335.25833	31.0
349.23621	16.0
351.25528	2.5
367.26245	1.4
423.32559	2.1
463.36011	2.3
469.00488	1.4
501.35751	1.7
515.37225	1.9
517.40417	6.8
535.41418	10.9
537.39734	2.2
553.42505	5.5
555.40509	22.7
584.18805	1.3
591.44147	4.9
609.45044	58.7
610.45557	2.4
627.46149	100.0
628.46539	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85077	1.3
51.05033	1.4
51.70668	1.4
55.01861	4.7
55.05507	20.3
57.03430	6.3
57.07074	2.5
65.03927	1.5
67.05498	34.4
67.33106	1.4
69.03427	1.8
69.07059	11.9
69.31535	15.8
71.04988	4.2
72.88465	1.3
79.05488	20.2
79.31647	1.4
81.03424	4.0
81.07050	75.2
83.04968	6.7
83.08627	8.1
85.06555	5.3
89.06563	1.4
91.05468	25.7
93.07034	15.8
95.04987	5.2
95.08595	17.1
97.06529	6.8
97.10170	3.4
99.08037	3.2
103.05473	2.6
105.07020	33.5
107.08601	12.9
109.06533	3.2
109.10149	3.5
111.08083	1.7
115.05480	3.1
117.07013	4.9
119.08564	23.2
121.10140	19.6
123.04402	9.6
123.08094	3.8
123.11700	22.7
125.09641	2.1
127.07579	2.5
128.06219	2.0
129.07007	6.1
131.04962	2.3
131.05978	1.3
131.08566	2.0
133.10109	3.5
137.05998	1.6
141.07004	4.3
143.04929	1.9
143.08534	2.1
145.06462	8.7
145.10118	3.0
147.04398	3.0
147.11678	52.7
149.05984	5.0
152.06259	4.1
153.07002	6.7
155.08549	7.8
157.06508	5.5
157.10130	3.4
159.08095	1.7
160.05255	2.6
161.05977	13.2
163.07506	4.0
165.06973	5.9
165.12756	24.6
166.07814	1.6
167.08578	16.6
169.06499	5.0
169.10110	4.4
171.08029	3.7
172.05199	3.0
173.05962	23.3
173.09557	1.5
174.06656	2.3
175.07545	5.1
179.08562	5.6
181.04961	2.1
181.06441	13.3
181.10127	3.5
182.07289	4.6
183.08028	13.6
183.13773	5.0
185.06009	4.3
185.09573	2.2
187.07509	13.9
189.05482	3.2
189.09076	4.1
191.08531	2.9
193.10187	2.5
193.12227	2.6
193.56895	1.4
194.07300	7.8
194.10980	2.2
195.08038	100.0
196.08592	1.8
197.09602	16.5
198.06747	2.6
199.07555	13.1
200.08411	2.8
201.09096	11.5
203.06987	1.9
205.10115	2.5
207.08119	4.2
209.09619	6.7
211.07527	3.8
211.11195	1.4
211.13249	1.7
213.09088	34.6
215.10696	6.3
221.09584	10.9
223.11177	5.4
227.10808	2.3
229.14360	4.9
237.12740	2.5
247.11205	2.3
256.14587	2.9
267.15906	40.0
274.13409	1.6
279.17404	12.6
284.13995	2.4
285.16919	28.7
289.15897	7.4
297.18448	3.5
299.16583	3.3
307.13315	3.5
307.16867	61.6
321.18311	2.1
323.16229	1.8
325.17932	47.8
333.18484	1.6
343.18997	16.2
345.18478	3.5
351.19614	1.7
363.19470	13.7
381.20612	21.8
399.21646	22.8
417.22617	4.0
499.28415	2.7
517.29541	3.8
558.13922	4.2
591.33142	14.0
609.33960	12.2
627.18341	2.6
627.35095	27.1
628.34991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31123	2.8
53.03952	4.9
54.05688	2.6
55.01874	5.9
55.05286	3.1
55.05512	28.1
55.30279	2.6
57.03438	26.4
57.07082	4.3
65.03953	3.3
67.05502	75.5
69.07067	33.7
69.28942	17.5
69.29369	14.7
71.05000	7.2
79.05493	60.7
81.03419	4.4
81.07056	84.7
83.05004	4.5
83.08624	15.6
85.06540	4.7
87.84288	2.6
91.05484	49.8
91.06010	4.8
93.07047	69.2
95.04978	8.7
95.08602	62.7
96.07257	2.7
97.06528	13.3
97.10165	7.4
99.08094	7.0
105.07024	52.2
107.08584	44.8
109.06505	5.8
109.10137	28.7
111.08044	5.5
113.09627	6.0
115.05432	3.5
117.07012	24.3
117.07587	2.3
119.08575	42.1
121.10124	28.1
123.08044	2.9
123.11759	8.4
129.06982	15.3
131.08569	38.8
133.10127	35.0
135.11702	15.0
137.09636	3.6
141.06921	6.1
143.08572	20.8
145.10112	37.8
147.11685	23.2
149.09639	7.6
149.13258	9.7
155.08563	13.6
157.10138	24.1
159.11678	28.4
161.13271	11.6
163.14787	4.4
169.10178	14.2
171.11673	18.0
173.13231	16.1
175.14786	6.4
177.12785	3.4
177.55043	3.0
179.57947	3.4
183.11719	14.3
185.13277	22.9
187.14833	8.7
189.16368	3.4
195.11812	6.6
197.13312	11.3
199.14886	10.5
201.16415	8.6
203.14384	6.7
209.13313	4.2
211.14896	8.8
215.17979	5.0
219.17448	16.4
223.14932	4.1
225.16449	6.2
227.12807	4.1
237.16351	5.4
239.17920	5.1
245.19078	3.4
257.19086	9.8
259.20618	9.7
261.22198	4.4
275.20059	39.6
293.21124	3.2
311.24014	3.1
333.24271	5.7
335.25818	57.6
337.70450	3.0
349.23917	20.2
515.37115	3.4
517.40118	5.0
535.41321	10.3
537.39148	4.3
553.42212	4.0
555.40472	32.3
586.22198	3.7
609.35944	6.0
609.45129	77.1
627.46161	100.0
628.46118	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	627.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01862	6.2
55.05307	1.9
55.05509	24.2
57.03429	10.2
57.54457	1.6
67.05505	35.2
69.03416	5.2
69.07069	11.2
70.76995	3.9
70.77347	1.8
71.04971	6.3
79.05048	2.8
79.05487	35.1
80.07545	1.8
81.03410	53.4
81.07053	39.6
83.04972	13.2
83.08611	21.6
85.02889	19.3
85.06535	3.4
91.05474	40.8
93.07037	27.0
95.04951	26.2
95.08607	14.1
97.02874	3.5
97.06521	5.5
97.10160	11.0
98.20804	2.2
103.05450	2.0
105.07013	26.7
107.04940	6.5
107.08575	11.8
109.06507	5.7
109.10147	6.2
110.60191	1.7
111.04432	3.6
111.08067	8.2
115.05435	4.2
117.07004	7.1
119.08577	20.0
121.06443	2.4
121.09407	1.7
121.10125	11.4
123.04417	11.8
123.08049	3.3
123.11696	2.6
125.09598	7.4
128.06247	2.6
129.06967	12.5
131.04897	5.2
131.08537	15.5
133.06470	5.0
133.10123	10.0
137.05998	3.6
137.09570	2.2
141.06976	6.9
142.07733	2.3
143.04915	2.9
143.08566	2.8
145.06525	9.2
145.10100	3.1
145.66609	2.0
147.08060	4.5
147.11676	10.5
149.05940	5.3
149.09644	5.8
152.06180	5.4
153.06963	8.5
154.07742	3.3
155.08548	11.2
157.06522	5.7
157.10092	12.7
159.07999	2.1
160.05153	2.1
161.05981	17.0
163.07545	6.5
163.19724	2.3
165.07060	6.2
165.12724	3.3
167.07204	3.1
167.08542	19.5
169.06532	3.9
169.10143	4.0
171.08020	4.4
171.11664	2.9
172.05116	2.2
173.05971	30.1
174.06749	3.1
175.07558	8.2
175.11171	12.1
179.08545	6.5
181.06479	15.2
181.10252	2.2
182.07204	3.0
183.08031	14.9
184.05176	2.0
185.05992	4.0
185.09547	4.4
186.06773	2.8
187.07523	19.5
189.09099	4.6
191.08578	2.9
193.10332	3.9
193.12231	38.5
194.07317	8.9
195.08035	100.0
196.08354	2.7
197.05884	2.7
197.09615	18.9
198.06728	2.1
199.07495	21.1
200.08260	2.8
201.09041	12.3
205.10164	3.1
207.08051	6.6
209.09608	8.1
211.07541	7.4
211.11337	1.8
211.13278	52.9
213.09082	43.0
215.10632	6.5
219.08162	3.1
221.09676	9.9
223.07503	4.6
223.11192	5.2
225.09120	4.2
233.09566	4.1
235.11211	5.5
237.09036	3.7
237.12814	2.6
239.10567	4.2
247.11127	4.9
251.10828	2.9
256.14703	1.9
263.14206	2.2
267.15878	17.0
269.15405	2.4
279.17407	9.1
284.14114	3.5
285.16946	20.8
288.39087	2.0
289.15808	7.1
297.18463	2.5
299.16425	3.2
307.16888	71.2
323.16461	3.7
325.17932	39.9
326.18585	2.0
337.17688	2.1
343.19012	15.1
343.88980	2.6
345.18524	3.5
349.17642	2.1
363.19498	8.1
365.21051	2.5
381.20657	16.7
399.21652	16.1
417.22458	4.4
447.26797	2.3
465.15799	3.1
471.29105	2.2
481.27054	3.4
499.28345	6.2
517.29382	9.3
535.30341	6.2
573.31818	4.8
591.32831	14.7
609.34027	26.0
627.18903	24.6
627.35205	40.8
628.18884	6.6
628.35132	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	626.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68557	1.7
53.03908	3.1
55.01865	2.8
55.05514	12.8
57.03435	2.1
57.07072	10.8
59.04983	4.5
65.10609	1.5
65.97897	1.5
67.05500	26.6
69.03434	8.9
69.07063	45.1
70.06617	1.6
70.82110	2.8
70.82434	2.5
71.01359	1.9
71.04987	9.3
71.08621	4.1
73.02909	2.3
79.05495	19.3
81.03436	3.8
81.07051	100.0
82.07386	2.1
83.05021	3.8
83.08612	17.5
85.02909	9.0
85.06530	7.6
87.00797	1.8
87.04482	2.5
91.05473	15.1
93.06465	3.1
93.07040	63.7
93.07623	4.0
94.07381	2.0
95.04959	14.6
95.08602	74.2
96.08984	1.6
97.02858	4.1
97.06516	7.6
97.10151	7.4
97.44623	1.8
99.04440	3.3
99.08067	3.7
103.05407	2.0
105.01855	3.6
105.07028	21.0
107.04926	2.7
107.08585	48.6
109.02902	3.3
109.06501	7.6
109.10146	51.3
110.10500	2.8
111.08053	9.6
111.11713	7.3
117.06962	2.7
119.08574	19.0
121.06441	2.7
121.10133	42.6
123.08067	4.1
123.11698	33.6
125.05959	3.7
125.09598	3.2
127.03892	7.5
127.07590	1.8
127.11068	1.6
131.04910	2.5
131.08554	3.6
133.10109	15.3
135.11674	40.0
137.05972	6.0
137.09610	7.3
137.13252	25.4
139.11186	8.5
145.10086	11.6
147.11681	12.3
149.13239	14.5
151.11159	10.5
151.14787	2.3
153.12744	13.0
155.10620	7.2
155.14294	3.7
159.11685	9.0
161.13235	8.2
163.11166	12.4
163.14795	7.0
165.12741	6.6
167.07083	2.3
167.10617	3.7
167.14221	2.4
169.12189	7.2
171.13835	2.0
173.13214	2.2
175.07550	2.0
175.14821	6.1
176.15196	1.6
177.05492	2.3
177.16347	6.6
179.17838	1.8
181.12218	26.3
184.53391	1.6
187.13258	3.2
187.14795	3.3
189.16359	4.7
191.17935	3.3
199.13266	11.1
201.16420	1.9
203.17973	3.1
205.19522	2.0
209.18953	2.6
213.03954	2.7
215.17896	4.8
217.19460	2.4
231.04951	2.5
231.21111	3.5
245.22665	2.3
250.65863	1.6
261.25778	3.7
271.24173	15.4
277.25049	2.2
277.92233	1.7
289.25226	34.6
295.26254	10.4
299.05573	7.8
305.24686	3.7
306.13022	1.8
306.25018	4.5
307.26285	47.3
307.29849	2.7
324.26138	3.1
325.27313	21.2
342.27081	3.9
343.28513	11.5
429.21149	3.0
465.11639	7.5
537.30438	3.2
627.29767	2.6
654.25897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01863	1.6
55.05503	3.2
56.55294	0.4
57.03432	5.3
57.07058	0.6
61.02903	1.4
65.03941	0.4
67.05496	11.3
69.03075	0.7
69.03425	9.5
69.06715	0.6
69.07060	7.3
69.91579	0.9
69.91988	1.6
71.04989	4.4
73.02892	0.9
79.05484	6.7
81.03412	19.4
81.07050	35.3
82.07378	0.8
83.04975	3.3
83.08612	3.8
85.02418	0.6
85.02898	9.6
85.06542	2.8
85.88918	0.3
87.00829	0.4
87.04444	0.8
88.17657	0.3
91.03934	0.7
91.05475	10.8
93.07030	6.3
95.04939	2.3
95.08041	0.6
95.08605	9.1
97.02880	5.1
97.06515	3.7
97.10174	0.4
99.04439	3.4
99.08087	2.7
103.03930	3.1
105.04429	0.4
105.07021	16.8
107.04947	1.3
107.08578	6.4
109.02866	14.3
109.06529	3.2
109.10130	1.8
111.04421	0.6
111.08070	1.2
112.23211	0.3
113.05978	0.8
117.07001	0.6
119.08568	12.8
121.02837	1.0
121.06513	0.7
121.10135	10.7
122.10394	0.5
123.04393	1.8
123.08082	1.8
123.10801	0.6
123.11697	12.8
124.05259	0.5
127.03902	15.1
127.07533	1.8
129.06984	1.3
131.04916	0.4
131.08543	1.1
133.06490	0.7
133.10124	3.2
135.11734	1.1
137.02335	0.5
137.05946	2.5
137.09608	0.5
137.13226	1.8
138.02507	0.4
141.09081	0.6
142.07771	0.5
143.85643	0.4
145.04973	1.2
145.06453	0.4
145.10117	1.1
147.04347	0.7
147.11673	41.0
148.11990	1.3
149.05945	0.6
149.09583	1.5
149.13249	0.6
151.03827	0.4
151.07506	0.7
151.11139	1.0
153.05389	0.7
157.10091	3.2
159.11685	0.6
161.05986	1.1
163.11174	0.8
165.05438	0.7
165.12740	19.6
167.07002	2.1
175.07613	0.7
175.11182	3.9
175.14786	0.5
177.05499	0.8
181.04950	1.1
181.12357	0.4
183.02878	0.5
183.06509	5.0
183.13795	2.1
189.08878	0.5
193.12248	2.6
201.07588	1.1
211.13260	0.9
229.14343	6.0
255.06577	0.4
257.04422	1.2
258.05212	0.4
267.15891	36.7
268.16257	1.5
271.06021	0.4
273.14679	0.5
283.15396	0.5
285.16946	14.4
286.04712	0.9
287.05548	0.7
289.25226	1.2
295.15646	0.5
299.05515	5.5
301.14444	0.8
307.26294	2.2
311.05563	1.9
313.16394	3.8
315.04929	8.1
319.15381	0.9
325.27075	0.9
327.18158	1.9
337.16434	8.4
351.17938	0.7
355.17462	5.8
375.18057	0.5
381.19342	0.6
393.19055	9.3
394.19104	0.5
411.20108	27.3
412.20407	1.1
418.16187	1.2
429.21167	100.0
430.21506	5.0
433.09067	0.5
447.10767	0.8
447.22168	5.8
465.11777	10.9
481.11328	7.5
555.24518	0.5
591.26239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.7
53.03930	2.1
55.01864	2.0
55.05503	4.7
57.03435	6.7
57.07051	0.6
61.02929	2.4
65.03918	0.8
67.05499	14.3
69.03423	12.8
69.07065	7.5
69.91081	2.4
71.01344	0.6
71.04990	4.8
73.02896	0.8
79.05482	8.3
81.03413	24.3
81.07051	45.5
82.07381	0.7
83.04971	4.5
83.08616	4.0
85.02425	0.6
85.02900	10.8
85.06538	2.9
86.45821	0.5
87.00803	0.6
87.04468	0.6
88.79677	0.4
89.89070	0.5
91.03949	1.1
91.05473	14.8
93.07033	7.9
95.04967	2.9
95.08600	11.2
97.02879	5.6
97.06515	4.7
98.21465	0.8
99.04446	5.0
99.08080	2.3
101.05917	0.5
103.03934	4.5
103.05475	0.7
105.07021	21.3
107.04932	1.8
107.08590	10.5
109.02868	16.0
109.06529	3.4
109.10131	2.6
111.04411	1.4
111.08046	1.5
113.05990	0.9
115.03980	0.6
115.05406	0.6
117.07006	0.9
119.04890	0.7
119.08571	16.7
120.08945	0.5
121.02872	0.9
121.06492	0.6
121.09306	0.8
121.10134	13.2
123.04436	2.5
123.08054	2.7
123.11694	16.5
125.06028	0.6
127.03905	17.4
127.07545	2.3
129.05449	0.7
129.06979	1.5
131.04909	0.7
131.08572	1.2
133.06502	1.3
133.10126	3.6
135.11659	0.9
137.05942	3.3
137.09633	0.6
137.13225	1.8
139.11195	0.9
141.09132	0.6
145.04904	1.3
145.06526	0.6
145.10120	1.7
147.04317	0.7
147.11674	49.5
148.12018	1.7
149.05965	0.9
149.09576	1.3
149.13263	1.2
151.07492	1.0
151.11183	1.0
153.05464	0.8
155.08556	0.6
157.10107	3.0
161.05988	1.3
163.11194	1.3
165.12749	22.1
166.13042	1.0
167.07004	3.9
173.05922	0.5
175.07547	0.6
175.11191	4.4
177.05489	0.9
181.04982	0.9
181.12158	0.7
183.02846	0.9
183.06508	4.3
183.13826	2.7
191.07155	0.5
192.07858	0.5
193.12213	4.4
207.06512	0.7
211.13199	0.6
221.08081	0.8
225.05406	0.5
229.14304	5.9
236.47713	0.5
245.04570	0.6
253.49016	0.5
257.04465	1.7
267.15891	41.5
268.16220	1.2
273.14905	0.6
283.15674	0.7
285.16949	17.3
286.04727	0.8
286.17380	0.6
287.05362	0.7
289.25232	1.8
297.16730	0.6
299.05518	7.2
307.26154	1.7
311.05475	1.6
313.16351	3.6
315.04932	7.4
319.15146	0.5
325.27258	1.4
327.05017	0.9
327.17999	1.5
337.16336	7.4
355.17532	6.6
375.17767	0.7
393.18982	8.0
411.20123	25.6
412.20383	1.3
418.16113	1.8
429.21173	100.0
430.21518	5.6
447.10748	1.0
447.22226	5.2
465.11771	11.0
481.11185	8.6
555.31793	0.6
591.26434	2.2
599.08905	0.5
626.28918	1.1
627.15240	0.5
627.30115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23666	0.7
52.39202	0.7
53.03943	3.9
54.04209	0.7
55.01873	6.6
57.03426	3.9
61.02916	3.1
65.03922	0.8
68.99770	2.8
69.03074	1.5
69.03425	19.5
71.04976	3.1
73.02921	4.1
79.05473	1.9
81.02970	1.3
81.03414	15.9
81.07064	1.6
83.01335	0.9
85.02900	48.7
87.00822	20.8
87.04457	1.4
91.03940	1.6
91.05469	6.9
93.07000	1.4
94.04180	1.6
95.04967	3.8
95.08580	1.2
97.02884	16.5
99.04440	8.5
101.02336	0.9
103.05470	9.4
105.01859	14.2
105.07008	3.0
107.04945	2.6
107.08554	1.2
109.02878	13.8
109.06481	2.4
111.04422	1.5
112.78665	0.9
115.03912	2.6
115.05433	1.6
117.01845	2.3
117.06996	3.0
119.04939	7.4
119.08574	1.2
121.06493	2.8
122.03619	3.8
123.08021	2.1
127.03908	23.3
128.06198	1.4
129.01820	2.8
129.06982	5.4
131.04913	17.0
131.08594	1.0
133.06554	1.7
135.08037	2.6
136.05165	1.4
137.05968	76.3
143.04865	0.8
143.08543	1.5
145.04948	8.1
145.06429	2.4
146.03554	1.0
146.07152	0.8
147.02888	1.9
147.08018	1.2
149.05959	6.2
151.03966	4.4
151.07527	43.5
157.06477	5.8
159.02907	7.0
159.08025	1.1
160.05197	1.4
161.05962	10.9
161.09634	1.9
162.06718	2.2
163.07533	46.4
165.06990	1.9
165.09103	1.8
167.07202	0.9
167.08566	3.5
169.06447	0.9
171.02852	1.1
171.08041	1.3
174.06734	2.7
175.07530	12.9
175.10963	0.8
177.09094	89.2
178.07814	0.9
179.06964	0.8
181.06380	1.6
183.08092	0.8
187.07506	1.3
187.11392	0.9
189.03734	0.8
189.09106	13.8
191.06982	1.7
193.06506	2.3
193.10109	2.8
194.07101	1.0
195.08047	9.0
195.10179	4.4
197.09613	1.0
199.07486	1.3
201.03783	1.0
201.09068	1.6
203.07039	2.4
203.10612	0.8
207.08133	1.7
207.10153	3.6
209.06316	1.0
209.08043	4.3
209.09625	1.6
210.06740	1.1
211.07579	1.1
212.31531	0.7
213.08971	1.7
215.06970	0.9
219.04959	1.8
219.08311	0.9
219.10197	3.2
221.06079	4.2
221.09567	3.7
221.11667	22.7
222.06644	1.1
223.07501	3.8
224.08261	1.9
225.09027	3.6
227.10655	11.6
229.08762	0.8
231.04968	3.4
231.08047	1.0
231.10152	1.4
233.06088	0.8
233.09714	1.4
237.09105	2.6
238.06238	0.8
239.06915	1.0
239.10585	1.2
240.07648	1.6
241.08473	1.1
243.10278	1.3
245.42778	0.8
247.07571	1.6
249.06152	1.0
249.09000	2.1
249.11252	5.3
251.10912	1.1
252.07855	1.2
253.08607	5.4
253.12216	6.0
255.10155	12.1
261.08896	1.6
261.11304	1.8
264.07800	1.1
265.08630	2.4
267.10132	3.2
269.08044	2.1
273.11404	1.6
277.08652	1.6
278.09589	1.1
279.10135	1.1
281.08167	0.8
281.11758	2.5
284.10464	1.7
285.11182	8.6
287.12784	18.8
291.09860	1.5
293.11685	3.7
297.11252	5.2
298.12015	1.3
299.12781	9.7
305.11526	1.9
309.11063	3.0
310.12173	1.1
311.12817	11.2
313.14328	14.9
317.14087	1.0
321.11182	1.5
323.12714	2.3
325.14075	1.1
331.15372	100.0
332.15631	1.6
335.12701	1.7
337.14331	1.5
341.13739	3.5
343.15390	28.5
347.13040	1.3
353.14023	3.8
355.15408	7.4
365.13663	0.8
367.15344	6.2
371.12723	1.0
379.15497	2.3
385.16174	2.7
397.16498	5.4
403.15125	2.6
419.13144	1.4
421.16418	11.1
439.17560	4.1
507.16461	1.9
525.17542	4.9
543.18585	8.7
561.19354	5.3
579.21021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.0
69.59207	0.7
73.07823	0.7
79.05464	0.8
79.51215	0.9
81.07036	1.1
81.94273	0.8
83.49841	0.8
91.05491	1.3
93.07031	1.1
98.21514	1.7
98.60056	0.7
100.90625	0.7
105.07053	1.0
117.05701	0.7
119.08702	0.8
119.65887	0.8
124.16889	0.8
145.10132	1.0
181.37796	0.8
203.05331	3.7
285.07678	2.5
376.63632	0.9
445.25562	19.9
445.30978	1.4
463.26657	13.2
463.32352	1.2
477.19446	1.0
625.32104	100.0
626.32489	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	625.1758
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01867	0.2
55.05495	0.3
57.03434	1.6
59.04995	0.2
60.34168	0.1
61.02927	1.6
65.03925	0.2
67.05479	0.2
68.99804	0.1
69.03419	0.6
69.07058	0.2
70.03501	0.3
70.03893	0.3
71.04988	10.1
72.05314	0.1
73.02905	0.6
74.23553	0.1
75.04458	0.5
79.05469	0.1
81.03401	0.3
81.07047	0.6
83.04997	0.6
85.02899	13.8
85.06521	0.5
87.00818	0.1
87.04491	0.2
91.03962	1.0
91.05468	0.2
92.02618	0.4
93.03419	0.5
93.07024	0.3
95.04969	0.2
95.08592	0.4
97.02893	1.2
97.95644	0.1
99.04476	0.2
99.08052	0.2
105.07045	0.1
107.08585	0.4
109.02834	0.3
109.10146	0.6
111.04413	0.3
119.08578	0.2
121.02853	0.5
121.06525	0.1
121.10116	0.3
126.03101	0.2
127.03919	0.8
129.05473	3.9
133.10159	0.2
135.11659	0.2
137.05983	0.1
139.03903	0.8
139.04861	0.1
145.04904	0.4
145.10115	0.2
147.06522	1.3
151.03911	0.6
151.11137	0.1
153.01816	4.4
163.03841	0.1
165.01805	0.6
167.07071	0.1
177.05461	0.3
177.16336	0.2
183.02892	0.2
185.13242	0.1
201.05412	0.5
203.03322	0.3
203.17871	0.1
217.05005	0.3
218.05756	0.4
228.04115	0.6
229.04970	2.2
231.02756	0.2
243.06383	0.2
245.04469	0.6
246.05214	1.2
247.02504	0.1
256.03552	0.2
257.04419	1.7
258.05176	0.1
260.03165	0.3
261.07501	0.2
269.22629	0.2
271.05994	0.2
273.03900	1.4
274.04706	3.5
284.03241	0.2
285.03940	3.2
286.04468	0.2
287.01996	0.2
287.23801	0.2
302.04196	10.2
303.04504	0.3
305.24600	0.4
317.06537	100.0
318.06906	3.3
323.25797	0.4
329.06512	0.3
341.26834	0.2
359.07684	0.2
359.27820	0.2
383.06863	0.2
461.10651	0.1
479.11597	0.4
545.83502	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	624.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05502	9.6
57.03447	2.1
57.07074	4.4
59.04989	1.8
64.50012	1.8
67.05506	13.1
69.03432	9.8
69.07059	23.7
69.98847	9.0
71.04990	2.4
79.05490	6.3
81.03407	6.4
81.07052	32.1
83.04935	1.9
83.08615	16.2
85.02911	11.6
85.06552	2.0
85.10219	1.3
87.00829	2.8
91.05481	4.6
93.07044	16.3
95.04971	3.7
95.08601	25.6
97.02901	3.5
97.06535	2.8
97.10167	5.7
99.04415	2.5
105.01875	2.2
105.07036	8.2
107.08585	23.1
109.02873	3.6
109.06508	4.0
109.10155	19.7
111.08105	4.9
111.11703	3.4
119.08575	8.8
121.06535	2.7
121.10139	22.1
123.08019	2.0
123.11703	13.4
127.03931	8.3
131.08551	3.4
133.10109	14.1
135.08084	2.3
135.11667	7.6
137.05949	2.5
137.09607	12.9
137.13275	10.9
144.23338	1.5
145.10126	3.8
147.08006	2.5
147.11685	7.3
149.09630	3.6
149.13258	10.8
151.07643	2.1
151.14807	1.7
153.12657	2.2
155.22858	1.7
157.10133	2.2
159.11700	2.8
161.09618	22.1
161.13268	3.9
163.11238	4.4
163.14830	3.8
165.09114	7.8
165.12686	1.7
167.10713	5.4
167.14308	2.9
171.11600	2.0
173.13376	1.5
175.11188	4.0
175.14899	3.3
177.12695	1.5
177.16357	2.1
179.10628	7.8
181.12248	8.2
189.16280	2.4
191.17989	1.9
193.12303	6.5
203.14226	1.4
203.17975	2.0
221.15501	1.5
239.23698	1.6
245.22626	3.6
259.24243	3.5
269.22699	3.8
277.25327	2.1
279.26904	3.5
287.23764	7.4
305.24716	27.0
323.25803	94.0
341.26849	100.0
345.05582	1.8
359.27869	12.6
441.33591	1.7
462.29187	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.52478	0.1
53.03935	0.3
55.01860	0.2
55.05486	0.4
57.03433	2.0
57.07064	0.2
58.02633	0.1
59.04995	0.2
61.02922	1.7
67.05481	0.4
69.03424	0.6
69.07044	0.3
69.36813	0.4
69.37238	0.8
71.01338	0.2
71.04986	11.1
72.72790	0.1
73.02903	0.8
75.04472	0.6
79.05473	0.1
81.03405	0.3
81.07062	0.6
83.04975	0.9
84.19310	0.1
85.02897	14.9
85.06518	0.6
87.04462	0.2
91.03943	1.0
91.05483	0.2
92.02609	0.5
93.03396	0.4
93.07049	0.6
95.04947	0.4
95.08582	0.6
97.02881	1.3
99.04433	0.2
99.08072	0.2
103.03872	0.2
105.07017	0.2
107.08602	0.3
109.02882	0.3
109.10144	0.3
111.00744	0.2
111.04423	0.4
115.10635	0.1
119.08575	0.3
121.02888	0.6
121.10130	0.4
123.11673	0.2
125.09666	0.1
126.03092	0.3
127.03896	0.9
129.05464	3.6
131.08534	0.1
133.02827	0.2
133.10118	0.2
135.11714	0.3
137.02328	0.2
137.13278	0.2
139.03882	0.5
139.11058	0.2
145.04924	0.4
145.10088	0.2
147.06517	1.7
149.13266	0.2
150.03059	0.1
151.03894	0.5
153.01808	5.2
153.12643	0.1
165.01801	0.6
167.07089	0.2
177.05428	0.3
183.02904	0.2
200.04549	0.2
201.05498	0.5
203.03375	0.4
203.17850	0.1
205.34348	0.1
217.04936	0.2
218.05640	0.4
228.04175	0.9
229.04947	2.3
231.02789	0.3
243.06409	0.1
245.04396	0.7
246.05264	1.4
256.03799	0.1
257.04410	2.1
260.03183	0.3
261.07507	0.3
271.05930	0.1
273.03885	1.2
274.04709	3.9
284.03134	0.4
285.00763	0.2
285.03909	3.7
286.04669	0.2
288.06140	0.3
302.04187	11.1
303.04578	0.3
305.24799	0.3
317.06519	100.0
318.06885	3.1
318.10513	0.2
323.25726	0.4
329.06522	0.2
341.26886	0.3
359.07736	0.3
359.27982	0.2
383.07544	0.3
403.98428	0.1
416.90411	0.1
429.03143	0.1
479.11536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01855	1.6
55.05511	12.8
57.03432	3.4
57.07076	6.0
59.04988	3.8
61.02929	1.3
67.05502	20.8
68.05820	1.1
69.03424	13.9
69.07067	36.6
69.78984	6.5
71.01360	2.6
71.04993	15.9
73.02913	2.2
79.05495	24.5
81.03429	3.2
81.07056	78.3
82.07381	2.0
83.04984	7.1
83.08614	10.1
85.02903	9.4
85.06541	6.2
87.00830	2.6
91.05466	12.9
93.07040	61.4
95.04969	8.0
95.08601	50.8
95.09235	1.6
97.02901	3.5
97.06524	8.6
97.10166	3.9
98.21459	2.4
99.04448	3.1
99.08086	1.4
105.01842	3.3
105.07030	22.0
106.07381	1.4
107.04959	2.1
107.07854	2.4
107.08588	43.3
109.02869	3.7
109.06514	6.6
109.10155	40.1
111.08076	4.0
111.11704	6.1
117.07001	2.5
119.08576	20.4
121.06471	4.4
121.10141	100.0
122.10498	1.8
123.08091	2.7
123.11703	57.7
124.12075	2.1
125.05160	1.3
125.05994	5.1
125.09621	2.6
127.03886	5.6
129.06935	1.6
131.08571	3.6
133.10126	14.3
135.08040	1.5
135.11693	34.8
137.05986	4.1
137.09615	5.8
137.13191	6.5
139.07475	1.5
139.11171	8.7
143.08562	2.6
145.04988	2.4
145.10112	18.0
147.08170	1.2
147.11674	15.9
149.09554	2.9
149.13281	9.3
151.07623	2.0
151.11160	7.3
153.12740	11.3
155.10660	2.4
157.10088	2.7
159.02948	1.7
159.11693	8.5
161.09621	2.3
161.13295	5.1
163.11186	19.1
163.14819	3.8
165.09158	2.4
165.12715	5.1
167.06998	2.0
167.10669	3.3
169.12234	3.3
171.13829	6.1
173.13214	5.7
175.14801	5.0
177.12756	3.1
177.16373	2.5
181.12228	28.2
187.13304	2.3
187.14803	2.4
189.16359	3.3
193.12329	1.3
193.15974	1.6
199.13200	2.4
201.16464	2.1
203.14328	1.2
203.17953	2.4
207.17519	1.4
211.16965	1.4
213.16309	1.4
217.19588	1.3
227.17929	1.5
229.19470	3.0
231.04984	1.6
233.19177	1.4
243.21060	1.5
245.22650	1.9
247.20413	1.8
257.22565	1.7
259.24231	1.5
261.22162	1.8
269.22638	10.3
275.23831	3.0
277.25226	1.4
287.20544	2.3
287.23715	32.6
293.24710	8.4
304.23508	2.4
305.24753	68.5
311.09201	4.2
312.09369	6.1
319.11237	1.3
321.24246	4.0
322.24518	8.6
323.25806	51.7
329.10178	3.6
330.10526	5.1
339.25195	2.2
340.25549	5.0
341.26657	1.8
358.27029	2.1
511.53857	1.2
535.28821	3.4
571.30774	1.5
607.59772	1.5
624.25549	1.4
625.21271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48591	1.3
59.57790	1.2
71.34501	1.5
71.34915	2.1
74.62916	1.4
89.06066	1.5
103.09419	1.1
158.98395	1.3
298.88571	1.3
375.17047	2.0
377.17636	1.3
391.19485	2.6
392.20096	2.5
401.17651	1.7
405.20865	3.7
406.21466	3.5
407.22369	12.3
413.18365	1.3
414.18356	2.1
415.19263	4.9
416.20215	1.9
420.23529	2.4
421.23935	11.8
422.24719	2.1
427.19113	1.9
428.20441	2.8
429.20749	12.9
430.21561	2.0
443.22522	6.4
444.23016	4.0
445.20041	2.5
447.18173	1.5
449.23340	1.6
456.19611	1.7
457.19183	1.9
457.24484	2.8
458.24799	5.9
459.21954	5.3
460.22696	1.6
461.19800	5.5
462.20596	1.6
470.21130	1.6
471.21860	2.0
472.22684	7.3
475.21390	4.2
476.22012	4.1
477.22641	1.9
485.23367	13.9
486.24631	2.3
489.22906	3.8
499.21384	4.8
503.24612	5.1
513.22742	3.2
517.25946	6.8
535.27277	4.7
545.25470	73.6
546.25861	3.1
573.24927	17.4
605.27570	83.3
606.27716	2.4
623.28607	100.0
624.28943	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40111	2.9
53.03926	10.1
53.89437	2.4
55.01853	11.1
55.05504	17.3
57.03420	6.8
57.07055	4.3
58.74563	3.0
59.04974	4.2
61.02922	4.4
65.03942	3.5
67.05500	28.9
68.99792	2.9
69.03431	34.1
69.06721	3.7
69.07064	55.8
71.01336	3.9
71.04986	19.2
71.58611	6.1
73.02910	6.9
76.16958	2.8
79.05493	30.1
81.03414	28.3
81.07051	84.0
83.04963	9.7
83.08606	10.6
85.02901	53.6
85.06524	9.3
87.00828	22.4
91.05485	23.1
93.07037	83.0
95.04961	12.6
95.08603	71.8
96.88152	2.7
97.02874	22.2
97.06512	11.8
97.10168	6.1
99.04441	9.6
103.05449	6.3
105.01842	17.9
105.07030	25.3
107.04942	10.3
107.08582	51.4
109.02866	19.5
109.06488	9.7
109.10154	46.4
111.08041	8.8
111.11697	7.9
115.05456	2.9
116.60339	2.8
117.07020	4.3
119.04897	3.1
119.08574	27.5
121.06480	6.9
121.10131	90.9
123.08048	6.9
123.11697	43.6
125.05927	3.5
125.09603	5.3
127.03914	31.5
131.04910	5.3
131.08543	8.4
133.10115	21.5
135.11670	40.5
137.05960	13.0
137.09587	9.2
137.13229	9.8
139.11165	15.2
143.08508	5.9
145.02835	3.4
145.04935	13.2
145.10127	15.8
147.11687	18.0
149.06029	5.8
149.09644	4.3
149.13223	12.6
151.07547	3.9
151.11191	5.7
153.12741	10.7
157.10146	3.7
159.02855	12.3
159.11661	8.9
161.09572	4.6
161.13271	6.9
163.07561	4.3
163.11188	12.8
163.14848	5.0
165.12730	7.0
167.07001	13.4
167.10655	15.9
173.13231	8.5
175.07556	3.4
175.11243	3.0
175.14801	8.2
177.05435	6.0
177.12758	7.6
177.16386	4.8
181.12268	17.0
187.14763	4.2
189.16292	3.2
191.07054	2.9
191.14330	3.9
199.13116	4.2
203.06935	3.3
207.06573	5.1
213.04018	3.7
213.16429	3.6
229.19490	4.2
231.04990	7.0
269.22702	9.2
275.23782	6.3
287.23654	36.8
293.24655	10.0
305.24722	100.0
323.25775	92.4
341.27026	6.8
413.27155	4.0
463.10184	10.0
535.28918	8.6
553.29938	9.6
571.30499	5.7
624.38202	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	623.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
65.03926	2.9
67.05501	3.5
68.99803	1.1
69.07064	9.7
78.80481	1.0
79.05491	4.3
81.03403	1.8
81.07051	3.9
83.04939	1.3
85.02934	1.2
90.92422	1.1
91.05483	4.0
93.07039	2.9
95.05003	1.8
95.08602	2.2
101.69529	1.0
105.07018	3.0
107.04944	4.1
107.08587	1.6
109.02922	1.2
119.08566	1.6
123.04422	4.9
129.06961	1.2
137.02321	2.9
139.03867	2.0
147.04399	1.9
147.11641	2.1
149.02332	27.2
149.03462	2.6
150.02655	12.3
151.02771	4.2
151.03905	2.2
157.06429	1.3
167.08453	1.7
173.05936	1.2
193.04935	11.6
194.05324	5.9
194.07004	1.1
195.05479	4.4
195.08101	5.8
200.19882	1.7
213.05396	2.4
213.09082	1.8
215.07013	2.0
221.05423	1.1
227.06870	1.1
228.04207	1.9
238.07755	1.6
239.08209	1.4
241.04890	2.1
243.06406	1.3
255.06519	5.0
256.07281	2.6
267.06439	1.6
269.08066	5.1
270.08887	2.0
271.05942	10.7
283.05832	1.7
303.06433	2.5
307.16873	3.9
309.00745	1.1
323.12753	1.7
331.05713	1.4
343.06177	1.8
344.06915	1.5
360.05917	2.0
371.05353	3.0
375.08560	2.5
386.09174	1.2
387.09360	2.0
403.08163	3.1
429.06079	1.4
431.07425	1.4
435.08466	1.6
440.08438	1.3
451.08154	2.4
479.07355	1.8
491.07480	4.7
493.09116	2.3
499.13745	1.7
505.09204	1.3
511.10043	2.5
522.09320	10.5
523.09656	1.5
526.12531	4.5
527.13159	7.7
535.10486	2.0
537.11768	100.0
538.11871	2.4
539.13300	3.4
549.11371	1.5
554.12323	5.8
555.12866	3.6
567.12732	2.5
575.13519	4.5
579.13837	7.6
590.15247	3.8
595.19531	2.8
605.17975	54.2
606.18140	2.4
622.48663	3.6
623.16370	28.1
623.34241	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.22631	0.9
58.54121	0.6
60.67862	0.8
61.80118	0.7
71.59805	1.7
79.05474	1.0
83.08597	0.9
88.17553	0.9
110.62094	0.8
210.12175	1.0
296.30060	0.8
373.48627	0.9
389.17740	2.5
401.17725	1.1
403.19275	4.6
404.19849	1.8
405.20630	1.8
417.17056	3.5
417.21606	1.3
419.22433	6.4
429.17325	0.9
431.17993	5.9
432.19366	2.3
433.20303	1.1
445.19989	5.8
446.21130	5.6
447.21765	8.8
448.22412	1.0
459.22153	2.4
461.19580	1.3
473.19040	1.1
474.20297	6.2
475.21259	6.6
487.21304	2.7
488.22287	1.4
501.23267	2.4
533.25525	15.0
534.26099	1.9
561.24817	18.0
562.25897	1.7
593.27203	1.9
608.78516	1.1
617.51086	1.0
621.27032	100.0
622.27142	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03078	0.4
69.28183	0.5
71.38945	1.0
80.03036	0.5
80.29321	0.5
98.50918	0.5
98.88842	0.5
114.98793	0.5
131.18657	0.5
159.30078	0.7
301.30505	0.5
302.08649	0.6
329.94379	0.5
373.14355	0.6
375.16159	1.0
387.16293	0.7
388.16772	1.3
389.17535	3.3
390.18164	2.2
391.19083	1.3
401.17688	1.0
402.18289	1.5
403.19421	6.0
404.19977	3.2
405.20370	2.1
413.17587	0.6
415.19269	1.4
416.15887	1.1
416.20618	1.0
417.16052	4.1
417.20914	3.0
418.17139	1.2
418.21890	1.0
419.22366	9.3
420.22888	0.8
429.16672	0.8
430.17569	1.5
431.18085	9.2
431.23477	0.9
432.19040	2.8
432.78546	0.5
433.20020	1.6
443.18872	0.8
444.19611	1.4
445.15549	0.7
445.20245	8.7
446.20853	5.2
447.21829	13.0
448.22162	0.9
459.17166	1.3
459.21982	2.2
460.18719	1.5
461.19803	1.5
473.18689	1.2
474.20432	11.5
475.21268	18.1
476.21545	1.0
487.21555	4.4
488.22144	1.8
491.25134	0.5
501.22699	3.5
502.23499	0.5
503.20187	0.6
505.25757	1.9
519.23755	0.6
529.22559	0.8
533.25488	14.3
533.65411	0.6
546.22498	1.0
561.24969	76.5
562.25140	3.7
566.18396	0.6
589.24445	1.9
593.27930	2.4
621.27087	100.0
622.27423	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.54743	0.3
63.96993	0.3
64.54434	0.3
69.28064	4.3
81.63341	0.4
103.42761	0.3
105.10440	0.4
117.41001	0.4
129.80415	0.3
138.07451	0.3
147.96114	0.4
155.21091	0.4
209.10762	0.4
231.76108	0.3
278.85257	0.4
375.16074	0.7
377.63000	0.4
387.16208	0.5
388.16971	0.9
389.17563	3.2
390.18423	1.1
391.19254	1.2
401.18030	0.9
402.18530	1.4
403.14777	0.6
403.19522	3.4
404.20078	2.3
405.20941	2.2
416.15854	0.8
416.20667	0.6
417.17017	3.1
417.20993	2.6
418.17194	0.8
418.22134	0.6
419.22440	7.8
420.23044	0.9
423.73407	0.4
430.17316	0.8
431.18066	7.0
431.23608	0.7
432.19037	2.9
433.19839	2.7
443.18927	0.5
444.19604	0.9
445.20123	5.8
446.20905	5.7
447.21753	9.6
448.22675	0.7
459.22675	3.1
460.18607	0.8
461.19946	1.4
473.19128	1.1
473.24658	0.7
474.20331	6.5
475.21213	7.7
477.22937	0.4
478.23593	0.4
487.21469	3.3
488.21893	1.0
491.21008	1.2
501.22910	1.7
502.23096	0.4
505.25381	1.2
518.23352	0.6
519.20215	0.4
533.25494	14.9
534.25812	0.8
561.24963	23.7
562.25287	1.5
565.27643	0.5
589.24304	0.6
593.27582	3.2
621.27045	100.0
622.27344	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	621.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32816	0.5
60.47842	0.5
62.57605	0.5
65.03937	1.1
67.05495	1.2
69.03426	1.5
69.07068	0.9
69.13136	0.5
70.58852	1.9
70.59194	0.5
71.04974	0.6
79.05492	1.4
81.07053	0.8
83.08562	0.5
84.28990	0.5
85.02914	2.1
86.03206	0.5
91.05471	1.7
93.07060	2.0
95.08614	1.3
97.02873	1.0
105.07038	1.5
107.04984	1.2
107.08578	1.3
109.10178	0.5
119.08589	1.3
121.02899	1.0
121.10166	1.2
123.04407	1.1
124.35929	0.5
127.03937	1.5
131.08546	1.2
133.06535	0.6
133.10133	1.0
145.10168	0.6
147.04404	0.8
149.02315	6.2
149.03362	0.8
152.06343	0.9
153.07024	0.8
155.08548	0.7
159.11716	0.6
161.05965	0.6
163.07588	2.1
164.25964	0.6
168.05728	2.5
169.06480	1.0
170.07309	1.1
173.09657	0.7
181.06497	1.8
182.07196	0.7
183.04477	1.6
187.11351	0.6
193.05035	3.0
196.05252	2.3
197.05991	2.1
198.06841	1.1
200.35422	0.6
202.06241	1.1
205.12219	7.9
210.06912	0.9
211.03934	1.4
211.07570	1.9
211.96425	0.5
213.09142	0.8
224.04655	2.9
225.05382	0.8
226.06252	3.4
229.04837	1.2
230.05841	1.6
241.08600	1.9
253.05070	2.3
254.05664	4.6
258.05273	4.4
265.05005	0.6
269.08170	1.7
277.08859	0.7
282.05209	3.8
283.05890	3.1
291.06607	2.3
295.06100	1.1
296.06705	1.3
297.07571	12.6
305.07996	1.0
321.11209	2.6
369.24030	0.6
370.08093	0.6
388.25513	0.7
403.09708	0.7
429.09973	1.6
451.12344	0.6
483.14597	2.0
507.85370	0.7
546.16309	0.6
579.28192	0.6
589.18939	1.1
591.16388	4.2
605.18079	0.9
606.19623	0.8
621.21246	100.0
622.21387	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	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
53.04150	1.0
55.01624	1.0
55.01868	15.0
55.05291	0.8
55.05507	8.9
57.03435	6.0
57.07069	2.0
61.02906	2.7
65.03929	2.2
67.01846	1.0
67.05500	43.0
69.03426	37.2
69.03805	2.0
69.07056	8.8
71.04594	0.9
71.04984	13.4
71.60490	0.9
73.02914	9.3
79.05051	1.5
79.05489	27.1
81.03415	35.3
81.07053	48.7
83.04966	3.0
83.08617	4.0
85.02899	17.7
85.06552	0.9
91.05469	14.2
93.06463	1.7
93.07040	31.8
95.04965	3.7
95.08603	37.4
97.02883	37.6
97.06515	2.2
97.10143	2.2
99.04449	66.7
100.04765	0.8
101.02365	3.9
105.07019	11.5
105.52036	0.9
107.08580	18.1
109.02872	37.6
109.06494	1.4
109.09449	1.4
109.10151	21.6
111.04439	10.6
111.08059	2.0
117.07022	5.3
119.08589	10.3
121.06530	1.3
121.09296	1.6
121.10131	19.3
123.08038	1.4
123.11697	11.2
127.03909	100.0
129.05476	2.5
129.06937	0.9
131.08571	10.8
133.10117	11.3
135.11687	13.7
137.09608	1.4
137.13225	4.4
139.11160	1.0
143.08516	2.5
145.04944	18.8
145.10118	7.7
147.11687	6.9
149.09581	0.8
149.13260	7.2
151.14807	0.9
157.10132	1.6
159.11681	7.7
161.09612	0.8
161.13240	5.6
163.14787	3.9
165.12663	1.2
169.10127	1.3
171.11707	1.2
173.11987	1.1
173.13214	5.7
175.14793	2.4
177.12735	1.2
180.08609	1.3
181.42673	0.8
185.13249	1.7
187.14821	3.7
189.12814	1.0
201.16373	1.3
241.19490	2.5
243.21078	6.1
259.20569	7.1
261.22092	23.2
273.22385	1.1
277.21661	9.5
279.23245	5.1
287.16367	0.9
303.23331	1.3
315.23120	2.3
323.03067	0.8
329.24805	0.9
339.23169	1.2
341.24765	2.5
351.23282	2.0
352.25928	0.9
353.19730	0.9
355.19366	0.8
357.24268	4.4
369.24173	9.3
375.25183	1.1
387.25372	6.4
394.29364	1.5
405.26248	12.1
423.27402	61.3
424.27747	1.1
436.82614	0.9
620.21564	1.6
620.38605	2.0
621.21246	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.05510	42.0
57.07081	5.9
65.03947	3.7
65.25732	2.8
67.05505	29.7
69.03419	14.4
69.07073	18.0
71.04980	9.7
71.60638	3.9
79.05484	27.8
81.07058	47.9
83.04974	17.8
83.08618	65.4
85.06534	11.5
85.28248	3.3
87.04461	8.6
91.05481	51.1
93.07047	58.3
95.04970	32.8
95.08594	37.1
97.06527	28.8
99.04470	6.1
99.86877	2.9
103.05482	3.6
104.10738	5.9
105.04478	4.3
105.07030	100.0
107.04964	7.9
107.08589	63.2
109.06538	17.5
109.10147	29.5
111.08077	7.5
113.09619	12.9
115.05468	4.3
117.07000	24.6
119.08577	79.9
121.06495	9.4
121.10146	54.8
123.08048	19.6
123.11672	8.7
125.09649	23.2
128.06221	14.0
129.06985	17.8
130.07777	6.5
131.08571	50.6
132.09377	3.9
133.06494	4.5
133.10126	46.0
135.08006	12.5
135.11696	8.7
137.09584	6.9
139.11151	17.6
141.06976	14.6
141.09071	3.2
142.07758	26.6
143.08557	45.8
143.30054	2.9
144.09317	13.6
145.06450	8.0
145.10110	76.3
147.08043	13.8
147.11691	19.5
149.09604	13.8
149.13257	5.1
153.07071	4.4
153.09171	4.2
155.08537	17.8
155.10648	12.8
156.09322	25.1
157.10126	73.7
158.10825	7.6
159.08031	17.8
159.11707	29.8
160.08820	12.6
161.09636	14.9
161.13210	3.6
162.34377	2.9
163.11169	12.0
165.07008	9.7
166.07831	4.5
167.08536	11.4
167.10666	18.7
168.09393	8.2
169.10101	32.1
170.10912	9.5
171.11673	37.1
172.12392	5.9
173.09637	9.8
173.13255	16.8
175.11186	7.9
175.14839	4.6
177.12743	4.3
179.08600	8.2
179.14297	5.7
180.09384	7.2
181.08722	3.7
181.10056	19.3
181.12219	23.4
182.10883	10.8
183.11697	25.2
183.13353	3.5
183.13765	3.1
184.12508	6.1
185.09634	5.2
185.13242	23.1
186.14034	5.4
187.11238	4.9
187.14818	10.9
189.12790	5.0
190.13461	3.1
191.14319	10.9
193.10143	16.7
194.10844	8.4
195.11685	27.1
196.12457	10.9
197.13284	33.8
199.11246	6.9
199.14847	16.2
201.12811	5.5
203.14233	7.7
206.10941	4.3
207.11714	15.2
207.13570	5.2
208.12483	9.0
208.14510	4.3
209.13286	26.7
209.15167	5.1
210.14107	3.9
211.11188	3.9
211.14812	19.6
213.12767	8.6
213.16379	10.0
215.14268	18.9
217.10136	3.3
217.12125	3.1
219.11726	5.7
220.12463	9.6
221.13228	12.9
221.15401	24.4
222.13980	5.0
223.14827	11.1
225.12823	4.0
225.14835	9.2
225.16614	7.4
227.14268	7.2
229.15819	4.9
231.11754	4.5
231.17537	3.3
233.13229	11.4
233.15387	38.8
234.13847	5.0
234.15982	5.3
235.14868	12.0
237.12723	5.7
237.16490	8.8
239.14293	4.7
239.17798	5.1
245.13226	6.0
247.14810	6.5
247.17033	6.2
249.16354	11.6
251.18069	5.4
253.15994	5.0
253.19246	3.1
255.17494	37.2
259.14771	3.7
261.16318	8.0
263.17978	5.6
265.19574	5.3
268.18420	3.8
269.18948	5.9
270.19724	11.7
271.20584	3.6
273.18475	7.2
275.17932	7.8
281.18906	7.0
282.19547	3.8
283.01959	5.1
283.20630	6.2
284.20947	3.9
286.19302	3.6
289.19598	4.3
297.22089	3.7
299.20035	6.6
303.19977	3.1
311.19846	5.0
319.20685	3.7
334.22858	3.9
337.25269	8.6
349.25131	3.8
359.23666	3.7
365.24646	5.2
367.26404	10.7
381.69638	3.0
383.25854	13.5
414.29034	3.9
457.30902	6.4
582.40955	5.5
600.41357	7.4
618.42987	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01876	3.2
55.05503	22.6
57.03431	3.9
57.07067	8.8
61.02889	2.8
64.69391	2.8
65.03929	3.0
67.05496	46.4
69.03410	19.1
69.07061	35.9
70.04400	15.8
70.45078	3.0
71.05007	4.4
71.08624	3.0
74.50498	3.0
79.05485	37.3
81.03404	16.7
81.07048	100.0
83.04985	5.0
83.08626	18.2
85.02894	20.0
87.04469	4.8
90.69543	2.8
91.05473	24.1
93.07031	51.3
95.04968	5.0
95.08604	84.7
97.02877	8.4
97.10155	9.4
99.04441	5.4
105.07014	44.0
107.04920	3.1
107.08578	54.7
107.09283	3.5
109.02881	6.1
109.06567	3.3
109.10138	52.0
115.03927	2.9
117.07040	7.4
119.08562	43.2
121.06547	4.5
121.10127	47.9
123.11696	91.7
127.03909	11.9
129.06975	3.8
131.08559	24.5
133.10104	41.9
135.11699	28.1
137.13245	12.6
143.08566	11.0
145.10098	33.1
147.11681	20.5
149.13242	18.1
155.08546	3.7
157.10132	11.7
157.41940	2.9
159.07939	3.3
159.11679	28.7
161.13252	17.2
163.14847	12.4
169.10074	6.9
171.11681	15.3
171.89447	2.8
173.13235	22.5
175.14761	16.6
177.16321	16.7
181.10107	3.4
183.11729	4.6
185.13287	8.6
187.14738	13.6
189.12813	3.5
189.16411	7.3
197.13185	3.0
199.14807	6.9
201.16362	6.8
211.14891	5.9
213.16423	5.5
225.16251	3.5
227.17940	3.2
241.19534	3.0
259.20627	3.5
299.27216	3.4
301.25217	3.4
311.46402	3.4
313.25287	7.0
315.26730	5.9
325.99249	3.2
327.26712	3.6
335.25659	4.0
403.25208	4.2
405.26886	3.4
421.26199	3.6
437.37857	5.7
455.38800	7.8
459.30887	5.7
477.31915	9.6
479.29233	3.0
493.31693	8.2
552.42200	2.8
563.40887	5.2
581.42236	17.5
599.42725	38.7
599.50781	2.7
600.43201	4.6
617.43756	53.1
617.51770	5.0
618.44196	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05501	12.0
56.85044	1.4
57.03438	3.2
57.07085	2.7
60.78225	1.6
61.29356	1.5
65.03936	1.6
67.05503	38.8
69.07060	14.6
69.96027	4.4
69.96443	4.7
71.08610	1.9
72.67696	1.2
73.04616	1.5
79.05487	16.6
81.07050	37.2
83.08614	9.4
91.05475	15.7
93.07028	22.9
95.04955	2.8
95.08605	27.4
97.10165	5.5
98.21384	3.0
105.07015	14.3
107.08604	15.4
109.10155	13.8
111.08114	1.5
117.07059	4.3
119.08579	14.8
121.10145	14.9
123.11697	5.9
129.06996	1.9
129.29521	1.4
131.08574	9.0
133.10104	12.0
135.11679	10.0
143.08618	1.9
144.85152	1.4
145.10086	7.9
147.11703	8.4
148.46381	1.4
149.13292	6.1
157.10133	1.9
159.11725	5.0
161.13318	4.4
163.14868	4.3
171.11678	2.4
173.13300	6.2
175.14900	4.0
185.13280	2.3
187.14803	3.7
197.13292	1.8
205.19527	1.5
215.17953	1.7
259.20660	3.7
261.22198	6.6
275.23727	1.6
279.22949	1.8
335.25751	8.4
337.27179	10.2
339.29205	1.9
372.39255	1.8
523.44904	2.7
541.45776	2.1
597.48944	11.4
615.49805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
57.07070	32.1
67.05493	1.9
69.37012	6.8
69.37451	5.7
71.08630	25.2
73.06553	8.7
75.02551	1.1
81.07026	1.4
83.08616	5.5
85.09708	2.1
85.10181	27.6
87.04480	6.9
89.06030	100.0
90.75499	1.3
93.07037	2.2
96.43243	1.3
99.11708	3.7
105.07069	1.3
107.07050	5.9
117.09135	9.0
119.08584	2.2
121.10124	2.6
130.08621	5.3
131.07014	2.9
133.08597	53.1
135.10190	2.0
141.16364	5.5
151.07574	1.5
161.11710	2.6
177.11215	24.6
185.19069	7.7
221.13821	4.2
226.21582	2.1
229.21620	13.9
239.15031	1.7
270.98184	1.4
273.24240	10.2
283.17422	4.1
327.20605	1.3
459.27969	3.6
467.36148	1.3
563.53345	1.4
599.43481	11.7
611.65649	1.5
616.35168	1.4
616.46313	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	615.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05510	10.2
57.07072	8.0
58.76735	2.5
59.04995	10.9
67.05515	16.0
69.03423	4.2
69.07069	6.8
70.67354	5.3
70.67747	5.8
71.04976	3.5
73.41273	2.2
79.05487	14.5
81.07040	18.5
83.04981	3.2
83.08612	3.4
85.06544	15.3
91.05473	25.6
93.07034	36.4
95.04954	8.6
95.08599	32.3
99.08084	3.5
105.07034	36.4
107.08587	27.6
109.06514	5.6
109.10165	13.2
111.08122	5.9
117.07029	9.5
119.08569	47.8
121.06495	4.9
121.10139	20.4
123.08068	25.8
123.11726	4.1
125.09615	11.8
129.07037	6.8
130.07802	3.0
131.08560	18.3
133.10118	34.6
135.08069	7.4
135.11736	11.6
137.09625	7.6
142.07773	5.2
143.08572	12.0
145.10117	20.5
147.08041	12.6
147.11653	13.3
148.28816	2.7
149.09601	9.1
149.13292	2.9
151.07536	35.2
151.11176	11.1
155.08580	4.1
156.09283	4.2
157.10141	17.8
159.11679	16.6
161.09631	9.0
161.13339	6.1
163.11212	7.9
165.09103	29.4
167.08537	3.3
168.09302	2.4
169.10136	10.5
171.11729	9.9
173.09656	2.9
173.13225	12.3
175.11171	6.8
175.14807	13.4
179.08640	2.8
179.10719	2.6
181.10277	2.1
181.12302	9.7
182.10980	2.9
183.11719	7.0
183.70708	3.2
185.13229	5.9
187.11218	4.0
187.14816	5.4
189.12798	9.5
191.14357	3.1
195.11748	6.4
196.12476	2.9
197.13281	9.2
199.14862	4.0
201.16331	3.2
203.14339	15.6
207.11964	4.6
207.13867	12.7
208.12456	3.6
209.13306	8.3
211.13318	5.9
215.14366	3.1
219.11861	3.4
221.13383	3.6
221.15347	61.5
223.14926	4.8
223.16997	7.8
229.16008	3.2
235.14929	6.8
263.17819	3.0
264.85291	2.5
286.19254	3.6
287.20178	3.4
299.20224	4.4
301.21860	3.1
307.20584	3.4
375.27057	3.8
484.18118	2.7
491.35318	9.7
565.40375	3.7
583.41431	27.2
597.42719	11.4
615.44135	100.0
616.44489	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	615.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
67.05490	0.8
69.03430	0.9
69.07049	1.2
69.39647	4.1
69.40068	1.9
72.45715	0.6
79.05504	0.9
81.03406	0.9
81.07046	1.7
85.02901	1.8
85.59885	0.6
91.05475	1.5
91.65479	0.6
93.07039	1.8
95.01926	0.7
95.08619	1.6
97.06485	0.7
102.26257	0.6
105.07027	1.1
107.08607	1.6
109.10159	1.6
116.41803	0.8
117.07024	0.8
119.08567	1.1
119.95789	0.8
121.06514	0.6
123.04424	1.1
127.04030	0.8
129.07016	0.8
133.10172	0.8
137.05930	1.8
145.10104	1.0
147.04408	1.2
147.11707	0.9
149.05992	0.8
149.09592	0.6
150.14868	0.7
152.70580	0.6
153.05478	0.7
157.10066	0.8
161.02962	0.8
167.07042	2.1
173.02956	1.5
175.04445	0.7
181.04872	1.0
186.06557	0.7
191.03418	1.2
191.07018	1.1
197.06128	0.6
243.04677	0.9
261.30396	0.8
275.06125	1.0
287.03693	1.0
297.07632	1.0
328.24152	0.8
339.04480	0.7
349.26157	1.4
351.28625	1.0
367.27557	3.6
409.27914	1.9
463.13971	1.2
483.06903	0.8
511.32410	2.0
529.33185	4.2
553.33258	3.7
571.21387	1.1
571.34357	13.3
597.32404	5.0
615.17712	4.0
615.33417	100.0
616.20294	0.8
616.33380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07470	0.2
66.89771	0.2
67.05503	0.4
69.03432	0.5
71.63624	0.4
76.02206	0.5
76.12124	0.2
77.00924	0.5
79.05489	0.4
81.03419	0.3
81.07036	0.4
85.02872	0.4
90.05495	0.3
91.05487	0.3
93.07024	0.6
95.01952	0.5
95.08586	0.4
105.07014	0.6
107.04975	0.3
107.08598	0.3
109.10133	0.4
119.01880	0.4
121.10126	0.3
123.04459	0.6
127.00021	0.3
131.08571	0.2
133.10162	0.3
133.70837	0.2
137.05954	0.3
137.63412	0.3
158.02718	0.6
161.02968	0.7
167.07066	0.8
173.06590	0.4
175.04504	0.3
181.05022	0.4
185.04201	0.3
193.06483	0.7
194.06795	0.3
201.05449	0.3
227.03302	0.5
227.05353	0.3
241.08733	0.6
243.04713	1.6
245.06451	0.4
251.07021	0.4
269.08209	0.6
271.04218	0.3
271.15961	0.3
287.03732	1.8
289.05142	0.5
297.07547	1.4
331.24911	1.0
349.25916	3.9
351.28607	0.6
365.25394	0.4
367.27582	2.7
372.27560	0.3
373.25995	0.2
391.27332	0.3
409.27969	1.2
421.27637	0.3
451.28958	0.4
463.13959	1.5
493.31122	0.5
511.32288	2.6
529.33331	4.1
535.32513	1.8
541.33789	0.5
553.33478	3.3
571.34369	10.8
572.34442	0.4
579.31372	1.7
597.17297	0.4
597.32404	11.3
598.32983	0.4
615.33417	100.0
616.33716	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46136	0.3
61.38181	0.3
67.05510	0.5
67.42892	0.3
69.07081	0.4
69.35397	0.8
69.35815	2.5
81.07050	0.7
81.17386	0.4
85.02907	0.4
91.05510	0.3
93.07027	0.6
95.01982	0.3
95.08609	0.6
105.07056	0.3
107.04968	0.4
109.10142	0.5
119.08555	0.4
123.04430	0.3
124.05233	0.4
137.05933	0.5
151.03912	0.3
161.03024	0.4
167.07127	1.0
181.04973	0.7
191.07179	0.3
227.05273	0.7
243.04787	2.4
245.06409	1.4
270.82037	0.4
287.03741	2.3
289.05243	2.3
327.15582	0.3
331.24838	3.4
349.26340	2.2
351.28760	0.8
367.28171	2.0
373.26108	0.4
409.27994	1.3
451.29120	0.4
493.31223	0.8
499.32162	0.3
511.32257	1.7
523.32263	0.5
529.33148	3.0
535.32489	2.3
541.33624	0.6
553.33521	4.0
571.34497	11.3
572.34540	0.6
579.31232	3.3
597.32446	19.0
598.32635	0.9
615.33447	100.0
616.33917	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.10949	0.6
53.03933	1.3
55.01887	0.8
55.05253	1.3
55.05507	14.0
57.03436	4.5
57.07082	3.8
65.03942	1.7
67.05502	39.1
69.07063	16.5
69.35909	0.6
70.75995	2.1
71.04975	1.2
71.08650	0.7
77.03904	0.7
79.05489	19.9
81.07053	45.8
83.08617	8.4
85.06532	1.1
87.03838	0.6
89.10070	0.6
91.05476	16.6
93.07035	26.0
95.04979	2.5
95.08600	35.5
96.08933	0.8
97.06543	1.8
97.10168	5.4
99.08078	1.1
105.07024	16.8
107.08591	17.4
107.09290	1.3
109.06557	1.0
109.10145	19.6
111.08065	1.4
111.11724	1.2
117.07005	7.7
119.08570	17.6
121.10132	15.5
121.10999	0.7
123.08077	0.8
123.11688	7.2
125.09580	0.8
129.06979	3.5
130.07784	1.0
131.08548	13.8
133.10124	15.4
135.11679	12.0
137.13248	3.1
139.11185	0.8
141.19922	0.6
142.07637	0.7
143.08543	4.4
145.10123	13.1
145.98396	0.7
147.10623	0.5
147.11679	11.9
149.13255	6.3
151.14804	1.1
153.12732	0.6
155.08577	1.5
157.10091	5.0
159.11688	12.0
161.13245	8.4
163.11148	0.7
163.14838	3.5
165.16557	0.8
169.10129	2.4
171.11690	4.8
173.13261	8.9
175.14827	4.6
177.16389	1.5
181.10152	0.9
183.11656	1.2
185.13173	3.2
187.14757	5.6
189.16420	2.4
195.11713	1.0
197.13335	0.8
199.14848	2.7
201.16393	3.1
203.17896	1.4
211.14879	0.9
213.16446	1.7
215.17984	1.8
217.19493	0.7
225.16418	1.2
227.18158	0.9
229.19572	1.6
231.21066	1.1
233.18806	0.7
237.16341	0.7
239.17937	1.0
241.19550	3.0
243.21036	1.4
245.22610	1.1
249.18439	0.7
257.19083	0.8
259.20572	6.7
261.22113	8.9
263.23676	1.1
273.22241	1.0
281.21317	0.7
285.22000	1.3
299.23724	1.5
301.25229	1.1
311.23630	0.9
313.25290	0.9
315.26877	0.8
317.24866	1.3
327.26831	0.8
333.24197	4.1
335.25784	12.7
337.27423	7.0
347.26236	0.8
361.27567	0.8
379.29825	0.7
402.63031	0.7
418.75705	0.7
435.86609	0.7
489.36087	1.5
503.37259	1.9
515.37122	0.8
517.38550	1.1
521.43292	4.9
529.38959	1.1
531.39935	0.9
539.44623	2.7
543.40375	1.6
595.47083	8.8
613.48230	100.0
614.48663	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03942	1.3
54.07184	0.5
55.01857	0.8
55.05504	16.3
57.03429	5.9
57.07069	3.3
65.03928	2.4
67.05498	54.4
68.71875	0.7
69.03456	0.7
69.07064	20.6
69.07442	1.1
71.04987	2.0
71.08638	1.3
77.03946	0.6
79.05486	26.8
81.07050	58.8
83.04983	1.6
83.08616	10.4
85.06541	1.8
91.05473	22.0
93.07034	37.2
95.04987	3.3
95.08598	52.8
97.06519	3.3
97.10149	6.6
99.08070	1.9
105.07024	25.4
107.08583	25.2
109.06522	1.8
109.10146	27.4
111.08061	2.0
111.11722	1.0
117.07007	10.6
119.08572	25.5
121.06506	0.6
121.10134	23.5
123.08076	1.7
123.11695	9.9
125.09616	0.8
129.06996	4.0
131.07585	1.3
131.08557	21.1
133.10120	22.1
135.11674	17.0
137.09613	1.3
137.13292	3.2
139.11119	0.9
141.06929	0.9
143.08530	7.4
145.10115	18.9
147.11674	17.4
149.09642	0.9
149.13255	9.9
151.14793	1.1
153.12778	0.6
155.08604	2.1
156.09422	0.7
157.10132	7.6
159.11671	17.3
161.13248	12.2
161.14604	0.9
163.14792	6.1
169.10098	3.4
171.11685	6.7
173.13252	12.3
175.14815	5.2
177.12759	0.8
177.16414	2.3
181.10150	1.4
183.11713	3.4
185.13228	6.5
187.14803	7.3
187.84668	0.6
189.16327	2.8
191.14325	0.7
191.17947	1.4
195.11771	1.4
197.13264	1.1
199.14844	4.9
201.16425	3.8
203.17986	2.5
211.14824	1.4
213.16420	3.5
213.53613	0.6
215.17978	2.9
217.19580	1.5
225.16382	2.0
227.18028	1.5
229.19560	1.7
231.21121	1.6
241.19743	3.5
243.21071	3.0
245.22708	1.2
257.18915	1.0
258.23651	0.6
259.20541	7.4
261.22079	10.1
263.20029	0.7
263.23700	0.7
271.20618	1.0
273.22101	1.5
275.23767	0.8
285.22128	1.0
287.23691	1.7
289.21774	1.1
289.25021	0.8
291.23410	0.7
299.23755	2.2
301.25351	0.9
309.24417	0.9
313.25470	0.8
315.23373	1.0
315.26788	1.1
317.24673	1.5
325.25281	0.9
327.26831	0.8
333.24292	4.4
335.25809	11.7
337.27322	8.0
341.28540	1.2
347.25861	0.9
355.30115	1.5
383.33148	0.9
387.28937	0.8
400.72409	0.7
477.35583	1.0
489.36160	1.5
503.36856	0.9
505.38800	0.9
517.39441	0.7
521.43378	5.6
529.39044	1.0
539.44336	2.7
543.40625	1.6
557.42719	0.7
567.44672	0.7
571.43811	0.8
595.47125	10.4
613.48199	100.0
614.48309	2.1
635.56512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81117	0.3
56.78762	0.3
56.96530	0.3
70.95434	0.7
73.37093	0.3
73.74986	0.3
79.05467	0.4
81.03419	0.3
81.07054	0.7
82.18783	0.3
84.96028	0.3
85.02895	0.5
93.07058	0.4
95.04946	0.6
95.08580	0.4
107.04826	0.3
107.08549	0.5
115.05450	0.3
122.74586	0.3
123.04449	0.3
131.04893	0.6
133.67163	0.3
137.05966	1.0
145.10141	0.4
147.04497	0.5
149.87706	0.3
167.07005	2.9
173.06032	0.7
181.04987	1.2
191.07010	0.9
243.04718	1.2
245.06288	0.4
276.34796	0.3
287.03833	0.5
307.21365	0.6
313.19250	0.4
329.23553	0.4
331.26001	0.6
335.25421	0.4
347.24414	3.1
349.27097	3.7
365.26373	6.0
393.25812	0.6
407.26569	1.7
417.15579	0.5
431.11121	0.5
451.10098	0.5
459.10574	0.6
509.30872	1.7
527.31805	7.3
537.11340	0.4
539.31818	1.0
551.32123	1.7
565.10132	0.5
569.32825	20.3
595.15826	2.9
595.30566	2.3
613.31854	100.0
614.32196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58456	1.8
53.21934	2.0
54.50003	1.6
56.96288	2.2
56.96560	35.0
65.14442	1.7
67.05493	2.0
70.41276	3.9
70.41673	3.9
71.95244	2.4
73.19629	1.9
79.05431	2.3
84.96024	3.8
98.97570	50.3
110.97565	3.0
112.99126	7.9
116.98613	48.4
116.99434	3.4
128.98627	8.7
131.00154	36.3
134.99643	34.9
140.00189	5.5
140.98599	2.6
143.00183	5.7
143.01273	1.7
146.99641	8.7
149.01207	64.0
153.00703	4.4
154.01736	2.9
158.01251	4.4
158.99648	20.8
161.01212	15.2
165.00679	2.2
167.02303	9.3
170.99623	3.5
172.02823	10.7
173.01210	8.7
175.02740	2.4
176.02306	1.9
176.99149	3.0
177.00702	60.1
179.02356	3.7
184.02917	3.1
185.01225	3.0
189.00795	4.1
190.03928	2.1
191.02264	12.1
195.01657	9.6
199.02792	9.2
200.02309	15.4
203.02248	7.4
209.01256	3.1
214.03893	2.3
215.02269	3.7
217.03860	9.3
219.01813	9.9
227.02324	3.8
233.03275	4.7
237.02797	5.7
240.05327	4.1
255.03909	2.2
275.04398	14.0
279.12787	2.1
293.05417	53.9
311.06491	13.6
316.07126	17.3
317.14108	4.4
317.17847	91.3
334.07999	4.7
335.18936	47.4
358.20557	25.8
361.35516	2.1
375.90802	1.9
377.19977	10.0
391.21652	2.6
403.21564	4.3
414.49042	2.4
497.24112	7.4
535.12030	2.1
553.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69646	1.3
56.96558	24.1
60.38752	1.4
62.61645	1.5
74.97633	1.6
79.05498	1.7
81.07043	2.3
84.96029	3.8
93.07031	2.4
98.21552	3.1
98.97572	35.4
105.07031	2.7
107.66595	1.4
112.99078	7.0
116.98621	35.5
121.10129	1.7
128.98579	3.4
131.00150	25.6
133.10141	2.3
134.99635	23.3
140.00227	2.5
143.00153	3.2
146.99641	6.3
149.01212	42.4
153.00696	3.7
154.01788	2.5
158.01237	5.2
158.99644	17.2
161.01233	10.5
162.99194	2.1
167.02245	10.3
170.99670	2.3
172.02780	6.8
173.01234	4.4
175.02811	3.2
177.00694	36.6
184.02718	1.8
185.01186	2.1
189.00737	3.6
190.03841	3.2
191.02249	8.9
195.01726	4.9
199.02750	6.3
200.02309	9.8
203.02252	5.4
209.03275	2.0
215.02213	2.0
217.03819	4.8
219.01750	5.6
227.02348	3.1
233.03264	2.5
237.02827	4.6
240.05475	2.1
275.04300	8.4
293.05405	37.3
311.06567	10.8
316.06995	9.7
317.17859	60.0
334.08023	6.0
335.18900	34.7
358.20425	14.0
359.18777	1.8
377.19946	9.9
391.21381	3.4
407.02008	1.5
497.24005	6.9
537.05908	1.9
553.26807	100.0
606.95428	1.7
620.53668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05261	1.3
55.05511	14.0
57.03438	5.9
57.07057	3.2
62.23327	1.0
65.03927	1.2
67.05499	32.7
69.07061	13.8
71.07646	2.8
79.05487	21.5
81.07047	33.6
83.08613	7.1
85.06540	1.9
87.51584	1.3
89.06024	1.1
91.05466	25.0
93.07034	31.0
95.04962	3.9
95.08599	27.7
97.06545	2.9
97.10144	3.9
105.07023	24.9
105.07677	2.1
107.08588	19.5
109.06557	1.3
109.10149	13.7
117.06984	10.7
117.07592	1.0
117.30379	1.1
119.08570	21.6
121.10143	13.0
123.08105	1.8
123.11719	4.3
128.06277	1.8
129.06990	8.2
131.08565	16.4
133.10109	16.0
133.10959	1.7
135.11684	9.2
137.13249	1.6
141.07002	1.6
142.07727	1.4
143.08543	8.7
145.10121	19.4
147.11691	13.3
147.75499	1.3
149.13235	6.1
150.74394	1.2
151.14771	1.2
153.12674	1.2
155.08569	3.1
155.35867	1.4
157.10098	10.1
159.11700	13.5
161.13260	9.2
163.14873	1.9
169.10141	5.1
171.11681	10.1
173.13271	7.8
175.14865	4.8
177.16501	1.1
181.10143	2.9
183.11678	5.4
185.13187	7.5
187.14749	5.8
195.11752	1.8
197.13310	5.0
199.14819	6.4
201.16394	4.0
211.14786	3.6
213.16470	2.9
215.17953	1.4
225.16362	1.3
227.17995	2.6
237.16405	1.6
239.18095	1.3
241.19614	8.6
253.19574	1.8
257.19138	2.0
259.20572	12.9
261.22256	3.0
299.23630	1.5
331.22632	1.3
333.24124	7.3
335.25781	12.8
367.29987	1.4
519.42169	6.6
537.43164	3.0
541.38867	1.7
545.41962	1.4
593.45538	8.3
611.46631	100.0
612.46924	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
53.67933	1.3
55.01856	4.2
56.51177	1.5
57.03187	1.6
57.03437	20.4
61.02927	10.9
69.03069	2.3
69.03426	34.0
69.58530	4.4
69.58961	6.8
71.01354	3.8
71.04968	2.2
73.02915	40.2
81.03429	7.3
83.04945	1.9
84.08143	1.5
85.02900	100.0
87.04473	4.3
91.03957	6.3
91.05438	2.6
93.07074	2.0
95.04963	1.9
97.02885	50.1
98.97559	1.8
99.04435	4.2
101.05996	1.8
103.03910	1.9
103.05428	1.5
105.07031	2.0
107.04951	3.4
107.08582	1.3
109.02875	6.4
115.03934	23.2
121.06497	60.1
123.04427	1.9
125.54749	1.2
127.03916	31.6
129.07002	1.7
131.04898	1.5
132.92769	1.4
133.04962	7.6
137.05957	1.9
139.58560	1.3
145.04958	52.6
145.06427	7.1
151.07516	1.7
153.05460	1.6
157.06546	2.2
159.08095	6.6
163.06017	21.9
163.07413	2.7
169.06372	1.4
171.08092	2.0
175.07532	5.4
177.05432	2.2
179.07031	4.8
185.05969	1.7
187.07538	31.4
201.09229	1.7
205.08606	27.9
217.08601	6.6
223.05968	3.2
229.08620	14.9
235.09689	7.9
237.69380	1.3
241.07025	6.6
247.09627	19.6
253.10616	6.9
259.08115	4.2
265.10681	23.6
295.10205	14.5
301.12875	12.4
307.67929	1.5
325.11316	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	613.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.4
56.96545	4.4
57.03415	7.3
69.03432	5.4
71.04966	2.8
71.61003	3.8
72.53295	2.1
73.02900	4.3
74.00124	1.9
81.03416	10.7
85.02892	25.4
87.04514	2.0
91.05467	3.9
93.03399	13.9
93.07092	2.5
95.04964	7.5
97.02898	11.3
103.03944	2.9
103.05466	3.1
105.03373	2.9
105.07027	5.1
107.04961	20.2
109.02882	13.5
109.06480	2.9
111.04443	5.5
112.70731	2.5
115.05443	2.5
119.04949	5.4
121.02866	19.8
121.06487	2.6
123.04419	12.4
127.03899	5.4
129.06981	2.9
131.04935	6.1
133.06448	4.8
135.04433	22.8
137.02295	5.4
137.05972	10.9
139.03876	7.1
145.02827	6.0
145.06416	3.7
147.04393	9.9
149.02318	6.9
149.05956	7.1
151.03911	7.2
151.94229	2.3
153.01810	3.4
157.06511	2.6
158.99570	2.0
159.04408	8.9
161.02309	3.7
161.05971	9.3
163.03908	21.8
165.01823	5.2
165.05499	2.4
171.02921	2.8
171.04382	3.0
173.02332	3.0
173.06010	8.9
175.00241	3.2
175.03946	4.9
175.07442	2.6
177.01862	12.7
177.05486	13.9
178.71149	1.9
179.03500	2.4
183.02850	4.9
187.03856	7.3
187.07465	2.1
189.01817	18.2
189.05476	4.7
191.03404	15.8
193.04974	2.7
195.02885	41.7
201.01799	4.5
201.05412	10.6
203.03436	13.8
203.06934	2.3
205.01299	5.4
205.04829	4.9
207.02925	37.2
209.04463	5.2
213.05435	4.9
215.03409	13.0
217.04860	5.4
219.02882	87.1
221.00864	4.3
221.04485	6.5
223.02327	14.1
225.03899	31.9
225.05685	3.0
227.03355	3.8
229.04948	16.9
231.02911	37.4
233.04468	19.4
235.02275	3.0
237.03996	27.0
241.04919	3.6
243.02922	22.8
243.06601	3.2
245.04370	8.5
247.06020	5.3
249.03908	27.7
251.05569	3.0
253.04944	3.8
255.02893	7.2
257.04443	15.8
259.02240	4.4
259.05957	2.6
261.03946	100.0
269.04388	6.5
271.05911	6.9
273.03912	31.7
275.05579	3.4
276.07550	2.2
281.04395	3.3
285.03931	38.3
287.05399	6.1
291.04974	25.9
295.06030	5.1
297.03864	12.3
299.05542	7.9
303.04987	35.4
309.03784	4.6
311.05267	3.5
313.07086	14.9
315.04810	10.4
321.06186	19.0
325.07184	5.2
327.04968	38.7
337.06854	3.9
339.07376	29.5
341.06567	4.5
343.04797	2.7
343.08197	28.6
345.06064	8.7
355.08136	33.6
357.06009	8.7
363.07089	28.1
367.08072	14.6
369.06100	6.8
373.09067	6.0
375.07166	5.4
379.08054	9.5
387.07031	7.9
393.08148	10.8
395.13562	2.4
397.09149	35.3
405.08084	31.1
406.08029	2.7
409.09262	26.5
421.09055	16.5
423.09216	12.9
425.08636	3.9
427.10312	13.1
433.09384	6.0
439.10129	18.1
441.10358	21.7
443.09717	5.3
445.11258	33.5
457.11267	27.4
463.10214	24.5
475.12424	37.0
481.11255	13.6
493.11670	5.4
499.12402	15.4
505.10986	3.0
511.12402	20.4
523.12085	9.1
541.12994	15.7
559.14203	14.1
595.20923	3.2
596.23132	2.4
613.21869	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12617	0.7
51.02368	0.7
53.03939	1.5
55.01862	1.2
55.05510	13.1
57.03431	4.4
57.07063	2.6
61.90905	0.7
62.94275	0.5
65.03944	1.7
65.68509	0.6
66.70759	0.6
67.05500	36.9
69.03452	0.8
69.07066	13.6
69.07409	1.4
70.88480	1.0
70.88786	1.0
71.04984	2.1
71.08633	1.0
79.05489	23.5
80.05855	1.1
81.03435	0.8
81.07052	38.1
83.04979	1.4
83.08611	7.5
85.06535	1.5
91.05471	21.9
93.07039	31.2
94.07343	1.1
95.04971	3.5
95.08603	28.8
96.08963	1.0
97.06517	2.4
97.10165	3.0
99.08112	0.7
101.12656	0.7
105.07021	23.3
106.07358	1.1
107.04954	0.8
107.08585	19.1
109.06544	0.9
109.10155	13.3
111.08093	1.8
115.05447	0.9
117.07011	10.1
119.08576	21.0
121.10130	14.2
123.08100	0.9
123.11702	5.1
125.09637	1.1
128.06181	1.0
129.07005	6.5
130.07780	1.2
131.08563	19.0
131.09508	1.1
133.10115	17.9
134.10426	0.7
135.11693	10.1
137.09622	1.0
137.13235	1.4
141.06996	2.7
142.07780	1.8
143.08545	10.1
145.10114	19.0
146.10435	1.2
147.11678	13.9
149.09660	0.9
149.13229	5.2
149.47621	0.7
155.08543	4.5
156.09404	1.8
157.10132	9.8
159.11697	14.7
160.12030	0.9
161.13266	11.1
162.13580	0.8
163.11171	1.3
163.14784	3.5
165.12793	0.9
167.08598	1.0
169.10086	5.1
171.11684	9.4
173.13245	11.0
175.11288	0.7
175.13539	0.9
175.14803	5.0
177.16437	1.0
181.10118	1.8
183.11691	5.7
185.13206	7.1
187.14848	4.8
189.13023	0.8
189.16423	1.7
191.18068	0.8
195.11731	2.5
197.13222	4.8
198.13989	0.8
199.14751	5.9
201.16408	3.0
203.14333	0.9
203.17926	1.2
209.13261	2.0
211.14888	2.8
213.16415	2.3
215.17961	3.4
217.19678	1.0
223.14885	1.6
225.16391	1.9
227.18034	1.1
229.19505	1.7
231.21109	2.0
233.18985	0.9
237.16342	1.3
239.17918	1.9
240.18248	0.8
241.19679	5.6
243.21187	1.3
253.19740	1.2
255.17358	0.9
255.21251	0.7
257.19000	3.7
259.20575	12.7
261.22128	3.5
265.19376	0.7
269.22702	0.9
271.20523	0.9
273.18671	0.8
275.19952	1.1
285.22095	1.1
297.22174	0.9
299.23877	1.0
311.23788	1.6
313.21829	0.9
313.25406	0.7
315.23227	1.1
325.25330	1.4
333.24216	9.0
335.25778	14.6
339.26917	1.5
353.28406	1.0
367.29886	1.2
387.24582	0.8
395.29523	0.8
449.33667	0.8
515.37897	0.8
517.39337	0.7
519.41821	5.0
529.39008	1.2
537.42621	3.4
541.39148	1.0
593.45654	8.5
611.46661	100.0
612.47046	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.70016	0.9
55.01866	1.2
55.05510	14.2
57.03430	6.4
57.07069	3.8
65.03925	2.4
67.05498	42.9
69.07060	18.8
69.48866	7.7
71.04978	2.4
77.03900	1.0
79.05484	31.8
81.06570	2.0
81.07050	40.7
83.04984	1.2
83.08614	7.9
85.06525	1.8
89.21596	1.0
91.05466	31.2
93.07037	40.8
95.04974	4.4
95.08601	37.3
97.06515	2.9
97.10162	3.5
98.20756	2.0
99.08082	1.5
102.25957	0.9
105.07026	30.7
105.65720	0.9
107.08581	21.5
109.06484	1.6
109.10155	15.3
111.08093	2.0
117.07019	12.9
119.08571	29.9
121.10141	16.5
123.08073	1.1
123.11678	4.7
125.09611	1.0
128.06203	2.6
129.06999	8.7
130.07724	1.3
131.08563	25.1
133.10117	22.6
135.11703	12.4
137.13252	2.6
141.07021	3.0
142.07790	1.6
143.08560	12.5
145.10112	23.0
147.11676	19.3
147.12781	1.5
149.13251	7.9
155.08548	5.6
156.09332	2.2
157.10130	12.6
159.11678	17.4
161.13239	14.9
163.14850	2.7
167.08601	1.1
169.10083	7.1
171.11671	11.8
173.13252	12.0
175.14821	6.4
177.12663	1.0
181.10141	2.7
183.11694	8.3
185.13217	9.7
187.14746	4.9
189.12788	1.1
189.16339	1.6
191.03871	0.9
195.11684	2.8
197.13176	6.3
199.14838	7.8
201.16373	4.1
209.13249	1.5
211.14851	3.7
213.16403	4.8
215.18010	1.9
223.15063	1.2
225.16364	2.0
227.18044	1.8
229.19383	1.7
231.17513	1.0
231.21025	1.9
237.16417	1.4
239.18048	1.7
241.19513	6.3
243.21196	1.5
257.18958	3.2
259.20575	17.2
261.22171	3.4
265.19403	1.0
297.22247	1.5
315.23248	1.4
325.25165	1.6
331.22632	1.5
333.24161	10.8
335.25754	18.5
366.66879	0.9
367.29956	1.4
409.30865	1.0
489.35754	0.9
519.42010	5.2
529.38477	1.4
537.42932	2.9
593.45801	9.8
611.46643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82249	0.1
57.03421	0.2
67.01855	0.4
68.99790	0.3
69.03424	0.3
69.07075	0.1
69.50950	0.2
69.51356	0.7
70.06567	0.1
71.04990	0.5
73.02902	0.2
79.05499	0.1
81.03384	0.2
81.07052	0.1
83.04974	0.2
85.02900	1.3
86.09698	0.1
87.04461	0.1
88.14363	0.1
91.05473	0.1
93.07036	0.2
95.04962	0.1
95.08582	0.2
97.02877	0.3
99.04438	0.1
100.29319	0.1
105.03381	0.1
105.07053	0.1
107.04985	0.1
107.08553	0.2
107.32116	0.1
107.42361	0.1
109.02863	0.1
111.04415	0.1
111.08058	0.1
116.98593	0.1
119.04960	0.2
121.02847	0.1
123.04423	0.2
127.03919	0.5
129.01749	0.1
129.05452	0.3
133.02824	0.3
137.06003	0.4
139.03911	0.2
147.04398	0.1
151.03906	1.4
151.07457	0.1
153.01822	4.2
153.09058	0.2
163.07578	0.1
167.06981	0.1
171.02913	0.7
173.02394	0.1
175.03847	0.2
177.01857	0.4
177.05551	0.2
179.06970	0.1
195.02875	0.1
200.58888	0.1
201.05338	0.1
203.03328	0.5
207.06529	0.2
229.04941	0.7
235.06085	0.1
257.04434	1.4
261.03876	0.1
279.05286	0.1
285.04010	0.7
287.05518	0.4
299.05518	0.1
302.04202	0.2
303.04974	100.0
304.05276	1.4
315.04797	0.3
315.08423	0.2
317.09235	0.2
329.06595	0.2
341.06006	0.1
345.06097	0.4
369.06137	0.2
398.38190	0.1
429.07813	0.1
431.09756	0.1
447.09195	0.2
449.10880	0.2
465.10251	1.2
482.57321	0.1
503.18228	0.1
594.21112	0.1
611.15759	0.4
611.23285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
55.01858	1.6
57.03418	2.8
61.02911	2.5
68.99770	1.7
70.34164	2.2
70.34560	3.0
81.03392	2.3
85.02907	9.4
97.02919	1.6
103.03923	1.7
105.03402	1.2
107.04947	1.6
109.02865	3.5
119.04914	1.3
121.02842	2.3
127.03917	1.7
135.04385	6.7
137.02333	25.4
137.03387	1.9
139.03938	1.6
147.04362	1.6
159.04442	1.8
161.02338	3.6
173.02304	1.8
177.01907	1.6
177.05443	2.7
179.03430	2.3
181.04947	1.5
187.03949	1.4
189.01817	6.5
191.03398	3.8
195.02835	7.2
201.05396	1.9
203.03377	8.9
205.04980	3.7
207.02840	10.2
215.03392	2.3
217.04979	5.1
219.02907	5.4
221.04520	2.9
225.03859	2.1
227.03333	1.6
229.04964	5.8
233.04491	2.0
235.05948	1.4
239.03264	1.9
243.03026	1.4
245.04332	1.9
255.02815	2.4
257.04443	2.9
273.03888	2.3
283.05942	3.5
284.06744	4.0
285.03909	2.9
287.05515	3.5
295.05984	5.5
296.06589	2.3
297.07489	3.9
299.05524	7.7
300.06131	2.3
303.04929	1.9
309.07416	2.6
310.04697	22.2
310.08176	2.4
311.05466	77.0
312.06204	9.0
313.07013	7.7
321.07520	1.5
323.05478	47.0
324.06241	17.2
325.07050	11.4
329.06348	5.7
333.07401	1.5
335.05551	6.3
335.08960	1.5
336.06183	3.5
337.07022	25.5
338.04074	2.0
338.07730	11.9
339.04929	2.7
339.08640	5.2
341.06528	95.9
342.06918	2.5
345.07394	1.4
349.07123	8.9
350.07690	2.5
351.04984	2.1
351.08591	11.2
352.05466	2.9
352.09497	2.0
353.06534	67.7
355.08148	1.5
361.07040	2.7
362.08017	2.0
363.08646	11.7
365.01974	1.5
365.06500	31.0
365.10730	2.2
366.07153	2.7
367.04294	1.3
367.08148	20.2
371.07642	19.2
373.07120	2.5
375.08539	1.8
377.06281	16.7
377.09692	1.8
379.08136	7.5
381.09805	13.5
383.07532	5.0
389.06470	6.0
391.08228	10.1
395.07574	51.7
401.06299	3.4
403.07834	1.6
405.09613	4.3
407.07611	32.8
409.09058	1.8
413.09384	1.6
417.09720	3.8
419.07483	25.4
425.08630	40.6
425.14343	2.1
429.09747	1.6
431.08008	2.5
433.09091	1.8
437.08636	23.0
443.09805	36.1
445.09262	1.7
449.09009	4.1
455.09692	30.3
461.09512	7.1
473.10788	100.0
474.11072	3.2
479.09509	4.4
485.08923	2.7
491.11847	22.9
497.10812	27.8
503.09778	2.9
509.10822	2.4
515.11877	21.5
521.10901	7.2
527.11853	26.9
539.11719	25.4
545.12933	12.2
557.12933	24.1
575.13989	28.5
576.13263	2.0
593.15131	17.7
611.15820	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03933	0.3
55.01854	0.3
55.05489	0.3
56.34573	0.1
57.03432	1.8
61.02910	0.6
63.70216	0.2
65.98503	0.1
68.99805	0.2
69.03429	0.8
71.01360	0.2
71.04985	10.6
71.35892	0.3
73.02911	0.5
73.15179	0.2
74.41771	0.2
75.04466	0.6
79.05496	0.2
80.82782	0.2
81.03400	0.7
83.01398	0.2
83.04970	0.6
85.02895	13.9
87.04447	0.3
87.40371	0.2
88.97878	0.2
91.03978	0.2
92.92253	0.1
95.04908	0.2
97.02872	0.9
99.04451	0.4
109.02852	0.5
111.00787	0.6
111.04424	0.3
121.02859	0.8
123.04418	0.2
127.03899	0.8
129.05470	3.7
137.02324	2.2
137.05907	0.3
145.04964	0.8
147.06488	1.1
149.02325	0.4
153.01823	2.7
161.05988	0.2
162.78069	0.2
163.03888	0.5
165.01825	1.5
166.02603	0.2
173.05934	0.2
175.06932	0.2
177.05360	0.2
183.02882	0.6
183.04298	0.2
187.03899	0.2
195.02962	0.3
201.05476	1.2
205.05031	0.2
219.06563	0.2
228.14883	0.2
229.04927	3.1
247.06003	0.6
257.04446	2.2
274.04626	0.5
275.05661	0.2
283.06052	0.2
285.03824	1.2
303.04965	100.0
304.05249	1.5
343.14841	0.2
345.05927	0.3
414.16620	0.2
465.10361	0.9
639.06000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
56.96556	1.1
57.03415	0.9
61.02905	0.9
63.96830	0.8
67.05485	1.6
67.05863	0.8
68.99774	5.7
69.03432	1.7
69.86584	5.4
73.02876	1.1
81.03398	3.0
85.02900	3.9
85.98193	0.8
95.04990	0.9
97.02891	2.7
98.54185	0.8
98.97584	3.5
99.04421	1.6
105.03365	0.9
109.02881	4.1
111.00798	6.4
111.04420	1.5
116.98599	2.5
117.03426	0.9
118.44076	0.7
119.04936	1.3
119.17626	0.8
121.02829	1.5
123.04413	12.2
127.03905	100.0
128.04248	1.3
128.98506	1.0
133.02861	2.5
134.99619	1.6
135.04437	1.8
137.05978	2.0
139.03886	77.5
145.02847	2.0
145.04904	1.0
147.04378	7.4
147.06509	0.7
149.02342	1.3
150.03160	1.0
151.03888	25.6
153.01836	1.3
157.06436	1.2
157.07635	1.0
158.99713	1.3
159.04391	1.0
161.05902	1.1
163.03917	6.0
165.05432	1.8
167.03363	3.9
171.04390	1.6
171.41068	0.8
175.03914	12.0
177.00677	2.1
177.05438	7.2
179.03378	36.3
181.04971	2.9
185.06023	1.5
187.03949	1.3
189.05511	2.2
191.03418	8.5
193.05031	4.7
197.06038	0.9
199.03928	2.5
201.05499	4.4
203.03357	17.7
205.04889	1.3
213.05408	4.1
215.03540	1.1
217.04880	4.7
219.01735	1.4
219.06531	1.1
227.03308	0.8
229.05054	4.2
231.06500	2.7
233.04361	3.4
233.06511	0.9
237.02757	4.0
239.95703	0.8
241.04945	1.9
245.04475	9.0
251.05617	2.0
257.04425	10.3
258.05127	0.9
259.06000	2.9
263.05505	14.4
269.04425	2.5
271.06033	2.1
275.05438	14.3
281.04184	0.8
287.05472	40.9
289.07123	1.9
299.05472	16.8
305.06577	11.2
307.08118	9.1
317.06522	13.6
341.06638	1.0
365.07651	0.8
395.07901	1.4
407.07434	1.6
423.13452	0.8
425.08627	19.6
437.08667	1.1
443.09702	10.5
467.09644	1.3
473.10641	1.0
611.21588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09416	0.8
53.00310	1.0
53.03937	1.1
55.01864	1.6
62.10312	0.8
67.01873	0.9
68.99780	6.1
70.96751	1.3
70.97074	1.4
73.56214	0.7
77.03890	0.8
81.03410	1.7
85.02880	2.6
95.04951	2.2
97.02831	1.0
99.04440	1.1
109.02867	3.2
111.00784	6.4
121.02871	1.8
123.04432	9.0
127.03909	91.4
128.04318	1.1
133.02832	2.0
135.04410	3.8
137.05949	1.3
139.03893	100.0
140.04370	1.1
140.07014	2.1
147.04376	5.5
149.02351	2.5
149.05872	0.9
151.03899	29.5
153.01825	1.4
155.03400	2.8
159.04404	1.2
161.05978	1.9
163.03917	9.6
165.05464	2.0
167.03366	5.7
169.04994	2.3
171.04457	2.2
173.06029	1.1
175.03894	10.9
177.05450	5.0
179.03386	36.9
181.04939	4.0
185.05980	1.7
187.03932	1.1
189.05507	3.0
191.03362	12.2
193.04932	4.1
197.06029	1.5
199.03848	2.7
201.05449	3.6
203.03375	17.1
205.04970	3.1
213.05434	5.1
214.99313	0.8
217.05034	4.8
229.04948	5.9
231.06609	4.2
233.04471	6.4
237.02861	1.4
241.04985	2.1
243.06619	1.0
244.11829	1.1
245.04472	12.2
251.05507	2.9
257.04422	16.4
259.05988	2.9
263.05496	16.5
266.81311	0.9
269.04507	3.8
271.06027	2.1
275.05478	20.6
275.85266	0.9
287.05475	43.3
288.05893	1.1
289.07114	2.2
299.05441	15.5
301.07159	1.2
305.06512	10.1
307.08066	9.9
311.05569	1.3
317.06567	20.4
319.07755	1.0
353.06235	1.1
407.07568	1.5
425.08658	24.3
426.09280	1.1
443.09692	18.2
455.09232	1.2
467.09766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01873	2.4
55.05508	12.0
57.03412	3.1
57.07049	2.6
62.18777	2.1
67.05493	23.6
69.03419	9.0
69.07066	11.5
69.63485	12.2
71.04964	2.1
78.07059	1.8
78.73412	1.8
79.05054	3.0
79.05488	33.5
80.29847	2.0
81.03393	11.5
81.07056	31.7
83.04967	3.3
83.08616	4.7
85.02887	6.1
91.05466	38.0
93.07037	93.4
95.04951	11.4
95.08611	24.2
97.02876	7.7
97.06493	3.4
99.56557	2.1
102.94678	2.0
103.87881	2.0
105.07023	26.2
107.04926	3.0
107.08589	100.0
108.08883	2.5
109.02830	2.8
109.06493	4.9
109.10154	12.2
117.06999	6.8
119.08585	11.3
121.10126	12.7
123.08037	2.9
123.11719	4.1
127.03910	4.8
129.07010	5.6
131.08566	12.6
132.37286	2.0
133.06456	2.6
133.10106	8.8
135.11685	48.2
137.99327	2.0
141.99318	2.1
143.08554	3.3
145.06456	2.6
145.10086	10.2
147.11667	7.3
149.09616	3.9
150.91264	2.4
155.08546	3.0
157.10086	5.1
159.11656	12.3
161.13255	4.9
163.11153	4.5
169.10104	2.9
171.11711	2.8
173.13281	5.1
173.86525	2.5
183.11711	2.6
185.13234	2.3
187.14751	2.2
197.13155	2.3
257.18906	3.9
258.19339	2.1
261.22238	3.3
268.85410	2.2
275.20078	3.9
276.20572	2.6
276.51135	2.3
277.21753	2.4
289.48517	2.4
301.21725	2.5
303.23538	3.7
315.23071	2.8
364.02792	2.2
369.24136	3.0
385.39987	2.0
387.25272	4.5
405.26355	5.0
492.22595	2.3
591.79401	2.4
610.45447	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	610.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93509	1.9
53.03940	6.4
55.01874	2.8
55.05508	17.2
57.03431	3.1
57.07072	14.4
58.17793	1.9
61.02931	3.5
65.03934	2.7
67.05502	38.4
69.03416	15.1
69.07064	45.1
70.81021	5.7
70.81375	4.2
71.04983	6.8
71.08640	12.4
71.18696	2.2
79.05495	26.1
81.03442	10.8
81.06570	4.6
81.07054	90.1
83.04979	3.4
83.08622	24.0
85.02902	29.4
85.03376	3.5
85.06541	5.0
85.10191	4.0
87.00827	10.4
91.05419	17.4
93.07050	53.0
95.04986	6.0
95.08604	100.0
97.02888	13.3
97.06533	2.6
97.10155	15.0
99.04446	3.0
105.01891	15.6
105.07028	27.9
107.04961	3.6
107.08583	38.6
109.02872	9.4
109.06543	4.8
109.10152	53.3
109.10885	2.3
111.11707	12.5
119.04916	5.2
119.08578	21.2
121.10131	40.2
123.04450	4.1
123.08110	4.5
123.11700	33.3
125.09636	5.6
125.13287	3.0
127.03922	19.3
131.04955	3.1
131.08627	2.6
133.10127	14.7
135.11694	35.0
137.06003	5.1
137.09637	6.3
137.13235	17.3
139.03934	3.5
139.11194	5.0
145.04970	7.3
145.10089	4.0
147.04410	4.5
147.11687	25.1
149.06021	3.1
149.13246	23.7
151.14838	5.8
153.12766	2.9
155.10605	2.7
159.11681	2.9
161.13231	12.3
163.14856	16.4
165.12758	8.9
165.16383	4.6
167.07004	11.4
175.03954	4.4
175.07591	2.5
175.14848	9.1
177.16380	10.1
179.07013	2.6
179.17963	2.8
181.04979	3.4
183.13808	4.1
189.16368	8.7
191.17958	7.4
202.18445	2.6
203.17973	4.3
207.06516	4.8
217.19534	10.0
231.05180	4.8
249.06123	5.0
273.25754	50.3
273.28519	4.2
283.30515	2.7
291.26816	49.4
299.05859	2.7
303.04898	2.8
309.27921	17.8
327.28931	4.0
355.06897	6.6
465.11520	2.7
610.29523	6.5
611.21948	13.6
611.31299	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	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
51.56866	0.6
52.72233	0.6
53.03931	2.3
55.01861	1.8
55.05507	12.6
57.03431	7.5
57.07068	1.4
65.03931	2.5
67.05500	33.7
69.03416	1.1
69.07069	10.4
69.45914	5.2
71.04987	1.6
71.08617	0.6
77.03931	1.0
79.05487	28.3
81.07053	34.5
83.04972	1.6
83.08612	5.9
85.06543	1.6
91.05476	27.0
92.81297	0.6
93.07038	32.6
95.04965	4.3
95.08602	27.9
97.06507	3.0
97.10161	1.7
99.08084	1.6
103.05437	1.3
105.07026	26.7
107.04939	1.4
107.08586	15.8
109.06511	2.4
109.10150	12.3
111.08079	1.0
115.05443	2.1
116.06219	0.7
117.07008	21.6
117.07845	1.0
119.08575	21.6
121.10140	13.3
123.08076	0.7
123.11701	2.7
125.09560	1.3
128.06206	3.5
129.06998	8.8
130.07776	1.9
131.08562	22.4
133.10126	14.6
135.07979	0.8
135.11682	7.4
137.09601	0.8
137.13211	1.0
141.06956	3.8
142.07771	1.8
143.08546	10.4
144.09348	1.0
145.10112	35.9
147.11685	13.4
149.09601	2.6
149.13261	2.7
153.06963	0.6
154.07755	1.1
154.77292	0.6
155.08495	4.9
156.09367	0.9
157.10127	15.2
158.10866	0.9
159.11684	28.2
161.09622	2.7
161.13249	6.1
163.11174	2.1
163.14822	1.6
165.07080	0.6
167.08583	1.7
168.09317	1.3
169.10121	9.1
171.11668	9.1
173.13263	9.8
175.11165	1.7
175.14833	2.4
177.12726	0.8
181.10185	2.4
182.10953	0.8
183.11674	7.6
184.12372	0.7
185.13275	10.9
187.14742	2.9
189.16447	0.8
193.10158	0.7
195.11722	3.6
196.12534	0.9
197.13242	7.2
199.14748	3.3
201.12680	0.7
201.16370	2.2
203.14314	2.2
204.18666	0.7
207.11739	1.0
209.13223	3.4
210.14070	0.7
211.14847	3.8
213.16411	2.2
215.17960	1.7
219.17456	3.6
221.13235	0.7
223.14919	1.6
225.16371	1.7
227.17981	1.8
229.19518	4.4
237.16411	2.1
239.17917	11.7
241.19577	1.6
249.16411	0.7
253.19437	0.9
255.17317	1.2
257.18991	26.5
259.16901	0.7
259.20572	2.8
261.22156	2.8
275.20074	10.9
283.20541	0.9
293.21085	1.1
295.20404	0.8
313.21722	1.4
331.22610	10.5
333.05872	0.6
333.24399	0.9
335.25818	16.5
337.28046	0.9
349.24771	0.7
351.26044	0.7
365.28210	0.7
367.30319	0.8
379.30234	0.7
499.33597	0.8
517.40204	3.3
535.41718	2.9
539.37537	0.9
553.42413	0.8
591.25415	1.1
591.44086	6.3
609.45111	100.0
610.26776	0.7
610.45416	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	609.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21990	2.0
53.03943	2.6
55.01858	5.0
55.05508	18.5
57.03420	9.0
67.05496	19.0
69.03413	5.9
69.07066	10.4
71.24382	5.3
71.24746	4.2
79.05491	24.0
81.02913	2.9
81.03409	56.3
81.07046	24.5
83.04977	9.5
83.08611	16.2
85.02892	9.5
85.06547	3.9
91.05467	18.7
93.07045	16.7
95.04957	19.7
95.08616	12.5
97.02885	5.2
97.10162	8.2
105.07035	15.1
107.04949	6.0
107.08569	10.1
109.06522	4.4
109.10152	6.1
111.04439	4.5
111.08079	3.7
117.07002	5.9
119.08560	13.8
121.06485	5.2
121.10141	7.9
123.04476	2.8
123.08151	3.3
123.11701	3.9
125.09617	4.4
127.03957	2.6
129.07007	8.8
131.08563	9.4
133.10110	5.9
134.95486	1.9
135.11655	2.7
140.10683	2.8
141.07089	2.6
145.06531	4.0
145.10129	2.8
147.08070	2.3
147.11679	5.8
148.09631	2.2
149.09622	4.4
151.03918	2.1
151.07478	3.6
152.06209	4.4
153.06989	5.5
153.09116	2.3
155.08575	5.2
157.06479	5.2
157.10101	5.5
161.05998	3.6
163.07547	2.2
163.11174	3.7
165.06993	7.9
166.07785	4.3
167.07208	2.9
167.08543	19.6
169.06505	3.9
171.08087	3.7
173.05957	14.7
175.11163	7.7
178.07858	3.9
179.08534	5.3
181.06416	11.5
181.12506	2.6
182.07242	6.0
183.06650	2.3
183.07979	10.6
185.06026	4.0
185.09628	3.9
187.07584	5.7
191.08638	3.6
191.10474	2.8
193.10350	3.5
193.12227	18.0
194.07307	6.3
195.08052	100.0
197.06027	4.1
197.09599	18.9
198.06682	5.0
199.07553	7.3
201.09238	2.9
205.10208	4.7
207.08067	7.0
208.08862	2.5
209.09627	6.0
211.07486	5.4
211.13286	17.7
213.09052	23.0
219.08014	3.8
219.11642	3.3
221.09647	13.1
223.07652	3.5
223.11139	6.6
233.09586	5.4
235.11234	9.3
237.09068	5.2
245.09782	3.0
247.11195	3.1
251.10593	3.3
251.14450	3.1
256.14774	3.2
267.15897	22.4
270.64404	2.0
279.17361	10.0
283.05948	2.2
283.15372	2.3
284.14023	2.8
285.17017	6.4
287.05475	3.1
289.15900	5.7
307.16898	50.1
309.18768	3.2
325.17957	21.5
333.18658	3.9
340.16953	3.3
343.19147	2.5
345.18488	4.7
347.20047	4.4
349.17786	3.5
363.19467	13.2
365.21216	3.0
381.20633	15.4
399.21613	15.9
411.32986	3.2
462.34210	2.4
481.27197	9.7
499.28476	14.1
517.29181	9.8
550.28857	4.1
573.32141	8.6
591.32959	22.5
592.33289	2.5
609.34821	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	609.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01860	3.9
55.05512	15.1
57.03439	6.0
59.87343	1.0
60.08207	0.9
61.65306	1.0
65.03959	1.2
67.05508	16.2
69.03431	2.7
69.07064	6.0
71.04982	1.8
74.96528	1.1
79.05489	16.1
81.03416	28.8
81.07057	20.7
83.04973	5.2
83.08614	9.8
84.33468	1.1
85.02900	4.1
85.06555	1.9
91.05480	13.4
93.07032	9.2
95.04967	12.3
95.08609	7.3
97.02866	1.6
97.06544	1.7
97.10171	4.2
98.20763	4.4
99.08109	1.5
105.07035	11.8
107.04954	3.4
107.08613	5.7
107.48019	1.2
109.06509	3.3
109.10148	2.9
111.04420	1.7
111.08076	4.0
111.98553	1.2
115.05461	1.3
117.07033	2.2
119.08588	8.8
121.06467	2.0
121.10117	6.2
121.52456	1.1
123.04382	1.5
123.08064	4.1
123.11725	3.3
125.09624	3.3
128.06221	1.5
129.07011	5.2
131.08554	5.2
133.06465	2.4
133.10117	1.8
135.11560	1.1
141.07045	2.7
143.08548	2.0
145.06499	1.5
145.10146	1.5
147.08076	2.1
147.11691	10.6
149.09665	2.1
152.06210	5.8
153.06989	2.9
155.08559	4.6
157.06520	4.6
157.10124	6.6
161.05968	1.7
163.07658	1.5
163.11234	1.2
165.06944	7.1
165.12775	4.6
166.07765	1.3
167.08571	16.4
169.06454	1.9
171.08110	1.9
172.05214	2.7
173.06003	7.7
175.11191	4.9
178.07718	2.5
179.08557	4.2
181.06494	9.3
181.10095	2.6
182.07266	4.0
183.08098	8.3
185.06068	1.4
185.09546	1.7
186.06689	1.7
187.07550	3.4
189.11342	1.2
191.08508	2.2
191.10493	1.2
193.06396	1.5
193.10197	3.3
193.12262	15.7
193.26126	1.0
194.07233	7.2
195.08057	100.0
197.06013	1.4
197.09608	14.4
198.06734	2.7
199.07616	7.3
201.09158	2.8
203.08530	2.3
205.10162	2.5
207.08110	5.9
208.08807	1.3
209.09616	7.8
210.06781	1.3
211.07574	3.1
211.13264	12.3
213.09097	18.3
219.08031	3.3
219.11751	1.4
220.08800	2.3
221.09630	11.5
223.07541	2.3
223.11163	4.4
225.09178	1.5
227.12778	2.1
229.85872	1.3
233.09662	5.9
235.11259	6.1
237.09181	1.6
237.12668	1.6
239.10686	1.4
247.11162	4.1
248.11981	1.6
251.10643	2.2
251.14320	1.8
256.14603	2.6
267.15903	23.5
279.17529	10.1
284.14063	3.8
285.16885	9.6
289.15826	6.7
307.16913	57.8
309.18576	2.0
321.18436	1.3
323.16531	1.8
325.17963	23.6
333.18469	4.3
337.18201	1.1
340.16751	2.4
345.18546	6.3
347.20331	2.0
351.19333	1.5
358.17822	1.3
363.19525	21.3
365.20758	1.3
381.20624	19.1
399.21722	10.6
435.27417	1.2
453.27451	1.9
481.27328	6.0
499.28375	13.2
517.29443	7.6
535.30469	1.8
537.30304	1.5
550.29138	2.0
555.31689	1.4
568.30298	1.6
573.32184	8.5
591.16449	3.2
591.24573	1.6
591.33154	23.8
609.24780	1.7
609.34119	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	609.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
56.72335	1.4
60.10157	1.3
66.25013	1.5
67.05490	2.3
69.03431	2.0
69.07064	14.3
69.43156	14.6
79.05482	3.9
81.03412	2.6
81.07064	9.6
82.11693	1.6
83.57728	1.6
85.02853	1.7
85.10180	1.5
91.05442	2.4
93.07034	2.2
95.08607	2.7
97.02821	1.7
98.21520	2.8
105.07007	2.6
107.04932	2.7
117.07005	1.7
119.08575	3.5
123.04402	4.8
129.06958	1.6
136.06148	5.2
137.02310	4.0
142.22812	1.6
147.11618	2.7
151.03871	3.4
157.06468	1.7
161.05919	1.8
181.04913	2.8
187.07455	2.4
197.05925	2.5
209.05901	2.7
211.07619	2.0
220.00679	1.6
223.07428	1.7
225.05389	4.0
227.06956	2.1
237.05449	6.1
241.04869	2.1
242.05731	4.1
253.04985	2.1
255.06554	3.9
265.05045	1.6
267.06339	1.8
267.15735	2.7
270.05273	2.4
275.06854	1.5
283.05997	1.7
285.07565	23.3
285.24112	2.0
303.06516	4.1
317.07898	2.7
323.12708	3.5
324.13620	2.6
325.17798	3.0
328.07074	3.4
329.08191	1.8
332.06747	1.8
343.09534	1.7
345.07462	4.0
357.07315	2.2
359.08984	1.9
361.10684	4.2
363.19275	1.9
373.06964	1.8
374.07855	2.5
384.06348	3.5
385.06882	2.7
389.10211	2.5
401.06424	5.1
402.07227	6.6
402.46930	1.6
403.08054	2.2
417.04376	3.2
417.09647	44.8
429.17117	2.7
453.08792	2.2
465.09656	3.3
485.15894	3.3
494.09787	2.1
497.12350	4.7
500.18100	4.8
510.09576	2.6
513.15198	2.8
525.11865	10.8
540.14130	100.0
541.15033	16.7
553.15002	18.8
570.80890	1.8
581.21472	11.4
609.21063	33.8
609.35022	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	609.1805
Annotation	Scutellarein 6-metnyl ether 7-neohesperidoside
Peak:m/z	Relative Intensity
53.03938	1.4
57.03429	7.9
59.05006	1.0
67.05508	0.9
69.03406	1.8
71.01358	0.9
71.04988	44.5
71.61010	1.1
71.61455	1.0
73.02905	1.0
75.04466	2.0
81.03395	1.7
81.07037	1.1
83.04972	1.4
85.02899	46.5
93.07001	1.1
97.02885	2.5
103.08740	0.8
105.07049	1.3
109.02849	1.8
111.04433	0.9
121.02808	0.9
121.06493	0.8
127.03899	1.8
129.05470	8.0
131.34468	0.8
135.04396	1.3
137.08325	0.8
139.03911	2.0
145.04895	1.2
147.04430	1.1
147.06490	1.6
149.05943	1.0
151.03917	3.4
153.01802	2.5
165.01796	4.0
167.03389	1.7
175.03938	1.6
177.05492	0.9
181.05000	1.0
183.02904	3.0
195.02821	2.3
219.10225	1.0
227.11662	0.8
230.05724	1.4
257.04407	0.8
258.05176	2.5
270.05090	1.0
271.05969	0.9
282.05203	3.2
286.04639	4.6
287.05569	0.9
287.13889	0.8
296.06696	5.7
297.07520	2.9
298.04703	11.2
300.06329	6.2
301.07037	100.0
303.05057	1.3
305.14908	1.0
309.07495	1.0
310.04581	4.3
310.08209	1.9
311.05795	0.9
311.09048	3.7
312.06290	1.7
313.07028	74.6
314.07648	5.4
315.08276	0.9
320.06918	1.0
324.06143	8.6
325.07040	6.5
325.10510	1.6
327.08557	1.8
328.02191	1.3
328.05737	14.9
335.08987	0.9
336.06021	1.0
337.07019	1.6
338.07779	6.5
339.04950	1.6
339.08597	12.5
343.08102	82.2
344.08582	0.8
348.06445	1.6
351.08682	2.1
353.05997	1.3
353.10147	11.6
363.08701	2.5
364.05734	1.9
366.07077	1.3
367.08099	38.4
376.05872	1.8
379.07996	9.8
381.09439	2.2
391.08234	7.5
394.06650	1.7
397.09198	25.9
409.09131	17.2
427.10239	20.6
445.11270	48.6
456.31165	0.9
463.12329	85.0
577.19000	1.4
609.18854	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	609.1805
Annotation	Diosmin 
Peak:m/z	Relative Intensity
51.05523	0.1
52.25819	0.1
55.01855	0.1
55.05482	0.1
55.55526	0.1
57.03417	0.2
57.20396	0.1
62.15784	0.1
63.60089	0.1
69.03413	0.2
69.83691	0.5
69.84101	0.1
71.04986	0.7
73.02910	0.2
81.07063	0.1
83.04939	0.2
85.02895	1.1
93.22437	0.1
97.02864	0.3
98.20758	0.1
127.03908	0.2
129.05455	0.3
133.04955	0.1
145.04984	0.1
147.06580	0.1
151.03871	0.1
153.01797	0.3
161.31302	0.1
229.04970	0.2
257.04568	0.2
258.05215	9.3
259.05576	0.1
283.05917	0.1
286.04694	26.3
287.05072	0.3
301.07028	100.0
302.07346	1.2
352.85147	0.1
443.21826	0.1
463.12201	0.6
609.17975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.05501	16.4
56.96558	7.8
57.03415	5.6
57.07058	7.2
59.04993	20.4
59.52388	4.0
60.04514	8.9
67.05182	4.7
67.05494	24.8
68.30208	4.1
69.03413	17.2
69.07069	48.5
71.04990	6.5
71.60773	7.2
71.61169	6.9
79.05480	17.2
81.03407	14.8
81.07051	100.0
83.04975	4.5
83.08607	12.9
85.02903	27.7
85.06534	5.8
87.00832	12.5
91.05461	13.1
93.07039	43.0
95.04983	9.7
95.08601	92.9
97.02872	13.9
97.06515	8.9
97.10141	5.2
98.97598	5.7
99.08071	4.8
105.01857	12.9
105.07014	20.5
107.08585	32.2
109.02837	12.4
109.10146	50.5
111.08080	5.4
111.11726	11.4
117.07046	4.5
119.08545	11.4
121.10126	37.1
123.04425	5.1
123.08035	8.2
123.11745	22.4
127.03904	24.1
131.08513	6.4
133.10110	14.0
135.11668	43.7
137.06015	5.7
137.13271	42.6
139.11183	7.5
140.10701	12.9
145.04953	9.7
145.10132	6.6
146.99689	5.0
147.11661	9.8
149.13240	35.7
159.03000	3.5
159.11707	7.6
161.13275	9.4
163.14787	4.5
173.13246	5.6
175.14851	9.5
177.16423	5.3
187.14755	5.3
205.19620	4.8
231.21049	23.7
237.02846	4.8
249.22261	5.8
267.22797	4.7
271.15924	6.5
271.24200	14.2
277.25180	8.0
289.25223	52.7
295.26074	5.8
307.26285	67.4
325.27325	14.5
365.23557	6.2
367.21713	5.3
415.28827	5.7
428.33435	5.3
519.29193	5.7
545.30121	35.5
554.43878	6.3
591.45837	5.1
608.28534	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	608.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17804	1.2
53.03935	2.8
55.01860	1.7
55.05259	1.8
55.05508	21.6
56.96563	2.5
57.03444	2.8
57.07080	9.0
59.04775	1.3
59.05007	13.2
67.05502	28.6
69.03426	6.1
69.07066	53.5
70.43659	5.8
71.04990	5.1
71.08617	2.8
79.05493	17.4
79.07103	1.3
79.38420	1.4
81.03425	4.2
81.07055	97.4
83.04969	3.3
83.08617	18.4
85.02914	7.6
85.06541	5.1
87.00828	2.7
87.04453	1.7
91.05466	16.7
93.07041	88.7
95.04954	14.9
95.08600	100.0
97.02891	4.2
97.06527	11.3
97.10157	10.7
99.04431	2.0
99.08092	2.6
101.09748	1.4
103.05434	2.5
105.01833	1.5
105.07035	18.1
107.08588	43.0
107.09286	2.6
108.08862	1.5
109.02876	2.5
109.06505	4.3
109.10151	51.4
109.91570	1.3
111.08081	10.1
111.11682	7.3
119.08565	17.0
121.06475	2.0
121.10133	45.5
123.08074	2.7
123.11705	31.2
125.09655	3.9
127.03913	4.6
131.04938	1.7
131.08575	5.8
133.06593	1.4
133.10135	11.8
135.11679	39.1
137.06071	1.9
137.09673	2.3
137.13252	34.0
139.11168	8.8
143.08588	1.5
145.04980	1.6
145.10115	8.3
147.11679	12.5
148.12067	1.9
149.09680	1.6
149.13257	40.6
151.11206	2.7
151.14746	2.6
153.12743	4.1
159.11638	8.5
161.13225	9.8
163.11189	1.6
163.14742	7.9
165.12770	1.8
167.10681	1.5
167.14301	2.6
173.13245	6.1
175.14815	7.6
177.12753	2.0
177.16426	4.7
179.14282	1.6
179.18044	1.7
179.80605	1.5
185.15329	1.7
187.14825	4.6
189.16399	4.8
191.17958	4.8
195.17508	1.8
201.16422	4.2
203.18002	2.3
205.19543	5.5
215.17972	4.2
219.21130	3.8
229.19415	2.5
231.21054	18.2
245.22655	3.0
249.22173	4.4
267.23105	1.8
271.24213	23.0
277.25214	6.9
289.25259	50.7
290.19122	1.4
295.26297	7.6
307.26294	65.6
308.26636	1.8
325.27362	27.4
365.23584	2.0
519.29700	2.8
545.30316	7.1
608.27765	1.8
609.28680	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	608.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10227	0.6
53.03946	1.1
54.31638	0.6
55.01865	3.1
57.03432	23.8
59.04980	1.2
61.02917	14.4
63.97145	0.7
69.03423	41.7
69.07061	1.2
69.52863	2.6
69.53284	4.5
69.91430	0.8
70.62241	0.8
71.01347	3.2
71.04979	3.4
73.02912	41.4
76.94471	0.7
79.05473	1.0
81.03409	7.0
81.07051	1.9
83.01305	0.9
83.05009	1.2
85.02898	100.0
87.04462	4.4
91.03951	6.4
91.05495	1.5
93.07047	1.1
95.04964	1.0
97.02885	65.8
99.04465	5.0
103.03943	1.7
105.07030	0.9
107.04958	1.5
107.08588	0.9
109.02862	9.1
109.10172	0.9
115.03920	37.1
119.08587	1.3
126.05398	0.8
126.96153	0.7
127.03907	31.9
133.04950	12.5
133.10152	1.1
136.07639	0.8
137.05968	1.6
139.03946	0.8
142.51776	0.7
145.04953	45.9
147.08141	1.0
148.12154	0.7
151.03824	1.0
159.08064	1.1
159.11656	0.9
163.06010	22.6
163.07384	1.6
167.07040	0.9
171.08044	2.1
175.07535	1.1
185.31667	0.7
193.04971	0.9
201.09094	2.4
217.07034	1.1
223.05951	5.0
241.07050	7.1
243.10077	0.9
258.05280	9.2
259.08112	8.1
261.11316	1.9
271.05634	0.9
286.04715	22.5
289.09094	1.2
295.10239	13.2
301.07053	75.7
315.08484	1.4
325.11258	7.2
461.23175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01862	2.4
57.03434	18.6
60.08443	0.6
61.02636	1.1
61.02924	13.8
66.19447	0.5
69.01427	0.6
69.03423	36.0
69.03802	1.7
69.07047	0.8
69.48512	1.2
69.48912	4.5
71.01348	2.7
71.04990	3.2
73.02911	45.4
81.03416	7.7
81.07079	1.0
85.02898	100.0
87.04449	3.9
91.03936	7.6
91.05482	0.9
92.71645	0.6
93.07015	1.1
95.04961	0.8
97.02885	68.8
99.04441	5.4
101.02371	0.9
103.03935	1.5
107.04910	1.4
109.02872	8.7
111.04434	0.8
113.10406	0.7
115.03920	43.4
121.10140	0.7
127.03904	31.9
133.04955	15.2
137.05991	1.6
143.75391	0.6
145.04948	50.8
149.05966	0.8
157.04971	0.6
163.06012	27.0
169.04893	0.6
171.08051	2.0
175.06056	0.7
181.07161	1.0
191.56519	0.6
193.04964	1.2
199.06055	1.0
201.09074	3.1
204.08647	0.7
211.06056	0.8
223.05974	5.7
241.07050	9.9
243.10185	1.7
258.05286	8.1
259.08115	10.3
261.11194	1.0
271.05835	0.7
278.33762	0.7
286.04688	21.2
295.10214	16.2
301.07043	51.0
325.11270	8.6
343.95871	0.7
461.22632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70840	0.6
53.03926	1.9
55.01863	2.4
57.03430	32.3
59.04985	1.9
60.04501	1.7
61.02634	1.2
61.02920	14.8
67.05485	1.2
69.03422	43.0
69.07087	0.8
71.01349	4.5
71.04977	2.6
71.63149	1.2
72.04514	1.0
73.02911	69.3
81.03411	9.0
81.07059	1.8
85.02896	100.0
85.06534	1.3
87.04462	4.2
91.03962	5.2
91.05496	1.0
95.04958	0.8
95.08588	2.0
96.04515	0.8
97.02882	85.0
99.04440	4.8
103.03943	1.7
105.07035	1.1
107.04931	0.9
107.08582	1.1
109.02869	9.0
111.04464	1.3
114.05474	1.6
115.03918	62.8
117.05438	0.8
121.10121	1.1
127.03904	30.5
132.06567	4.8
133.04956	18.2
135.04439	1.0
137.05989	1.0
145.04945	44.2
149.05930	0.9
150.07622	1.0
153.05470	1.8
163.06007	20.4
171.08138	1.4
177.16447	1.0
180.08670	1.3
181.05002	0.9
187.05952	1.0
193.04887	1.9
195.06551	1.3
201.09102	2.0
223.06001	7.9
241.07089	11.5
259.08115	10.8
261.11166	1.1
283.06079	1.5
289.09128	1.1
294.11938	2.5
295.10199	15.4
295.13245	1.1
310.32654	0.8
312.12888	1.6
323.09268	1.2
325.11288	3.4
337.06805	0.9
372.93176	0.8
378.50482	0.8
413.72461	1.0
570.63684	0.9
609.17303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01875	6.8
55.05516	14.1
55.58236	3.5
57.03427	4.3
66.42404	3.6
67.05501	42.5
69.03432	15.8
69.07068	17.2
70.06611	3.8
71.04996	7.3
71.58271	3.6
71.58647	6.4
79.05491	31.1
81.03412	47.8
81.07053	63.7
81.07507	4.3
81.95255	4.2
83.04996	12.5
83.08620	10.4
85.02908	4.0
91.05479	31.1
93.07041	41.2
95.04988	10.1
95.08627	17.0
97.02908	5.7
97.06541	9.3
105.07057	16.5
107.04939	5.2
107.08575	21.9
109.02888	14.0
111.04487	4.8
117.07043	13.0
119.08596	14.3
121.10136	11.1
127.03898	5.9
129.07007	4.6
131.08583	8.9
133.10187	10.7
137.05984	4.8
141.06877	3.6
145.10107	5.3
147.11726	6.7
149.02353	4.2
149.13293	16.4
165.12712	4.2
177.12737	8.5
195.13840	14.2
246.18871	3.9
267.06635	3.7
269.08017	5.4
269.17502	9.3
285.90454	4.3
339.18118	8.6
376.36938	4.2
377.19754	4.7
395.20590	16.6
445.66794	4.4
463.30530	10.5
551.13324	7.4
589.31995	4.6
607.20538	7.1
607.34735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86626	0.5
70.87016	0.5
70.93234	0.2
76.16908	0.2
79.35429	0.3
87.61492	0.3
98.37833	0.3
108.91911	0.3
110.93894	0.3
113.12720	0.2
114.89445	0.2
115.10497	0.2
117.79790	0.2
347.93698	0.3
358.08670	0.3
387.16333	0.3
388.16895	0.4
389.17667	0.7
402.18347	0.5
403.19327	2.1
404.19867	0.4
405.20822	1.0
416.20206	0.5
417.16296	0.7
417.21518	2.3
418.21576	1.2
419.22522	1.7
430.17532	0.7
431.18109	4.5
432.19406	1.0
433.24103	5.1
434.24637	0.7
444.23352	0.3
445.19818	6.3
446.20648	2.9
447.21649	1.8
458.21381	0.3
459.21460	2.5
460.22491	6.6
461.23331	8.0
473.23624	2.1
474.24210	0.5
477.22659	0.5
487.25018	1.0
489.23190	0.5
505.21585	1.3
515.24475	0.5
519.27301	1.0
532.24652	0.7
534.91779	0.3
547.27020	31.8
548.27576	0.7
575.26642	0.9
579.30023	0.6
607.29095	100.0
608.29156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2905
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.49961	0.4
62.59673	0.3
67.43450	0.4
70.67533	1.0
80.65800	0.3
84.22458	0.3
85.36484	0.5
89.83768	0.4
90.69125	0.4
91.64033	0.4
98.20786	0.4
125.73722	0.4
128.84880	0.4
131.94778	0.4
281.28824	0.4
314.81723	0.4
372.86258	0.5
389.17603	0.8
403.19376	2.1
404.20184	0.5
405.20560	0.7
417.20868	1.7
418.21753	0.9
419.22269	1.7
431.18298	4.8
432.19354	0.8
433.24033	4.6
434.24872	1.1
445.19553	4.8
446.20761	2.8
447.21426	2.7
459.21594	3.5
460.22491	8.6
461.23312	8.5
473.23404	1.5
474.24118	0.9
477.22861	0.5
487.24954	1.7
492.25446	0.6
505.21848	2.3
515.24573	0.5
517.25934	0.5
518.22736	0.5
519.24042	1.5
547.26984	26.3
548.27582	0.6
575.26196	0.8
578.25507	0.8
579.29065	0.7
607.29083	100.0
608.29193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.9
69.03429	2.1
69.89422	0.4
71.23174	1.1
73.02913	0.7
81.03413	0.5
85.02898	4.8
87.04490	0.6
96.08107	1.3
97.02876	1.7
98.97560	0.9
99.04443	0.7
107.04930	1.2
109.02825	0.6
116.98611	0.7
124.07581	7.1
127.03917	1.0
134.99669	0.4
135.07941	0.5
136.06166	3.6
137.06531	0.8
142.08621	100.0
143.09009	0.6
146.99654	0.6
167.07057	0.5
177.00729	0.6
177.05476	0.7
180.79100	0.4
188.44810	0.4
219.01770	0.9
237.02779	1.2
268.10361	0.6
269.10660	0.5
279.03937	0.7
293.11499	0.4
304.13882	26.9
327.12686	0.5
452.63760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.59911	2.0
125.24886	0.3
133.11543	0.2
134.17624	0.2
134.61627	0.2
146.59155	0.2
151.02005	0.2
197.10757	0.3
211.12468	0.3
220.10123	0.3
225.10158	0.3
235.12347	0.4
251.11873	0.2
296.42493	0.3
326.12900	0.3
365.39291	0.3
374.15353	0.6
375.16104	0.6
376.17117	0.3
387.16068	0.7
388.17325	0.6
389.17691	2.5
390.18433	1.0
391.19101	0.8
401.17599	0.7
402.14026	0.5
402.18445	0.9
403.15527	0.6
403.19498	4.1
404.20175	1.5
405.20709	3.2
416.16345	1.0
416.20868	0.5
417.16229	3.8
417.21176	1.8
418.16840	1.3
418.21866	0.8
419.17749	0.5
419.22467	5.9
420.22913	0.9
430.17508	0.6
431.18402	7.8
432.19141	3.6
433.20093	3.3
434.20639	0.3
445.20102	4.9
446.20972	8.1
447.21716	8.8
448.22668	0.5
459.21814	2.0
460.18198	0.6
460.23349	0.5
461.19519	1.9
462.24503	0.6
463.20657	0.4
463.25769	0.3
473.19113	0.7
473.24673	0.5
474.20407	5.5
475.21152	4.8
477.22876	1.0
478.23737	0.9
487.21164	2.0
488.22025	0.5
490.23782	0.5
491.19928	2.5
501.22833	1.2
503.24277	0.4
504.21262	0.6
505.22458	0.5
506.22940	0.7
519.24127	19.3
520.24402	0.9
544.20795	0.3
547.23370	15.1
551.26385	0.5
561.25085	0.5
579.26001	7.1
589.24060	0.5
607.25476	100.0
608.25769	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2358
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
55.05524	0.3
56.96566	0.3
67.05507	0.3
69.87213	1.3
81.03464	0.3
83.04980	0.4
84.08128	0.4
84.53174	0.2
85.02913	0.5
101.90173	0.2
107.08585	0.3
111.04235	0.6
137.05040	0.3
137.05954	1.6
139.20332	0.2
143.20242	0.3
147.11795	0.3
151.07590	0.5
158.99789	0.2
161.06050	0.4
179.07045	0.7
184.80022	0.2
185.04240	0.3
189.05215	20.3
190.05962	2.8
203.06889	0.3
207.06369	0.4
338.27802	0.2
379.93375	0.3
386.12964	0.3
416.85895	0.3
429.15195	2.6
430.15897	0.7
444.17456	2.6
445.18320	13.6
446.18683	0.8
462.60239	0.3
607.23560	100.0
608.23883	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.96558	0.3
57.03423	1.1
57.07067	3.0
61.02916	0.4
65.03935	0.5
67.05502	0.3
69.03423	1.3
69.07043	0.7
70.04091	0.4
71.04977	0.4
71.58123	0.3
71.58518	0.5
72.92436	0.3
73.02914	2.4
73.06544	0.5
79.05495	0.4
81.03422	0.3
81.07039	0.8
85.02903	2.3
85.06542	0.3
87.39162	0.3
91.05480	0.6
93.07048	0.5
95.04971	0.6
95.08587	0.6
97.02863	1.6
100.11240	0.7
105.07009	0.5
105.12601	0.3
109.02864	0.6
109.10165	0.3
111.04462	0.4
115.03903	0.9
117.06944	0.3
121.02885	2.2
121.03658	0.4
121.10194	0.3
123.11670	0.3
127.03894	0.8
133.10130	0.3
138.67993	0.3
145.04922	0.4
149.02333	100.0
150.02725	0.5
158.97653	0.6
167.03406	1.9
171.11655	0.3
173.13229	0.3
174.40556	0.3
186.97040	0.3
190.05034	1.2
203.07031	0.5
205.08586	23.8
221.08176	1.3
256.00360	1.8
277.14334	16.6
295.15408	3.0
358.07413	1.3
546.30151	0.5
606.45776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01876	2.6
57.03429	1.1
61.02917	1.9
67.05499	3.2
69.03433	6.7
69.07050	1.1
70.60445	0.9
71.60774	1.1
71.61157	1.1
79.05507	3.4
81.03419	3.9
81.07066	4.7
83.04951	1.3
85.02908	12.6
91.05480	2.5
93.07053	4.1
95.04956	2.3
95.08600	2.2
97.02901	5.5
99.04475	2.0
101.45035	1.0
105.07087	1.5
107.04971	2.7
107.08618	2.1
109.02875	6.2
119.08614	1.5
121.02882	2.1
121.06512	0.9
121.10133	1.4
123.04413	6.6
123.11698	6.6
127.03905	4.7
133.02838	6.6
133.10129	1.3
134.56012	0.9
135.04427	3.0
135.11694	3.3
137.06013	2.0
139.03902	49.2
145.04959	3.0
147.04422	2.1
149.05963	1.9
151.03905	35.4
151.05119	2.0
153.05486	3.5
157.06540	1.6
159.34843	1.0
163.03894	16.0
165.05518	2.4
167.07021	1.5
169.04980	11.8
173.06018	1.6
175.03926	4.4
177.05510	2.9
179.03313	2.1
181.04985	5.0
181.06404	1.3
181.08444	1.0
185.06053	1.9
189.05533	3.7
191.06985	5.2
193.05005	6.3
195.06577	1.9
197.05991	1.1
201.05534	1.1
202.67674	0.9
203.07062	2.0
205.04991	5.9
210.82191	0.9
213.05415	2.8
227.07083	1.9
230.20612	0.9
231.06541	3.6
233.08148	2.6
241.04912	1.5
247.06065	1.1
255.06461	1.9
257.07944	1.0
259.03583	1.0
259.06104	4.0
261.50485	0.9
273.07721	1.1
273.14859	7.1
283.06064	2.2
285.07587	2.3
299.09180	1.2
301.07050	22.0
319.08118	100.0
331.10321	1.6
368.91830	1.0
407.11090	3.6
423.17184	1.6
441.18732	1.1
481.13379	11.0
585.17438	2.1
585.31165	1.7
603.25256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	5.8
58.06593	1.1
66.58533	0.5
67.05492	0.8
69.03442	1.1
70.06586	17.2
71.08626	2.4
71.61143	0.8
85.02914	1.0
88.07626	19.1
91.05525	0.6
93.07019	0.6
95.04959	1.2
95.08582	0.6
97.02883	0.6
102.09176	12.8
107.08620	0.8
107.81757	0.5
121.02872	0.9
123.04434	2.3
129.43407	0.6
131.04944	0.7
135.04388	0.9
137.06001	0.8
139.03928	2.5
147.04425	2.6
147.11688	0.6
148.04742	0.8
149.02339	31.2
151.03955	2.4
153.05470	1.0
156.17467	1.4
163.03923	2.0
167.07132	1.0
175.03871	1.0
177.05510	1.2
181.05028	1.2
183.08089	0.6
191.03401	6.4
191.07043	0.8
192.03792	2.3
193.04958	41.7
200.20090	42.2
219.06485	0.9
225.05542	1.4
237.07574	11.7
242.09076	0.7
244.22699	1.4
267.06500	1.2
268.06985	0.7
269.04507	1.3
273.07657	1.2
287.09079	0.9
288.09470	1.1
297.03976	2.1
299.09180	2.0
300.09515	2.4
301.07104	1.4
313.07205	2.1
316.08844	0.8
319.08215	2.5
341.06604	9.6
359.07617	5.5
385.09131	17.5
403.10938	0.7
429.11792	26.2
448.10825	0.8
468.13544	0.7
477.11276	1.0
478.11697	3.0
602.17920	5.5
602.29559	100.0
603.30139	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01844	0.4
57.03411	0.2
61.95562	0.3
69.03416	0.7
71.36396	0.4
78.04709	1.3
79.05124	0.2
79.05495	2.7
81.07043	0.4
83.04965	0.3
85.02909	2.1
85.65646	0.2
91.05471	1.8
93.07050	0.6
95.04955	1.2
95.08556	0.3
96.05753	0.4
97.02873	0.8
103.05467	3.1
105.07022	3.8
106.04153	0.8
107.04949	6.1
109.06470	0.4
111.07999	0.2
115.05455	1.3
115.31556	0.3
117.07037	1.2
119.04938	0.5
119.08563	0.4
120.37216	0.3
121.06516	1.8
122.03671	0.4
123.04426	4.2
123.08012	0.5
124.05209	2.4
125.05968	0.8
127.03929	0.5
129.06989	0.8
131.04924	6.1
131.08549	0.9
132.05597	0.4
133.06480	4.4
134.03535	0.4
135.08102	1.3
137.05971	2.9
141.06952	0.6
143.04916	0.5
143.06012	0.4
143.08543	0.4
144.05606	0.5
144.06621	0.3
145.06497	2.4
147.04384	1.6
147.08092	0.3
149.05969	0.4
151.03883	1.1
151.07516	3.5
152.04694	1.6
153.05412	0.7
155.08528	0.4
157.06470	0.5
158.07236	1.0
159.08040	1.9
160.05154	0.4
161.05960	6.1
163.07529	11.4
164.07042	0.3
165.05444	0.3
165.09126	0.3
166.06221	0.3
167.07027	100.0
168.07358	0.9
172.05219	0.3
173.05910	1.2
173.09596	1.1
175.07564	2.0
177.05440	0.3
177.09119	2.5
178.06174	0.3
179.07025	2.8
180.08638	0.5
181.08582	3.9
187.07527	2.6
189.09064	0.8
192.07709	0.6
193.08601	15.1
196.53741	0.3
201.09068	2.2
203.08556	0.4
203.71260	0.3
204.07721	0.4
205.08609	1.1
207.10168	0.8
217.08534	0.8
219.10152	2.4
221.11723	0.5
231.08122	0.5
233.11713	3.3
237.11153	2.8
248.08360	0.4
249.11230	1.1
250.11563	1.3
251.12784	1.9
263.10629	0.4
291.10056	0.8
295.13242	1.0
304.11584	0.5
305.11630	0.4
315.09894	0.4
323.12741	2.2
325.28387	0.3
355.15366	12.6
387.17999	14.0
389.13354	0.4
405.19058	31.4
406.19315	0.8
423.20139	1.0
600.83197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01863	5.3
55.05509	24.1
56.87482	3.7
57.07058	9.4
59.04993	3.9
65.03929	7.7
67.05501	32.9
68.36216	3.5
69.03430	19.8
69.03738	4.1
69.07055	19.6
70.88448	6.5
70.88761	3.7
71.08624	4.3
77.03957	4.4
79.05474	31.4
80.84431	3.9
81.03426	7.2
81.07056	48.3
83.04995	19.0
83.08608	15.3
87.04467	10.7
87.24886	3.7
89.06012	4.3
91.05478	52.0
93.07036	78.1
94.90732	3.7
95.04975	22.4
95.05483	3.7
95.08602	42.3
97.06524	12.5
103.05422	4.5
105.07016	92.2
107.04872	5.0
107.08578	72.6
109.06505	15.1
109.10146	35.3
111.08058	8.1
113.09632	5.3
115.05434	10.8
116.06239	5.2
117.06994	22.5
119.08567	100.0
120.08914	3.9
120.45992	3.7
121.06503	13.5
121.10134	80.0
123.08066	14.6
123.11710	13.4
125.05932	5.1
125.09615	14.1
128.06212	12.9
129.06979	19.7
131.08549	43.5
133.06448	9.3
133.10101	67.1
135.08040	19.7
135.11681	24.4
137.09624	12.8
139.11191	6.4
140.36615	3.8
141.06996	8.2
142.07764	19.5
143.08553	40.9
144.09285	9.8
145.10107	82.5
147.08014	20.0
147.11655	26.2
149.09598	17.1
149.13269	5.3
151.07547	7.1
154.07648	5.1
155.08528	21.4
155.10652	4.1
156.09344	16.8
157.10130	56.0
158.10825	6.1
159.08040	24.5
159.11673	41.9
161.06033	6.3
161.09592	11.2
161.13255	15.0
163.11211	7.8
165.07030	5.7
165.09119	23.8
167.08511	12.9
167.10661	62.9
168.09300	5.2
169.10118	33.3
170.10806	11.1
171.11662	43.5
172.12325	3.9
173.09625	9.6
173.13263	26.3
175.11111	9.0
175.14845	19.8
179.08603	9.3
180.09372	6.5
181.10085	16.8
181.12257	11.2
182.10855	10.3
183.11732	26.3
184.12425	8.0
185.09621	7.2
185.13242	23.4
187.11108	6.2
187.14775	9.7
189.12767	10.3
193.10155	13.7
194.10918	14.6
195.11665	23.3
196.12407	7.0
197.13231	29.2
199.14816	17.1
201.12871	4.0
201.16389	5.4
203.14305	14.8
206.10938	4.2
206.71431	3.7
207.11761	18.8
207.13611	5.5
208.12476	12.0
209.13232	21.7
209.15045	4.1
211.14845	17.1
213.12729	4.8
213.16197	6.4
217.15675	5.7
219.11642	4.5
219.17424	4.9
221.13214	10.9
221.15327	71.0
222.62878	4.1
223.14798	14.3
225.16479	10.2
231.11818	6.6
233.13191	8.4
233.15312	31.3
235.14722	5.8
237.16356	8.9
239.17758	4.3
241.15733	6.1
246.13959	5.2
247.14900	7.2
249.16440	6.4
251.17857	4.4
257.19031	4.8
259.14691	4.0
261.16190	6.1
262.16776	4.3
263.17960	9.2
265.19583	4.6
267.21143	4.0
269.18985	11.5
277.19540	4.8
281.18820	6.0
283.20712	9.0
287.20172	6.3
293.18784	4.7
299.20102	5.0
380.59457	4.3
443.50009	4.6
457.06070	4.1
466.75131	5.0
491.34933	11.2
509.35440	4.4
565.40057	5.4
583.41345	18.1
601.42096	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01873	1.5
55.05510	19.6
57.07073	10.3
59.04994	5.4
59.65041	1.4
65.03929	4.6
67.05164	2.3
67.05501	32.5
67.05857	1.9
68.05820	1.7
69.03427	15.1
69.07065	22.8
71.04974	3.0
71.06334	2.2
71.06637	2.0
79.05492	30.6
80.06271	1.8
81.07052	47.3
83.04975	23.0
83.08613	19.9
85.06531	6.5
87.04464	2.7
90.16694	1.4
91.05476	54.2
93.07038	81.1
95.04968	28.1
95.08604	43.4
97.06525	13.9
97.10117	2.2
97.56934	1.4
98.75538	1.6
99.08057	2.3
103.05454	5.0
104.06209	2.1
105.04499	2.2
105.07026	89.8
107.04955	3.9
107.08592	82.8
109.06516	17.3
109.09438	2.9
109.10151	37.0
111.08080	5.6
111.11691	2.5
113.09628	5.7
115.05434	7.9
116.06229	2.1
117.07016	23.0
119.08575	100.0
120.04044	1.7
121.06504	13.8
121.10140	98.3
123.08070	14.5
123.11702	12.4
125.05965	3.4
125.09624	17.2
128.06219	12.4
129.06996	19.1
130.07806	8.4
131.08568	47.0
133.06482	3.8
133.10133	67.8
134.10641	1.9
135.08047	19.5
135.11691	30.7
137.09616	12.7
139.11174	6.0
141.06982	8.4
142.07791	22.4
143.08551	47.7
144.09344	9.8
145.06471	2.5
145.10118	82.4
147.08046	12.2
147.11673	24.6
149.09605	20.9
149.13257	4.0
151.07472	4.8
151.11162	4.8
153.06989	4.6
153.09105	2.4
154.07722	3.2
155.08565	19.5
155.10655	5.5
156.09344	16.1
157.10126	59.3
157.87064	1.6
158.10837	7.2
159.08055	17.0
159.11690	40.9
160.12373	1.6
161.09607	15.1
161.13245	8.7
163.11165	9.2
163.14816	2.2
165.07010	6.0
165.09073	7.9
166.07727	3.8
167.08618	10.8
167.10670	89.8
168.09335	6.3
169.10107	29.6
170.10881	7.3
171.11687	35.7
172.08820	2.4
172.12421	2.6
173.09587	6.5
173.13255	27.3
175.11253	10.3
175.14813	19.0
177.12756	2.0
179.08553	12.8
179.10573	2.1
180.09300	6.2
181.10101	16.3
181.12170	8.3
182.10957	10.2
183.11708	28.9
184.12418	5.8
185.09625	4.9
185.13260	18.1
187.11191	4.5
187.14799	11.2
189.12686	7.9
189.16383	2.5
191.14374	8.7
191.81955	1.6
192.09297	3.1
193.10143	14.6
193.11703	2.1
194.10902	7.7
195.11707	23.2
196.08798	2.7
196.12433	6.9
197.13243	26.3
199.11234	3.7
199.14803	19.0
201.12755	4.9
201.16370	7.9
203.14264	7.4
204.09344	1.6
205.10088	3.0
205.15880	2.5
206.10887	6.2
207.11703	19.4
207.13704	3.0
208.12451	9.4
209.13277	27.4
209.15271	4.6
210.10223	1.9
210.13881	3.9
211.11226	3.0
211.14790	19.0
212.15553	2.0
213.12709	4.5
213.16360	5.3
215.14340	6.4
215.17978	2.5
217.10059	3.2
217.15880	5.9
219.11659	6.2
219.17433	3.1
220.12474	3.9
221.13226	13.9
221.15388	19.6
222.14014	3.9
223.11246	2.0
223.14784	16.5
225.12788	3.7
225.16348	11.7
227.14275	6.0
227.17894	2.5
229.15877	3.5
231.11617	3.9
231.17517	2.4
232.12366	2.1
233.13191	5.8
233.15324	35.6
234.15962	3.2
235.14786	13.1
236.15518	2.4
237.16339	10.4
239.17963	5.1
241.15784	1.6
241.19417	2.0
244.12375	1.9
245.13075	3.2
245.15430	2.3
246.14070	3.3
247.14806	8.9
247.17076	3.5
248.15596	3.8
249.16414	8.9
251.17929	8.1
253.15697	1.9
253.19403	2.2
255.17496	3.2
257.13284	2.6
257.19022	3.8
258.14014	2.8
259.14737	4.5
260.15558	2.4
261.16409	6.9
262.17194	2.2
263.14474	1.7
263.17883	5.5
265.15829	1.7
265.19479	8.1
267.17633	2.1
269.18948	14.4
271.20502	2.7
273.16296	5.7
273.18793	2.4
275.17850	4.2
277.15570	1.8
277.19482	6.4
279.21213	1.9
281.18994	5.9
283.20471	7.9
285.16092	2.3
285.18817	2.7
285.22034	1.9
287.17468	3.2
287.20148	4.7
289.19345	3.6
291.20953	3.6
293.18982	3.0
295.20520	5.5
297.22107	2.7
299.20120	5.1
301.21863	7.8
303.20886	2.5
309.22125	2.0
311.20126	2.7
315.21069	2.7
317.22623	2.6
329.22476	1.9
331.24237	2.8
335.23569	3.2
337.25409	1.8
343.24182	2.4
347.23514	2.9
349.25058	5.1
351.23157	2.1
359.23495	1.8
361.25287	3.7
365.24634	3.0
367.26270	4.1
377.24802	2.0
425.28525	1.9
491.34738	3.4
547.39398	1.8
565.40778	9.4
583.41443	14.3
601.42328	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.5
53.03941	6.1
55.05515	19.0
57.07079	13.7
59.04984	4.4
60.50719	2.7
61.56828	2.4
62.45395	2.6
65.03922	3.9
65.12241	2.7
67.05501	37.2
69.03425	13.9
69.07055	28.0
70.82008	5.5
70.82351	4.6
71.04996	3.7
79.05489	36.2
81.03405	8.2
81.07053	50.8
82.96921	2.3
83.04977	20.0
83.08608	18.8
83.55878	2.4
84.66533	2.3
85.06535	7.2
87.04469	6.3
88.13019	2.4
89.06046	4.5
90.13514	2.6
91.05480	61.2
93.06458	4.7
93.07039	75.2
94.93970	2.7
95.04973	27.8
95.08601	48.5
95.09170	5.1
96.82977	3.1
97.06517	16.6
97.10159	3.3
101.25871	2.6
103.41918	2.8
105.04550	2.8
105.07026	90.1
107.04912	4.7
107.08596	75.9
109.06499	21.7
109.10149	35.0
111.08089	7.8
113.09615	4.0
115.05434	11.1
117.07028	22.5
119.08577	100.0
121.06516	13.4
121.10146	78.9
123.08066	19.7
123.11691	9.4
125.06011	4.0
125.09616	14.0
128.06198	11.1
129.06984	16.7
130.07759	8.3
131.08571	48.8
133.10123	59.1
135.08069	24.0
135.11658	20.9
137.09564	10.8
139.11182	3.6
141.06979	10.1
142.07768	24.7
143.08553	40.6
144.09354	7.8
145.06418	5.8
145.10129	71.7
147.08064	18.8
147.11682	25.2
149.09592	18.1
149.13266	6.0
151.07526	8.3
151.11266	4.0
153.06905	5.1
154.07771	4.3
155.08549	19.5
155.10591	4.2
156.09357	18.3
157.10123	61.1
158.10881	8.3
159.08083	15.4
159.11694	45.1
161.09608	11.1
161.13258	11.3
163.11159	10.6
165.06949	6.4
165.09119	19.6
166.07748	4.7
167.08498	10.4
167.10675	60.9
168.09364	6.6
169.10095	27.6
170.10901	8.2
171.11696	36.8
173.09607	9.8
173.13235	24.9
174.13603	3.3
175.11176	9.5
175.14789	17.0
178.07771	4.3
179.08557	10.3
180.09277	4.7
181.10103	19.1
181.12202	8.0
182.10892	9.0
183.11710	31.7
184.12434	5.3
185.09645	4.7
185.13264	24.3
187.11217	6.8
187.14845	13.9
189.12793	8.2
191.14302	8.2
192.09332	5.2
193.10080	8.9
194.10878	8.6
195.11671	21.7
196.12434	6.0
197.13229	23.4
199.11121	5.7
199.14847	11.2
201.12756	6.4
201.16344	5.0
203.14261	9.9
205.10107	3.2
207.11641	16.1
207.13620	5.0
208.12402	5.9
209.13222	29.5
209.15411	7.4
210.13940	4.0
210.50897	2.8
211.11209	3.8
211.14806	15.8
213.12741	3.4
213.16389	4.4
215.14287	4.5
217.15953	4.6
219.11691	3.9
219.17421	3.3
220.12424	4.5
221.13252	13.7
221.15366	45.1
223.11122	3.1
223.14757	12.8
225.16270	8.9
227.14320	6.5
227.17897	3.7
231.11719	4.0
233.13217	5.2
233.15306	28.2
234.13931	4.3
234.16171	3.4
235.14813	10.4
237.16408	8.9
239.17857	5.3
245.13188	4.1
247.14703	6.0
247.17104	4.1
249.16364	7.6
251.14754	2.7
251.17960	7.5
259.14807	3.3
261.16208	3.5
263.17801	6.8
265.19562	6.5
269.19006	10.6
275.17776	4.8
281.18848	4.9
295.20453	4.2
299.19916	3.2
301.21640	4.5
367.26227	3.9
377.24832	4.1
491.34851	5.6
565.40356	7.0
583.41913	14.5
601.42303	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.4
53.03939	4.4
55.01863	2.7
55.05507	19.6
57.07078	11.5
59.04989	6.3
65.03931	4.9
67.05499	28.8
69.03420	15.9
69.07066	26.7
70.79703	7.3
71.04990	2.8
72.41672	2.3
79.05492	31.9
81.07051	48.5
83.04973	21.0
83.08607	14.6
85.06532	7.0
87.04488	3.4
90.67590	2.2
91.05470	62.3
93.07038	94.2
95.04967	29.9
95.08607	41.7
97.06541	12.6
97.10139	4.1
103.05476	5.8
104.18146	2.2
105.07027	96.7
106.07343	3.3
107.04933	4.4
107.08589	75.4
108.08947	2.7
109.06531	16.5
109.10151	33.5
111.08064	7.0
115.05446	5.5
116.06238	2.7
117.07011	18.6
119.08576	100.0
120.08923	3.6
121.06486	12.8
121.10139	87.0
122.10472	2.1
123.08070	22.2
123.11696	8.0
125.05980	5.2
125.09637	15.4
128.06194	15.2
129.06998	21.6
130.07770	7.6
131.08569	39.6
133.06485	4.9
133.09109	3.5
133.10124	61.3
135.08080	21.2
135.11693	21.9
137.09612	14.9
139.11255	4.9
141.06995	9.0
142.07805	23.1
143.08553	45.9
144.09337	9.5
145.06480	3.3
145.10117	60.3
146.10535	3.0
147.08051	24.0
147.11678	24.0
148.08377	2.0
149.09607	19.1
149.13274	5.6
151.07539	15.3
151.11249	3.5
153.06989	2.4
153.09161	3.3
154.07727	4.1
155.08551	20.9
155.10704	2.6
156.09340	22.1
157.10124	63.3
158.10738	7.7
159.08035	15.0
159.11682	43.4
161.09587	20.7
161.13240	10.8
163.11140	13.8
165.06996	8.2
165.09111	43.7
167.08521	7.0
167.10680	49.6
168.09381	5.1
169.10132	31.4
170.10953	11.4
171.08055	2.8
171.11679	38.2
172.12392	4.5
173.09653	11.2
173.13255	25.5
175.11209	9.8
175.14841	11.2
177.12752	2.6
179.08565	9.1
180.09245	4.9
181.10150	15.5
181.12166	16.1
182.10887	10.9
183.11687	25.4
184.08716	2.9
184.12413	4.0
185.09549	3.8
185.13242	24.9
186.13782	2.9
187.11160	7.5
187.14757	11.3
189.12721	11.5
190.13358	3.3
191.08553	2.3
191.14229	9.2
192.09375	3.9
193.10097	13.0
193.11955	2.4
194.09183	2.0
194.10812	12.1
195.11691	25.2
195.22461	2.1
196.12427	6.1
197.13255	23.0
199.11206	3.6
199.14795	14.7
201.12691	4.7
201.16379	4.3
203.14320	23.9
205.10092	3.9
205.15904	2.4
206.10912	6.7
207.11691	13.6
207.13745	7.0
208.12418	6.5
208.14401	3.0
209.13258	22.5
209.15317	6.2
210.13947	4.8
211.11244	3.8
211.14816	19.7
212.11990	3.2
212.15538	2.4
213.12752	4.8
213.16338	4.5
215.14294	6.5
217.15871	7.6
219.11693	5.2
220.12454	6.6
221.13257	10.9
221.15320	93.1
222.13853	4.8
222.15759	7.2
223.11259	2.8
223.14845	16.8
225.12746	3.6
225.16319	6.8
227.14320	7.1
231.11694	5.8
232.12587	3.1
233.13190	8.2
233.15387	22.9
234.13809	2.6
235.14853	10.6
235.17053	3.0
236.15540	3.5
237.16380	8.0
239.17891	5.3
241.15794	3.1
243.17589	2.9
244.12402	3.1
245.13292	4.0
246.14105	2.5
247.14804	7.6
247.17072	3.0
249.16415	7.3
251.14340	2.9
251.17816	5.7
255.17456	3.9
259.14783	5.0
261.16339	6.1
263.17935	7.0
265.19559	7.9
269.18973	5.2
273.16333	5.7
275.17688	4.4
277.19427	4.0
279.21024	2.3
281.19070	3.8
283.20520	7.8
285.18494	3.0
286.19360	3.7
287.19980	8.1
289.19495	3.3
291.21021	3.1
295.20444	5.0
297.18573	3.1
299.19962	7.9
300.20728	5.9
301.21667	9.6
304.19867	3.0
311.20068	2.9
312.20673	3.5
325.21661	2.3
331.24249	5.0
349.25302	7.6
351.23325	2.4
352.23932	7.2
353.24219	9.7
361.25226	3.5
365.24777	3.9
366.25269	2.8
367.26266	9.6
375.26620	5.4
379.26337	3.4
393.27969	4.1
473.34189	3.8
491.35242	6.0
503.34821	3.7
509.34473	4.4
521.36194	5.7
547.38580	2.9
565.40350	10.9
566.40778	2.8
583.41180	24.5
584.42908	2.5
601.42584	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
53.03940	4.3
55.05505	18.7
57.07072	12.2
58.86270	1.7
59.04983	4.1
65.03936	4.8
67.05501	36.6
69.03423	18.8
69.07069	23.7
69.91805	1.8
71.04997	2.0
71.61376	2.5
77.03917	2.2
79.05487	40.0
81.03413	3.5
81.07050	48.5
83.04984	19.5
83.08602	12.7
85.02914	2.1
85.06530	7.8
87.04452	2.9
87.40274	1.6
89.06027	2.4
91.05472	57.3
93.07039	82.7
94.07372	3.2
95.04967	31.2
95.08607	49.1
97.06514	10.7
101.18749	1.7
103.05461	5.3
105.07027	100.0
107.08589	69.6
109.06516	16.1
109.10143	26.7
111.08074	6.3
111.11712	4.0
113.09615	3.5
115.05447	6.5
116.06251	2.9
117.07015	21.2
119.08575	99.0
121.06518	12.1
121.10135	87.2
123.08076	18.5
123.11709	11.3
125.05971	5.4
125.09628	14.3
128.06221	13.8
129.07019	18.8
130.07791	8.5
131.08562	40.6
133.06485	4.4
133.10124	54.3
135.08040	21.9
135.11688	21.7
137.09647	11.7
139.11160	7.1
141.06981	9.5
142.07773	22.8
143.08562	45.6
144.09361	10.6
145.06493	3.6
145.10117	76.1
146.07214	2.2
146.10439	2.4
147.08058	22.3
147.11699	24.6
149.09616	20.1
149.13261	3.8
151.07524	13.0
151.11118	3.4
153.06995	5.0
154.07788	3.2
155.08546	19.6
155.10591	3.8
156.09351	21.3
157.10130	58.1
158.10814	6.5
159.08043	12.6
159.11684	38.7
160.12126	2.0
161.09633	16.7
161.13298	9.7
163.11162	13.5
165.06976	8.2
165.09099	36.3
166.07744	3.6
167.08572	11.6
167.10655	51.0
168.09319	7.0
169.10121	34.4
170.10925	9.2
171.11702	38.5
172.12370	3.4
173.09601	7.6
173.13269	25.9
175.11197	13.2
175.14781	14.0
177.12715	4.3
178.07840	2.0
179.08580	12.0
179.10654	1.9
179.76288	1.8
180.09285	5.7
181.10173	17.3
181.12154	16.3
182.10922	10.7
183.11679	31.1
184.12411	6.6
185.09595	5.5
185.13258	23.5
187.11136	5.8
187.14769	9.5
189.12755	11.9
190.13495	2.7
191.14284	9.5
192.09293	4.5
193.10196	12.2
193.11761	2.9
194.10950	11.1
194.12437	2.3
195.11662	19.3
196.12503	7.4
197.09520	2.9
197.13254	21.7
198.13744	2.2
199.11169	3.6
199.14815	13.7
200.12067	2.3
201.12738	6.5
201.16377	6.4
203.14313	17.2
204.14429	2.2
205.10098	3.4
206.10918	6.6
207.11696	18.2
207.13774	6.8
208.12364	6.1
209.13240	25.8
209.15323	6.4
210.14023	4.1
211.11240	4.2
211.14795	18.3
212.15527	2.3
213.12741	5.6
213.16342	5.7
215.14250	7.6
217.15935	5.5
219.11664	8.8
220.12430	7.7
221.13213	13.4
221.15306	79.0
222.13898	4.1
222.15802	4.8
223.11221	3.7
223.14809	15.3
224.15550	5.6
225.12796	1.9
225.16316	10.9
227.14270	5.6
227.18008	2.9
229.15849	3.1
231.11502	3.1
231.17448	2.3
233.13225	5.7
233.15370	28.2
234.14001	3.5
234.16080	4.2
235.14845	8.3
236.15433	2.7
236.89195	2.1
237.16389	7.6
239.14342	2.3
239.17958	4.8
241.15781	2.3
241.19534	2.0
243.11542	1.9
244.12543	2.0
245.13185	3.0
246.14014	2.5
247.14798	6.6
247.16997	5.1
248.15456	2.6
249.16452	6.7
251.17958	8.1
253.15938	2.3
253.19556	2.7
255.17284	2.0
257.13260	2.9
257.19019	5.7
259.14838	3.7
261.16330	8.1
262.17020	2.5
263.17908	5.3
265.19562	8.0
267.17365	2.7
269.18994	6.8
273.16214	3.7
274.17142	2.1
275.17914	5.2
277.19431	3.9
279.21002	2.8
281.19040	3.7
283.20547	10.0
287.20020	7.1
289.19449	3.2
290.19989	2.1
293.18976	2.3
295.20605	5.0
297.22110	3.0
299.20047	5.3
300.20880	3.8
301.22003	10.4
307.20605	2.3
309.22098	2.7
311.20102	4.7
312.20789	5.2
313.21664	3.8
315.21002	2.1
317.22580	2.9
319.24350	1.9
331.24371	3.0
349.25153	9.2
352.23895	5.1
353.24295	7.3
361.25177	2.5
365.24869	3.2
367.26276	8.0
375.26733	4.3
379.26462	2.4
391.26392	2.2
393.27853	4.1
403.29901	3.0
473.34055	2.5
491.35101	5.2
509.35400	3.0
521.35895	6.6
547.39008	2.5
565.40521	11.9
583.41565	18.9
601.42535	47.3
602.42920	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.8
56.88512	1.7
57.07058	7.8
59.04977	5.0
67.05503	11.2
69.03411	8.3
69.07051	6.0
69.47658	2.7
69.48052	14.6
79.05492	12.1
80.39755	1.6
81.07049	20.9
82.21994	1.9
83.04959	5.6
83.08617	2.4
85.06540	2.1
91.05473	20.0
93.07037	33.2
95.04961	8.5
95.08604	20.0
97.06508	1.8
105.07018	38.8
107.08579	20.1
109.06519	9.1
109.10157	8.7
110.68179	2.2
117.07046	8.8
119.08575	41.7
121.06464	4.5
121.10126	24.8
123.08072	18.5
123.11715	2.9
125.05972	4.0
129.07027	4.0
130.07747	3.1
131.08562	12.3
133.06454	2.9
133.10135	26.4
135.08032	12.6
135.11674	10.5
137.09607	15.5
142.07750	7.7
143.08559	12.7
144.09291	3.3
145.10110	29.8
146.10512	1.7
147.08029	25.2
147.11661	8.9
148.08467	3.0
149.09584	7.3
151.07521	15.2
153.09155	1.9
155.08507	5.5
156.09314	6.0
157.10098	20.8
158.10838	3.5
159.07999	4.0
159.11671	16.6
160.11949	2.6
161.09558	3.8
161.13245	7.9
163.11171	11.0
165.06981	2.5
165.09113	58.4
165.10498	3.1
166.09431	4.3
167.08577	2.2
168.09300	3.6
169.10098	8.2
170.10735	4.1
171.11664	13.2
172.12283	2.2
173.13239	7.6
175.11163	3.9
175.14838	5.3
179.10680	2.1
181.10110	6.7
181.12180	8.5
182.10858	4.4
183.11707	10.8
185.13188	7.6
187.11180	1.9
187.14804	7.3
189.12726	5.4
190.13332	1.9
191.14229	3.2
193.09993	2.1
193.12360	2.4
194.10829	1.9
195.11673	8.7
196.12257	2.5
197.13239	7.5
199.14778	3.9
201.12798	2.9
203.14285	18.3
204.14650	1.8
207.11749	4.2
207.13809	7.7
208.14453	2.1
209.13208	7.8
209.15285	3.1
211.11060	2.2
211.14749	4.1
213.12820	2.8
213.16234	2.2
218.10822	1.9
219.11600	2.6
221.13562	4.0
221.15343	100.0
222.15643	9.4
223.14796	5.0
233.13185	1.9
233.15306	2.0
234.16141	2.8
235.14760	2.9
237.12671	2.5
237.16335	4.0
241.15633	2.3
247.16925	5.4
286.19418	3.6
287.19989	5.6
299.20053	3.1
300.20749	5.6
301.21640	4.4
309.43579	2.3
311.19904	2.5
313.21490	3.4
325.21423	2.5
326.21945	3.1
341.24185	1.9
352.24020	3.8
353.24347	5.3
367.26199	8.8
393.27338	3.0
440.29193	3.0
441.29486	7.7
467.60666	2.6
491.35013	7.1
509.36249	4.7
521.35815	7.8
565.39978	2.2
583.40979	12.2
601.42334	45.4
602.42804	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05496	3.3
57.07065	6.3
57.35838	1.5
59.04992	2.7
67.05492	8.4
69.03416	5.7
69.07063	3.9
69.37256	4.5
69.37675	8.4
79.05483	10.2
81.07054	16.0
83.04968	2.8
83.08602	2.9
91.05470	14.6
93.07040	26.3
94.07362	1.5
95.04965	6.9
95.08595	15.0
97.06535	4.1
105.07011	29.2
107.08589	15.3
109.06516	7.3
109.10134	8.3
111.08080	2.3
117.07017	7.5
119.08575	32.1
120.08900	2.1
121.06490	5.0
121.10136	16.8
123.08065	12.7
125.05991	4.4
128.06206	1.4
129.06953	4.3
130.07765	1.9
131.08551	13.7
133.10133	19.1
135.08020	9.3
135.11650	6.5
137.09607	9.9
141.06938	1.7
142.07784	4.6
143.08539	11.8
144.09338	2.2
145.09033	2.6
145.10115	26.7
146.10406	1.4
147.08032	17.3
147.11633	6.9
148.08368	1.7
149.09624	5.1
150.09978	1.4
151.07498	12.2
155.08536	4.6
156.09364	4.0
157.10130	17.2
158.10561	1.6
159.08067	3.1
159.11687	16.0
161.09631	5.9
161.13283	4.8
163.11176	8.5
165.09087	41.0
166.09451	3.1
167.08487	2.0
167.10704	1.5
169.10107	7.1
170.10815	2.3
171.11655	8.8
172.12328	1.6
173.09517	2.8
173.13246	5.8
175.11125	5.5
175.14809	4.9
177.09219	1.6
179.08582	1.7
181.10135	3.2
181.12209	7.4
183.11646	6.5
184.12047	1.5
185.13257	5.5
187.11087	2.0
187.14798	3.5
189.12740	4.0
191.14227	3.0
193.10191	2.3
193.12212	2.7
194.10953	1.4
195.11682	5.1
196.12347	2.0
197.13246	4.7
201.12701	1.5
203.14297	16.9
207.11807	3.2
207.13820	5.7
209.13234	4.3
209.15092	1.4
211.14844	4.0
213.16287	2.5
221.13394	4.2
221.15335	100.0
222.15698	5.5
223.14731	3.4
225.16386	2.1
226.16426	1.9
234.16162	2.5
235.14774	3.3
235.16953	2.0
237.16454	3.4
247.16945	6.0
286.19330	3.6
287.20081	5.7
297.22009	1.7
299.20023	4.2
300.20685	4.9
301.21582	5.2
309.22083	1.4
311.20135	1.7
312.20685	2.8
313.21484	4.0
314.21979	2.2
325.21506	2.2
326.22205	2.0
340.23819	3.0
341.24298	1.6
349.25388	2.0
352.24011	4.7
353.24402	4.4
366.25000	1.8
367.26447	6.8
375.26801	3.8
393.27621	1.6
426.27371	1.8
427.28030	1.5
440.29404	3.4
441.29428	9.8
491.35281	12.5
509.36072	5.0
521.35858	11.8
583.41302	14.9
601.42267	37.5
602.42743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	54.4
71.18446	100.0
75.28767	51.6
81.07037	54.7
91.05495	88.5
93.06999	74.7
95.08596	56.5
105.07009	65.4
107.08557	56.6
126.34781	59.9
133.08543	59.3
147.08014	66.8
197.13087	65.8
247.16628	54.8
254.48337	51.9
306.42477	48.6
328.88510	52.1
487.83502	56.0
600.41364	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1705
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
55.01846	1.9
55.05496	0.5
65.03922	0.6
67.05486	0.8
68.99772	1.6
69.03428	6.7
69.07040	0.7
70.49464	0.4
70.93087	0.5
70.93417	0.9
79.05480	3.3
81.07027	0.6
89.03900	1.3
91.05469	2.1
93.03410	2.4
93.06995	0.9
95.04980	3.3
95.08582	0.6
100.14057	0.5
103.05435	0.9
105.07019	1.0
107.04967	4.0
109.06477	0.5
109.10178	0.6
110.03667	0.6
115.05431	1.0
117.03375	2.4
117.07024	0.6
119.04918	0.8
119.08575	0.7
121.02905	0.6
123.04449	2.3
125.05985	1.2
128.06213	1.0
129.06981	1.7
131.04959	1.1
133.06465	0.6
135.04420	8.0
137.02365	0.5
137.05971	2.3
139.03906	0.8
141.06958	2.0
142.07738	0.5
143.04913	0.6
143.08557	0.7
144.05708	0.7
145.02837	7.1
145.06479	0.7
147.04391	1.9
149.05997	1.3
151.02702	1.0
151.03902	15.1
151.05089	1.2
152.06184	3.3
153.05540	0.6
153.06967	1.9
155.04836	0.8
155.08560	3.2
157.06435	2.0
159.04411	0.7
160.05234	0.9
161.05989	1.4
163.03906	15.1
165.01875	1.2
165.06976	5.5
166.07660	0.5
167.07172	0.7
167.08539	5.2
168.05698	1.1
169.06477	2.2
170.07381	0.7
171.04395	0.8
171.08040	2.0
172.05148	0.9
173.06061	2.3
175.03896	1.7
176.04681	0.6
177.05501	10.6
177.06992	1.9
179.03322	0.7
179.08473	1.1
181.04970	1.3
181.06529	1.5
183.02849	1.7
183.04404	0.8
183.08052	7.1
184.05164	0.8
185.05946	2.7
185.09596	1.7
186.06786	0.9
187.03935	1.7
187.07545	1.5
189.05431	2.7
190.06224	1.7
191.03386	92.8
192.03844	1.4
193.06413	0.8
194.07275	0.7
195.08060	7.1
196.05330	0.7
197.06007	2.9
198.06783	0.8
199.03894	1.6
199.07518	2.4
200.04727	3.0
201.05475	4.3
201.09091	0.7
203.03369	3.0
205.04921	1.2
205.06563	1.2
207.08055	1.4
209.04375	1.0
210.06718	1.1
211.07549	5.6
212.04588	1.2
213.05460	2.4
213.09004	3.4
214.06154	1.3
215.03424	2.2
215.06955	2.7
217.04974	2.5
218.05734	6.2
219.02834	1.0
219.06361	0.7
221.06085	1.1
222.06882	0.6
223.07538	5.4
225.05438	1.4
225.09207	0.9
227.07121	1.8
228.04120	0.7
229.04977	1.9
229.08559	5.2
230.05672	1.3
231.06546	1.7
233.04440	1.7
235.07602	0.8
237.05519	0.5
238.06293	1.7
239.07056	2.0
240.07773	0.7
241.04802	1.0
241.08617	3.6
242.05788	0.7
243.06508	5.9
245.04407	1.4
245.08063	4.3
246.05280	2.3
249.05504	0.7
251.07127	1.4
253.08691	2.5
255.06462	2.7
257.08121	1.8
259.09677	3.0
261.07529	0.8
266.05707	1.9
267.06555	2.0
268.07315	0.5
269.04916	0.9
269.08127	5.7
270.08478	0.6
273.07541	9.5
281.08133	0.9
283.06064	2.1
284.06595	2.2
285.07632	1.4
286.08463	1.7
287.09122	21.0
297.03952	1.8
297.07278	0.7
299.09143	17.9
301.07104	2.0
315.08621	8.7
401.05997	0.7
401.10672	0.9
414.07401	0.7
418.06833	0.6
419.11389	0.8
429.09583	2.5
433.09103	0.6
436.07962	3.2
447.10593	2.8
459.10803	1.9
477.11819	4.1
560.13361	0.8
573.17157	0.8
583.15692	1.2
601.17029	100.0
602.17493	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76918	0.2
58.11700	0.2
69.03428	0.4
70.13268	0.6
70.13674	0.5
73.02911	0.2
79.05485	0.4
81.07069	0.2
85.02891	0.8
91.05473	1.0
93.51305	0.2
97.02901	0.4
105.07010	0.5
107.04923	0.9
115.05457	0.6
117.07009	0.5
123.04402	0.2
128.06248	1.0
129.06992	2.8
129.48662	0.2
131.04895	0.3
131.08556	4.6
132.05730	0.3
133.04980	0.3
133.06441	0.7
133.10115	0.2
137.05945	0.2
141.06963	0.9
143.08502	0.8
144.05675	1.3
145.06445	1.2
146.07274	0.3
147.04439	0.3
147.08035	0.3
153.07001	0.3
155.06013	0.3
157.06476	1.8
158.07220	0.4
159.08047	8.0
161.05952	0.4
161.09607	2.1
167.07011	0.9
168.84499	0.2
169.06400	0.4
169.07664	0.5
170.07251	1.2
171.08040	1.4
172.05212	0.5
173.05984	0.9
173.09637	0.3
174.06847	0.4
175.07512	0.7
177.05476	0.3
179.05534	0.4
181.08643	0.2
185.05913	0.2
187.07533	5.7
188.08217	0.4
189.05379	0.3
189.09088	3.0
190.06259	0.2
191.06993	0.3
192.07806	0.3
194.36084	0.2
198.06757	0.5
199.07542	0.8
201.09035	0.3
203.07014	0.9
204.07802	3.8
205.08606	0.6
206.09386	0.4
207.10049	0.4
212.34167	0.2
216.07794	0.9
217.08539	0.3
218.09338	0.5
219.10150	2.2
221.08199	0.3
221.11766	1.0
231.10158	2.1
233.11655	1.3
234.08812	0.4
237.11304	0.6
249.11200	100.0
250.11452	0.9
251.12769	2.9
252.73239	0.3
254.88950	0.2
267.12277	6.1
272.81369	0.2
455.12250	0.4
553.92444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
69.03426	1.0
71.61024	0.3
81.03414	0.3
81.07034	0.2
83.06078	0.3
85.02911	2.2
91.05455	0.9
97.02884	0.7
98.13860	0.2
103.05495	0.2
105.07018	0.5
107.04951	0.6
115.05450	0.8
116.06274	0.2
117.06978	0.4
121.06477	0.2
127.03880	0.4
128.06194	1.3
129.06995	3.3
131.08556	4.6
133.06493	0.7
133.10152	0.4
137.09659	0.2
141.06964	1.4
142.07759	0.5
143.08606	0.9
144.05687	1.4
145.06523	1.3
146.07236	0.5
147.04312	0.3
153.06966	0.5
156.05682	0.3
157.06488	2.3
158.07240	0.3
159.08051	9.2
161.05939	0.5
161.09642	2.3
167.07013	0.6
169.06410	0.4
169.07695	0.5
170.07246	1.3
171.08009	1.8
171.09200	0.2
172.05211	1.0
173.05969	1.0
174.06728	0.5
175.07550	0.8
180.08691	0.2
187.07533	7.5
188.08298	0.2
189.05505	0.5
189.09090	3.3
190.06094	0.4
191.07018	0.5
192.07759	0.4
193.08592	0.3
198.06743	0.5
199.07489	1.1
201.05522	0.2
203.07050	1.0
204.07811	3.9
205.08537	0.6
216.07831	1.4
217.08502	0.3
218.09294	0.4
219.10146	2.2
221.11679	1.4
231.10162	2.8
234.08897	0.4
237.11201	0.9
249.11209	100.0
250.11508	0.7
267.12268	5.3
283.09494	0.2
285.35873	0.2
411.16205	0.4
415.12387	0.3
464.45056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06950	0.2
52.98526	0.2
58.16827	0.2
61.02906	0.2
67.05487	0.2
69.03413	0.3
70.96334	0.4
70.96666	0.2
73.02894	0.5
79.05477	0.4
81.03413	0.2
85.02881	0.9
91.05466	1.6
95.04960	0.2
97.02320	0.2
97.02895	0.6
105.07019	0.6
107.04939	0.7
115.03873	0.2
115.05450	0.7
116.06206	0.2
117.06993	0.7
119.04912	0.2
121.06457	0.3
128.06194	1.1
129.06998	4.0
131.04959	0.5
131.08553	5.3
133.04919	0.3
133.06450	0.6
133.10165	0.5
137.05901	0.3
141.06979	1.4
142.07806	0.3
143.04868	0.3
143.08582	1.0
144.05692	1.5
145.06453	1.8
146.07243	0.6
147.04382	0.4
153.06979	0.7
155.05997	0.3
156.05630	0.2
157.06456	2.8
158.07257	0.8
159.08038	8.9
161.05968	0.7
161.09624	2.5
167.07027	1.0
169.06360	0.5
169.07626	0.7
170.07256	1.5
171.08041	2.3
172.05171	0.9
173.05965	1.2
173.09586	0.5
174.06772	0.6
175.07501	1.0
177.05396	0.3
178.06181	0.3
179.05467	0.2
184.05205	0.2
185.05879	0.3
186.06721	0.3
187.07529	7.7
188.08282	0.4
189.05452	0.4
189.09082	3.2
190.06155	0.4
191.07036	0.5
192.07861	0.3
193.08600	0.3
198.06734	0.6
199.07500	1.3
201.09129	0.7
203.07036	1.3
204.07797	3.5
205.08572	0.6
206.09377	0.6
207.10132	0.3
216.07814	1.2
217.08545	0.4
218.09283	0.5
219.10165	2.5
221.08136	0.3
221.11761	1.6
231.10150	2.3
233.11743	1.4
234.08943	0.5
237.11179	0.5
249.11198	100.0
250.11513	0.7
251.12741	2.8
267.12265	5.9
279.96021	0.2
282.93832	0.2
455.12329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
54.17338	0.1
57.03410	0.2
61.02908	0.3
66.21311	0.1
67.05486	0.2
69.03419	0.8
69.89450	0.3
69.89861	0.4
71.04964	0.2
73.02910	0.1
76.87827	0.1
78.62029	0.1
79.05479	0.3
81.03397	0.4
81.07029	0.4
85.02424	0.2
85.02903	2.1
87.04455	0.1
91.05462	1.1
93.07058	0.2
95.04995	0.2
95.08607	0.3
97.01678	0.1
97.02888	1.1
97.06489	0.2
97.87688	0.1
103.05430	0.3
105.07014	0.7
107.04956	1.7
108.05293	0.2
109.02872	0.3
113.02345	0.1
115.05440	0.9
116.06220	0.4
117.06973	0.7
119.04972	0.3
119.08575	0.2
119.77419	0.1
121.06499	0.3
123.04414	0.2
125.06097	0.1
127.03924	0.3
128.06207	1.8
129.00145	0.1
129.07004	4.9
131.04944	0.4
131.07565	0.3
131.08559	5.6
132.05812	0.1
133.06499	0.9
133.10118	0.4
137.05975	0.3
141.06964	1.8
142.07758	0.5
143.08589	1.1
144.05681	1.8
144.06604	0.1
145.04947	0.5
145.06474	1.7
146.07254	0.8
147.04396	0.5
147.08005	0.3
149.05980	0.1
153.06946	0.6
155.06042	0.2
156.05679	0.4
157.06477	2.3
158.07246	0.4
159.08047	9.7
161.05998	0.8
161.09612	2.7
161.13203	0.3
162.07672	0.6
167.04926	0.2
167.07036	2.3
169.06413	0.3
169.07610	0.9
170.07271	1.9
171.08031	2.5
172.05183	0.8
173.05963	1.1
174.06726	0.7
175.06128	0.2
175.07527	1.1
177.05443	0.3
178.06229	0.4
179.07123	0.2
179.14243	0.1
180.08688	1.1
185.05971	0.3
186.06750	0.2
187.07536	7.6
188.08266	0.3
189.05511	0.6
189.09088	3.3
190.06274	0.4
191.07030	0.5
192.07793	0.5
193.08572	0.3
198.06773	0.6
199.07529	1.0
201.05460	0.3
203.07019	1.5
204.07811	4.5
205.04790	0.1
205.08600	0.7
206.09343	0.4
207.06516	0.1
207.10182	0.3
216.07828	1.5
217.08557	0.5
218.09366	0.6
219.10120	2.0
219.89076	0.1
221.08151	0.3
221.11732	1.3
231.07999	0.2
231.10173	3.1
233.11702	0.2
234.08878	0.5
237.11145	0.8
249.11211	100.0
250.11490	0.9
267.12265	2.2
271.18985	0.2
287.05634	0.2
288.05688	0.2
289.06198	0.2
290.06409	0.4
291.06674	0.3
328.21304	0.1
353.10458	0.2
381.86551	0.1
410.21921	0.3
416.67313	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	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01870	0.7
55.05511	3.1
55.14452	0.6
57.07074	6.8
59.04961	2.4
60.23454	0.7
65.03916	0.7
67.05502	4.5
69.03423	7.7
69.07067	3.2
69.70007	3.6
71.05000	0.7
77.03908	0.6
79.05495	6.5
81.03408	0.9
81.07053	11.2
83.04980	3.0
83.08599	0.7
84.91153	1.5
85.06546	3.5
91.05479	12.4
93.06489	1.2
93.07040	20.0
95.04953	4.8
95.08604	11.3
97.06545	3.0
103.05468	0.6
105.07023	23.6
107.06475	0.5
107.08590	12.2
109.06499	5.4
109.10162	4.6
111.08030	1.7
115.05442	1.2
117.07007	4.3
119.08572	26.9
121.06507	4.3
121.10136	13.6
123.08059	13.0
123.11710	1.0
125.05958	3.3
128.06212	1.4
129.07008	4.0
130.07756	1.4
131.08557	9.6
133.06462	1.8
133.10117	12.4
135.07083	1.1
135.08038	12.0
135.11703	3.2
135.45872	0.6
137.09610	12.2
139.07504	1.8
141.06931	1.7
142.07774	4.8
143.08551	9.7
144.09317	2.3
145.10114	14.0
147.08037	26.0
147.11671	4.2
148.08791	0.8
149.09583	3.6
151.07535	8.0
151.11087	0.7
153.07057	0.8
153.09088	0.6
154.07811	0.7
155.08549	5.5
156.09331	4.4
157.10123	16.9
158.10976	0.6
159.08038	3.9
159.10638	0.7
159.11700	8.8
161.09616	5.7
161.13255	5.0
163.11188	8.0
165.06891	1.4
165.09108	55.0
166.07721	1.0
167.08536	1.7
167.10654	0.7
168.09320	2.0
169.10136	8.0
170.10863	4.2
171.07959	1.3
171.11681	9.5
173.09654	3.9
173.13219	3.4
175.11186	2.9
175.14807	1.8
177.09120	1.6
177.12746	1.5
179.08528	2.3
179.10680	0.8
179.14229	0.6
180.09334	0.9
181.10081	3.4
181.12230	6.9
182.10886	2.6
183.11687	10.1
185.09564	1.6
185.13245	6.1
187.11165	2.4
187.14813	2.1
189.12714	4.3
191.10680	4.1
191.14310	1.0
193.10110	2.5
193.12027	0.7
194.10863	1.3
195.11650	4.4
195.13560	1.1
196.12448	2.1
197.13257	4.9
199.11157	2.9
199.14845	1.5
201.12727	1.5
203.14302	17.9
205.12199	0.9
206.10921	0.8
207.11667	2.3
207.13762	5.5
208.12440	1.2
209.09724	0.6
209.13281	5.1
210.14055	1.0
211.11263	1.5
211.14818	6.6
213.12714	2.4
215.14284	2.0
217.12187	0.6
219.13852	0.7
221.15349	100.0
223.11247	1.0
223.14870	2.4
225.12735	2.2
225.16304	1.4
227.14307	1.3
229.12257	0.7
229.15839	2.2
230.12918	0.7
231.11696	0.8
231.13766	1.8
233.13213	1.3
233.15396	2.1
235.14786	1.1
235.16933	1.1
237.12746	1.2
237.16466	0.8
239.14328	1.1
239.17863	1.6
247.14603	0.9
247.16939	15.6
249.16261	1.1
251.14276	1.1
251.17810	0.7
253.15851	0.9
257.15402	0.7
263.17874	1.1
265.15628	0.7
269.18988	1.3
271.16946	1.1
273.18494	1.1
281.18982	2.7
285.18695	1.0
286.19125	0.9
287.20087	6.1
289.19681	0.8
299.20102	5.5
301.21466	2.1
303.20120	2.3
309.18472	0.9
311.20044	2.1
313.21628	1.9
325.21567	1.9
327.23172	2.3
365.24875	4.5
391.26315	10.4
413.26825	1.6
419.29486	3.0
427.28473	7.1
453.29980	1.7
507.34689	8.3
519.34473	3.2
539.29059	1.5
581.39789	2.8
599.40918	81.9
600.41394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.00294	0.9
55.05503	5.4
57.07063	4.3
59.04995	2.9
62.00108	1.0
64.30940	1.0
65.03921	1.9
67.05493	7.5
68.68654	0.9
69.03430	5.4
69.07072	7.1
69.48474	4.8
69.48910	4.4
70.50703	1.1
71.04987	2.2
75.69518	1.1
79.05483	11.2
81.03450	1.1
81.07050	10.4
83.04984	7.7
83.08627	5.1
85.06549	3.8
89.80588	1.1
91.05470	14.7
93.07035	18.7
95.04973	9.0
95.08606	10.5
97.06513	4.7
103.05438	1.6
105.07024	24.3
107.05001	1.3
107.08582	20.9
109.06481	6.7
109.10143	7.0
111.08071	1.7
113.09708	1.6
117.07004	5.3
119.08569	25.5
121.06499	5.9
121.10130	20.9
123.08067	8.9
123.11678	1.6
125.05945	1.6
125.09630	4.2
128.06227	4.1
129.06992	6.8
130.07774	1.3
131.08556	11.1
133.06490	3.3
133.10112	16.4
135.08011	8.5
135.11671	5.4
137.09618	6.2
139.07527	1.5
139.11168	1.8
141.06978	2.7
142.07787	8.4
143.08524	15.1
144.09303	5.6
145.10097	18.4
147.08054	11.0
147.11678	4.3
149.09587	8.0
151.07533	10.3
153.06967	2.2
153.09145	1.8
155.08525	6.4
156.09367	6.8
157.10118	20.8
158.10941	1.3
159.08075	6.3
159.11682	12.7
160.08905	1.4
161.09576	6.4
161.13275	3.3
163.11188	4.3
165.06953	2.1
165.09094	14.1
167.08524	3.6
167.10667	10.3
168.09367	3.0
169.10083	10.2
170.10919	2.7
171.08014	1.5
171.11679	11.3
173.09692	4.4
173.13220	6.5
174.10460	1.7
175.11165	5.2
175.14786	2.7
177.09065	1.7
177.12767	2.1
179.08540	3.5
180.09337	2.4
181.10123	6.0
181.12186	3.2
182.10913	4.0
183.11674	11.3
185.09581	2.3
185.13251	5.0
187.11209	4.9
187.14787	1.6
189.12689	5.5
191.14348	2.7
192.09340	1.4
193.10155	5.9
193.11914	1.3
194.10907	3.5
195.11676	7.2
195.13409	1.2
196.12486	1.2
197.13268	9.9
198.14178	1.2
199.11192	3.0
199.14838	3.1
201.12793	3.1
203.14278	6.2
205.10107	1.5
206.10896	3.1
207.11748	6.2
207.13837	5.9
208.12511	1.7
209.13286	5.7
209.15337	3.0
210.14217	1.2
211.11134	2.0
211.14813	3.3
213.12778	3.0
213.16292	1.5
215.14389	2.2
218.10849	1.5
219.11772	1.5
220.12486	2.0
221.13272	5.5
221.15300	30.2
223.11125	2.1
223.14830	4.4
225.12817	3.1
225.16338	2.6
227.14348	2.5
229.12271	2.1
231.11594	1.4
232.12511	1.3
233.13225	3.4
233.15318	19.6
235.14864	2.8
237.14722	2.1
245.13248	1.2
247.14691	2.6
247.17023	2.7
249.16428	2.3
251.14404	1.4
253.15938	1.6
253.19408	1.2
259.14722	2.6
261.16135	1.6
261.18802	1.4
263.17993	1.5
265.16022	1.5
269.19049	1.5
273.16248	2.0
281.19110	5.7
286.19296	2.0
287.20200	2.3
289.19415	1.7
293.19180	1.2
299.20276	2.7
329.22403	1.1
331.20560	1.3
359.23410	1.5
364.24097	2.2
365.25076	1.7
373.25159	2.0
391.26227	2.1
441.30057	2.6
489.33405	2.9
493.33032	2.1
507.34662	59.6
563.39117	1.6
581.39642	4.5
599.40906	100.0
600.41693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.191
Annotation	Hexaspermone A
Peak:m/z	Relative Intensity
53.03930	1.7
55.01866	1.1
65.03947	1.6
67.05489	2.0
68.99776	1.8
69.65568	5.6
77.03964	0.8
79.05488	10.3
81.03387	1.0
81.07059	2.5
82.17329	0.9
85.02889	1.1
90.46484	0.7
91.05477	5.0
94.04197	1.5
95.05013	4.3
95.05518	1.0
105.07017	1.5
107.04953	20.3
109.02854	1.8
109.06525	2.0
111.04385	0.9
111.08024	0.8
119.04916	1.8
121.02926	1.0
121.06488	1.3
123.04436	16.8
124.05209	14.4
125.05984	2.7
133.02893	1.0
133.10194	0.7
135.04413	1.0
137.02347	1.6
137.05957	2.0
138.03128	1.7
139.03871	1.3
139.07527	20.0
141.07005	0.9
145.27756	0.7
147.04387	6.6
151.03909	3.4
152.04688	10.1
152.06076	1.0
153.05455	4.2
160.05231	1.0
161.05957	1.5
162.03079	1.1
163.03920	2.2
165.07027	2.1
167.07037	46.6
168.05763	1.1
169.06544	1.2
171.04451	0.8
177.05470	3.0
179.07030	2.7
179.08496	1.3
181.04990	1.9
181.06512	1.5
184.05241	0.9
185.05931	1.2
191.07072	1.9
193.06546	1.1
196.05283	0.8
197.05981	3.5
199.07585	0.8
205.06561	1.6
207.08104	1.2
209.06007	1.0
210.06747	1.9
211.07574	4.5
213.05528	1.8
214.06206	1.2
219.08075	2.0
221.06047	4.2
222.06841	1.3
223.07535	1.5
224.04753	0.9
225.05428	1.7
227.06967	1.4
235.07545	2.9
237.05559	3.0
238.06201	3.3
239.07031	6.9
240.07887	1.1
241.05040	3.0
242.05640	1.1
246.06731	1.5
247.07568	3.0
249.05493	2.7
250.06189	1.7
251.07050	2.6
252.04048	1.2
253.04964	1.8
254.05702	1.2
255.06453	1.5
256.07132	0.9
261.05569	1.5
263.07181	2.6
264.07767	1.0
265.05060	2.1
266.05753	3.2
267.06500	9.5
268.07065	1.1
269.04681	1.8
269.08093	2.0
271.09802	1.6
274.06250	2.6
275.06891	3.9
275.09442	0.8
276.07791	1.0
277.04727	0.9
279.06509	1.7
280.07220	1.1
281.08075	2.4
283.06015	3.0
283.15134	1.7
284.06607	3.5
285.07574	2.4
286.08322	1.5
289.05090	1.5
289.08450	0.8
291.06546	6.3
292.07339	3.0
293.08044	1.8
294.05225	2.1
295.06024	1.4
297.07867	1.1
299.09140	30.5
300.09900	0.8
302.05692	1.3
303.06555	5.2
304.07376	2.0
305.04672	1.5
305.08090	1.2
306.05344	1.8
306.08646	0.9
307.05975	1.0
307.09769	1.3
309.07410	5.6
313.10889	6.6
316.07373	1.3
317.07840	1.2
319.06073	2.0
320.06781	5.0
321.07724	2.3
323.09424	1.0
327.06592	0.8
331.09872	1.4
333.07800	1.1
335.09109	9.3
336.09906	2.9
339.17850	1.0
341.08167	1.5
343.09592	1.0
349.10916	1.0
349.88202	0.9
350.11520	2.4
353.08090	1.4
354.09036	1.2
356.06555	1.3
357.11249	0.9
359.09177	1.4
367.09604	1.1
369.07285	1.5
370.08145	1.7
371.09317	1.9
381.07523	1.8
382.08127	1.3
385.10974	1.6
387.08530	1.5
394.08328	0.8
395.09274	0.9
398.07819	1.0
399.08572	2.5
400.09515	1.1
403.11932	1.0
412.09583	0.9
413.10281	2.4
414.11160	2.1
415.07764	1.9
416.09219	1.3
419.11115	5.5
427.07895	2.0
429.13922	0.9
430.10440	1.6
431.11465	3.2
433.12634	1.7
441.09647	1.7
443.11255	2.4
444.08170	1.1
445.12912	24.8
450.33838	1.1
457.12909	6.7
458.13486	1.8
459.10544	4.6
461.16025	1.8
473.12460	1.8
474.13171	2.9
475.13733	1.1
489.15457	100.0
490.15854	3.5
568.17267	1.3
581.14276	2.8
599.18390	36.1
599.33539	12.0
600.17126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05493	1.4
55.98124	1.0
56.96562	1.1
57.03407	1.5
57.18072	1.2
63.46320	1.2
67.05499	2.0
68.91978	1.0
68.99810	3.2
69.03431	10.4
69.07047	2.4
71.60712	1.8
73.02912	1.4
77.23806	1.1
78.36378	1.0
79.05505	3.1
81.03409	1.7
81.07037	3.8
85.02931	3.1
90.94721	1.1
91.05473	4.1
93.07047	2.1
95.04939	2.1
95.08613	1.4
97.02859	2.1
103.05474	1.8
105.07036	5.9
107.04954	3.1
107.08624	1.8
109.02882	1.8
109.10164	1.9
110.22342	1.1
115.05453	3.1
117.07014	1.7
119.04944	2.9
119.08640	1.6
121.02876	2.4
121.10116	1.8
123.04440	2.9
125.02357	1.8
125.06017	1.5
127.04005	1.4
129.07007	2.5
131.04944	4.4
131.08521	2.9
132.05681	1.9
133.06477	2.1
133.10187	1.8
135.04356	2.0
137.02336	1.2
137.05994	8.5
139.03940	2.1
141.06985	1.4
143.08559	1.9
145.06506	2.9
145.10078	1.5
147.04382	2.8
147.08095	1.1
147.11690	2.3
149.09677	1.4
151.03944	3.1
153.75769	1.1
155.08568	3.3
157.06525	1.7
158.10773	1.0
159.04448	2.6
159.08041	2.0
160.05176	4.1
161.05957	5.8
161.09666	1.6
163.03931	2.8
165.06972	1.6
165.09196	1.5
167.07043	10.7
167.08369	2.4
168.05789	1.6
169.06468	2.4
171.04370	2.1
171.08083	2.5
173.05998	2.6
175.03929	3.1
175.07565	1.7
177.05482	4.1
179.07008	1.3
181.05042	2.4
181.06523	1.9
183.08055	4.6
185.05989	1.3
187.03928	4.2
187.07547	4.4
188.04704	40.7
189.05452	18.4
189.07022	1.8
190.06122	1.7
191.07024	1.6
195.08061	2.5
197.05902	2.8
199.03918	8.1
199.07393	2.2
200.04718	2.7
201.05499	4.9
201.09140	2.4
203.03239	1.8
203.06943	1.4
210.11571	2.8
211.04012	1.1
211.07545	6.6
213.05458	6.1
213.09135	2.1
214.06311	1.9
215.03401	14.8
215.07040	5.3
216.04105	13.3
217.01476	1.5
217.04926	16.7
218.05673	1.1
221.06000	2.4
223.07552	2.7
225.05504	3.4
225.13882	3.4
227.03387	4.6
227.07056	1.9
228.04086	1.8
229.05008	4.7
229.08536	20.6
229.10606	1.8
230.02322	1.2
232.03766	3.8
234.06786	1.5
235.07591	1.8
237.05400	1.7
239.03421	1.4
239.07098	10.0
239.15445	5.9
240.16292	3.6
241.04973	3.9
241.08716	1.8
243.02893	7.9
243.06642	3.6
244.03658	61.8
245.04427	42.0
246.05295	2.9
249.11214	1.9
250.06277	1.3
251.07248	2.0
253.04939	2.9
253.08566	5.8
257.04474	3.3
257.08136	19.2
258.08768	2.8
259.09653	1.6
265.08713	2.0
267.06491	6.2
269.04437	22.2
269.07727	2.1
272.06818	1.3
274.04727	6.6
281.04492	1.2
281.07956	5.5
285.07544	94.7
286.08334	4.0
287.09100	11.5
305.08282	1.9
309.07553	4.3
313.07007	1.8
315.08777	2.3
315.13403	3.2
321.07663	2.5
333.07684	1.6
339.12234	1.7
351.08804	1.7
367.07999	1.4
371.14755	1.4
391.13589	1.6
397.07184	1.3
419.12686	1.7
425.06226	1.8
433.15179	1.3
447.12415	4.3
461.14032	1.7
465.13492	3.0
466.09940	1.7
471.12564	1.8
477.10895	1.5
489.13284	4.4
493.12793	3.9
494.09979	1.9
507.14197	5.6
511.10846	1.4
512.10742	2.7
517.12695	6.6
522.09888	2.0
531.12958	4.3
535.13751	6.6
540.10187	2.9
543.16687	4.2
545.12189	2.1
553.15472	5.7
553.22296	1.3
558.11359	26.6
563.13556	3.0
571.15918	4.0
581.14325	7.6
599.15448	100.0
599.26306	5.0
599.28070	5.0
600.15527	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99766	1.2
71.04048	1.0
79.05492	0.8
81.07063	1.0
92.40906	0.6
95.08608	0.9
96.05316	0.7
105.03410	0.7
105.06928	1.2
107.04955	1.8
117.06893	0.7
118.04162	1.5
123.04414	1.8
128.06282	1.1
131.01294	0.7
133.10042	1.2
137.02325	1.9
137.05902	0.8
138.03069	2.0
143.19186	0.7
145.02826	1.4
147.04425	2.3
149.02362	3.6
151.03960	1.0
157.06439	1.3
161.02342	3.0
163.03906	1.3
173.02296	1.0
174.12643	0.8
181.06514	1.9
183.04295	0.7
184.05116	1.9
185.05991	2.2
191.03511	1.3
195.04388	2.6
197.05934	2.4
199.07625	1.0
200.04645	1.0
210.06773	1.3
211.03957	1.0
211.07494	2.1
212.04663	4.1
213.05452	4.8
215.07004	1.3
221.15259	0.8
223.03961	1.1
227.07053	3.4
228.04228	5.7
229.04904	1.7
230.05646	0.8
237.05380	1.6
238.06247	2.2
239.03404	4.5
239.07103	2.2
240.04265	1.0
241.04976	9.9
243.06537	4.0
245.08069	19.4
253.04909	1.1
255.06529	1.1
256.03625	1.3
256.07300	2.3
257.04449	0.9
265.05154	0.9
266.05844	2.2
267.02878	45.7
267.06308	2.6
268.03616	1.1
269.04529	4.4
271.06024	5.4
271.08606	0.8
273.07608	19.9
281.04535	1.9
283.06021	2.2
283.09039	0.8
284.03586	1.3
284.06796	6.4
294.05164	2.4
297.03796	2.5
299.05518	57.9
299.08957	4.0
312.06250	5.7
327.08615	100.0
380.69382	0.7
463.85577	0.7
581.14301	2.3
599.15454	18.9
622.04926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05502	1.1
57.03428	1.7
61.02914	2.6
62.22768	0.6
63.24556	0.7
67.05499	1.1
68.99763	1.3
69.03421	6.5
69.07059	1.3
70.25171	0.7
70.30943	3.3
71.04968	1.2
73.02901	1.1
79.05493	1.8
81.03412	2.5
81.07045	2.1
85.02898	16.2
90.60485	0.8
91.03941	1.1
91.05473	1.7
93.07046	1.6
95.04953	1.3
95.08606	2.4
97.02872	6.0
101.86842	0.7
103.48129	0.8
105.07018	2.0
106.01896	0.8
107.04948	1.1
107.08595	2.0
108.78471	0.7
109.02863	2.4
109.10155	0.9
113.14896	0.7
115.05426	1.0
115.85820	0.6
117.06993	1.0
119.08561	2.3
121.10085	0.9
123.04427	2.7
123.11651	0.8
125.09662	0.8
127.03905	2.7
128.06204	0.9
129.07037	0.9
131.04938	1.0
131.08638	1.4
133.10135	0.9
135.08115	0.9
135.11732	0.9
137.05971	3.7
141.07028	1.0
143.04938	2.0
145.04961	2.7
145.06491	0.8
147.04404	1.3
147.11810	0.7
149.05983	1.3
151.03885	1.1
153.01808	11.3
161.06035	1.5
163.03934	1.1
165.01913	1.1
167.07018	5.2
169.06485	1.4
171.04372	1.7
173.05925	0.8
177.05415	1.0
177.09047	0.9
179.03389	10.5
179.07024	1.1
181.04959	0.7
183.02832	1.1
183.08057	0.8
185.06020	3.0
187.07573	1.7
188.04735	0.8
191.03337	0.7
195.02898	1.9
196.69572	0.9
197.05957	1.9
199.03883	4.3
199.07610	1.0
201.05455	2.7
205.04951	1.7
207.02864	8.7
209.06097	1.1
209.08087	0.9
211.07645	0.8
213.05386	3.8
215.07047	2.1
217.04971	3.0
221.04460	2.0
223.07512	0.7
225.05534	0.9
229.04976	2.5
233.04422	1.6
237.05478	1.9
241.04985	0.8
243.06535	2.7
244.03673	1.2
251.07066	1.0
257.08170	2.9
265.04947	0.8
269.04395	0.9
277.08569	0.9
283.05972	0.7
285.07565	2.3
287.09296	0.9
303.06525	0.8
315.05154	1.0
317.08026	1.5
335.09064	1.3
344.06094	0.7
345.07712	2.4
363.08563	4.0
368.05280	3.0
371.14999	0.9
373.07022	2.2
376.05621	2.6
379.04312	0.8
391.08099	14.1
409.09213	2.4
419.07617	7.0
425.15335	0.7
437.08630	100.0
438.08850	2.0
451.02802	0.9
599.15179	2.8
599.23230	1.2
599.28571	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	599.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11975	0.4
54.42117	0.4
55.01872	0.9
55.05491	0.7
56.61673	0.5
56.84204	0.5
56.96552	0.7
57.03431	0.7
61.02919	10.0
62.09552	0.6
67.05487	0.9
68.99778	1.5
69.03427	3.2
69.07062	0.9
69.62885	3.9
71.04984	0.8
73.02904	2.7
79.05488	1.4
81.03408	1.5
81.07038	2.3
83.08598	0.6
85.02418	0.8
85.02898	11.1
85.03368	0.5
86.09701	7.7
87.09996	0.5
91.03942	5.7
91.05479	2.2
93.07029	1.1
95.04939	1.4
95.08587	1.5
97.02892	6.0
97.06526	0.5
98.09662	1.3
99.04427	0.6
104.02429	0.6
105.06997	1.6
107.04935	1.0
107.08583	2.2
109.02886	1.1
109.06556	0.7
109.10144	1.4
112.99168	0.5
115.03989	0.7
115.05467	0.9
119.04924	1.0
119.08570	1.4
121.02852	1.4
121.06565	0.7
121.10130	1.6
123.04440	2.8
123.08073	0.5
123.11652	0.5
127.03911	2.5
127.04893	0.5
131.04897	0.7
131.08533	0.5
133.10150	0.9
135.11652	0.7
137.05928	2.7
141.06975	1.5
143.04884	1.1
143.11803	1.4
145.04890	1.2
145.06467	1.0
147.04384	0.9
151.03894	1.9
151.07527	0.8
152.06366	0.5
153.01819	14.0
153.05443	0.8
155.05003	0.5
155.08522	0.6
157.06421	0.8
159.08032	0.7
161.06003	1.3
163.03928	1.2
165.07005	0.6
167.07047	4.9
169.06429	1.7
171.04405	1.3
171.08047	0.6
171.11360	0.9
173.05995	0.7
173.13235	0.8
175.03897	1.0
177.05479	1.4
177.16435	0.5
178.04944	0.7
179.03374	12.1
179.04912	1.0
179.06952	1.0
181.05022	0.8
181.06537	1.1
181.08659	0.5
184.05128	0.6
185.05962	3.5
187.03978	0.7
187.07509	0.9
188.04607	1.0
189.05466	1.4
191.03384	0.9
193.06532	0.8
195.02847	3.7
197.05923	2.8
199.03877	4.7
200.04507	0.7
201.05440	3.1
205.04971	1.5
206.04567	0.8
207.02893	8.2
207.04759	1.0
207.06557	2.2
209.06107	1.2
211.07523	1.1
211.17990	1.1
213.05417	3.9
215.03378	1.1
215.06967	2.5
216.07748	0.6
217.04944	2.1
221.04366	3.7
221.15480	0.6
225.05376	0.7
227.07007	1.6
229.04964	2.1
230.05672	0.6
231.06459	0.7
233.04393	1.3
235.02397	0.9
237.05524	1.2
239.01982	0.6
239.06987	1.0
239.15457	1.2
239.17599	0.7
241.04614	0.6
243.06567	2.3
245.04482	1.0
245.08192	0.5
247.16888	0.6
251.07112	1.1
252.13412	0.6
255.06477	0.8
257.08154	2.6
265.04868	0.8
266.05722	0.6
267.06555	1.3
269.04443	1.0
279.06570	1.0
283.06055	1.2
285.07513	1.9
285.10886	0.6
289.08582	0.9
294.05157	0.9
307.06091	0.6
309.07748	0.9
315.13544	0.6
317.07971	1.2
330.11615	0.9
335.08957	1.2
340.06006	0.8
345.07532	2.6
348.06250	0.9
350.04242	1.2
351.04883	0.7
355.05893	0.6
363.05148	0.9
363.08704	3.6
368.05246	3.1
373.06955	2.1
376.05630	3.1
379.04443	1.0
390.92603	0.6
391.08124	14.4
395.08057	0.8
401.06317	1.1
409.09238	2.7
419.07660	6.7
437.08649	100.0
438.08978	2.6
485.26920	0.9
553.35254	0.6
571.36230	0.7
580.34491	0.8
581.35040	1.4
599.14844	1.5
599.21759	1.0
599.28809	1.6
618.30145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01856	1.8
57.03415	1.5
59.67757	0.8
59.92876	0.9
60.04526	1.3
61.02908	1.3
61.23290	0.8
62.06062	0.9
69.03413	3.0
70.98396	2.0
70.99004	0.9
73.13400	0.9
73.40866	0.8
79.05485	3.3
80.35529	0.8
81.03413	13.3
81.07081	1.4
85.02901	12.4
91.03922	1.0
91.05463	2.2
95.04956	3.4
97.02879	2.5
98.96786	0.8
99.04439	1.2
103.05443	2.9
105.07044	1.0
107.04948	8.9
109.02847	1.7
115.05454	3.5
117.07008	14.5
123.04397	3.4
124.05183	1.6
127.03906	3.9
129.07008	1.9
131.04895	1.3
131.08542	3.1
133.06502	2.1
137.05943	1.7
141.06989	2.0
144.05692	2.5
145.05199	1.9
145.06476	35.0
147.08061	1.2
153.05412	1.4
153.12718	3.4
155.05997	3.6
155.07098	1.2
156.05690	7.8
157.06429	2.1
159.08057	7.2
161.05951	4.1
167.07039	50.4
169.06381	1.3
172.05211	0.9
173.05978	64.9
173.42963	1.1
175.03833	2.0
175.07536	1.8
177.05525	1.0
180.08687	4.5
180.28471	0.8
183.06409	0.9
184.05186	1.6
184.41356	0.9
187.07562	7.9
190.06238	33.6
191.07011	3.1
193.08565	2.1
202.06171	2.8
202.07791	1.1
203.07050	5.8
204.07666	1.5
205.08598	100.0
207.06465	2.2
208.05347	1.2
209.07976	1.2
217.08598	43.1
219.08229	1.3
219.10112	4.4
223.09663	2.7
229.08707	1.1
235.09645	31.8
247.07430	1.3
247.09648	7.2
248.08495	1.3
263.10840	1.1
265.10712	40.9
271.05969	2.9
271.09720	3.2
272.06329	1.5
276.08020	1.4
287.05429	1.9
288.05804	2.9
289.06055	2.9
290.06351	2.0
291.10098	1.4
307.09619	0.9
307.67932	1.0
311.12735	1.0
315.08572	5.5
323.12781	1.8
324.09726	1.0
330.10843	6.1
331.11646	2.3
337.10703	1.0
339.12231	1.4
351.12204	3.8
352.13077	1.1
353.10324	1.1
371.14825	2.6
383.14847	12.2
401.16006	12.3
409.78680	1.1
598.22809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3031
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03938	0.8
55.05507	10.8
57.03433	5.4
57.07051	2.2
65.03928	0.7
67.05500	25.0
69.06689	0.7
69.07058	12.7
69.55080	6.8
71.04987	0.8
77.40096	0.7
79.05485	6.1
79.53783	0.8
80.26717	0.7
81.03419	2.9
81.06573	1.4
81.07050	25.2
83.08612	7.0
85.02904	1.1
91.05462	5.4
93.07039	7.2
95.04971	1.0
95.08597	15.6
97.06517	1.7
97.09585	0.8
97.10165	3.2
98.21466	1.7
98.98456	9.9
105.07002	3.8
106.81515	0.8
107.08576	4.7
109.02853	2.8
109.10152	7.2
119.08589	2.2
120.39318	0.7
121.10130	3.4
123.08093	1.1
123.11708	2.6
131.08557	0.8
133.10150	2.7
135.11668	1.8
145.10042	0.9
147.11687	1.2
149.13260	0.9
155.01047	1.1
161.13206	1.3
163.06000	1.0
245.22687	1.0
261.03766	2.6
263.23718	2.3
301.20157	2.0
335.07425	1.4
337.27341	100.0
475.04184	0.7
561.57465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1811
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01873	4.9
56.12751	3.0
57.03431	6.0
67.05506	3.1
69.03429	6.2
69.69398	17.1
73.02906	4.2
81.03423	8.4
85.02888	26.6
91.05482	5.0
93.03395	10.3
95.04947	8.3
97.02892	10.3
105.03357	3.8
105.07020	3.8
107.04945	19.4
109.02854	15.2
109.06532	4.8
111.04473	5.0
117.07044	2.7
119.04934	8.4
121.02844	19.0
121.06525	6.7
123.04412	9.9
127.03891	2.7
131.04926	6.7
133.02872	4.1
133.06494	4.1
135.04372	21.7
137.05949	3.6
139.03876	4.5
145.06451	7.6
147.04381	22.2
149.02327	6.5
149.05952	5.4
151.03911	8.8
153.01852	3.6
159.04427	10.0
161.02382	2.9
161.05890	5.3
163.03883	10.1
165.01837	10.0
167.10455	2.8
169.06537	2.9
171.04382	3.7
173.02324	4.1
173.06010	10.7
175.00294	4.6
175.03903	5.7
177.01817	15.9
177.05463	9.6
183.02917	7.3
185.05984	3.1
187.03897	10.0
189.01825	23.3
189.05435	4.1
191.03386	16.3
195.02879	41.9
201.01772	5.2
201.05504	11.3
203.03368	11.8
205.01288	5.7
205.04858	4.9
207.02859	42.7
213.05333	3.2
215.03398	12.5
217.01265	3.7
217.04919	3.5
219.02863	90.5
221.04460	9.3
223.02324	15.4
225.03836	29.3
227.03491	6.2
229.04980	16.2
231.02878	50.1
233.04443	21.6
237.03883	23.3
241.04994	3.4
243.02867	29.6
243.06566	3.5
245.04498	9.4
247.06039	7.5
249.03868	23.4
253.05003	3.9
255.02869	7.1
257.04434	16.2
259.02328	5.7
261.03909	100.0
267.02731	4.1
269.04391	6.9
271.06097	5.9
273.03891	43.2
275.05518	4.1
279.04984	4.6
281.04456	4.1
285.03961	47.8
285.07172	3.4
287.05396	3.8
291.04990	29.4
295.05991	3.5
297.03885	18.8
297.07520	16.4
299.05457	9.6
303.04987	34.1
306.09860	3.0
309.07214	10.2
311.05417	3.5
315.04889	10.9
321.05991	15.5
325.06992	4.3
327.04935	45.1
327.08600	21.9
339.08444	32.0
345.06024	11.9
351.08676	15.1
357.05887	7.8
357.09818	5.1
363.07083	32.3
369.05978	9.5
375.07089	5.1
381.09705	33.5
387.07236	9.7
393.09671	33.8
405.08392	34.3
409.08762	4.0
411.10794	14.9
417.09689	5.5
423.10065	25.8
429.11765	30.1
441.11060	36.6
447.10663	25.4
448.11493	3.0
459.12994	32.7
465.11826	6.8
477.12143	6.5
483.12665	19.3
495.12695	12.3
507.12634	9.0
513.12610	2.9
525.13477	15.6
543.14886	16.6
597.23468	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	597.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.6
69.89909	0.5
70.04242	0.9
70.04649	1.9
71.81703	0.4
79.05499	1.0
81.07091	0.6
85.02927	0.4
91.05503	1.4
93.07076	0.6
95.04945	0.5
96.38426	0.4
98.21412	0.5
105.07027	0.9
105.81074	0.4
107.04945	0.9
119.04972	0.7
123.04456	1.3
124.05247	0.5
133.02875	1.0
133.10098	0.8
137.02344	1.6
139.07507	1.0
147.04414	1.7
149.02348	0.5
151.03876	1.2
163.03947	1.1
167.07047	1.7
177.05492	1.1
197.06059	0.8
210.06708	0.7
221.05910	0.7
228.99287	0.5
237.05423	0.6
241.05058	0.5
251.07071	0.6
253.04988	1.1
265.05084	0.5
266.05688	1.3
267.06573	0.9
268.03729	0.6
268.07422	0.5
269.04407	0.5
271.06024	0.8
279.06604	0.7
282.05215	0.5
283.05887	1.1
284.06830	1.0
286.08496	0.6
297.07446	1.0
299.09109	2.4
303.06631	0.6
311.09314	1.0
312.09970	1.0
313.08325	1.0
329.08154	1.6
341.08157	1.0
342.08957	0.7
343.09680	1.1
353.08066	1.2
354.09000	1.0
357.07660	1.0
369.07886	0.9
370.08371	0.5
371.09225	1.5
381.07632	1.0
382.08441	2.0
383.09219	1.1
385.06873	2.2
386.07983	0.7
387.08755	2.3
389.09787	0.5
399.08740	1.8
400.09735	0.6
409.07208	1.2
410.07651	2.7
411.08655	1.9
413.06506	1.6
415.08289	1.0
416.09021	1.2
419.11407	1.5
427.08115	7.0
428.08871	6.1
429.09747	1.4
431.11224	2.8
440.09006	0.7
443.11298	16.9
444.11945	0.8
457.09082	0.8
459.10413	0.6
473.12292	1.3
487.13895	0.6
521.12354	0.7
523.10840	0.5
539.13513	1.6
549.11792	1.0
550.12598	0.5
551.13312	1.0
552.10419	0.6
565.14862	0.8
567.12769	5.1
581.14545	1.4
582.15100	1.8
597.17535	100.0
598.17407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05499	0.7
55.45232	0.5
67.05503	0.8
67.75112	0.4
68.72921	0.4
68.99785	1.1
69.03415	0.9
69.07073	0.7
70.81271	1.6
79.05492	0.8
81.03391	0.5
81.07059	0.9
85.02927	1.0
91.05477	1.6
95.04967	0.6
95.08617	1.1
103.05516	0.5
105.07024	0.7
107.04967	0.8
107.08611	0.7
109.06519	0.6
119.04896	0.7
119.08574	0.7
123.04460	1.6
130.54631	0.4
131.04924	1.3
131.08524	0.5
133.02812	2.3
133.10080	0.7
137.02361	1.8
137.06015	1.0
145.10150	0.5
147.04387	2.5
149.02377	1.4
149.05968	0.9
151.03879	2.2
153.01822	0.6
153.05515	0.9
159.04419	0.6
161.05962	0.6
162.03171	1.2
163.03902	1.5
164.04655	0.6
167.07063	1.8
169.06508	0.8
173.06020	0.5
175.03961	0.6
177.05438	2.7
181.05038	0.8
181.06509	0.8
184.05302	0.5
193.12289	0.6
197.06055	0.7
205.06468	0.6
209.06134	1.1
211.07541	0.7
213.05479	0.9
219.10143	0.5
221.05910	0.7
223.07590	1.1
225.05513	1.0
237.05470	2.0
239.07201	0.6
243.06493	1.1
249.05424	0.5
250.06337	0.9
251.07115	1.1
253.05043	2.2
255.06570	1.3
266.05817	1.3
267.06512	2.3
269.04529	1.0
269.07968	0.9
271.06119	2.0
275.06790	0.6
278.05804	0.7
279.06577	0.7
281.04608	0.9
282.05374	0.6
283.06125	2.0
284.06833	1.1
286.08502	1.2
295.05972	0.6
297.07797	0.5
299.09308	1.5
303.06400	0.5
307.05966	0.6
311.09305	2.8
312.09967	2.2
313.07068	1.1
321.07755	0.6
323.09201	0.5
325.08859	0.6
329.08066	1.5
336.10028	1.0
337.08743	1.0
341.08386	0.7
343.08517	0.7
353.08145	1.1
354.09109	0.5
357.07544	1.0
359.08704	0.8
369.07895	0.9
370.08099	0.8
371.09213	0.7
381.07867	0.8
382.08368	1.2
383.09152	0.6
385.07166	1.0
387.08936	0.7
399.08640	0.9
407.09525	0.5
408.04767	0.7
410.08029	2.0
411.08704	1.8
413.06570	1.0
416.08850	0.9
417.09921	0.8
423.08295	0.5
427.07880	2.7
428.08884	3.7
429.10120	1.1
431.11578	1.1
442.10461	0.9
443.11493	1.6
453.09891	0.7
457.12909	0.8
459.10489	0.9
465.09851	0.6
475.07980	0.6
509.08600	0.6
511.14639	0.7
532.11670	0.7
534.09332	0.8
535.10760	0.8
539.13666	1.6
549.12103	1.7
550.12366	0.7
551.13141	0.8
552.11060	0.7
564.14392	0.6
565.15222	1.0
567.12732	4.8
569.17499	0.7
579.13000	2.2
581.14429	3.0
582.15167	3.1
597.17554	100.0
598.18060	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	597.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16360	0.9
67.05523	0.9
67.54063	0.8
70.78934	1.1
70.79260	2.4
81.07032	1.0
90.68635	0.9
91.05475	1.4
107.04978	1.9
123.04446	1.6
131.04953	1.2
133.02861	1.5
137.06009	1.7
146.75676	0.9
147.04498	1.5
151.03938	1.1
152.04744	0.9
167.07089	1.3
167.45465	1.0
185.59875	0.9
197.06030	1.6
210.38412	0.9
219.75159	0.8
264.27762	0.9
268.03680	1.0
283.06088	2.2
284.06876	0.9
293.08258	1.0
299.09283	2.6
311.09299	1.7
329.08057	1.4
385.07101	1.2
398.08017	1.0
427.08313	2.2
428.08850	1.6
431.11551	1.6
443.11295	4.7
467.10788	1.2
481.09479	2.0
535.10236	1.4
539.13397	3.5
549.11920	2.1
563.13928	1.0
564.14264	1.2
565.14923	3.4
567.12885	9.8
578.63422	1.1
581.14508	3.0
582.15283	2.7
597.17572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01852	0.8
55.05514	6.7
57.03432	7.6
67.05506	28.4
67.05873	1.4
69.07072	5.3
71.04974	1.3
72.54139	0.7
79.05492	14.1
81.03419	3.9
81.07054	26.1
83.04981	1.0
83.08611	3.1
85.02901	1.1
85.06548	0.8
91.05462	7.8
93.07049	15.7
95.04978	1.7
95.08610	20.3
97.06560	1.2
97.10174	1.8
98.98462	12.5
105.07040	4.9
107.08599	7.9
109.02875	3.9
109.10150	8.0
110.87602	0.7
117.06994	1.1
119.03959	0.7
119.08574	3.8
121.10136	7.6
123.11697	3.6
127.03916	1.1
131.08533	3.9
133.10117	2.3
135.11694	3.5
145.10159	0.9
147.11694	1.9
149.13254	2.6
155.00977	1.5
159.11667	0.9
161.13272	1.3
163.06111	1.1
173.13177	0.9
229.71060	1.1
243.21214	0.9
261.03656	4.3
261.22089	3.1
287.05463	4.0
304.26337	3.4
317.06564	1.0
317.24573	1.6
321.70935	0.8
335.07455	2.3
335.25793	100.0
336.26343	1.9
358.16257	1.7
358.66342	1.1
548.72369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.10624	0.1
57.03412	0.5
68.32606	0.1
68.99811	0.2
69.03427	0.1
69.55194	0.2
70.10384	0.3
70.10789	0.4
71.04991	1.8
73.02908	0.2
75.04472	0.2
83.04974	0.3
85.02896	3.2
91.05475	0.4
95.01328	0.2
95.33727	0.2
97.02892	0.2
111.04464	0.2
119.04920	1.4
121.02866	1.0
123.00783	1.6
125.10952	0.1
129.05492	1.1
135.47005	0.1
141.01804	0.4
145.02768	0.2
147.06500	0.2
153.01834	0.8
157.06456	0.2
157.46715	0.1
165.01744	0.1
169.01311	1.5
183.02892	0.2
187.02437	0.1
204.36992	0.2
231.06529	0.2
241.04971	0.7
245.04424	0.3
259.06091	1.0
269.04398	1.3
270.05423	0.2
271.06039	1.1
286.04822	0.3
287.05472	100.0
288.05859	1.4
299.05350	0.2
301.07043	0.5
329.06229	0.2
449.10736	1.6
467.16937	0.1
595.15961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
57.03397	0.6
60.09943	0.4
61.99752	0.4
68.99756	0.4
70.98940	1.2
71.04930	1.6
79.01816	0.9
81.03371	0.7
85.02906	3.1
94.53279	0.5
109.02816	0.5
121.02837	1.1
127.03877	0.6
135.04362	0.8
137.02327	7.3
137.03291	0.9
161.02292	0.9
165.01884	2.0
167.03427	0.5
171.02840	0.5
177.01733	0.8
179.03270	0.8
183.02837	1.2
187.03772	0.5
191.03340	0.8
195.02740	0.6
203.03293	0.6
205.04913	0.7
217.04970	2.9
227.06851	0.5
229.04955	1.5
233.04337	0.5
243.02821	1.7
243.06375	0.6
256.07428	0.5
259.05942	2.0
261.03851	2.5
271.06021	2.5
272.06815	3.8
283.05911	3.5
284.06729	2.2
286.04855	0.5
287.05450	6.2
295.06039	1.4
297.07425	0.7
299.05475	43.0
300.06247	23.6
300.09778	0.7
301.06992	1.6
309.07452	0.7
311.05515	10.7
313.07031	13.5
321.07468	0.5
323.05438	0.8
323.09055	1.1
324.06226	2.0
325.07037	4.1
327.04904	2.1
329.06512	66.9
330.06876	1.3
332.05457	0.6
337.07159	1.9
339.04941	1.8
339.08585	12.0
341.06470	3.4
343.08194	1.5
349.07071	0.6
351.08841	0.7
353.06531	16.4
359.07584	5.2
365.06537	1.2
367.08118	6.0
371.07565	1.7
377.06549	0.7
379.07977	1.0
383.07602	7.4
391.08008	0.5
395.07526	6.9
397.08917	1.0
413.08640	17.6
415.10291	1.6
431.09683	18.1
433.11313	8.3
449.10760	100.0
450.11197	1.6
457.11102	0.7
466.59265	0.5
475.12204	0.7
485.11511	0.5
541.13129	1.0
559.14905	0.6
577.14954	0.5
595.16510	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	595.1652
Annotation	Kaempferol 7-rhamnoside-4'-glucoside
Peak:m/z	Relative Intensity
55.01869	1.3
57.03429	2.5
61.02921	1.9
65.03932	1.2
69.51785	0.9
69.52048	1.3
69.52453	5.3
73.02908	1.0
78.70621	0.8
81.03407	1.7
85.02899	6.2
91.05495	0.9
93.03403	1.5
97.02883	1.5
98.21450	1.4
103.03952	2.3
107.04951	2.1
107.93446	0.7
109.02882	2.1
111.04395	1.2
119.04921	6.6
121.01985	1.7
121.02856	33.1
122.90234	0.9
129.80980	0.8
133.06454	1.0
145.02858	3.8
145.06483	0.9
147.04401	1.3
158.14119	0.8
161.01048	0.8
161.02321	1.4
163.03905	1.5
173.02399	1.0
175.03856	1.2
177.01877	1.5
177.05424	1.1
179.03426	2.0
181.04919	1.0
183.04391	1.1
185.05829	0.8
187.03838	1.7
189.01801	5.9
191.03386	4.9
193.05020	0.9
195.02895	6.6
197.04466	1.1
201.01872	1.9
203.03365	9.1
205.04955	2.0
207.02899	9.0
215.03358	1.8
217.04945	4.9
219.02942	5.8
219.06538	1.9
221.04454	3.3
225.03835	2.0
227.03406	1.2
229.04919	4.2
231.02864	1.5
233.04372	2.9
239.03328	1.4
241.04912	1.1
243.02858	1.6
243.06538	1.2
245.04424	1.8
247.05983	1.4
251.07092	1.0
255.02930	3.4
255.06506	1.0
257.04352	2.8
261.04050	1.2
263.07001	1.3
267.06580	2.3
268.07352	3.2
269.08044	1.5
273.03973	1.1
279.06473	4.6
280.07294	2.2
281.04886	1.4
281.08093	5.2
283.06000	6.6
284.06763	1.5
285.03925	2.4
291.06418	1.3
292.07373	1.2
293.08096	4.0
294.05246	19.3
294.08646	1.9
295.05975	75.8
296.06702	7.5
297.07532	10.4
304.07349	1.4
305.08047	1.8
307.05975	45.4
308.06757	16.1
309.04050	1.9
309.07507	13.0
313.06998	5.6
317.08139	1.7
318.08868	1.4
319.05957	6.0
319.09375	1.6
320.06769	3.3
321.03787	1.4
321.07556	26.8
322.08304	11.7
323.05362	2.3
323.08984	3.2
325.07034	85.0
326.07404	2.0
329.07779	1.5
332.06821	1.1
333.07483	7.7
334.08377	1.5
335.05423	2.1
335.09113	12.7
336.06299	2.7
336.09955	1.1
337.07028	51.6
337.10364	1.9
338.07431	2.3
339.08649	2.0
345.07571	3.0
346.08258	2.4
347.05222	1.7
347.09070	12.3
349.07059	30.8
349.11044	1.2
350.07907	1.3
351.08606	21.2
355.08109	17.9
357.07541	2.4
360.05853	1.2
361.07010	14.5
361.10928	1.5
363.08560	6.6
365.10165	9.5
367.08041	5.5
373.02835	1.1
373.06885	5.6
374.07840	1.6
375.08588	10.9
379.08093	49.8
380.08417	1.1
385.07153	3.1
387.08597	2.2
389.10217	2.5
391.08084	26.1
392.08640	0.9
393.09244	1.5
399.08624	1.4
401.10245	3.0
403.08044	20.7
403.12836	1.6
409.09143	41.5
410.09479	1.7
413.09958	1.0
415.08539	3.1
417.09354	2.8
421.09143	21.8
422.09479	1.2
427.10257	39.4
429.09485	1.5
431.11105	1.3
433.09003	4.0
439.10229	27.0
440.10464	1.4
441.09714	1.1
445.10413	7.2
451.10065	1.1
457.11267	100.0
458.11563	3.6
463.10410	5.0
469.09686	1.2
475.12326	22.2
481.11285	23.9
487.09897	3.1
488.81400	0.9
493.11243	3.2
499.12296	22.4
505.11252	7.2
511.12250	28.6
523.12372	23.2
529.05975	1.3
529.13477	12.4
541.13318	30.2
559.05853	1.6
559.14417	27.7
560.14392	1.4
577.15503	16.4
578.14923	1.0
595.16608	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03934	0.2
55.01849	0.1
55.05503	0.1
57.00975	0.1
57.03429	1.4
61.02913	0.4
67.01846	0.1
68.99794	0.2
69.03127	0.1
69.03426	0.8
69.32190	0.1
69.91470	0.5
71.01318	0.1
71.04987	7.6
73.02880	0.3
75.04462	0.4
75.40982	0.1
81.03400	0.4
83.04967	0.4
85.02898	11.7
87.04449	0.3
91.03941	0.2
97.02888	1.0
98.20847	0.1
99.04440	0.2
107.04944	0.2
109.02867	0.3
111.00776	0.3
111.04429	0.3
115.03934	0.1
119.04933	0.4
121.02863	1.2
123.00778	0.1
123.76807	0.1
127.03904	0.8
129.05469	2.5
133.02856	0.4
135.04417	0.1
137.02313	0.4
138.93280	0.1
145.04956	0.7
147.04398	0.4
147.06509	0.8
153.01822	1.8
157.06525	0.2
165.01837	1.1
166.73698	0.1
169.01311	0.5
181.78893	0.1
183.02876	0.4
185.06023	0.2
189.10521	0.1
213.05461	0.7
231.06558	0.5
241.05045	0.5
245.04326	0.1
258.05194	0.6
259.06039	0.2
269.04367	0.1
271.05963	0.7
287.05472	100.0
288.05811	1.9
329.06625	0.2
445.52548	0.1
449.10733	0.8
615.04291	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	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05476	0.3
57.03426	0.8
59.18611	0.2
61.02913	1.0
64.63483	0.3
68.99775	0.5
69.03406	0.5
69.81724	0.6
69.82134	1.0
70.78586	0.2
71.04987	6.4
73.02914	0.4
83.04993	0.3
85.02900	9.4
91.03934	0.6
91.05460	0.3
97.02876	0.9
107.04979	0.3
111.00855	0.3
111.04436	0.2
119.04935	0.5
121.02110	0.3
121.02854	1.3
124.57302	0.3
127.03935	0.5
129.05499	2.1
135.04419	0.6
137.02357	0.7
145.04861	0.3
147.06491	0.7
149.14238	0.3
153.01814	3.4
165.01814	0.7
168.41347	0.2
183.02837	0.4
185.06042	0.3
192.12415	0.3
195.76625	0.3
213.05426	0.8
231.06529	0.3
231.67078	0.3
241.04784	0.5
258.05267	0.5
259.05981	0.3
267.72891	0.3
269.04437	0.3
271.06006	27.3
272.06360	0.3
287.05484	100.0
288.05875	1.1
309.60779	0.3
433.10986	0.4
514.96857	0.3
551.45178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Orientin 7-O-rhamnoside
Peak:m/z	Relative Intensity
53.99502	1.0
55.01863	1.4
57.03429	6.2
70.76273	3.2
71.04990	37.8
79.63737	1.0
83.04987	1.6
85.02901	37.9
87.04478	1.4
98.79089	0.9
104.14435	1.0
121.02877	1.4
129.05473	7.9
135.04428	2.4
137.02330	6.1
141.01828	1.1
149.02425	1.1
161.02338	2.1
163.03874	1.9
165.01871	9.0
167.03360	4.4
183.02896	4.2
195.02856	3.2
203.03354	1.5
205.94400	1.0
215.03427	1.1
223.33853	1.0
243.02950	1.3
243.06844	0.9
245.04410	1.6
271.05807	1.0
283.05951	10.6
286.04721	4.1
286.69275	1.0
287.05505	8.5
295.06049	1.4
297.07504	8.3
299.05487	97.7
300.06201	12.3
307.05994	1.1
311.02036	1.5
311.05463	13.0
311.09052	3.0
313.03638	1.6
313.06693	5.2
321.07477	2.5
323.05411	3.1
324.06232	1.8
325.03491	1.7
325.07013	25.1
329.06534	100.0
330.06900	2.5
337.07016	3.7
339.08676	17.9
349.07080	4.8
353.06549	46.3
365.06537	13.4
367.08032	4.4
377.06494	10.1
383.07599	28.3
395.07581	18.5
413.08643	23.3
431.09717	46.1
433.11407	2.8
449.10782	82.3
450.11313	1.5
465.95767	1.2
575.82959	1.1
595.16150	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01866	5.3
55.05513	15.7
57.03424	6.8
57.07058	7.8
61.02913	5.7
65.70485	2.7
67.05499	36.8
69.03426	34.0
69.07066	43.1
69.34587	12.1
69.35011	16.5
71.04980	6.7
71.08628	3.3
73.02882	5.0
79.05490	17.2
81.03414	21.8
81.06571	5.6
81.07050	94.9
83.08613	24.7
85.02895	66.9
87.00822	31.6
91.05458	13.1
93.07032	44.4
95.04941	8.1
95.08604	100.0
97.02885	25.4
97.06507	3.9
97.10169	17.5
99.04448	8.6
99.08079	3.3
105.01861	37.9
105.07024	20.3
107.08585	38.1
109.02872	25.0
109.06509	2.8
109.10146	53.2
111.11694	11.7
119.08594	13.1
121.10142	28.2
123.11692	33.5
125.13306	3.8
127.03911	50.9
129.01765	4.6
133.10121	10.2
135.11674	27.5
137.13243	17.7
145.04970	14.1
147.11662	8.9
149.13240	32.5
151.07484	3.5
151.14780	4.1
159.02808	6.2
159.11650	4.6
161.13210	7.2
163.14833	13.8
165.16461	4.1
171.11679	3.6
175.14799	6.1
177.16359	10.7
179.17886	4.8
189.16273	3.3
191.17900	7.5
203.17940	8.0
209.86964	2.9
213.03902	4.4
217.19464	8.8
231.04893	10.0
249.05928	6.8
261.25812	5.1
273.25684	24.2
289.25305	3.5
291.26828	19.8
297.27808	9.0
309.27872	23.7
327.28836	6.5
348.30197	2.9
381.27463	4.8
399.28763	7.2
503.29730	5.9
539.32428	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37082	3.9
53.03939	4.4
55.05499	14.0
57.03411	4.0
57.07083	7.8
58.26557	4.1
59.30479	4.3
65.57394	4.1
67.05495	32.5
69.03418	16.7
69.06722	4.3
69.07064	54.0
71.04978	7.3
71.08595	5.5
71.60997	8.1
74.59907	3.5
79.05486	17.8
81.03413	11.4
81.07055	100.0
83.08614	25.1
85.02917	27.5
85.06529	6.9
87.00787	7.6
91.05428	6.3
91.05859	4.5
93.07036	38.1
95.04954	9.7
95.08600	94.5
97.02876	15.6
97.06529	6.0
97.10143	14.1
105.01878	5.0
105.07042	19.1
107.08583	34.2
108.40788	4.2
109.02882	9.7
109.10143	53.2
111.08088	5.5
111.11681	13.1
113.32240	3.8
119.08559	12.8
121.06475	4.8
121.10130	29.7
123.04437	3.9
123.11696	38.5
125.13221	6.6
127.03896	15.3
133.10103	13.3
135.11691	20.0
137.05969	5.8
137.13225	17.9
139.11192	5.6
145.04950	5.8
147.11635	10.0
149.13246	25.1
151.14772	10.0
159.11562	5.6
161.13234	10.2
163.14798	15.4
165.16472	4.8
167.06892	4.9
177.16344	9.4
177.90341	3.9
185.13510	4.0
189.16385	4.4
191.17970	9.5
203.18025	5.0
231.04973	5.3
261.25644	4.8
273.25696	23.6
279.26608	6.7
285.07556	9.7
291.26651	20.0
297.28000	4.0
300.09885	19.8
309.27896	19.4
327.28922	5.2
355.06754	5.0
357.13052	6.1
533.33569	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	593.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.8
55.01862	9.2
55.05497	12.5
57.03430	5.9
57.07072	7.2
57.77251	3.4
61.02911	5.8
65.41341	3.9
67.05477	21.0
69.03428	37.6
69.07063	31.0
69.28150	40.2
71.04983	6.3
71.08598	3.9
73.02895	6.8
79.05477	12.0
81.03403	23.5
81.06636	5.8
81.07052	56.8
83.08598	14.5
83.14073	3.6
85.02419	7.3
85.02900	100.0
85.06535	4.4
87.00822	40.9
87.82167	4.1
91.05438	9.5
93.07027	27.3
95.04955	8.8
95.08607	54.7
97.02895	35.8
97.06518	6.0
97.10129	4.7
97.46552	3.6
99.04420	11.2
104.44006	3.6
105.01863	68.2
105.07035	17.9
107.08604	23.3
109.02881	27.1
109.10144	42.5
110.10522	3.6
111.08109	4.8
112.07400	4.1
115.03915	5.8
119.08553	13.2
121.06416	4.5
121.10135	22.3
123.04456	5.7
123.11723	24.8
125.13206	4.1
127.03913	82.5
133.10129	9.3
133.71736	3.6
135.11681	20.9
137.05927	9.4
137.13239	15.1
145.04924	31.6
145.10092	5.1
147.11688	6.4
149.13278	23.1
151.07399	6.1
151.14793	4.5
159.02914	10.4
159.11674	6.1
161.05862	3.8
161.13264	5.5
163.14893	8.5
167.06903	5.6
171.11703	3.5
175.14548	5.0
177.16461	5.6
179.06960	3.9
191.07042	4.4
191.17921	5.3
203.10611	4.5
231.04965	19.3
249.05891	7.6
273.25610	13.1
291.26837	11.1
309.27814	12.8
355.06879	5.0
356.07104	4.5
381.27844	6.6
399.28946	9.7
521.30865	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	593.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01884	1.3
55.05495	5.1
57.03436	1.6
57.07071	2.5
61.03389	1.3
67.05505	11.0
69.03423	10.9
69.07064	4.8
69.71629	9.2
71.04987	3.8
79.05478	5.7
81.03393	5.2
81.07052	13.0
83.01360	1.5
83.04957	3.2
85.02900	47.5
85.06531	6.9
91.05464	11.9
93.07053	7.8
95.04939	3.4
95.08598	26.3
97.02863	7.3
97.06514	1.7
99.04444	4.4
103.05453	1.8
103.64026	1.4
105.06374	2.5
105.07028	32.8
107.04960	1.8
107.08593	11.9
109.02879	2.9
109.06501	15.2
109.10149	21.9
111.04442	2.2
112.07043	1.2
113.05967	1.5
117.06984	3.1
119.08576	43.4
119.09428	2.6
119.47543	1.3
121.06467	1.8
121.10147	17.2
123.08075	16.1
123.11700	58.1
125.05988	14.0
126.01157	1.4
127.03937	10.1
131.08554	4.3
133.06468	4.5
133.10104	4.1
135.08070	2.7
135.11679	3.0
135.70724	1.3
137.09538	1.4
139.07504	1.5
143.08508	2.3
145.04948	4.0
145.10118	15.1
147.08035	4.9
147.11678	61.4
149.09613	19.7
151.07530	13.0
156.09355	5.1
159.08044	2.3
161.02948	2.1
161.09618	2.8
161.13234	5.2
163.11201	5.8
165.12727	6.8
167.10648	12.1
171.11711	5.3
174.10396	3.7
179.14304	2.4
189.12737	69.1
191.14229	4.0
207.13786	100.0
209.15527	3.4
225.14819	29.0
251.09152	3.1
307.13788	1.9
333.16913	30.9
351.18024	57.2
369.19058	26.5
387.20288	11.7
395.25809	2.7
409.16946	3.1
411.16681	1.9
413.26859	2.3
473.22180	1.5
575.31903	2.5
593.33051	4.1
598.17450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.12275	0.1
62.11483	0.1
69.32784	0.9
77.85459	0.1
131.20068	0.1
188.39668	0.1
196.19572	0.1
207.09224	0.1
209.10696	0.1
221.10832	0.1
223.12360	0.1
224.12961	0.1
235.12286	0.1
237.13725	0.2
245.10823	0.1
298.13406	0.1
299.14331	0.1
324.14743	0.1
338.16699	0.1
352.18365	0.1
386.19058	0.1
387.16144	0.3
388.17090	0.2
389.17368	0.6
390.18433	0.2
391.19873	0.1
392.20410	0.1
400.17990	0.1
401.17831	0.3
402.18588	0.5
403.14606	0.1
403.19272	1.7
404.19952	0.7
405.20676	1.1
406.21609	0.2
407.21915	0.1
415.19327	0.3
416.15552	0.2
416.20935	0.5
417.16528	0.7
417.21497	2.3
418.21899	1.1
419.22369	2.7
420.22977	0.2
421.23663	0.1
429.16418	0.1
429.21411	0.1
430.17322	0.8
431.10132	0.1
431.18195	5.6
432.18604	1.8
432.24112	0.3
433.24191	4.4
434.24765	1.1
444.19522	0.4
445.19830	6.2
446.20688	3.4
447.21695	4.1
448.22406	0.3
449.23541	0.4
458.21240	0.1
459.21375	2.4
460.22540	9.0
461.23282	7.5
462.24832	0.5
463.21338	0.3
464.22095	0.1
473.23822	1.8
474.24161	0.5
476.26157	0.7
477.21774	0.7
477.27734	0.2
487.25305	0.9
488.25912	0.1
489.18655	0.2
489.27188	0.4
491.24289	0.6
492.25305	1.3
493.25836	0.2
503.20834	0.1
504.21283	0.2
505.22003	5.3
506.21811	0.2
515.24207	0.3
518.23492	0.5
519.23761	0.8
533.25476	24.7
534.25909	1.3
547.26984	0.2
549.21533	0.2
550.25610	0.2
551.27014	0.1
561.24707	0.4
564.23596	0.8
565.28400	0.6
575.26813	0.3
578.25098	0.3
593.27533	100.0
594.27832	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62856	0.4
66.03220	0.4
67.05500	0.4
71.07691	1.0
71.19927	0.3
81.07083	0.4
100.76965	0.4
174.93025	0.4
311.70529	0.4
331.09271	0.4
389.17844	1.4
402.18710	0.8
403.19333	2.5
404.19644	1.2
405.21008	1.1
416.20285	0.9
417.16074	0.6
417.21292	3.1
418.21637	1.5
419.22351	3.0
430.17664	0.6
431.18271	7.1
432.18539	2.0
433.24197	6.5
434.24799	1.2
445.20013	9.0
446.20560	3.8
447.21716	5.1
459.21652	3.2
460.22595	11.5
461.23325	10.9
463.21033	0.4
473.23584	2.1
474.24014	1.1
476.26022	0.9
487.25095	1.2
489.26370	0.7
491.24631	0.7
492.25290	1.2
505.21921	4.3
518.22620	0.5
519.24115	0.5
533.25494	43.5
534.26129	2.1
547.26978	0.9
564.24054	0.5
565.28125	0.7
593.27570	100.0
594.27850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1862
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
55.05484	0.2
57.03404	0.2
60.43539	0.1
67.05459	0.3
68.99805	0.1
69.03389	0.2
69.07025	0.3
71.04990	0.6
79.05457	0.1
81.03387	0.2
81.07057	0.7
83.04972	0.1
83.08569	0.2
85.02433	0.1
85.02897	1.2
93.07000	0.4
95.04900	0.1
95.08590	0.4
97.02879	0.2
105.07003	0.1
107.08559	0.3
109.02888	0.1
109.10118	0.3
111.04383	0.1
111.11671	0.1
121.10107	0.1
123.11687	0.2
127.03854	0.2
129.05460	0.2
133.06479	0.8
133.10124	0.1
135.04417	0.2
137.05974	0.1
137.13231	0.1
145.10138	0.1
149.13225	0.2
153.00696	0.1
153.01816	1.0
153.12711	0.1
155.10704	0.1
159.04454	0.2
171.02875	0.2
177.05466	0.1
182.15390	0.1
207.06433	0.1
239.07030	0.1
242.05713	10.9
243.06210	0.1
256.85999	0.1
270.05212	9.4
271.05652	0.1
284.06812	0.1
285.07547	100.0
286.04843	0.1
286.07898	1.3
291.26855	0.1
301.07010	0.2
309.27792	0.2
313.03412	0.1
325.51874	0.1
327.08371	0.1
327.28900	0.1
447.12653	0.5
593.18518	0.3
605.11725	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	593.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.03426	0.6
65.03929	0.7
67.05488	1.2
69.07057	1.7
71.01854	0.6
71.02167	0.8
76.51900	0.5
79.05496	0.6
81.07063	1.1
83.08596	0.6
90.66423	0.5
91.05461	0.5
91.05799	0.6
93.07021	1.2
95.08622	0.9
105.07034	0.5
107.04944	1.0
107.08609	0.8
108.20327	0.5
111.04467	0.9
115.06857	0.6
117.08964	0.5
121.02858	8.4
130.40773	0.5
149.06071	0.5
161.05940	1.4
163.03888	1.1
171.08060	0.5
195.08081	1.2
196.08366	0.5
215.07097	0.5
237.09328	0.5
239.07016	0.7
253.04823	0.9
254.05800	0.7
255.02928	2.2
255.06570	0.9
265.08655	1.9
266.05777	0.7
267.06610	1.0
271.06073	1.3
273.04071	0.7
278.05676	0.7
279.06662	0.7
283.06247	0.8
293.08179	2.8
294.08923	1.4
303.06573	0.7
303.10098	1.2
307.17081	0.8
309.11212	1.4
317.07990	0.9
318.12558	0.7
319.05966	0.5
323.12967	0.8
324.13333	3.1
331.06134	0.6
331.09689	1.7
343.09750	0.6
344.06976	0.9
345.07562	0.7
345.11343	0.8
346.11978	0.7
356.06464	0.7
357.07550	1.4
373.06976	3.8
373.11041	0.6
374.11615	1.4
385.07013	0.7
400.05573	0.6
401.06464	1.6
401.11044	0.6
402.07300	1.2
403.08011	0.7
410.07834	0.6
412.05991	0.8
415.12231	0.8
416.12466	1.8
442.10385	2.0
458.13705	1.7
460.11682	2.4
484.15399	0.7
524.10968	3.8
525.11816	4.7
537.11621	0.7
551.13647	0.8
563.13446	7.7
575.33875	0.9
578.15619	0.6
593.18024	100.0
594.18433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88794	0.4
53.03939	1.9
55.01865	1.3
55.05514	3.1
56.05031	2.6
57.07061	1.7
58.81381	0.5
60.04513	1.8
67.05172	0.6
67.05506	9.4
68.05034	0.7
69.03426	3.8
69.07079	2.5
69.68407	2.7
69.68824	1.1
70.06574	0.8
71.04977	2.4
71.08639	0.8
79.05051	0.7
79.05494	10.3
80.05004	2.8
81.03402	2.5
81.05785	1.5
81.07056	10.7
82.06583	3.9
83.08595	2.3
85.02902	1.8
85.06535	1.8
87.04472	2.9
91.05467	4.2
93.07043	20.2
94.06566	17.5
94.07180	0.6
95.04960	2.8
95.08607	19.4
96.02286	0.5
96.08151	2.8
97.02872	0.7
97.06520	4.3
97.10177	1.4
98.20777	0.9
103.05474	0.8
105.07037	8.7
107.07317	2.4
107.08598	0.6
108.08129	0.5
110.09686	8.3
111.08080	13.8
120.08107	1.1
121.02851	0.9
122.09667	33.1
123.08067	25.3
128.10716	35.1
135.11716	0.4
140.10703	100.0
141.09097	11.8
148.16063	0.5
158.11771	7.1
182.06247	0.5
189.99077	0.6
254.24826	1.4
272.25827	7.5
278.28577	0.8
290.28253	0.7
313.27325	0.8
314.27310	0.6
364.31702	1.2
376.32083	0.8
382.33212	8.5
394.33182	20.1
412.34219	75.3
419.79395	0.6
563.13562	0.6
592.33881	0.6
593.18060	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	592.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
54.09022	3.9
55.05501	11.0
57.03438	24.7
57.07056	10.9
65.10760	3.7
67.05155	5.9
67.05498	53.8
69.03070	7.4
69.03424	100.0
69.07057	10.7
71.04981	4.3
71.08627	6.3
71.61536	5.1
76.25913	4.0
79.05479	23.2
81.03417	10.8
81.07052	64.0
83.04979	5.0
83.08595	13.6
85.02912	4.0
87.04460	8.2
91.05465	13.4
93.07031	39.4
95.08599	53.4
99.04454	41.6
105.07018	9.2
107.08562	22.8
109.10137	30.8
113.63894	3.6
117.05495	52.9
117.06926	9.3
119.08562	12.2
121.10126	19.9
123.11678	13.1
131.08553	10.0
133.10092	10.7
135.06540	7.5
135.11656	11.3
137.09567	4.1
137.13226	7.3
145.10069	6.5
149.13248	12.8
159.11667	9.8
161.13248	7.1
163.14822	6.1
173.13182	9.9
177.16362	4.1
187.14957	4.3
209.15437	4.1
243.05890	4.1
243.21155	20.1
257.48233	3.8
261.22162	50.5
262.22321	4.7
267.31183	4.7
279.23087	41.0
313.27255	11.8
314.27448	6.2
329.76273	4.5
336.26138	5.7
377.26706	6.2
395.27951	37.2
413.28650	6.7
459.54419	4.2
574.48907	4.5
592.20831	5.4
592.49744	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	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11477	1.1
53.03928	5.2
55.01857	4.4
55.05509	16.2
56.46667	1.4
57.03420	4.4
57.07061	7.4
58.53601	1.2
59.04993	2.5
60.82255	1.3
61.02910	2.2
61.55630	1.2
65.03937	1.7
67.05172	2.1
67.05501	34.1
68.99775	1.8
69.03075	1.5
69.03426	20.4
69.07065	50.4
70.49055	2.5
70.49413	4.8
71.04988	8.2
71.08627	1.8
73.02899	4.7
73.06552	1.4
79.05062	1.7
79.05486	23.2
81.03411	21.1
81.07053	100.0
83.04964	5.9
83.08615	13.9
85.02901	54.2
85.06539	20.0
87.00817	19.9
91.05472	14.3
93.07037	52.5
95.04964	8.7
95.08601	84.6
97.02888	17.7
97.06527	6.9
97.10172	9.4
99.04440	9.4
99.07565	1.4
99.08102	15.3
103.03960	1.6
105.01857	17.7
105.07027	29.2
107.04972	1.3
107.08588	43.7
109.02871	15.6
109.06480	4.2
109.10150	79.6
111.08086	6.5
111.11698	11.5
113.09596	4.5
113.10301	1.5
117.01838	3.2
117.07013	1.8
119.08574	25.7
121.06464	2.5
121.10133	40.2
123.08089	2.4
123.11704	28.4
124.07565	2.1
125.09611	4.5
127.03902	29.5
127.11184	1.7
129.01820	2.7
131.08588	9.0
133.10130	18.7
135.11684	44.5
137.05917	2.2
137.09613	4.8
137.13254	8.5
139.11142	9.6
143.08540	3.6
144.09238	1.4
145.04930	10.3
145.10129	16.1
147.10660	1.5
147.11691	18.5
148.07513	1.8
149.13260	24.7
151.11165	3.9
151.14818	4.3
153.12753	12.2
155.10660	3.4
157.10181	1.8
157.12224	2.6
159.02888	6.9
159.11693	15.4
161.13243	12.8
163.11072	2.0
163.14809	11.6
165.12718	5.4
167.07036	3.5
167.14301	3.8
171.11606	1.5
173.13220	7.9
175.14856	9.4
176.14951	1.4
177.05556	1.6
177.12735	1.2
177.16356	18.2
179.14293	1.7
179.17996	2.5
185.13141	2.0
185.15419	1.7
187.14732	6.9
189.16362	5.9
191.17957	3.1
193.15840	2.3
195.17445	10.6
201.16373	4.1
203.17892	4.4
211.16713	1.4
213.18484	17.8
215.17943	6.2
229.19516	2.4
231.04982	5.3
231.21082	2.6
245.22617	3.6
259.24231	3.1
271.24155	19.2
277.25217	11.9
289.25223	29.8
295.26324	20.2
303.13409	1.3
307.26285	35.8
325.27383	23.1
343.28293	4.0
498.07452	1.5
546.18457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
53.56271	1.2
55.01856	6.1
55.05503	16.6
57.03416	6.2
57.07075	9.2
59.05000	1.5
61.02911	3.2
67.05501	32.5
68.99799	1.5
69.03424	21.8
69.07066	38.7
69.38457	10.1
69.38866	3.1
71.04984	5.8
71.08615	5.1
73.02917	3.4
79.05493	21.4
80.49342	1.2
81.03414	16.9
81.07054	100.0
83.04963	4.0
83.08617	15.0
85.02904	46.8
85.03423	2.4
85.06062	2.4
85.06538	26.2
87.00827	22.1
91.05476	16.5
93.07045	48.3
95.04973	9.6
95.08603	92.4
97.02886	18.0
97.06510	4.8
97.10159	10.5
99.04447	7.4
99.06181	1.4
99.08099	10.2
100.10865	1.3
103.05431	1.8
103.17898	1.4
105.01862	19.4
105.07029	35.4
107.08587	41.4
109.02869	15.4
109.06535	3.9
109.10154	65.1
111.04456	1.2
111.08059	6.0
111.11711	9.0
113.09663	3.2
117.01846	2.2
117.06998	4.4
119.08576	27.1
121.06525	1.7
121.10139	44.0
123.08044	4.0
123.11701	39.2
124.07542	1.6
125.09599	5.7
125.13265	2.3
127.03912	28.3
127.11146	1.6
129.01805	2.7
129.06920	1.4
131.08569	10.7
133.10120	21.9
135.11691	31.1
137.05995	1.8
137.09608	5.6
137.13251	20.2
139.11186	8.1
141.12759	2.0
143.08560	2.3
145.04953	12.0
145.10106	11.8
147.11674	20.4
147.64407	1.6
149.09572	2.0
149.13263	26.0
151.11191	5.1
151.14818	3.8
153.12787	3.0
155.10655	3.2
157.12306	1.7
159.02881	6.8
159.11687	18.8
161.13248	15.9
163.11139	2.5
163.14790	13.4
165.12744	7.5
165.16339	2.1
167.14316	3.3
169.12212	2.2
173.13261	10.5
175.14809	9.8
177.16406	19.1
177.17862	2.3
179.14316	3.4
179.17981	1.9
183.13670	1.4
185.13275	2.5
187.14813	11.3
189.16376	8.6
191.17931	2.0
193.15862	3.2
195.17410	8.4
201.16382	4.6
203.17915	4.2
207.17421	1.6
213.18483	12.3
215.17975	8.0
217.19376	2.2
221.18953	1.5
229.19469	1.9
231.05006	5.7
231.21135	3.9
233.18936	2.6
243.20787	1.4
245.19331	1.5
245.22601	2.2
249.06091	2.1
259.24164	2.7
263.23697	2.7
271.09732	1.4
271.24197	22.0
277.25320	12.8
289.25256	35.9
295.26294	12.9
307.26321	33.8
325.27417	13.3
343.28546	8.3
411.27298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29982	2.4
53.03928	2.8
55.05506	11.5
57.03431	2.9
57.07063	5.0
59.04986	12.6
64.93839	2.4
67.05505	20.4
69.03431	11.3
69.07063	43.2
69.35771	10.4
69.36207	13.4
71.04974	3.3
71.15600	2.1
79.05496	17.4
81.03403	9.9
81.07056	89.6
83.08600	13.7
84.54875	2.3
85.02893	21.3
85.06533	3.1
87.00807	7.0
91.05473	8.1
93.07034	38.4
95.04951	3.8
95.08597	100.0
97.02883	6.0
97.06534	7.3
97.10146	7.8
99.04470	3.0
105.01843	4.8
105.07035	17.1
107.08593	33.1
109.02869	4.0
109.10150	48.4
111.07992	3.7
111.11706	11.1
117.01878	2.4
117.06995	3.8
119.08588	14.3
121.10133	29.6
122.92551	2.2
123.08033	2.5
123.11704	32.4
125.09661	2.3
127.03908	14.3
131.08565	7.0
133.10097	8.9
135.11685	35.0
137.09627	2.9
137.13245	40.7
139.11179	11.1
145.04962	4.4
145.10063	5.0
147.11711	11.0
149.13254	29.2
151.11223	3.1
151.14824	2.3
153.12628	3.5
159.11693	9.2
161.13252	8.3
163.14836	8.6
165.12849	2.9
173.13235	4.6
175.14807	9.6
175.69601	2.2
177.16281	3.2
179.46364	2.3
187.14807	6.6
201.16403	2.9
203.17824	2.5
205.19498	6.9
215.17932	5.2
231.21069	20.3
240.51007	2.6
249.22099	5.5
271.24207	12.1
277.25189	4.6
289.25244	46.3
295.26276	2.3
307.26300	36.0
325.27246	5.4
329.73901	2.8
397.27063	3.7
519.29413	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	591.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05511	19.3
57.03428	5.4
57.07072	6.2
67.05182	3.3
67.05498	24.0
67.63417	3.5
69.03429	16.6
69.07057	44.7
71.04983	9.8
71.08624	4.3
71.60799	4.7
73.02932	4.5
79.05504	21.4
81.03412	14.9
81.07055	67.4
83.08614	18.9
83.22380	3.2
85.02899	20.8
85.06564	4.1
87.00826	7.7
91.05485	23.8
93.07037	100.0
95.04967	22.5
95.08602	53.0
97.02883	13.3
97.06544	8.1
97.10154	11.3
105.01881	6.3
105.07037	19.8
107.08589	27.9
109.02873	8.3
109.06490	6.0
109.10154	31.3
111.08080	14.4
111.11726	6.5
119.08517	18.7
121.06570	4.5
121.10129	31.7
123.08043	6.4
123.11693	20.1
125.09598	5.1
127.03914	15.6
131.08556	5.6
133.10146	12.3
135.11691	10.0
137.05917	4.0
137.09601	4.1
137.13203	5.0
139.11165	6.2
145.10095	8.0
147.04417	5.3
147.11665	11.3
149.13271	17.4
151.11253	6.0
159.10170	3.4
159.11693	14.8
161.13240	9.5
163.11188	6.3
167.08601	3.5
167.14340	6.4
173.13223	6.6
175.14758	6.7
187.14728	3.7
195.08124	4.6
209.19041	4.0
271.24219	11.5
289.25171	23.6
295.26401	7.1
307.26285	81.7
308.26550	6.1
325.27454	29.4
344.55737	3.7
393.03235	4.0
415.28354	4.5
429.15472	3.8
481.27350	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	589.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01864	6.2
55.05518	15.1
57.03420	11.7
57.07053	6.7
59.04989	2.8
61.02904	6.0
63.65046	2.5
67.05500	26.2
69.03075	3.0
69.03427	33.0
69.07066	40.2
69.26223	15.3
69.26655	16.3
71.04986	18.8
71.08623	2.7
73.02902	6.9
78.89001	2.4
79.05489	36.4
81.03408	25.5
81.07053	83.2
83.04961	8.6
83.08601	12.5
85.02424	4.4
85.02903	57.7
85.06538	4.2
85.07624	5.0
87.00813	19.4
91.05469	23.2
93.06463	4.9
93.07037	69.5
95.04970	18.7
95.08604	73.1
97.02882	30.2
97.06503	12.3
97.10183	4.8
99.04434	10.7
99.08065	4.7
102.90977	2.5
103.03844	3.1
105.01867	14.7
105.07023	28.3
107.04948	4.2
107.08578	47.4
109.02864	22.0
109.06503	9.5
109.10139	48.5
111.08043	7.4
111.11710	7.9
115.03917	4.8
117.07055	2.9
119.04929	2.6
119.08575	31.7
121.06480	6.1
121.10137	100.0
123.04417	9.2
123.08051	4.8
123.10818	4.6
123.11705	54.3
125.05963	3.8
125.09603	5.0
127.03920	36.8
127.04805	4.6
129.06985	4.1
131.04909	3.8
131.08560	8.8
132.08018	2.5
133.10104	23.9
135.11696	40.7
137.02280	3.0
137.05956	10.3
137.09619	6.8
137.13194	9.4
139.11156	11.1
143.08559	3.5
145.04958	10.1
145.10103	14.0
147.04424	3.6
147.11647	18.8
149.05896	3.7
149.09596	10.6
149.13255	17.8
151.03954	3.2
151.11142	8.6
153.12700	8.2
157.10092	7.5
159.02864	9.6
159.11647	12.8
161.06015	3.6
161.09619	4.9
161.13254	5.8
163.03937	3.7
163.07552	4.2
163.11143	16.2
165.12740	6.7
167.07010	6.9
167.10634	12.0
171.11607	3.8
173.13254	8.1
175.11125	3.4
175.14793	5.9
177.05470	10.1
177.16434	3.3
178.05795	4.0
181.12234	25.1
187.14848	5.7
189.16451	3.1
193.15831	3.7
213.16356	4.9
229.19475	4.6
231.04919	5.0
243.21268	3.6
269.22574	13.1
285.15247	3.1
287.23584	29.6
293.24677	4.3
305.24725	55.7
323.25784	30.6
330.11414	5.5
341.06290	3.1
347.22971	3.2
427.26770	6.2
517.27753	3.7
589.32465	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07430	2.3
53.03944	5.5
55.01860	6.5
55.05511	11.9
56.96552	2.3
57.03412	5.2
57.07060	8.0
59.04985	4.8
61.02914	6.2
67.05498	30.6
68.99773	3.6
69.03078	2.5
69.03425	35.7
69.06716	3.7
69.07064	48.4
69.55992	6.4
69.56419	11.4
71.01348	3.5
71.04990	21.8
73.02882	3.9
79.05486	28.2
81.03417	24.1
81.07050	93.1
83.04980	7.9
83.08609	15.1
85.02413	3.8
85.02897	51.4
85.06530	6.7
87.00819	16.4
91.05469	20.5
93.06466	5.0
93.07040	86.3
95.04980	15.3
95.08602	67.6
97.02880	24.5
97.06506	12.4
97.10138	5.2
99.04476	10.9
99.08118	4.2
103.05420	2.9
105.01852	18.0
105.07034	34.4
107.04935	5.0
107.08588	56.2
107.09290	5.0
109.02864	20.8
109.06490	7.7
109.10152	52.4
111.04470	3.7
111.08086	7.3
111.11684	7.8
117.01820	2.6
117.06967	4.6
119.04885	3.2
119.08558	33.1
121.06496	5.8
121.10133	100.0
123.04379	3.7
123.08047	4.4
123.11692	66.8
125.05975	6.3
125.09651	5.5
127.03905	39.0
129.06912	2.7
131.08536	9.9
133.06451	2.4
133.10136	23.1
135.11685	50.2
137.05960	10.1
137.09598	8.4
137.13232	7.1
139.07608	3.6
139.11171	12.0
140.80048	2.0
141.12781	2.6
141.65215	2.6
143.08604	3.9
145.04932	12.4
145.10103	16.9
147.04330	3.4
147.11659	21.3
149.05919	3.3
149.09608	5.1
149.13237	19.0
151.11180	9.5
153.12714	12.9
155.10640	4.6
157.10020	2.6
159.02852	10.1
159.11662	14.5
161.09622	4.2
161.13260	7.8
163.11169	17.3
163.14780	5.2
165.09042	2.6
165.12733	7.5
167.07063	3.7
167.10669	8.0
169.10097	3.3
171.11763	3.3
173.09604	3.0
173.13260	6.3
175.03824	2.4
175.07579	2.8
175.11137	3.1
175.14796	6.3
177.12718	6.1
177.16371	5.9
181.12236	29.0
183.11752	2.7
183.13715	2.1
185.13280	2.3
187.13246	2.7
187.14845	2.9
189.12688	2.3
189.16333	4.0
199.13272	5.1
201.16449	3.7
203.17975	3.4
213.03983	4.5
213.16342	4.6
229.19540	3.6
231.05025	6.9
261.22205	2.4
269.22598	9.9
275.23697	3.3
275.30365	2.5
287.23660	31.6
293.24658	7.4
305.24704	62.7
306.25262	2.7
323.25821	44.9
351.93988	2.6
517.27710	4.2
535.29065	2.8
589.31757	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	589.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01865	7.5
55.05512	16.2
57.03442	7.3
57.07063	3.5
59.04993	5.4
59.14547	1.4
61.02923	3.9
66.51244	1.3
67.05503	13.3
68.99773	2.3
69.03424	28.9
69.07066	100.0
70.79569	4.6
71.04996	5.9
73.02906	3.9
79.05500	9.1
81.03410	22.8
81.07056	33.5
82.65533	1.4
83.04989	3.3
83.08624	7.7
85.02904	55.3
85.06531	8.0
87.00824	16.3
87.83188	1.3
91.05471	15.6
93.07043	36.2
95.04977	7.6
95.08605	28.3
97.02886	18.7
97.06527	8.1
97.10172	3.8
99.04453	11.2
99.08082	4.0
101.02421	1.8
101.07753	1.3
105.01873	13.5
105.07024	33.9
107.08597	20.3
108.91745	1.4
109.02874	22.1
109.06517	3.6
109.10157	24.9
111.08055	2.5
111.11714	30.9
117.01865	2.5
117.07023	3.6
119.08577	26.8
121.06473	2.6
121.10136	46.6
123.04426	2.3
123.08058	2.2
123.11707	20.4
125.09637	3.3
127.03915	34.8
129.01859	2.8
129.12737	1.6
131.08560	10.7
133.10124	74.3
135.08025	2.8
135.11699	12.8
137.05975	3.4
137.09615	2.1
137.13257	4.5
139.11177	26.9
142.07822	2.5
143.08582	3.4
145.04970	11.6
145.10124	15.5
147.02922	1.8
147.04445	1.7
147.11681	14.7
149.09650	2.9
149.13249	15.5
151.11234	6.2
153.33765	1.7
157.10115	7.7
157.12222	4.9
159.02885	11.8
159.11665	13.5
161.05995	1.8
161.13246	4.1
163.11171	1.9
163.14825	2.1
167.10800	2.7
167.14398	2.2
171.11716	5.0
173.13322	7.7
175.11176	12.2
175.14897	2.3
177.12788	2.8
177.16441	4.2
185.13292	4.9
187.14806	2.8
189.16383	2.4
193.15855	1.5
199.14847	3.6
201.16414	3.1
203.14290	1.6
203.18024	1.7
207.17651	1.8
211.16971	3.3
213.03984	2.0
213.16402	3.8
213.18396	3.5
227.18053	1.7
229.19466	2.0
231.05023	5.2
269.22714	8.4
275.23599	9.3
284.28363	1.5
287.23672	15.8
293.24774	5.3
305.24713	27.8
323.25815	25.1
341.26880	10.1
485.01785	1.8
589.31879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	30.0
59.04995	1.1
60.33688	1.0
69.07060	3.8
70.42141	1.0
71.05833	2.9
71.08628	47.8
73.06558	9.7
75.71171	0.9
81.07061	1.3
87.04477	8.1
89.06030	100.0
91.07603	1.4
107.07101	4.7
107.08533	1.3
113.13282	3.7
117.09147	7.3
130.08647	5.8
131.07077	3.2
131.49681	1.2
133.08606	52.7
157.15903	6.8
161.11745	2.9
177.11238	22.6
177.12459	0.6
184.07304	1.9
187.46855	1.0
188.77469	1.0
198.18547	2.7
201.18483	16.0
204.78888	1.2
221.13838	4.1
239.14873	1.9
245.21149	10.2
283.17508	2.4
327.20569	1.0
344.82031	1.0
369.20544	0.9
392.16794	1.0
407.06738	1.1
456.95578	1.3
459.27841	3.5
571.40302	10.2
588.43921	4.7
589.18280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12292	0.9
53.03940	2.6
55.01863	3.4
55.05502	1.0
56.96563	0.9
57.03432	1.0
59.99250	0.8
63.75014	0.8
64.86608	0.7
65.03931	1.8
67.01845	1.9
67.05483	3.2
68.99786	2.2
69.03417	4.9
69.07049	2.0
69.76672	4.2
71.04980	0.9
72.51740	0.8
77.03907	0.9
79.05483	3.6
81.03403	2.7
81.07034	5.5
83.08598	1.1
84.08141	1.4
85.02885	3.9
91.05475	10.8
93.03385	1.1
93.07048	5.6
95.04972	5.1
95.08578	2.7
95.68980	0.8
97.02859	2.6
100.07626	1.5
103.05457	8.9
105.07015	1.5
107.04935	2.4
107.08561	2.4
109.02904	1.2
109.10159	1.6
111.00774	0.8
111.04424	1.0
117.06995	1.9
119.04964	1.1
119.08556	2.4
121.02885	1.0
121.06483	2.1
121.10120	2.9
123.04418	4.3
127.03911	2.5
131.04903	3.5
131.08583	2.0
133.06409	0.9
133.10039	1.2
135.07980	0.9
135.11696	1.5
137.02344	1.6
137.05978	4.9
139.03952	1.7
141.06967	1.0
142.12268	15.5
145.06467	1.6
145.10065	1.8
147.04376	1.9
149.05933	2.1
151.03902	1.6
151.07573	0.8
153.01823	58.1
159.11711	0.9
161.05951	3.0
161.09618	1.0
163.03891	1.6
165.01813	1.0
167.07086	4.3
169.06485	1.3
171.02916	1.1
173.05984	1.7
175.03903	10.3
177.05461	63.6
179.03372	3.1
179.07013	1.1
181.04898	1.1
184.08965	0.9
185.05878	1.0
187.03856	4.1
187.07491	1.3
189.05461	1.4
193.04927	1.3
195.02893	13.2
197.05995	1.7
199.59616	0.9
207.02831	2.6
207.06400	1.1
209.08011	1.1
213.05492	1.0
215.06909	1.4
219.02864	3.3
219.10210	1.0
221.04263	1.4
221.06117	1.5
224.20119	1.0
231.08008	1.1
235.02205	1.2
235.05978	1.1
237.05440	1.4
239.06985	1.6
247.02461	1.9
249.05647	1.1
249.11285	1.3
250.06339	1.3
253.05095	1.2
255.23151	2.9
258.06613	1.0
259.07614	1.2
261.05478	1.3
263.07022	2.1
267.06601	1.2
271.05591	1.7
273.08847	1.3
274.06332	1.5
275.07135	1.8
276.07828	1.1
279.06586	2.3
281.04916	1.1
281.07971	1.1
286.04626	1.4
287.06934	1.7
288.07767	1.1
289.04916	4.4
289.08560	1.5
291.06369	2.5
291.09991	2.0
294.05032	1.6
295.06027	1.8
296.06830	1.7
300.07730	1.1
301.08463	1.1
301.14240	0.9
302.05783	1.0
303.06528	2.5
304.07361	1.0
305.04541	1.9
305.08142	2.3
307.06049	2.9
315.06470	1.9
317.04431	4.2
317.08109	3.2
319.05975	2.1
319.09576	1.1
321.03976	2.9
327.06528	1.5
327.10126	1.9
329.08069	1.4
330.08813	1.1
331.06015	3.0
332.06778	4.2
333.07501	3.6
335.05460	9.9
335.09171	2.1
337.07108	1.5
337.10724	8.3
343.06110	1.3
344.06888	2.6
345.07520	3.2
345.11273	2.8
346.08398	1.8
347.09299	1.3
348.06168	1.0
349.06979	1.2
350.07986	7.3
355.09558	1.4
360.05933	1.1
360.10132	1.0
361.03317	3.5
361.07172	1.5
362.07755	1.0
363.08569	3.0
364.09460	1.7
365.06540	3.7
368.05627	1.9
373.10797	4.5
374.07544	2.1
381.06253	1.1
387.12335	1.5
389.06354	1.9
390.07117	1.2
391.07916	3.0
391.11737	3.6
393.09647	3.7
407.07523	5.1
408.08630	1.1
409.09161	14.2
411.10385	1.2
413.10367	1.1
415.11642	4.5
423.10834	19.2
433.12659	2.7
435.07971	1.6
463.07718	1.4
466.06693	1.1
480.08246	2.8
485.05112	3.7
497.04861	3.1
498.23389	1.7
508.08008	2.7
509.08368	1.9
521.12250	2.1
525.07776	1.7
526.08911	22.1
539.13098	3.3
541.28979	0.9
544.13263	2.0
549.11914	6.2
557.14069	3.0
567.12866	13.2
585.13794	100.0
585.29077	7.0
586.14044	1.8
609.71692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18708	0.4
53.03935	1.5
55.01867	2.2
56.96550	0.6
57.03428	0.6
65.03941	0.8
67.01834	1.1
67.05489	0.8
68.99799	1.3
69.03421	2.1
69.07063	0.9
71.04989	0.9
72.69635	0.5
77.42135	0.5
79.05490	2.0
81.03416	1.8
81.07043	1.1
83.04951	0.7
85.02915	1.3
91.05474	9.8
93.03400	0.9
93.07050	3.3
95.04956	4.7
95.08620	1.3
97.02890	0.9
98.21445	1.1
103.05463	9.4
105.07032	1.4
107.04972	1.4
107.08591	0.7
109.02872	0.6
111.00807	0.8
115.05480	0.9
117.07031	0.5
119.04930	0.7
119.08589	1.0
121.02848	0.6
121.06501	1.3
121.10170	0.6
123.04442	1.6
127.03932	0.9
129.07048	0.8
131.04933	2.7
133.10179	0.7
135.04460	0.6
136.44057	0.5
137.02328	1.1
137.05995	1.1
139.05370	0.5
140.58849	0.4
145.06445	0.8
147.04388	1.5
147.11705	0.7
149.06015	1.4
151.03943	1.2
153.01817	53.1
157.06480	0.4
161.06013	1.6
161.09662	0.6
163.03929	1.2
163.07468	0.6
165.01875	0.5
165.06940	0.5
167.07005	2.5
169.06471	1.0
173.06024	1.3
174.05405	0.7
175.03896	9.1
177.05461	63.3
179.03430	2.4
181.01324	0.8
181.04973	0.7
181.06500	0.6
183.08072	0.8
185.05977	0.7
187.03848	3.5
191.03407	0.6
193.01334	0.8
193.04947	1.0
195.02905	8.7
197.06023	1.5
199.07513	1.2
201.05440	1.0
205.01247	0.9
207.02921	1.5
211.03947	0.5
213.05472	1.4
215.06976	0.7
219.02893	2.2
221.04417	1.6
223.07585	0.5
227.06985	0.9
231.07957	0.6
235.07790	0.7
237.05379	1.2
239.06934	0.6
241.04959	0.7
245.06122	0.6
245.09668	1.1
247.02437	2.1
247.07724	0.5
249.09331	0.6
250.06314	1.0
251.07024	1.0
253.05055	0.7
255.06450	0.9
258.06760	1.2
259.07709	1.0
261.05511	0.7
263.06943	0.6
265.05084	0.6
266.05786	0.6
267.07007	0.5
272.08365	0.6
273.05582	0.7
273.09058	1.1
274.06277	1.0
275.06995	1.4
277.04770	0.7
278.05746	1.0
279.06625	1.4
285.07587	0.9
286.06171	0.8
287.07034	1.6
288.07852	0.8
289.04977	3.5
289.08545	1.4
291.06573	1.5
291.10120	0.9
293.04803	0.5
294.05194	1.5
295.06161	2.2
296.06656	0.9
297.07745	0.8
299.06873	0.7
300.07819	1.1
301.08517	1.1
302.05704	0.9
303.06473	3.3
304.07401	1.4
305.04611	1.0
305.07983	1.2
307.06055	2.1
309.07690	0.8
310.05109	0.5
313.04825	0.6
313.08472	0.8
315.06519	1.9
315.10120	0.6
316.07394	1.2
317.04489	3.5
317.08176	1.9
318.05426	0.9
318.08899	1.2
319.05948	1.9
319.09756	1.5
320.06854	0.6
321.03891	2.0
321.07477	1.0
322.04800	0.6
322.08328	0.8
323.05539	1.5
326.05560	0.7
327.06488	1.4
327.10107	1.0
328.07230	0.8
329.04562	0.8
329.08087	0.8
331.06015	2.0
331.09656	0.7
332.06784	1.9
333.04025	1.0
333.07608	2.7
334.08145	0.6
335.05457	8.8
335.09164	1.7
337.10776	8.0
338.11951	0.6
339.05377	0.8
341.04315	0.6
341.08075	1.0
342.09061	0.6
344.06705	2.6
345.07544	2.5
345.11362	1.5
346.08350	2.5
347.05399	1.4
348.06427	1.3
349.07098	1.0
349.10934	0.6
350.04092	0.7
350.07867	6.4
351.04791	0.6
351.08710	1.5
355.05484	0.6
355.09668	1.2
356.06525	0.5
359.05258	0.6
359.13065	0.7
360.06018	0.7
361.03323	1.9
361.07220	1.0
362.08038	0.7
363.08682	2.6
363.22098	0.9
364.09396	1.6
365.06577	0.9
368.05249	3.0
372.06174	1.1
373.06964	1.2
373.10794	1.9
374.07880	2.0
381.06076	1.4
381.23270	1.0
385.10681	0.6
387.12277	1.7
389.06516	0.9
391.07553	2.6
391.12021	1.8
397.10583	0.8
406.08368	0.7
407.07538	0.8
409.09219	13.3
411.10468	0.6
413.10532	1.2
415.11813	4.5
423.24515	0.6
433.12592	1.5
435.07007	0.8
439.10132	2.4
441.09738	1.2
461.06549	0.7
469.05402	0.9
479.03000	0.7
482.09875	0.7
483.07425	0.5
485.05054	2.0
497.04865	3.1
498.09326	1.4
508.08273	2.3
509.08871	1.0
511.06454	0.6
519.63275	0.5
521.12128	1.3
525.07910	0.6
526.08832	10.6
539.13153	2.6
543.28357	1.0
544.09680	1.0
549.11676	3.9
557.14209	3.1
567.12799	10.4
567.29779	1.0
585.13861	100.0
585.29169	3.1
586.14294	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26272	5.1
55.05507	5.6
57.07066	17.0
58.09678	4.8
60.01550	4.9
67.05495	9.7
69.07049	12.4
70.06584	8.4
71.06174	14.6
79.05487	14.2
81.07048	21.5
85.06538	5.1
91.05474	22.3
93.07034	31.3
95.04948	6.6
95.08626	21.1
105.07031	38.4
107.08577	20.3
109.06453	5.4
109.10134	9.7
117.06985	10.8
119.08554	60.7
121.10128	15.3
123.08035	8.5
129.06967	11.9
131.08577	26.3
133.10127	25.9
135.08038	9.0
135.11687	9.2
142.07747	10.7
143.08575	20.9
145.10132	27.9
147.07988	7.1
147.11775	10.5
151.07524	5.2
155.08562	11.2
156.09276	5.0
157.10118	37.2
159.11623	23.5
161.13202	6.2
165.09091	20.6
167.08498	5.3
169.10097	11.8
171.11681	21.6
173.09612	6.6
173.13197	15.9
175.11180	6.7
175.14757	9.5
181.10141	8.9
181.12166	6.5
182.10922	7.6
183.11710	12.6
185.13260	8.8
187.14870	6.4
189.12730	5.6
191.14400	4.6
193.10147	6.4
193.12157	5.3
195.11736	6.5
197.13272	19.0
201.12770	6.2
203.14305	9.9
207.11668	6.1
208.14438	5.9
209.13272	10.5
211.14824	7.0
220.12515	5.4
221.15364	41.8
223.14883	6.2
225.16180	6.7
234.16058	6.2
239.18091	5.0
247.16968	8.2
256.26248	7.9
299.20065	6.9
300.29037	7.0
311.29474	17.4
325.21533	8.6
352.23947	52.9
365.24557	10.1
412.29651	14.1
438.31284	13.8
491.35263	9.5
492.35568	5.3
504.29080	8.6
504.35941	100.0
584.42316	26.2
584.56158	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.5
57.07063	7.4
67.05480	9.9
69.07053	8.3
70.53800	2.3
71.08649	2.6
71.50638	3.1
71.50957	2.8
79.05477	10.7
81.07069	15.0
85.06577	4.1
91.05476	18.5
93.07044	25.3
95.04942	7.0
95.08591	19.3
97.06494	4.8
105.07023	37.6
107.08598	16.8
109.06487	8.2
109.10141	10.6
111.08013	2.6
117.07000	10.7
119.07803	3.4
119.08572	46.5
120.09485	3.5
121.10130	11.7
123.08023	6.6
125.05916	2.6
125.71706	2.6
128.06146	4.9
129.06987	9.0
130.07730	5.3
131.08551	21.8
133.10138	23.0
135.08015	5.2
135.11681	7.5
137.09612	6.5
142.07730	8.0
143.08560	21.5
144.09282	4.8
145.10126	34.3
147.08026	11.1
147.11702	7.3
149.09608	6.5
149.13182	3.3
151.07529	6.4
153.06990	3.7
155.08516	5.9
156.09306	6.2
157.08907	5.2
157.10097	33.9
158.10828	3.0
159.11691	20.5
161.09663	7.6
161.13243	4.4
163.11128	6.0
165.09103	16.7
168.09323	3.5
169.10103	9.6
170.10880	7.0
171.11670	20.9
172.12428	4.0
173.11908	2.9
173.13261	10.3
175.11157	9.8
175.14821	8.0
181.10089	9.6
181.12180	7.4
182.10980	2.9
183.11711	15.9
185.13258	9.9
187.14809	3.3
189.12706	6.0
190.13416	4.0
193.09940	3.8
193.12276	5.0
194.10852	5.6
195.11678	9.8
196.12437	4.9
197.13263	10.4
198.13777	3.3
199.11122	3.1
199.14824	4.8
201.12682	4.1
201.16466	2.9
203.14305	10.0
207.11737	6.0
207.13786	7.2
208.14520	5.8
209.13203	11.7
211.14705	6.6
215.14218	2.7
221.13303	5.2
221.15332	42.6
222.15958	2.6
223.14787	10.1
225.16214	3.6
227.14375	3.2
229.15811	3.1
234.16139	7.8
235.14691	5.1
236.15268	3.1
237.12671	3.9
237.16412	5.0
247.16971	8.3
249.16377	4.4
286.18936	3.4
287.19974	3.9
297.21588	2.8
299.20059	9.4
300.29068	6.1
311.29401	9.0
312.20779	2.9
325.21545	10.8
337.21521	6.2
351.81467	3.1
352.19901	4.5
352.23935	54.0
365.24713	12.0
383.25320	3.7
391.25711	3.1
398.28137	6.3
404.30670	6.2
411.28476	3.8
412.29593	11.5
438.31177	12.3
489.33511	6.0
490.34445	3.6
491.34964	11.8
492.35455	5.9
504.35977	100.0
566.40833	3.9
584.42023	27.3
584.56097	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	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48046	0.6
54.87947	0.5
55.05495	0.6
57.03429	0.9
69.03410	1.5
69.88190	1.5
69.88613	1.6
71.04990	8.1
73.02913	0.8
79.05506	0.7
81.03437	0.6
81.07049	1.2
83.04967	1.6
84.02319	0.5
85.02422	0.7
85.02896	8.9
91.05460	1.8
93.07032	1.6
95.04943	0.7
95.08549	0.6
97.02889	1.3
99.04489	0.5
105.07017	0.7
107.04935	1.6
107.08536	0.6
109.02865	0.7
111.04409	0.7
115.05452	1.1
116.06271	0.5
117.05499	0.8
117.06969	0.9
121.06461	0.7
121.10126	0.7
122.00912	0.5
127.03890	1.0
128.06206	1.2
128.20125	0.6
129.05481	1.5
129.06981	4.1
131.04904	1.3
131.08548	4.4
133.06447	1.1
133.10143	1.3
137.05943	1.5
141.06964	1.7
142.07791	0.7
143.08537	0.9
144.05682	2.1
145.06476	3.2
145.10007	0.6
146.07211	0.7
147.04359	0.6
147.06509	0.6
149.05981	0.6
151.11203	0.6
157.06464	2.3
157.08563	0.7
158.07234	1.4
159.08038	9.2
161.05974	1.9
161.09599	2.8
163.05992	1.6
163.07434	0.5
164.09183	0.6
167.07048	4.0
169.06380	0.9
169.07634	0.9
170.07265	2.0
171.08051	2.2
172.05110	1.0
173.05931	1.4
173.09605	1.6
175.07538	1.7
177.05504	1.3
181.08450	0.6
186.06758	0.5
187.07526	7.9
188.08299	0.6
189.05321	0.7
189.09090	4.5
191.06961	0.7
193.08603	0.5
199.07527	0.8
200.08034	0.5
201.09135	2.2
203.07013	2.3
204.07829	4.0
205.08626	1.4
215.07297	0.5
216.07820	1.8
217.08720	0.6
219.10110	4.1
221.08057	0.8
221.11723	2.0
231.10149	2.9
233.11702	8.7
237.11375	0.7
249.11211	100.0
250.11580	1.4
251.12764	6.2
265.10709	0.5
267.12274	4.9
273.13339	0.7
285.72937	0.6
299.82040	0.5
308.05933	0.5
311.27121	0.5
315.12357	0.8
351.21619	0.7
357.13330	3.0
361.16721	0.7
375.14233	1.5
477.05399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.9
53.69683	3.6
55.05500	18.2
57.07056	7.9
67.05492	27.8
68.79906	3.3
69.03414	12.3
69.07059	18.8
71.04987	5.6
71.63196	6.3
79.05494	24.1
81.07054	36.5
83.04973	13.3
83.08597	18.8
85.02865	6.7
85.06526	8.2
91.05462	38.7
93.07037	51.9
95.04965	11.0
95.08604	42.8
97.06537	17.8
99.04428	6.0
105.07017	70.1
106.76489	3.3
107.04947	5.3
107.08579	55.3
109.06493	10.3
109.10123	30.1
113.09659	7.6
117.06991	10.9
119.08560	71.9
121.06525	8.1
121.10140	54.1
123.08068	11.3
123.11707	6.6
125.09619	8.5
128.06194	9.1
129.07025	11.8
130.07814	5.5
131.08560	33.5
133.10114	41.7
135.08014	7.5
135.11697	16.2
137.09668	5.5
139.11134	4.9
141.06975	5.3
142.07770	22.7
142.67902	4.3
143.08548	38.3
144.09355	5.1
145.10109	52.9
147.08043	7.0
147.11659	23.1
149.09622	8.1
149.13239	4.6
151.07549	4.7
155.08568	18.5
155.10657	13.3
156.09341	12.9
157.10114	48.7
159.11670	35.9
161.13254	5.3
163.11185	8.7
165.09135	15.2
167.08565	10.4
167.10674	16.6
168.09340	6.1
169.10138	25.1
170.10896	8.8
171.11656	32.1
173.13286	16.8
175.11223	5.4
175.14830	8.7
179.08626	9.8
179.14299	4.9
180.09311	5.0
181.10149	13.8
181.12279	16.4
182.10933	9.6
183.11687	25.2
184.12282	4.7
185.13234	19.2
187.14833	11.2
189.12717	6.0
191.14294	6.8
193.10147	16.3
194.10960	7.2
195.11668	24.9
196.12366	6.1
197.13257	31.2
199.14822	20.2
201.16429	8.2
203.14270	6.6
205.10193	5.2
206.10892	5.5
207.11758	20.1
207.13487	4.1
208.12505	5.2
209.13226	27.3
210.13753	4.8
211.14818	13.4
217.15810	7.4
219.11693	7.1
220.12430	8.1
221.13193	10.7
221.15366	33.7
222.13913	5.8
223.14766	10.9
225.14737	8.2
231.11676	5.0
232.12579	5.5
233.13202	10.5
233.15388	17.5
234.14133	4.9
235.14757	11.4
237.16342	8.9
245.13242	5.7
246.13989	8.7
247.14815	8.4
247.17036	5.1
249.16353	9.9
251.17973	8.5
253.19542	5.4
259.14841	4.7
261.16309	8.3
263.17944	10.7
265.19604	8.4
275.17755	5.5
277.19635	8.3
283.20557	13.7
289.19443	5.4
349.25314	6.6
357.25534	4.6
363.26715	5.3
397.28763	7.7
491.35019	6.7
517.58466	4.6
565.40338	42.0
583.16394	5.1
583.32404	6.4
583.41382	100.0
584.41687	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.05511	16.2
57.07077	14.5
59.04998	6.2
65.03931	2.1
66.41745	1.7
67.05504	29.6
69.02798	1.6
69.03419	7.1
69.07059	22.5
69.61310	1.8
69.61651	15.9
71.04983	1.9
79.05492	26.8
81.07052	40.1
82.50829	1.7
83.04980	9.3
83.08620	10.1
84.72092	2.2
85.06530	7.7
89.31754	2.0
91.05471	50.0
93.06461	3.7
93.07045	58.8
95.04964	12.6
95.08604	42.7
96.50326	2.0
97.06529	5.5
97.10141	2.0
103.05470	4.6
105.07024	81.7
107.08591	54.2
107.09274	1.3
109.06508	10.2
109.10154	24.0
111.08067	3.3
115.05466	7.6
115.60546	1.9
116.06217	2.2
117.07007	18.6
119.08575	96.3
121.06521	8.1
121.10141	50.4
123.08063	14.3
123.11708	6.1
124.44010	2.1
125.05988	3.6
128.06190	13.3
129.07014	20.1
130.07787	7.3
131.08566	41.9
131.09512	2.9
133.06451	2.9
133.10132	40.2
135.08040	10.7
135.11687	16.9
137.09599	14.0
137.63933	2.0
139.11194	2.9
141.06978	7.0
142.07779	25.5
143.08556	48.4
144.09352	7.6
145.10117	55.8
147.08064	13.7
147.11694	22.8
149.09613	5.7
149.13287	2.4
151.07516	16.7
153.07010	4.7
154.07808	4.0
155.08530	18.3
156.09358	23.0
157.10118	64.1
158.10922	7.6
159.08063	3.7
159.11684	31.4
160.12373	2.0
161.09613	10.2
161.13263	9.1
163.11183	8.8
165.07040	10.2
165.09088	34.1
166.07895	4.2
167.08580	11.2
167.10635	13.0
168.09352	11.0
169.10123	36.4
170.10872	11.6
171.11674	37.2
172.12396	2.9
173.09663	3.5
173.13254	29.1
175.11163	5.1
175.14845	8.6
177.09250	2.3
179.08545	19.3
180.09401	6.9
181.10091	18.4
181.12241	6.9
182.10886	12.8
183.11678	37.2
183.18915	2.0
184.12474	7.6
185.09624	2.6
185.13214	21.1
187.11197	5.9
187.14819	7.7
189.12787	7.9
191.14359	9.0
192.09285	3.9
193.10132	21.1
194.10876	14.9
195.11687	27.4
196.12482	7.2
197.13251	27.2
198.14030	3.9
199.11089	3.0
199.14825	17.8
201.12773	3.4
201.16473	4.5
203.14291	15.5
205.10141	4.4
205.16052	2.4
206.10851	11.1
207.11723	22.8
207.13824	6.3
208.12511	7.3
209.13255	33.5
210.13991	4.4
211.11223	2.1
211.14772	15.4
212.15453	2.3
213.12744	4.4
217.10161	4.3
217.15874	10.1
218.10928	5.4
219.11754	11.1
220.12515	9.2
221.13245	19.8
221.15414	59.1
222.14043	5.9
223.14856	19.2
224.15707	2.3
225.16405	6.5
227.14302	4.7
229.10112	3.2
229.15945	2.4
231.11703	8.5
231.17410	4.1
232.12425	5.1
233.13257	10.2
233.15402	7.7
234.13994	5.2
235.14748	10.4
236.15587	3.6
237.16394	13.3
239.14244	2.0
239.17973	2.6
241.15831	2.6
243.11740	3.0
243.17476	2.5
245.13248	11.0
246.14096	6.7
247.14693	11.6
247.17010	2.9
248.15579	4.3
249.16406	8.0
251.18004	7.4
253.15929	3.1
255.17548	2.4
257.19138	6.3
258.14047	2.3
259.14828	8.1
260.15631	5.6
261.16324	9.8
262.17316	2.1
263.18005	7.3
265.16147	1.9
265.19534	9.4
269.19037	5.3
271.14670	3.5
271.20508	2.4
273.16431	5.9
275.17773	12.7
276.18539	2.7
277.19495	6.1
279.21158	2.2
283.20529	14.5
286.19189	3.2
287.17700	2.8
289.19543	3.1
293.19122	2.9
295.20593	5.7
297.22159	7.1
301.19360	3.3
303.21207	4.4
305.22800	2.1
307.20557	2.9
315.20981	4.1
316.21457	2.4
331.24237	7.7
335.23993	2.1
349.25262	8.2
357.25861	4.6
375.26907	7.7
403.30042	4.5
491.35233	6.8
501.86792	2.5
503.35065	3.8
547.39166	3.4
565.40314	19.0
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.93795	0.9
55.01869	1.0
55.05505	11.9
57.07077	6.8
59.04998	2.2
65.03941	3.7
67.05500	15.7
69.03427	6.4
69.07067	14.8
70.69409	3.2
71.04987	1.2
75.24223	0.9
77.03944	1.3
79.05490	17.4
81.07053	26.1
83.04987	5.3
83.08606	7.0
85.06554	3.9
89.85274	0.8
91.05477	33.2
93.07045	43.5
95.04963	9.3
95.08602	28.6
97.06535	4.7
98.20781	1.0
103.05481	2.3
105.07026	52.1
107.05019	1.1
107.08589	40.5
109.06506	7.9
109.10151	15.2
111.08100	2.4
111.11713	1.3
113.09644	1.0
115.05437	4.8
116.06212	2.2
117.06996	12.8
119.08576	54.7
120.08908	1.1
121.06500	4.1
121.10136	43.5
121.11023	2.1
122.07264	1.1
123.08075	15.2
123.11704	5.6
124.20680	1.2
125.05995	2.1
125.09660	2.7
128.06219	7.3
129.07005	12.1
129.50731	1.0
130.07791	4.6
131.08562	27.2
133.06448	2.6
133.07458	1.2
133.10127	31.2
135.08055	6.6
135.11682	10.8
137.09592	7.7
139.07591	1.3
139.11174	2.6
141.07014	4.5
142.07776	17.0
143.08556	31.2
144.09315	6.3
145.06398	1.1
145.10118	39.6
147.08025	8.6
147.11685	10.8
149.09608	8.3
149.13216	2.0
151.07553	11.6
151.11160	1.5
152.06250	1.3
153.07005	3.1
153.09158	1.1
154.07765	2.3
155.08562	11.1
155.10606	2.6
156.09337	12.9
157.10114	41.3
158.10886	6.0
159.08043	4.9
159.11690	22.2
159.13017	1.3
161.09624	5.5
161.13254	5.9
163.11185	6.4
165.07054	5.1
165.09116	14.3
166.07813	3.4
167.08601	9.0
167.10667	27.0
168.09325	7.5
169.10123	20.1
170.10880	6.1
171.11690	24.8
172.12471	1.4
173.09685	2.8
173.13249	17.6
175.11180	3.7
175.14822	7.7
177.09061	1.9
177.12715	1.2
179.08557	11.9
179.10768	1.4
180.09364	4.5
181.10103	13.1
181.12263	3.7
182.10890	7.3
183.11684	20.2
184.12500	4.1
185.13254	14.0
187.11183	1.6
187.14799	5.7
189.12720	7.6
191.14310	5.4
192.09415	3.3
193.10133	11.2
194.10881	7.9
195.11690	18.9
196.12474	4.5
197.13254	15.2
198.14053	1.6
199.11201	2.8
199.14828	11.4
201.12762	1.6
201.16422	3.0
203.08522	1.1
203.14217	6.8
204.09354	1.3
205.10182	2.7
205.15948	1.5
206.10916	4.9
207.11732	14.9
207.13821	5.0
208.12434	5.8
209.13264	21.2
209.15150	1.2
210.13997	3.3
211.11205	1.8
211.14789	9.2
213.12721	2.0
213.16411	3.6
215.14333	3.2
216.14574	1.0
217.10173	2.8
217.15897	5.6
218.10930	2.3
219.11610	5.4
220.12482	4.8
221.13257	13.4
221.15417	23.7
222.14044	4.2
223.11369	1.1
223.14803	10.4
224.15540	1.3
225.12859	1.3
225.16389	5.3
227.14259	2.6
227.17917	1.5
229.16006	1.3
230.10945	1.6
231.11722	4.0
231.17438	2.5
232.12495	3.3
233.13235	7.3
233.15421	8.6
234.14029	2.9
235.14787	10.3
236.15550	3.0
237.16408	5.7
239.18010	3.4
241.19296	1.1
243.11670	1.3
243.17461	1.8
244.12540	2.1
245.13339	5.7
246.14043	3.0
247.14839	7.5
247.17032	1.8
248.15651	2.2
249.12689	1.2
249.16452	6.2
251.14223	1.3
251.17981	6.5
253.15929	2.2
253.19495	2.1
255.17326	1.2
257.13251	2.7
257.18964	5.1
258.14032	1.3
259.14822	3.6
260.15604	2.9
261.16336	7.0
262.17068	1.4
263.17905	4.3
265.19608	6.0
267.17526	2.0
269.13419	1.6
269.18942	6.1
271.14755	2.0
271.20511	2.3
272.15512	1.6
273.16296	4.9
275.17801	6.6
277.16177	1.2
277.19589	3.5
279.17621	1.4
279.21124	2.6
281.19037	2.0
283.20535	9.9
285.18915	1.8
285.22156	1.3
287.17883	2.7
289.19574	3.0
291.21100	1.1
293.19080	1.7
295.20584	3.8
297.16272	1.1
297.22110	1.9
299.17490	1.2
299.20413	1.5
301.19269	1.7
303.21078	2.2
307.20667	1.6
313.21967	1.3
315.21112	1.9
317.22635	2.1
319.20682	1.2
331.24225	2.6
335.23657	2.2
343.24051	1.3
347.23553	2.2
348.24405	1.3
349.25342	4.3
357.25684	1.8
361.25027	2.3
375.26773	3.1
385.28934	1.4
403.29837	5.0
415.30008	1.3
481.35046	1.1
491.35059	2.4
509.34161	1.7
527.35486	1.2
547.39191	5.0
565.40399	19.8
566.41211	1.3
583.41418	100.0
584.41870	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87070	1.6
51.45857	1.7
53.03943	2.9
55.05507	18.6
57.07067	10.4
59.04999	3.3
65.03931	3.1
67.05501	26.8
68.90296	1.5
69.03423	6.8
69.07061	25.0
69.39961	6.0
69.40389	11.4
71.04991	2.7
77.03973	2.4
79.05486	27.3
81.06574	3.0
81.07048	39.1
83.04973	11.7
83.08633	13.0
85.06534	7.3
91.04898	1.9
91.05470	44.1
93.07035	64.1
94.07314	1.9
95.04958	15.1
95.08605	37.3
97.06536	8.3
103.05459	4.4
105.04497	2.8
105.07021	74.0
107.04964	3.2
107.08587	50.9
109.06533	12.3
109.10149	23.9
110.67015	1.6
111.08092	2.7
113.09637	1.7
115.05446	5.9
116.06242	2.1
117.07014	15.8
119.08573	92.0
121.06535	5.6
121.10132	59.4
123.08070	14.7
123.11675	9.6
125.05981	2.8
125.09621	3.5
128.06200	13.9
129.07024	14.9
130.07780	8.1
131.08551	38.9
133.06479	3.4
133.08611	2.5
133.10118	43.7
133.11076	3.2
135.08058	9.5
135.11713	15.3
137.09592	11.5
139.11176	3.8
141.07001	8.1
142.07780	27.2
143.08548	38.1
144.09337	4.9
145.10114	58.1
146.02573	1.5
147.08006	8.9
147.11676	18.1
149.09656	9.1
149.13313	5.2
151.07524	8.4
151.11267	2.1
153.07021	4.6
154.07771	3.6
155.08563	18.1
155.10602	2.8
156.09325	16.0
157.10117	55.8
158.10905	9.1
159.08081	5.4
159.10390	3.7
159.11671	35.3
161.09612	7.2
161.13275	7.9
163.11192	7.1
165.06987	4.5
165.09102	14.1
166.07832	3.0
167.08594	12.4
167.10664	38.6
168.09348	8.5
169.10112	29.0
170.10976	8.8
171.08023	2.3
171.11661	29.0
172.12471	2.8
173.09723	4.4
173.13260	31.2
175.11176	6.5
175.14781	11.3
177.12772	2.8
179.08553	13.1
180.09380	6.4
181.10071	15.8
181.12231	5.2
182.10912	8.4
183.11670	27.7
184.12442	7.0
185.09731	2.5
185.13234	19.1
186.14133	2.0
187.11177	3.2
187.14830	11.2
189.12766	6.1
191.14314	9.5
192.09389	3.0
193.10155	15.0
194.10883	13.0
195.11667	22.9
196.12477	7.4
197.13213	23.1
197.14743	2.2
198.14009	3.0
199.11151	2.2
199.14810	28.4
201.12857	2.4
201.16411	6.5
203.08586	2.7
203.14249	8.0
204.09320	2.9
205.10124	5.9
206.10826	9.5
207.11707	17.2
207.13779	6.9
208.12495	6.3
209.13260	28.7
210.14053	5.4
211.11208	2.6
211.14778	14.1
213.12733	2.7
213.16377	4.8
215.14346	5.0
217.10184	3.1
217.15866	23.2
218.10878	2.7
219.11795	5.8
220.12480	8.1
221.13258	14.4
221.15408	25.5
222.13991	4.0
223.14754	18.9
225.12869	2.4
225.16423	7.5
227.14278	4.3
229.15872	2.5
231.11688	5.6
231.17381	2.3
232.12485	3.2
233.13252	12.0
233.15424	15.0
234.14038	5.7
235.14825	11.0
235.16876	2.4
236.15524	2.8
237.12746	2.2
237.16316	9.8
239.17963	4.1
241.19670	2.3
243.11841	4.5
244.12486	2.9
245.13239	6.3
246.13992	4.7
247.14838	9.1
247.17038	2.2
248.15483	2.3
249.16418	10.1
250.17143	3.7
251.18037	6.5
253.16005	2.7
255.17566	2.2
257.13312	2.3
257.19052	6.4
259.14847	7.1
260.15570	5.1
261.16425	6.6
262.17154	2.0
263.17911	7.4
265.16180	2.0
265.19559	6.2
269.19006	3.3
270.13751	1.9
271.14780	3.5
271.20520	2.3
273.16440	5.3
274.17261	2.2
275.17856	9.5
277.19608	5.9
279.21109	2.3
281.19055	3.8
283.20587	14.6
285.16370	2.6
287.17722	2.0
289.19507	3.5
291.20990	1.9
292.18546	1.9
295.20667	4.5
299.20175	2.4
301.19186	2.8
315.21008	3.2
329.22897	2.0
331.24261	4.3
333.22000	2.3
343.24213	2.6
347.23523	2.8
349.25247	6.3
357.25775	3.9
361.25061	3.3
375.26797	3.8
403.29764	2.9
443.29080	2.3
491.34943	5.7
509.34387	2.4
547.39227	2.9
565.40302	19.4
583.41425	100.0
584.41913	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	1.4
55.05509	14.8
57.07072	11.5
59.04991	4.1
65.03928	4.2
65.31676	1.0
67.05502	23.3
69.03435	7.1
69.06712	1.4
69.07063	17.2
69.31187	13.6
75.82195	1.3
77.03902	1.2
79.05488	24.4
81.03425	1.3
81.07054	31.0
83.04980	8.2
83.08617	8.1
85.06541	6.1
91.05474	44.3
93.07040	56.9
95.04968	12.5
95.08602	33.6
95.09038	0.7
95.09219	1.4
97.06539	5.5
103.05447	4.4
105.07027	74.4
107.08590	46.6
107.09148	0.9
109.06496	9.8
109.10155	22.4
111.08073	3.0
111.11699	1.6
115.05454	5.5
116.06249	2.6
116.66060	1.1
117.07011	17.1
119.04938	1.7
119.08576	85.3
120.08932	1.3
121.06496	6.3
121.10143	48.1
121.11021	2.4
123.08062	17.3
123.11729	6.2
125.05993	3.2
125.09647	3.6
128.06215	12.5
129.07002	19.9
130.07822	7.0
131.08566	36.3
133.06454	3.0
133.07468	1.2
133.10127	36.7
135.08055	13.6
135.11687	14.1
137.05901	1.3
137.09610	9.0
139.07547	2.0
139.11205	1.8
141.06952	8.7
142.07779	24.4
143.08559	40.9
144.09363	8.9
145.06479	3.0
145.10118	58.1
146.10500	1.2
147.08049	16.2
147.11703	17.2
149.09612	7.5
149.13237	3.2
151.07523	14.1
152.06210	1.8
153.06998	5.2
153.09090	1.3
154.07780	3.5
155.08543	19.3
156.09338	19.4
157.10130	59.3
158.10913	10.9
159.08055	3.5
159.11687	29.8
161.09602	8.8
161.13229	7.9
163.11189	7.5
163.14815	1.6
165.07005	7.4
165.09103	34.6
166.07755	3.4
167.08594	11.3
167.10663	10.2
168.09335	10.4
169.10121	32.8
170.10904	11.4
171.08014	1.2
171.11699	34.6
172.00148	1.1
172.08818	1.4
172.12422	2.1
173.09601	3.4
173.13257	23.9
175.11156	5.4
175.14832	9.4
178.07735	2.7
179.08534	15.7
180.09294	7.6
181.10136	17.9
181.12079	7.2
182.10912	10.5
183.11684	35.2
184.12399	5.2
185.09593	1.5
185.13277	17.5
187.11176	2.3
187.14803	8.0
189.12756	8.4
191.08620	2.1
191.14296	10.4
192.09328	6.5
192.62794	1.2
193.10146	17.6
193.11916	1.9
194.10924	14.0
195.11694	25.2
196.12427	8.7
197.11447	1.8
197.13245	24.1
198.13976	2.3
199.11156	2.6
199.14807	16.7
201.12773	3.2
201.16357	2.2
203.08572	1.7
203.14326	14.3
204.09303	2.5
205.10150	5.5
205.15973	1.3
206.10899	7.8
207.11717	22.5
207.13806	7.3
208.12436	8.9
209.13264	33.9
209.15279	2.9
210.13985	4.5
211.11240	2.4
211.14799	12.6
213.12746	3.7
213.16368	2.3
215.14308	2.4
217.10141	3.9
217.15788	11.8
218.10820	2.7
219.11720	7.5
220.12468	6.8
221.13260	20.1
221.15401	69.9
222.13969	4.5
222.15874	1.8
223.14793	17.7
224.15578	4.2
225.12813	2.9
225.16353	6.5
226.13545	1.3
227.14366	2.7
227.18044	1.4
229.10229	1.7
229.15912	1.2
230.10864	1.9
231.11687	5.4
231.13765	2.2
231.17412	2.6
232.12466	4.1
233.13245	11.0
233.15421	5.1
234.14061	3.6
235.14822	12.4
235.16936	1.8
236.15584	2.4
237.12704	2.2
237.16374	9.7
239.14334	3.0
239.17902	5.8
241.15878	1.8
243.11703	2.3
243.17448	1.3
244.12447	2.6
245.13284	7.8
246.14064	4.7
247.14819	10.4
247.17039	3.0
248.15559	3.5
249.16380	11.6
250.17136	3.1
251.14255	1.5
251.17972	4.6
253.15823	1.9
253.19453	2.1
255.17357	2.3
257.13324	4.8
257.18982	8.7
258.14081	2.4
259.14856	7.1
260.15594	4.9
261.16318	10.6
262.17023	2.5
263.17960	7.5
264.18625	1.3
265.16077	1.7
265.19565	10.0
267.17538	2.3
269.19012	4.8
271.14685	2.5
271.17368	1.3
271.20474	2.1
272.15649	2.7
273.16446	4.5
274.17233	3.7
275.17841	13.2
276.18503	1.4
277.19476	4.6
279.21210	2.8
281.19122	2.9
283.20554	16.4
284.15649	1.3
285.16104	2.6
286.19418	2.3
287.17642	2.8
287.20114	3.9
289.19528	4.7
290.20078	1.3
291.17850	1.4
291.21021	2.6
293.18945	1.9
295.20584	4.0
297.16354	1.9
297.22195	4.9
300.20883	3.6
301.19455	3.7
303.20981	1.8
305.22726	1.3
307.20486	2.0
315.21127	1.9
317.22766	1.9
325.19370	1.5
327.21176	1.4
329.22632	2.4
331.20767	1.7
331.24188	6.5
333.22281	2.5
335.23666	1.9
341.22452	1.7
343.24246	1.8
347.23935	1.9
348.24368	1.4
349.25113	9.8
352.23862	2.3
357.25787	2.1
359.23785	2.0
361.25165	2.2
365.24573	3.1
375.26855	7.2
385.28812	1.5
401.28424	2.0
403.30136	5.8
409.29312	1.2
416.58990	1.1
491.35138	4.7
503.35205	4.9
509.34268	2.6
531.95245	1.2
547.39539	3.1
565.40375	24.3
566.40771	1.7
583.41418	100.0
584.41864	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75793	1.3
53.03941	2.6
54.62259	1.3
55.05497	7.8
57.07076	6.8
57.21507	1.1
65.03953	2.0
67.01366	1.3
67.05504	10.6
69.03427	4.6
69.07064	12.4
71.51089	2.6
74.47023	1.2
77.03960	1.4
79.05482	15.0
81.07053	22.2
81.07511	2.3
83.04982	4.6
83.08606	3.8
85.06529	4.3
88.50749	1.4
91.05469	27.1
93.07035	32.4
95.04933	8.4
95.08591	21.7
97.06548	2.1
103.05458	3.4
105.07024	42.0
107.08584	26.6
109.06525	5.0
109.10148	11.0
111.08078	1.8
115.05455	4.3
116.06260	1.9
116.61383	1.3
117.07040	8.0
119.08567	45.4
121.06491	3.2
121.10132	29.3
123.08054	12.7
123.11707	2.7
127.98795	1.6
128.06207	6.1
129.06976	10.7
130.07784	4.8
131.08560	17.6
133.06491	2.3
133.10127	20.4
135.08046	7.5
135.11671	7.0
137.09599	6.0
138.82986	1.3
139.11153	2.3
141.07022	5.3
142.07753	14.5
143.08560	22.9
144.09331	3.9
145.10112	25.7
147.08035	11.2
147.11694	10.6
149.09610	3.6
149.13315	3.0
151.07529	10.3
153.07027	2.7
154.07748	2.8
155.08586	7.8
156.09317	9.6
157.10117	30.6
158.10922	6.4
159.08041	3.7
159.11670	17.2
161.09601	3.4
161.13286	5.4
163.11121	3.3
165.06975	4.2
165.09088	19.0
166.07780	1.9
167.08537	5.6
167.10687	7.6
168.09383	3.7
169.10109	17.5
170.10918	5.4
171.11667	21.9
172.12558	1.2
173.09683	2.1
173.13231	16.1
175.11182	4.0
175.14803	4.0
179.08510	8.6
180.09363	4.5
181.10133	9.1
181.12268	6.6
182.10912	5.6
183.11674	19.1
183.65311	1.3
184.12544	3.2
185.13260	15.7
187.11229	2.0
187.14809	2.5
189.12762	4.1
191.08672	1.6
191.14275	8.4
192.09338	1.8
193.10098	9.1
194.10922	7.7
195.11700	15.1
196.12440	4.2
197.13258	14.1
199.11237	1.8
199.14793	11.0
201.16560	1.9
203.14294	9.8
205.10081	2.1
206.10902	3.2
207.11688	11.4
207.13794	5.9
208.12474	5.1
209.13254	20.4
210.14003	2.8
211.11041	2.1
211.14847	5.9
212.15477	1.5
213.12866	2.6
213.16386	2.9
215.14468	1.7
217.10130	2.2
217.15944	7.2
219.11726	6.3
220.12401	3.8
221.13239	10.3
221.15392	45.2
222.13795	3.0
223.14796	12.4
225.16351	5.9
227.14363	2.6
231.11848	2.9
232.12540	2.3
233.13248	5.8
233.15227	2.9
234.13991	3.0
235.14793	7.9
236.15498	2.4
237.16412	4.1
239.14455	1.8
239.17859	2.3
243.17442	2.5
244.12570	1.7
245.13310	6.0
246.13879	2.1
247.14828	5.6
247.17094	2.3
248.15602	3.3
249.16455	4.7
251.17868	3.0
255.17424	2.3
257.18997	6.5
258.14084	2.7
259.14859	5.7
260.15570	3.8
261.16400	7.3
263.17953	4.2
265.19510	5.9
269.19049	5.0
271.14810	2.2
273.16312	2.1
274.17075	1.8
275.17877	6.8
277.19547	3.8
279.21173	2.2
281.18927	2.4
283.20520	11.0
287.20294	2.0
291.20972	1.6
293.19186	1.7
295.20657	3.0
297.22189	4.2
301.19345	2.1
309.22012	1.6
315.20905	2.5
321.22131	1.8
331.24237	3.7
343.24130	1.6
347.23865	2.5
349.25449	4.5
357.26233	2.0
361.25061	1.9
365.24872	2.1
375.26758	5.0
403.30048	5.4
491.35226	3.3
503.35260	3.8
509.34293	2.0
547.39392	2.7
565.40387	21.1
583.41394	100.0
584.41870	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05508	4.9
57.07069	5.1
59.04988	2.7
65.03939	1.1
67.05501	7.4
69.03408	4.1
69.07060	5.2
70.76116	1.3
70.76454	1.3
79.05482	8.0
81.03390	0.8
81.07059	10.0
83.04983	2.2
83.08614	2.8
85.06527	2.7
91.05463	10.8
93.07039	20.5
95.04956	6.0
95.08594	20.4
97.06532	1.3
103.05466	0.9
105.07024	23.9
107.04929	1.6
107.08592	12.7
107.09301	1.4
109.06509	3.5
109.10133	6.6
111.08057	1.5
115.05421	0.9
117.07005	4.1
119.08577	22.1
121.06512	3.5
121.10143	15.7
123.08055	13.5
123.11682	1.9
125.05992	1.5
128.06245	2.3
129.07001	3.9
130.07796	1.5
131.08549	9.8
133.06496	1.7
133.10112	12.8
135.08032	6.5
135.11681	4.5
137.09618	7.2
139.11131	1.1
141.06995	1.6
142.07755	6.5
143.08543	9.6
144.09340	1.4
145.10117	15.0
147.08043	14.0
147.11630	4.6
149.09613	3.2
150.85097	0.7
151.07541	13.5
155.08556	5.2
156.09329	6.7
157.10118	21.6
158.10881	2.3
159.08084	1.6
159.11674	11.4
161.09673	2.0
161.13245	3.2
163.11212	2.6
165.07022	1.5
165.09091	27.4
166.58568	0.7
167.08578	3.6
167.10712	1.4
168.09331	2.3
169.10103	6.1
170.10899	3.8
171.11690	12.9
173.09639	1.1
173.13235	5.3
175.11098	1.9
175.14853	3.2
177.12688	1.0
179.08551	3.5
180.09332	1.3
181.10114	4.3
181.12256	2.4
182.10895	3.5
183.11690	8.6
184.12451	1.5
185.13254	8.4
187.11163	1.3
187.14809	3.1
189.12718	4.8
191.14214	1.0
193.10025	4.4
194.10898	2.9
195.11713	7.8
196.12483	2.5
197.13232	9.2
199.14822	3.6
203.14291	11.5
203.97688	0.8
205.10223	1.2
206.10887	2.4
207.11700	5.5
207.13828	5.2
208.12430	3.0
209.13287	9.7
209.15262	1.4
210.13977	1.3
211.14786	5.4
213.12746	0.9
213.16397	2.3
215.14424	1.2
217.15814	0.9
219.11765	2.0
219.17390	1.0
220.12433	1.8
221.13245	5.9
221.15318	45.2
222.13889	2.0
222.15823	1.4
223.14798	7.0
225.12843	1.0
225.16397	2.1
227.14267	1.2
231.11655	1.3
231.17320	1.8
233.13272	3.7
233.15332	1.2
234.13982	1.1
235.14774	4.6
236.15601	1.1
237.16400	2.8
239.17921	1.7
244.12384	1.4
245.13364	1.6
246.13995	1.2
247.14857	2.1
247.17162	1.1
248.15497	1.0
249.16441	3.3
251.18040	2.5
251.58455	0.9
257.13263	1.0
259.14874	2.1
260.15558	1.0
261.16302	1.5
263.17987	2.2
264.18466	0.9
265.19543	2.3
269.18994	1.6
271.20517	1.0
273.16260	1.0
275.17953	2.6
277.19568	1.7
279.21158	2.3
281.19043	1.8
283.20532	3.6
286.19315	0.9
287.20300	1.7
289.19635	1.1
291.21115	1.2
295.20663	2.7
297.22073	4.2
309.22229	1.0
315.20898	1.1
316.22223	0.9
319.24048	1.0
329.22626	1.2
331.24387	1.0
349.25375	2.0
352.24179	1.8
357.25732	2.4
365.24564	1.3
369.50943	1.0
375.26773	5.6
399.28549	1.0
403.29977	6.7
477.16159	0.9
491.34738	0.9
503.35016	3.3
509.34622	1.4
547.39386	1.3
565.40356	25.3
566.41144	2.0
583.41431	100.0
584.41626	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	583.1594
Annotation	2'',3''-Dihydrorobustaflavone 7,4',7''-trimethyl ether
Peak:m/z	Relative Intensity
69.50164	3.5
81.03427	0.5
82.39847	0.4
91.05474	0.4
98.21493	0.9
107.04960	1.4
111.07898	0.4
123.04391	1.1
124.05175	0.5
139.07506	1.0
147.04407	0.7
165.07033	0.6
167.07050	2.2
168.05733	1.9
169.06458	0.5
181.04956	0.4
181.06508	1.3
183.04390	0.7
191.04073	0.4
195.64664	0.4
196.05222	1.5
197.06001	1.0
198.06744	1.2
202.06197	0.5
211.03984	1.0
211.07562	0.9
212.04582	0.4
213.09137	0.5
224.04652	1.9
225.05602	0.7
226.06235	1.9
228.04106	0.5
229.04962	0.7
230.05823	0.8
237.05521	1.0
239.03555	0.6
239.06943	0.8
241.04936	0.8
241.08621	1.0
243.06517	0.5
252.04286	0.7
253.04987	2.6
254.05666	3.0
255.06377	0.7
258.05099	2.0
265.05051	1.1
266.05643	0.5
267.06537	1.7
268.03702	1.1
268.07501	0.5
269.04437	1.9
269.08112	1.4
271.06006	0.7
280.03717	0.7
281.04465	1.1
282.05197	4.5
283.05872	3.4
286.08307	0.9
295.05997	8.6
296.06757	1.5
297.07516	11.3
298.04648	0.6
299.09146	0.5
299.63715	0.4
310.08414	0.5
345.07678	0.8
371.05301	0.5
385.06992	1.0
397.06439	0.6
401.05930	0.6
403.07950	0.5
413.06152	0.7
414.07376	0.7
415.08032	1.0
416.08719	0.7
427.08435	0.6
428.08072	0.5
429.09686	1.6
430.06644	1.1
433.09192	1.5
445.09131	4.5
449.10092	0.7
451.08093	0.6
452.08301	0.9
453.09592	0.6
459.10599	1.0
465.09549	0.6
466.10416	0.7
467.11398	0.8
472.11697	0.8
507.10464	0.5
522.09235	0.5
525.11792	1.1
533.12482	0.6
535.10498	0.8
537.11725	1.9
550.12372	0.6
551.13562	0.9
553.11157	4.5
567.12506	1.4
568.13690	1.8
583.15930	100.0
584.16388	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	583.1586
Annotation	2,3-Dihydrosciadopitysin
Peak:m/z	Relative Intensity
61.29516	0.7
62.20760	0.7
67.05513	0.7
69.03450	0.6
69.07045	0.7
82.73414	0.7
91.05491	1.3
93.07022	0.9
107.04941	1.2
119.04982	0.8
121.10187	0.7
123.04418	1.6
133.02850	1.1
137.02380	1.0
137.05989	1.0
143.31821	0.7
145.10100	0.9
147.04437	1.9
148.91238	0.7
151.03838	1.0
170.15099	0.7
176.04738	1.0
180.06039	0.7
181.04970	1.6
197.06172	0.8
202.06223	0.8
213.05397	0.9
237.05515	0.9
238.06184	0.8
247.07343	0.7
250.06421	0.7
269.04578	0.9
271.05881	1.1
274.27402	6.3
281.07938	0.8
283.06052	0.9
285.07639	1.6
299.09506	1.5
301.68188	0.8
306.56470	0.8
345.07907	1.1
361.07498	0.8
369.07767	0.9
375.08698	1.1
387.08600	1.4
401.06607	0.8
402.11041	1.2
403.11575	0.8
414.83679	0.8
435.08301	0.7
437.10159	1.0
447.10208	0.9
453.09528	1.1
461.10089	0.9
464.08862	0.9
465.09653	1.4
477.15149	1.0
479.11008	0.9
493.09189	1.4
497.12183	1.6
507.10678	1.9
510.09290	1.1
517.09241	0.9
521.08130	1.1
522.13226	2.5
523.13300	1.2
525.11688	7.6
533.12384	1.1
535.10168	2.5
536.10577	1.0
539.13141	1.0
550.12457	4.0
551.13300	4.4
553.11572	7.3
567.12720	3.5
568.13629	3.9
583.15948	100.0
584.16272	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1442
Annotation	Bulbineloneside D
Peak:m/z	Relative Intensity
50.42761	0.2
55.05488	0.2
65.03902	0.2
67.01844	0.4
68.99781	0.3
69.03398	0.4
71.60913	0.3
73.02904	0.3
73.26979	0.2
74.72920	0.2
78.75550	0.2
81.03387	0.3
81.07026	0.4
83.04942	0.2
85.02910	0.4
91.05450	0.7
93.07057	0.2
95.04927	0.2
95.08592	0.2
97.02846	0.3
103.05460	0.2
105.07010	0.5
107.04930	0.4
109.02874	0.3
115.05437	0.2
119.08549	0.3
123.04443	0.4
127.58891	0.2
131.04912	0.2
133.06479	0.3
133.91563	0.2
135.11526	0.2
137.02354	0.2
137.05994	1.0
141.06895	0.3
145.06506	0.2
147.04390	0.3
151.03856	0.4
152.06236	0.3
153.01814	5.4
153.06976	0.4
159.11511	0.2
161.05946	0.7
163.03833	0.3
165.06946	0.5
167.07028	1.2
167.08559	1.5
169.06366	0.3
171.02870	0.6
173.05977	0.3
175.03862	0.4
177.05496	0.4
177.06920	0.4
179.03381	0.7
179.06920	0.3
181.06496	0.2
183.04395	0.8
189.05481	0.2
191.06981	0.3
193.04874	0.3
195.08020	1.4
197.05945	0.2
199.07512	0.3
200.04674	0.9
201.05472	0.5
205.04958	0.5
205.06596	0.3
207.06502	0.5
209.06055	0.2
213.05373	0.3
221.06010	0.2
223.07497	0.8
226.06146	0.3
227.06992	0.3
229.04971	0.5
241.08684	0.3
243.06451	0.3
248.08086	0.2
249.05495	0.3
255.06398	0.4
263.06979	0.2
267.06482	0.5
269.07935	0.2
292.07156	0.2
303.06461	0.3
319.09567	1.3
324.06308	0.6
329.08044	0.8
347.09113	1.6
349.07162	0.4
352.05710	1.7
357.07675	1.0
358.08044	0.2
361.06976	0.3
365.06476	0.5
366.07297	0.9
374.07623	0.4
375.08563	3.3
377.06635	0.5
391.08084	1.0
392.08829	0.5
393.09641	87.0
394.10107	1.3
403.07898	0.7
419.07358	0.3
421.09128	100.0
422.09396	1.1
431.11188	0.4
481.74759	0.2
523.32349	0.3
583.15161	1.8
583.28021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01839	0.8
55.05499	1.4
57.03433	12.1
61.33941	0.7
69.03426	1.1
69.89028	0.6
71.00836	1.4
71.04987	85.4
73.02907	1.8
75.04468	2.3
75.77613	0.7
81.03435	0.9
81.07057	0.8
83.04958	2.0
85.02898	82.5
85.06545	0.8
87.04462	1.4
107.08552	0.8
111.04424	1.4
121.02885	0.9
123.04417	1.6
129.05470	21.1
129.06920	0.8
129.18777	0.7
130.40172	0.8
135.11707	0.7
137.05988	2.0
139.03961	0.7
143.04892	1.6
147.04391	1.2
147.06514	3.6
153.01816	13.0
167.06935	1.3
169.06433	1.4
171.04459	1.3
175.03723	1.0
176.27443	0.7
179.03378	10.8
183.04356	0.9
185.06003	3.3
187.07597	1.1
191.03488	0.9
195.02878	2.4
197.06010	2.3
199.03896	4.6
201.05470	2.5
205.04922	1.5
205.57843	0.7
207.02890	7.7
213.05457	2.7
215.07033	1.3
217.04959	2.6
221.04436	2.0
223.07471	0.8
227.07065	0.9
229.04930	1.4
233.04472	1.5
237.05388	0.9
243.06451	1.7
255.06595	1.0
257.08054	1.9
267.06299	0.8
276.68854	0.7
289.08533	1.1
307.05450	0.7
317.07953	1.1
327.06427	1.0
335.09164	0.8
345.07495	1.6
350.04248	0.9
363.08597	2.1
368.05270	2.7
373.07043	1.8
376.05731	1.1
379.04279	1.0
391.08133	9.9
393.09515	1.9
395.07764	1.0
409.09216	2.5
419.07584	4.3
421.09177	2.8
437.08649	100.0
438.09253	0.9
449.12561	1.1
479.09830	1.4
565.13867	1.5
583.15228	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	582.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01865	7.4
55.05512	10.1
57.03427	4.2
57.07066	2.2
58.06592	1.9
59.04980	2.5
61.02914	2.6
64.44102	1.4
67.05172	1.6
67.05504	18.0
69.03422	13.8
69.07066	9.6
70.06580	1.6
71.04988	29.0
71.58423	1.9
73.06554	1.7
79.05489	6.3
80.05011	2.5
81.03424	8.5
81.07053	7.6
82.02926	2.3
82.06574	23.2
83.04967	5.2
84.04495	1.9
84.55092	1.3
85.02898	32.3
91.05467	6.0
93.07032	16.7
94.06577	3.2
95.04958	4.7
95.08602	29.1
96.08134	3.2
96.63617	1.5
97.02916	8.7
97.06499	1.8
99.04433	2.9
100.03979	1.5
103.20267	1.3
105.07023	13.0
107.04959	7.9
107.08581	13.3
108.05740	6.9
108.08112	5.1
109.02872	3.8
109.06521	5.6
109.10129	5.8
110.06042	2.1
110.09682	1.6
116.98624	1.7
117.03395	1.9
117.07022	2.7
118.06514	1.4
119.08571	10.0
120.08105	3.3
121.06500	1.9
121.10123	9.1
122.06052	7.3
122.09647	5.1
123.08015	6.9
124.07632	2.8
125.09597	2.7
126.05458	1.9
127.03943	8.0
129.06995	2.0
131.07361	1.5
131.08522	3.4
132.08064	1.9
133.10124	12.3
134.09647	5.3
135.08061	3.1
135.10481	1.7
135.11661	4.3
136.07559	1.6
136.11189	4.6
137.05923	2.8
137.09616	4.3
138.09100	2.0
140.07051	1.5
140.10716	2.6
142.07741	1.8
144.08093	1.4
145.02769	2.2
145.04933	4.5
145.08893	2.3
145.10092	4.8
146.09627	5.1
147.04411	3.8
147.11671	5.8
148.07542	13.1
148.11212	7.5
150.09131	2.4
150.12750	3.9
152.10696	14.9
153.01819	2.2
159.10445	1.8
159.11739	3.3
160.11212	5.8
161.09581	2.5
162.12709	2.4
163.09929	1.9
163.11174	5.3
164.10689	5.7
166.08542	2.1
174.12769	9.1
176.14360	2.5
177.05449	10.2
178.12254	41.4
180.13820	2.4
184.09738	2.7
186.12659	1.7
192.13821	26.0
193.12256	4.1
204.13837	18.2
205.12337	2.6
210.14828	2.8
219.01595	1.5
222.14880	55.7
237.02779	1.7
240.15941	100.0
258.16980	1.5
299.09024	4.3
337.09122	5.6
354.19107	13.5
384.19952	2.7
396.07819	2.1
402.21246	29.5
426.08682	1.6
444.10062	4.5
498.12427	1.8
528.12555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67512	1.4
53.03916	2.1
55.01859	2.0
57.03413	2.5
61.02923	3.2
67.05489	2.2
67.62278	1.6
68.07102	2.1
69.03419	10.2
71.04978	5.6
71.60159	3.4
72.05289	1.9
73.02907	4.7
79.05485	7.7
81.03395	5.3
81.07054	2.7
83.04973	1.7
85.02892	23.9
87.04446	1.8
91.05473	5.7
93.07011	2.5
95.04956	18.8
97.02901	9.7
102.48654	1.8
103.05431	1.7
105.07008	5.3
107.04950	28.2
107.08598	2.1
109.02881	4.6
111.04405	1.9
115.05445	4.9
117.07009	6.9
119.04955	3.4
120.75583	1.7
121.02860	7.0
121.06508	4.0
122.03185	3.5
123.04413	23.8
124.05178	3.8
125.05991	4.2
127.03901	4.6
129.06970	6.7
131.04884	4.6
131.08549	8.4
132.05685	2.6
133.06503	3.9
137.05956	20.5
140.04645	4.5
141.05508	2.0
141.06998	2.6
144.05696	2.8
145.06487	15.2
147.04391	4.1
149.06021	3.6
151.03851	2.4
152.04715	3.9
153.05463	5.5
154.06252	2.9
155.05981	2.3
155.07040	13.9
156.05667	6.0
157.06418	4.7
158.07251	3.9
159.08044	13.5
160.05132	1.9
161.05968	9.7
163.07594	2.4
165.05528	4.6
165.06929	1.6
167.07034	83.5
167.10826	2.1
168.07675	5.3
169.05008	2.5
169.06343	2.0
171.08104	2.3
173.05971	20.4
173.09470	1.7
173.82118	1.7
174.06778	3.0
175.07486	3.0
177.05450	3.8
179.07031	4.8
181.04967	4.7
181.06416	2.2
181.08536	4.3
182.09367	9.5
183.06512	31.2
183.20982	1.7
184.05086	2.3
184.07349	10.6
186.06749	2.1
187.07538	13.8
188.07997	2.1
189.09106	7.8
190.06241	10.7
191.06947	2.5
192.07758	3.7
202.06218	4.6
203.06979	8.5
203.08672	2.5
204.07826	3.7
205.08614	19.2
206.07336	2.6
207.10031	2.8
210.08849	10.8
215.06918	3.8
217.06511	4.2
217.08566	57.3
218.07236	3.7
218.09305	9.3
219.08046	8.8
219.10179	15.8
220.08839	3.5
220.10945	8.7
221.09653	2.3
226.06165	2.3
230.09399	3.8
231.08011	4.5
231.10187	3.9
233.09576	5.8
234.06677	2.2
234.08786	4.8
235.07475	8.0
235.09700	5.0
236.08237	4.2
238.12025	7.1
241.08585	2.6
246.06714	2.6
247.07555	11.2
247.09740	3.0
248.08214	7.1
248.10472	10.5
249.05646	1.9
249.09026	5.4
249.11218	10.2
250.11748	1.9
251.10677	4.4
253.08510	3.9
259.07645	2.2
260.08405	2.7
261.09076	10.2
262.06467	2.7
262.09717	2.0
263.07101	6.3
263.10577	4.0
264.07751	10.9
264.10349	3.2
265.08542	6.7
266.11526	3.3
269.07983	4.0
271.06042	4.3
274.06653	3.6
275.07059	3.0
276.07788	3.8
277.08609	10.6
278.09332	7.1
279.07224	2.3
279.10138	14.4
280.10626	3.5
281.07910	2.4
282.08282	2.3
283.06061	13.7
283.09164	2.8
284.06415	26.5
285.06723	24.8
286.07016	16.6
287.07614	5.2
289.08603	2.5
290.09290	1.9
291.10123	5.8
292.07300	4.8
293.08044	6.1
293.11728	5.5
294.08612	2.1
295.06061	1.8
295.09653	5.5
296.06271	4.8
296.10095	2.8
297.07019	5.3
298.07574	6.4
299.08389	2.6
300.08569	3.8
301.10654	2.0
305.07834	2.1
307.09537	19.0
308.10254	5.8
309.07404	4.4
309.10995	4.0
310.07886	3.8
311.12787	7.7
313.07056	15.9
314.07404	36.6
315.07642	22.8
316.07898	24.6
319.09457	2.9
321.11295	7.3
323.09006	6.4
323.12628	3.3
324.09558	7.6
325.10013	3.2
326.10220	3.0
328.08463	2.1
329.10025	3.8
330.10562	2.2
337.06924	4.2
337.10724	4.9
338.07318	9.5
338.11264	4.4
339.07678	7.3
339.12228	15.1
340.08014	7.5
340.12939	2.8
341.13565	2.4
344.12405	9.6
346.09042	2.6
351.12256	2.5
352.08798	3.2
353.09726	2.4
353.13821	5.6
355.11871	3.9
356.12567	2.5
359.14822	5.9
368.08380	3.7
368.12506	2.1
369.08740	2.0
369.13324	31.6
370.09048	2.6
370.13751	4.3
370.24924	1.9
371.14862	95.4
372.14935	5.1
381.08737	3.6
382.08844	5.1
383.15021	6.2
384.15561	4.8
385.16168	2.2
387.14371	14.2
389.15875	13.5
398.09375	5.1
399.09726	4.4
400.10062	8.7
401.15909	100.0
402.16544	44.5
416.10519	6.3
417.10773	5.6
418.10910	12.0
419.11844	3.1
419.16992	26.9
420.17703	38.3
431.16907	5.0
432.53784	1.8
433.11124	6.6
434.11591	26.2
435.11899	33.0
436.12122	67.3
437.12250	2.2
582.17877	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	581.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01860	1.2
55.05493	1.8
60.04516	0.8
65.03916	0.8
67.05501	1.9
69.03413	1.8
69.07062	1.4
71.63214	0.6
71.63617	0.9
73.02916	1.0
78.34719	0.7
79.05480	1.5
81.03403	1.5
81.07046	2.1
85.02881	4.0
91.05468	2.6
93.07039	1.5
95.04977	1.3
95.08604	1.1
97.02868	1.1
100.11247	1.8
103.05472	1.1
105.07034	2.0
107.04943	2.5
107.08569	2.2
109.02872	1.8
109.10130	1.1
111.04428	1.1
117.07002	1.1
118.15504	0.6
119.04937	7.0
119.08534	1.3
120.71056	0.7
121.02869	10.3
121.06515	2.3
121.10141	0.9
121.34602	0.6
123.04446	2.4
123.08038	1.0
123.11694	0.8
124.40422	0.6
125.09628	0.7
127.03922	0.9
129.07002	0.9
131.04916	2.2
131.08505	0.8
133.02869	0.9
133.10132	0.8
135.04420	0.9
137.05981	3.6
139.03877	1.0
145.06532	0.7
147.04445	1.4
149.05978	2.1
151.07539	0.8
151.34772	0.7
153.01796	1.0
153.05440	1.3
157.10030	0.9
161.05904	1.0
163.03905	0.8
163.07594	0.9
165.09109	0.8
167.07043	6.4
175.03949	1.4
177.01805	1.4
177.05498	2.3
179.03384	2.7
181.04939	1.4
181.08688	0.9
189.01810	1.4
189.05440	0.9
191.07117	0.7
193.08577	0.8
195.02888	12.8
197.04555	1.2
201.05563	0.7
203.03419	5.8
207.02924	4.3
207.06514	1.6
210.14827	0.9
217.04955	2.5
221.04398	4.1
225.03914	1.1
235.05991	1.0
251.06967	0.7
264.21741	0.7
267.06482	1.5
268.07324	3.0
269.08044	0.8
271.05920	6.9
272.06311	4.0
273.03937	1.1
273.06598	5.4
282.05240	1.4
283.05936	5.0
291.12317	1.2
295.05997	100.0
296.06677	5.3
297.07574	4.8
307.06104	4.4
308.06677	1.0
309.07571	4.6
313.07138	2.2
320.06592	1.0
321.07584	13.6
325.07037	44.8
333.07550	0.7
335.05334	0.7
335.09103	11.3
337.06821	1.8
349.07059	23.1
361.06799	2.7
363.08630	1.9
379.08102	13.0
391.08093	15.9
397.08972	0.9
409.03705	1.2
409.09167	24.1
427.10236	64.9
428.10535	1.0
445.11301	25.6
446.11542	0.7
461.12280	5.1
526.69135	0.8
542.17365	1.0
563.15479	1.1
581.15497	3.8
581.33392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.05504	1.2
57.03406	0.6
65.03931	0.6
67.05509	1.0
68.99808	0.5
69.03415	1.4
69.07062	0.7
71.04983	1.0
79.05486	1.1
81.03410	1.2
81.07043	1.7
83.08606	1.1
85.02901	2.5
85.06525	0.9
91.05463	1.7
93.03391	0.7
93.07026	1.3
95.04950	1.1
95.08588	1.4
97.02854	0.7
97.06528	0.5
98.81599	0.4
99.04482	0.5
100.11244	1.8
103.05447	0.7
105.07001	1.3
107.04948	3.1
107.08586	1.4
108.08971	0.5
109.02844	1.5
109.10147	0.8
111.04436	1.0
115.05502	0.5
119.04948	5.4
119.08565	0.8
121.02863	9.3
121.06480	1.0
121.10131	0.9
123.04410	2.5
127.03895	0.7
131.04883	0.9
131.08572	1.0
133.02853	0.8
133.06483	1.1
133.10139	1.0
135.04344	0.8
135.11697	0.6
137.02242	0.4
137.05965	1.7
139.03862	0.7
145.02901	0.9
145.06514	1.0
145.10075	0.6
147.04413	1.6
149.06010	1.1
151.03931	0.7
151.07510	0.8
153.01848	0.9
159.11661	0.7
161.02423	0.5
161.06000	0.9
161.09602	0.9
163.03918	0.5
165.01833	0.9
165.09103	0.5
167.07048	4.2
173.05945	0.9
175.03914	2.0
177.01872	1.4
177.05486	1.3
179.03421	1.4
181.04976	0.8
182.15363	1.3
183.02942	1.0
189.01843	1.0
189.05421	0.8
191.07014	0.8
195.02892	13.5
197.04495	1.4
199.03891	0.7
203.03430	6.1
207.02870	3.7
207.06471	1.0
210.14923	1.0
217.04965	2.6
221.04430	3.6
225.03891	1.5
231.02913	1.2
235.06078	0.9
254.05804	0.7
263.07101	0.5
267.06485	2.3
268.07315	4.1
269.08054	0.5
271.06042	5.6
272.06342	4.1
273.04053	0.8
273.06610	3.8
279.06613	1.2
282.05331	1.1
283.06094	3.5
291.12473	0.9
295.06000	100.0
296.06577	7.5
297.07657	4.4
307.06027	4.2
309.07623	3.4
313.07007	0.5
313.11273	0.5
319.05746	0.6
320.06650	1.1
321.07565	12.4
325.07053	46.1
326.07336	1.1
333.07443	0.8
335.05438	0.8
335.09116	10.5
337.07047	1.2
349.07071	22.5
350.07434	0.6
351.12354	0.6
361.07001	2.9
363.08560	2.1
379.08090	10.1
391.08093	15.3
409.09174	25.2
410.09515	1.0
427.10248	52.3
428.10602	1.5
445.11285	21.6
446.11441	1.2
461.12283	5.6
537.40137	0.9
538.39941	1.0
563.15881	0.6
581.16687	3.1
581.25262	1.2
581.33948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1496
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01865	3.4
61.02925	1.5
69.03428	1.9
69.58299	8.5
69.58707	2.1
74.71725	1.4
81.03423	1.6
83.84375	1.5
85.02912	4.2
103.03949	1.9
109.02878	2.2
121.02858	1.5
135.04402	5.7
136.94168	1.2
137.02341	27.4
137.03349	2.0
161.02364	3.6
163.03850	1.9
165.01855	1.2
171.04445	1.3
175.03943	2.1
179.03387	1.9
187.03870	1.8
189.01817	4.6
191.03436	2.1
195.02879	4.9
199.03821	1.8
203.03384	12.5
207.02873	7.8
211.03893	1.5
213.05762	1.4
215.03391	4.6
217.04955	5.1
219.02936	4.0
221.04451	3.1
227.03360	2.6
229.04929	1.6
233.04576	3.1
241.05005	1.7
243.02771	2.0
245.04491	3.2
273.03870	3.1
283.06046	2.3
284.06827	3.2
295.05927	3.6
296.06866	1.6
299.05499	4.0
300.06357	2.4
308.06775	2.7
309.07669	2.7
310.04755	10.7
311.05496	50.9
312.06195	4.3
313.07022	4.7
321.07700	2.7
322.08258	2.0
323.05481	33.8
323.08905	2.1
324.06281	13.9
325.07062	13.1
329.06674	3.5
333.07523	4.5
335.05405	3.9
336.06119	6.3
337.07040	33.8
338.07782	4.9
339.04965	2.6
339.08673	5.0
341.06534	51.0
345.07669	3.4
347.05405	1.7
349.07040	18.9
350.07837	2.9
351.04971	1.4
351.08734	18.5
352.05695	4.1
353.06528	41.7
355.08102	5.4
361.06979	12.6
363.08646	4.5
365.06546	43.5
367.08127	21.8
371.07651	8.4
375.08627	2.1
377.06516	21.9
377.10626	2.3
379.08112	24.2
383.07645	4.2
389.06400	13.6
389.10492	1.6
391.08182	8.1
395.07620	51.5
403.08136	5.5
405.09863	2.7
407.07626	51.7
409.09137	2.0
415.08255	2.2
417.09525	3.8
419.07642	8.8
421.09174	1.7
425.08624	68.2
431.07645	7.9
433.09009	2.6
434.49460	1.5
435.10913	1.5
437.08731	6.3
443.09723	100.0
444.09772	2.2
449.08621	8.9
455.09732	5.1
461.09717	7.8
467.09799	1.8
473.10553	8.6
479.09955	6.3
491.11234	8.0
497.10788	30.7
509.10684	10.2
515.11804	20.3
527.11816	58.9
528.12323	1.6
545.12872	30.7
563.14038	15.9
581.15106	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	581.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
60.35096	1.7
61.02912	2.6
61.93813	1.8
67.79402	1.7
71.00898	1.6
71.35365	4.9
73.02879	1.8
73.47125	1.5
85.02898	3.9
98.52799	1.6
101.26859	1.6
103.03957	2.8
107.04910	3.6
109.02912	2.8
121.02829	3.0
125.89108	1.6
135.04366	7.5
137.02332	29.4
137.03368	1.3
159.04550	1.8
161.02316	5.0
161.06046	1.9
175.03955	2.0
177.01862	2.8
178.11963	1.7
189.01787	6.6
189.05418	2.2
191.03357	5.1
195.02820	8.5
203.03307	8.8
205.04893	2.3
207.02827	9.5
215.03337	5.9
217.04903	5.3
219.02855	4.3
221.04398	4.6
227.03343	1.9
233.04552	2.9
241.05116	2.3
245.04420	3.3
256.72018	2.2
283.06064	2.8
284.06747	3.2
295.05972	4.1
296.06985	2.5
297.07394	3.7
299.05551	6.4
307.05978	3.0
309.07486	3.6
310.04617	14.6
310.63181	1.8
311.05426	57.2
312.06192	4.9
313.06995	7.6
318.00830	1.9
321.07358	1.9
323.05453	40.2
323.09067	3.3
324.06183	11.0
325.06931	12.7
329.06583	6.3
333.07422	4.2
334.08517	2.5
335.05453	5.5
336.06229	8.1
337.06992	38.3
338.07666	5.9
339.08664	6.9
341.06506	62.1
345.07596	3.4
347.05255	3.0
349.07028	21.7
351.04727	2.7
351.08542	14.3
352.05502	3.8
353.06503	56.6
355.08401	2.1
361.07043	12.1
363.08572	7.1
365.06479	41.8
365.10742	3.3
367.08118	20.8
371.07538	9.5
375.08569	3.2
377.06473	23.8
379.08096	25.6
383.07489	6.5
389.06461	12.4
391.08154	7.1
395.07574	50.2
395.12750	2.7
403.08090	7.0
407.07547	54.2
409.08994	2.4
413.08554	5.5
415.07715	2.3
417.09479	2.9
419.07489	8.6
421.09271	3.3
425.08609	72.5
431.07861	7.1
433.09375	3.0
435.10931	1.8
437.08905	4.2
443.09717	100.0
449.08496	13.4
455.09763	3.0
461.09836	8.0
467.09595	3.6
473.10550	12.3
479.09637	4.8
485.10696	3.0
491.11435	10.0
497.10645	29.2
509.10938	11.2
515.11700	21.5
527.11768	68.6
545.12781	37.0
563.13892	20.5
581.14612	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	581.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46766	1.6
55.01854	5.2
57.03433	2.2
61.02910	4.5
65.03921	1.7
69.03424	1.9
69.59764	3.7
69.60178	9.0
81.03409	3.2
85.02895	4.8
97.02862	2.5
98.21513	1.5
99.70313	1.4
103.03939	2.3
107.04961	2.2
109.02877	3.3
116.72673	1.5
117.03426	2.0
121.02816	2.1
135.04405	9.5
137.01340	2.5
137.02332	33.8
137.09596	2.1
157.11855	1.6
161.02316	4.5
171.04443	1.8
174.62953	1.6
175.03900	2.9
179.03391	2.8
187.03836	2.8
189.01834	6.2
189.05499	2.0
191.03342	4.8
195.02908	11.6
199.03795	1.8
203.03372	14.6
205.04950	3.0
206.66364	1.5
207.02875	11.2
215.03432	5.8
217.04895	5.6
219.02927	4.8
221.04474	5.9
225.03880	1.7
229.04988	3.8
231.02896	2.2
233.04364	4.1
241.04962	1.9
243.02954	4.4
245.04376	4.4
257.04340	2.0
260.11115	1.6
267.48962	1.7
273.03943	3.5
283.06036	4.1
284.06769	3.4
295.05997	3.9
296.06662	2.8
297.07428	3.5
299.05438	5.4
307.05966	2.2
308.06772	2.9
309.07617	6.0
310.04755	13.9
311.05484	62.7
311.08725	2.9
312.06201	6.8
313.07285	7.8
321.07697	2.6
322.08255	2.7
323.05469	46.7
324.06216	17.9
325.06989	19.4
329.06592	5.7
333.07742	2.1
335.05286	8.1
336.06253	8.2
337.03119	3.1
337.07037	45.0
338.07733	7.9
339.04898	3.7
339.08618	8.2
341.06519	61.9
345.07526	3.0
349.07068	19.7
350.07758	6.0
351.04803	2.7
351.08612	22.6
352.05643	4.7
353.06537	46.0
353.10712	3.8
355.08008	4.4
361.07095	13.5
363.08591	5.5
365.06506	48.9
367.08087	28.5
371.07526	5.6
372.07364	1.6
374.07709	2.6
375.08475	3.6
377.06500	27.0
377.10623	2.9
379.08105	24.3
383.07419	6.2
389.06421	10.4
389.15231	2.0
391.08090	11.0
393.09805	2.4
395.07587	62.6
401.16077	2.2
403.08347	9.8
405.09711	3.7
407.07541	53.2
413.08459	16.1
415.08136	2.2
417.09644	2.7
419.07639	11.7
421.08932	3.0
425.08603	76.2
431.08432	7.1
433.09198	3.7
437.08630	8.6
443.09723	100.0
449.08578	10.9
455.09583	5.6
461.10095	12.5
467.09671	8.2
473.10770	16.3
479.09799	5.9
485.10651	11.4
491.11093	10.1
497.10785	39.8
509.10855	18.5
515.11713	33.0
527.11786	70.3
545.12872	51.1
545.21222	2.4
563.13922	25.9
581.14856	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	580.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.3
57.03434	10.1
65.03910	2.2
67.05502	51.8
69.02454	1.5
69.03444	1.7
69.07060	16.7
69.64592	2.9
69.64911	12.1
71.04984	5.6
79.05057	1.9
79.05486	28.0
81.07052	78.0
83.04958	4.4
83.08608	7.3
83.71095	1.5
85.06529	3.6
91.05475	24.8
93.07034	35.2
95.04950	5.5
95.08601	39.5
97.06527	4.8
97.10129	1.9
99.08070	2.7
101.05925	1.4
105.07027	28.3
107.08584	17.1
109.06499	3.3
109.10162	10.6
111.08091	2.0
117.07039	2.0
119.08584	18.7
121.10143	22.9
123.08029	4.0
123.11694	19.4
127.07552	2.2
131.08542	5.0
133.10098	7.9
135.11671	7.9
137.13260	2.9
145.10100	5.0
147.11679	44.2
149.13251	3.9
159.11702	3.2
161.13197	2.2
163.14856	2.1
165.12749	22.4
173.13228	3.0
175.11205	1.9
183.13797	2.5
189.72295	1.5
218.68040	1.7
229.14383	4.2
243.21100	1.7
261.22095	12.1
267.15903	44.6
271.05994	2.4
272.06287	3.8
285.16931	43.2
317.24451	2.0
335.25781	100.0
545.30322	2.8
545.38336	38.8
556.35895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58969	1.2
53.03946	1.5
55.01854	1.8
55.05502	4.5
57.03449	1.9
59.17366	1.2
65.03896	1.2
67.05501	23.0
69.07051	4.5
69.53274	2.7
69.53678	7.9
71.04970	3.2
78.11371	1.1
78.64697	1.1
79.05492	15.7
81.03402	2.5
81.07048	19.9
83.04983	6.6
83.08594	2.7
85.02894	2.0
88.71916	1.3
91.05454	10.6
93.07040	16.7
95.04982	3.6
95.08596	12.9
97.06522	3.2
98.20814	2.4
105.07017	5.9
107.04940	5.1
107.08583	8.0
109.10150	8.7
111.04447	5.8
117.07018	4.1
117.78205	1.2
119.04944	1.2
119.08535	5.7
121.10146	9.4
123.11714	3.0
127.49998	1.3
129.06982	1.7
131.08595	5.8
133.10118	3.2
135.11679	8.0
143.08548	1.4
145.06433	1.8
145.10115	5.5
147.11682	3.5
149.09624	1.6
149.13240	2.2
153.01799	4.2
153.12732	2.0
155.08556	1.8
159.11629	2.0
163.11176	8.0
163.14839	2.2
165.49631	1.2
173.09651	4.1
181.12175	2.6
187.14859	1.7
191.10669	4.5
209.11600	1.8
225.14980	1.2
227.12747	6.5
259.20813	1.4
261.22067	5.2
263.20929	1.4
265.14297	9.2
271.06003	100.0
272.06290	6.2
279.23123	2.7
283.15298	9.9
301.16464	8.1
313.07208	1.9
317.24643	1.7
335.25790	9.0
337.06982	1.5
433.11368	1.9
469.32663	1.8
515.37054	2.6
525.35931	3.9
543.36401	6.5
561.38000	7.9
579.38757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24804	0.8
53.03952	1.8
55.01859	1.7
55.05502	3.6
57.03427	1.5
57.07086	1.4
65.03925	1.1
67.05497	28.7
69.03410	1.3
69.07063	5.6
71.04976	3.0
71.08627	1.0
71.61088	1.6
73.02878	1.7
78.99189	0.9
79.05487	15.0
81.03413	2.3
81.07050	30.3
83.04958	1.6
83.08604	5.0
85.02908	3.1
85.06554	1.4
91.05466	10.8
93.07036	22.2
95.04977	2.3
95.08598	24.7
97.02900	1.3
97.06541	1.2
97.10146	2.2
98.98444	4.6
99.04414	2.2
105.00168	0.9
105.07027	9.2
107.08578	12.9
109.02868	4.4
109.06527	1.1
109.10146	14.3
111.08034	1.2
117.07014	4.3
119.04871	1.2
119.08567	8.9
121.10117	11.4
123.08051	1.0
123.11716	6.8
125.09597	1.1
131.08560	9.3
133.10132	7.4
135.11667	10.2
137.09569	1.2
137.13255	2.6
139.11166	1.1
145.10153	4.7
147.11603	4.4
149.13219	8.2
153.01849	3.1
155.01021	3.7
157.10176	1.0
158.00725	1.0
159.11679	4.4
161.13232	3.7
163.11264	1.1
163.14804	4.1
171.02876	1.6
173.13249	5.2
175.14848	1.8
177.16356	2.1
187.14810	3.6
203.53909	0.9
212.65784	0.9
243.21053	10.3
245.22502	1.0
261.22131	40.3
262.22845	1.1
263.23721	1.9
271.05997	100.0
272.06348	3.9
279.23111	1.9
283.06046	2.7
283.15442	1.0
284.06647	1.4
313.07047	1.4
317.24628	1.3
335.25754	10.0
337.27289	2.9
353.26834	40.4
368.34723	1.1
377.26880	2.0
433.11200	2.7
543.36200	1.1
561.26904	3.3
561.37781	2.0
579.31061	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
50.08832	0.2
54.28745	0.1
55.05490	0.1
55.85398	0.1
57.03437	0.9
58.11653	0.2
61.02911	0.4
67.01849	0.2
68.99789	0.3
69.03416	0.6
69.65684	1.1
71.05008	0.3
73.02912	1.7
81.03408	0.2
85.02902	0.9
91.05457	0.4
91.15659	0.1
95.04977	0.2
97.02868	0.5
97.96455	0.1
98.20720	0.2
105.07030	0.3
107.04945	0.3
109.10121	0.2
115.03902	0.5
118.04147	0.5
119.04922	0.5
119.08573	0.2
121.02878	0.2
122.17297	0.1
123.04423	1.6
129.05507	0.1
133.06499	0.3
137.06001	0.2
139.03825	0.2
145.02911	0.2
145.06412	0.2
149.02361	1.5
152.01028	0.8
153.01836	1.5
154.22496	0.1
158.03644	0.2
162.00111	0.1
163.04005	0.2
167.07013	0.3
170.02136	2.6
171.02899	0.2
173.05948	0.2
179.03435	0.5
181.04846	0.2
197.05992	0.5
213.05545	0.4
214.06061	0.2
229.08612	3.2
241.05046	0.3
242.05759	1.8
252.04253	0.3
253.04980	2.1
253.11887	0.1
255.06630	0.1
257.08197	0.3
269.04434	1.7
270.05240	4.1
271.06012	23.6
283.06125	0.8
285.07571	100.0
286.07974	0.9
313.07144	0.7
323.09204	0.2
337.07053	0.4
367.08499	0.2
379.07993	0.2
397.08722	0.2
415.10254	0.3
433.11301	0.8
447.12900	7.9
579.15222	0.2
579.34674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.17
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
53.86318	0.1
57.03426	0.1
67.01868	0.5
68.99780	0.4
69.29327	0.7
70.49476	0.1
70.74352	0.1
71.04983	0.6
83.04973	0.1
85.02407	0.1
85.02897	0.9
91.05456	0.5
97.02901	0.1
119.04933	2.1
121.02869	0.6
127.03949	0.1
129.01839	0.1
129.05449	0.1
145.02818	0.6
153.01808	4.9
163.03915	0.4
169.06357	0.1
171.02878	0.9
187.03917	0.2
195.75597	0.1
201.05525	0.1
203.07037	0.2
208.53545	0.1
211.03905	0.1
225.05406	0.4
229.04968	0.3
243.06526	0.4
247.06023	0.2
253.04907	0.1
271.05978	100.0
272.06305	0.3
373.24396	0.1
433.11285	0.3
467.38995	0.1
579.16614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
57.03437	0.4
61.02914	0.2
66.25289	0.1
67.01869	0.2
69.03418	0.4
69.07060	0.2
70.15829	0.6
71.05003	0.4
73.02913	1.0
79.05502	0.1
81.07056	0.2
85.02891	1.0
91.05485	0.3
93.07068	0.3
95.08613	0.2
97.02901	0.2
107.04939	0.2
107.08598	0.2
110.96223	0.1
119.04975	0.8
119.08600	0.2
121.02892	0.4
121.21306	0.1
129.05510	0.2
133.06514	0.7
133.28516	0.2
135.04483	0.3
137.05981	0.2
145.02802	0.2
153.01819	2.1
159.04411	0.2
161.09673	0.2
163.03818	0.2
167.07056	0.4
171.02928	0.6
202.25618	0.1
207.06477	0.3
242.05746	7.7
243.06372	0.3
270.05231	8.8
271.06006	38.1
272.06335	0.4
283.06012	1.1
283.08948	0.1
284.06763	0.3
285.07565	100.0
286.07849	1.1
287.05533	0.6
295.06033	0.2
297.07468	0.2
309.07535	0.2
311.05258	0.2
313.07159	1.6
323.09256	0.2
337.07022	0.5
397.08759	0.3
415.10263	0.4
433.11349	1.5
447.12860	15.7
448.13504	0.2
579.15717	0.8
579.31702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03926	1.1
54.05918	0.6
57.03433	8.0
58.17841	0.4
68.99805	0.8
69.03421	0.6
69.31354	0.5
69.51231	3.6
69.51648	1.2
71.04988	42.0
73.02905	1.2
75.04443	1.9
79.05444	0.5
81.03368	0.8
83.04941	1.0
85.02898	48.2
87.04485	1.0
91.05477	0.7
95.04933	0.6
99.04434	0.8
103.03928	0.7
109.02852	1.4
109.31104	0.4
111.04424	1.2
119.04922	1.9
121.02856	6.4
123.04355	1.0
129.04504	0.5
129.05466	9.3
145.02800	2.1
147.04376	0.6
147.06487	1.7
149.02298	1.2
161.05966	0.6
163.03851	1.9
165.01814	5.7
167.03419	2.8
177.01814	1.0
177.05544	0.7
179.21690	0.6
181.04913	0.7
183.02882	3.9
187.03827	0.6
191.03311	1.1
195.02902	1.8
200.30614	0.7
205.04869	0.6
207.02861	0.6
229.04973	1.5
233.04453	1.2
239.07085	1.1
243.02965	0.8
255.06503	0.9
256.07260	0.8
261.03970	0.8
267.06516	8.7
270.05185	3.0
271.05997	14.2
279.06531	0.7
281.08072	8.1
283.05988	100.0
284.06747	11.0
285.07352	0.8
293.08124	0.6
295.05997	12.6
295.09512	1.8
297.04141	1.1
297.07623	2.8
305.08069	2.0
307.05908	2.0
308.06827	2.1
309.03925	1.4
309.07504	22.7
311.05716	1.0
313.07028	99.8
314.07141	1.2
321.07526	2.4
323.05789	0.7
323.09125	15.6
325.07129	0.6
333.07544	4.1
334.74188	0.5
337.07022	51.4
338.07571	0.8
349.07019	12.8
351.08362	3.2
355.08356	0.8
361.07001	11.0
361.11230	0.9
367.08099	35.6
379.08090	22.3
381.09586	0.7
397.09161	25.8
415.10196	63.1
417.11737	0.9
433.11279	75.5
443.63043	0.6
532.77106	0.5
579.15588	2.4
596.14880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1699
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03435	4.4
57.69956	0.7
66.41359	1.0
70.64635	2.3
71.04986	23.6
74.19625	0.9
85.02898	24.7
91.05444	0.9
111.04436	0.9
121.02845	8.8
129.05484	3.5
145.02859	2.0
147.06572	1.0
163.03844	2.2
165.01845	4.5
167.03413	2.8
177.01892	1.1
183.02951	4.0
187.03993	0.9
191.03505	1.1
195.02948	2.0
205.04799	0.8
229.05043	1.0
239.06985	1.2
255.06499	1.6
256.07254	1.2
259.06073	1.2
267.06433	6.9
270.05304	2.8
271.05957	8.4
279.06647	1.2
281.08066	6.0
283.05984	78.3
284.06741	19.2
285.07462	1.6
295.05991	10.7
295.09561	2.3
297.07541	6.1
305.08124	2.3
307.05920	1.9
308.06683	2.0
309.04041	1.6
309.07492	15.3
310.07822	0.8
311.05457	1.3
313.07028	89.4
321.07562	2.2
323.05515	1.3
323.09088	13.3
325.06912	1.5
333.07513	2.0
337.07022	35.9
343.08066	2.0
349.07053	6.6
351.08563	3.2
352.08557	0.9
361.07053	5.8
367.08078	26.2
379.08087	13.7
397.09137	23.3
398.09515	0.9
415.10202	46.8
416.10391	1.0
433.11279	100.0
434.11780	1.7
579.16986	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	578.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01860	5.1
55.05507	24.5
57.07070	3.9
62.94563	3.2
65.03929	5.0
67.05499	57.1
69.03432	28.0
69.07068	22.7
70.09569	15.9
71.04979	11.0
79.05492	42.4
81.03419	45.3
81.07052	67.0
83.04971	6.8
83.08629	7.5
85.02920	20.2
91.05472	38.6
93.07037	57.6
95.04963	14.6
95.08603	48.8
97.02892	20.7
97.06508	7.4
97.10204	6.2
99.04431	8.7
105.07013	29.3
107.08605	36.7
108.04485	5.2
109.02885	12.7
109.06491	6.7
109.10156	25.4
109.45824	3.9
111.04410	6.4
111.08087	6.1
117.07024	17.0
119.08562	30.3
121.06498	17.1
121.10135	27.2
123.08067	3.8
123.11710	6.7
127.03901	7.6
128.06241	6.0
129.07021	10.2
131.08591	31.5
133.10129	18.4
135.11688	16.8
137.09569	4.5
143.08580	9.3
145.06438	4.4
145.10118	16.3
147.08099	4.1
147.11670	12.1
149.09630	6.7
149.13264	10.2
155.08560	7.6
157.10115	6.9
159.11681	17.9
161.13229	10.7
162.93475	4.1
163.11200	7.4
169.10172	9.7
171.11716	7.1
173.13264	12.8
175.14859	5.0
177.12732	4.0
183.11664	5.5
185.09789	4.2
185.13271	10.5
187.14833	5.8
259.20618	7.9
261.22202	13.0
271.06015	100.0
277.14145	4.9
277.21652	7.1
283.05838	6.2
291.22968	5.4
303.23145	10.8
315.23318	6.0
320.01770	3.8
327.22989	4.8
341.24600	6.2
345.24258	5.8
351.23108	8.4
369.24124	19.5
387.25269	22.9
405.26361	31.7
410.61511	3.7
423.27621	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	578.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01875	1.2
57.03432	18.3
59.04996	0.7
60.04522	0.4
61.02919	6.0
61.03208	0.5
67.05501	0.4
69.03423	24.0
71.01346	2.4
71.04991	0.8
71.60287	0.3
72.04502	0.5
73.02910	42.1
81.03410	1.9
81.07054	0.4
83.04980	1.1
84.04521	0.2
85.02897	25.3
87.04457	1.7
91.03933	0.6
91.05451	0.3
95.04977	0.6
96.04485	0.4
97.02882	100.0
99.04452	1.4
101.02374	0.6
103.03931	1.0
107.04932	0.5
107.92580	0.3
108.08107	0.3
109.02874	1.2
109.06484	0.4
111.04422	0.8
114.05509	0.7
115.03916	37.1
116.10447	0.3
119.04945	0.7
119.08605	0.4
121.02820	0.7
121.10150	0.3
123.04404	0.8
127.03907	6.2
128.02365	0.3
128.85738	0.3
131.04893	0.4
131.08571	0.3
132.06551	3.5
133.04958	6.9
135.04396	0.3
138.05447	0.4
139.03879	1.8
143.03406	0.6
145.04948	6.6
149.04404	0.5
150.07599	4.5
153.01801	0.5
157.04956	1.2
162.07684	0.3
163.06007	3.2
165.05447	0.5
169.04941	0.8
171.08002	0.6
177.04015	0.3
177.05467	0.6
180.08664	0.5
181.04976	0.8
187.05846	0.3
193.04901	0.8
197.28752	0.4
199.05997	0.9
201.09116	0.6
203.65126	0.3
211.05988	11.0
217.07065	0.8
217.24683	0.3
223.06038	2.2
229.07056	9.5
241.07057	3.5
247.08182	1.0
259.08115	3.5
264.10733	1.3
265.09091	1.7
271.05988	17.6
282.11795	2.5
283.05933	0.9
284.06552	0.6
295.06638	0.4
295.10199	7.6
313.07047	1.1
337.07339	0.3
381.18842	0.3
397.09152	0.4
415.10074	0.4
433.11053	1.0
578.22137	1.4
578.31451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01855	0.6
57.03433	21.7
59.04993	0.8
60.17479	0.6
61.02919	8.2
62.30188	0.5
67.87756	0.5
69.03423	34.3
70.03732	0.4
70.14597	1.6
70.15002	0.9
71.01350	3.8
71.04966	0.8
73.02911	51.5
78.30873	0.6
79.05512	0.5
81.03411	3.3
83.04971	2.0
85.02898	37.7
87.04460	3.0
89.91743	0.5
90.64230	0.5
91.03954	1.3
91.05437	0.5
95.04958	0.7
97.02884	100.0
98.20890	0.6
99.04456	1.9
103.03948	1.8
107.04963	0.9
109.02846	2.7
111.04428	1.4
113.02387	0.7
115.03920	54.2
119.04942	1.0
120.71204	0.5
123.04466	0.5
124.39345	0.5
127.03912	11.0
127.04805	1.0
132.06570	0.9
133.04961	14.3
134.40916	0.5
135.08017	0.7
137.05988	0.8
139.03906	1.6
143.03387	0.9
145.04953	11.5
145.06129	0.6
147.04407	0.6
147.07994	0.6
149.04460	2.5
150.07617	2.0
153.01808	1.1
157.04953	2.1
163.03972	0.9
163.06017	4.9
169.04950	0.9
171.08051	1.4
175.07605	0.6
177.97569	0.5
181.04976	0.7
187.06020	0.9
192.08887	0.6
193.05013	1.0
199.06050	1.4
201.09090	1.8
211.05989	21.0
217.07147	1.8
223.05980	4.5
229.07057	13.5
231.10126	0.9
241.07066	6.6
243.10287	1.1
247.08154	1.6
259.08102	8.4
261.11215	1.5
265.09131	3.7
271.05994	32.6
277.09006	0.6
282.11823	0.6
295.10226	17.7
325.90115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03431	23.8
59.04988	0.8
61.02922	7.3
64.05505	0.5
65.03920	0.6
67.01855	0.6
67.05489	0.6
69.03423	38.8
69.31356	1.6
69.31775	3.7
71.01354	3.7
71.04977	0.7
72.04494	0.6
73.02911	50.1
75.39341	0.4
79.05493	0.5
81.03410	3.3
83.04964	1.5
85.02896	35.3
87.04465	2.5
91.03952	1.4
91.05494	0.6
95.04976	0.7
97.02882	100.0
98.03699	0.5
98.20753	0.8
99.04446	2.0
101.02351	0.7
103.03942	1.6
107.04939	1.2
109.02879	2.7
109.50273	0.4
111.04446	0.8
115.03919	50.6
119.04912	1.5
119.63160	0.4
121.02883	0.6
123.04446	0.6
127.03912	11.1
127.27268	0.4
129.07037	0.5
132.06564	1.6
133.04951	14.5
133.05966	0.8
135.04378	0.6
137.05940	0.8
139.03899	1.8
145.04953	11.8
145.06107	0.6
147.08043	0.7
149.04468	1.8
150.07594	2.2
151.03893	1.0
153.01842	2.2
157.04919	3.5
159.07974	0.6
160.05249	0.7
163.03925	1.5
163.05981	5.5
165.05444	0.7
169.04869	0.8
171.08076	1.8
179.63051	0.5
181.04968	1.2
193.04958	1.9
199.06006	1.9
201.09085	1.7
211.05995	20.5
211.07974	1.1
217.07112	1.9
223.05923	4.4
229.04865	1.1
229.07062	12.8
231.10281	0.6
241.07048	6.1
243.10202	1.4
247.08189	1.8
259.08109	8.2
261.11386	1.4
264.10696	0.7
265.09222	3.9
268.88449	0.5
271.05991	50.3
272.06348	0.5
277.09302	0.9
282.11880	0.5
295.10211	19.0
327.96475	0.5
330.14606	0.6
433.11414	0.6
512.29645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01878	3.6
55.05262	2.5
55.05505	31.2
57.03426	9.5
57.07068	5.2
59.04989	3.6
65.03931	3.1
67.05502	80.7
69.03418	5.2
69.07056	25.0
70.19975	6.2
71.04984	16.6
73.93003	2.3
75.53441	2.2
79.00832	2.3
79.05486	57.5
81.03410	22.5
81.07050	100.0
83.04974	11.2
83.08609	19.9
85.06542	9.0
91.05472	48.5
93.07038	59.6
95.04951	15.3
95.08598	63.8
97.06519	9.2
97.10147	17.9
98.21417	2.8
99.08083	3.2
102.06188	2.2
105.07026	57.4
107.04981	6.3
107.08587	42.1
109.06523	5.7
109.10147	30.5
111.08079	7.1
117.07006	15.6
119.08567	41.4
121.06530	3.5
121.10122	32.6
123.08060	7.6
123.11714	17.4
125.09629	14.3
125.23839	2.1
126.03069	2.0
129.06960	14.5
131.08562	35.7
133.10126	30.6
135.08051	4.9
135.11661	21.4
137.09634	5.4
137.13246	4.9
141.07013	3.2
142.07791	2.7
143.08554	13.6
145.10114	28.9
147.11685	27.5
149.09618	7.1
149.13234	7.6
155.08571	6.3
157.10123	12.6
159.11655	20.6
161.13240	11.1
163.11172	3.1
163.14792	3.1
165.12727	4.5
167.10602	2.7
169.10159	7.1
171.11717	15.8
172.78899	2.2
173.11868	3.2
173.13260	12.0
175.11259	5.4
175.14816	6.0
177.12790	4.0
177.16209	2.4
179.14328	2.9
181.10150	3.2
183.11659	6.1
185.13274	11.4
187.13290	2.2
187.14845	6.5
189.11224	8.1
189.12746	2.9
189.16458	2.6
193.12276	6.7
197.13258	5.1
199.14871	5.4
201.16467	2.6
207.11742	3.0
209.13177	2.7
223.14684	3.8
227.12701	13.9
227.18155	2.9
229.14375	2.9
239.16289	3.1
243.21021	3.1
259.20569	3.5
261.22095	8.7
264.97241	2.2
267.15875	32.4
273.22021	3.3
275.23499	3.0
283.20435	2.1
285.17026	4.3
285.22107	4.6
287.23679	3.7
289.21674	5.0
299.23404	2.7
301.20313	2.6
301.25174	11.1
315.23145	3.2
317.24643	4.2
325.24918	2.4
333.24149	3.4
335.25778	19.9
349.27444	2.7
359.25775	3.8
363.25455	6.9
373.27536	2.5
417.31540	5.1
435.27310	3.5
435.32486	23.6
445.68811	2.3
449.29453	2.4
453.33533	13.4
471.34515	8.0
509.36008	8.0
519.36652	2.8
527.37347	87.4
545.38318	64.9
546.38306	3.8
559.39984	17.5
577.41461	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	576.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01862	1.1
55.05504	1.4
59.21083	0.7
66.45451	0.8
67.05489	1.9
69.03411	3.2
69.07062	1.6
71.59783	1.4
71.64292	0.6
73.02901	0.8
79.05473	1.5
81.03405	1.8
81.07034	2.8
82.07371	0.7
83.04988	0.9
83.08592	0.8
85.02908	4.3
85.06521	1.2
89.06013	1.1
91.05468	6.2
93.07011	1.9
93.75720	0.7
94.04173	2.6
95.04964	1.8
95.08598	2.3
97.02890	2.3
97.06540	1.0
103.05460	3.4
105.07019	3.1
107.04952	2.3
107.08579	1.4
109.02894	0.9
109.06519	1.3
109.10169	0.7
110.10478	1.0
115.05442	1.7
118.52121	0.7
119.04938	3.7
119.08555	1.3
120.08087	3.5
121.06496	1.9
121.10090	1.6
122.03642	5.2
123.08021	0.9
125.06043	0.8
127.03893	1.7
129.07014	1.8
131.04921	8.7
131.08563	1.6
133.02855	1.1
133.06465	2.7
135.04369	1.2
135.08052	2.2
137.05968	100.0
138.06380	1.8
141.07010	0.8
143.08578	1.2
144.05763	1.0
145.06499	1.3
147.04410	3.3
147.11728	1.5
149.02374	1.1
149.05978	3.3
151.03850	0.9
151.07532	14.4
153.05615	1.0
157.06483	1.5
159.08008	1.8
161.06009	8.6
162.06740	1.2
163.07536	15.4
165.05467	1.1
165.06978	1.6
165.09064	1.3
166.08624	1.0
167.07019	1.3
167.08485	1.3
171.08014	1.2
174.06772	1.3
175.07538	10.7
177.09151	1.3
179.06967	1.2
187.07555	3.2
188.08414	1.1
189.09114	4.7
191.07121	0.8
195.08075	2.0
199.07593	1.1
201.09122	2.0
203.08731	0.9
203.10701	1.9
207.08083	1.1
211.07414	1.0
215.10599	1.1
218.07352	1.4
219.10068	1.1
221.06012	1.5
223.07491	1.4
224.08301	0.9
225.09111	1.1
227.10608	3.6
233.05908	1.0
233.09604	3.3
235.07672	1.1
237.09091	1.3
239.10699	1.5
249.09013	0.8
251.10756	1.7
253.08624	2.3
255.10051	1.7
261.09058	3.6
265.08582	1.4
265.12024	0.9
267.10147	1.4
271.05994	31.1
278.08896	1.0
280.11829	1.3
285.11252	2.5
287.12787	9.8
293.11694	3.0
297.11288	2.3
299.12750	2.6
311.12872	6.3
313.14325	2.8
315.12402	1.0
325.14386	2.2
329.13910	2.5
337.14413	1.3
349.14307	1.3
351.15906	9.9
363.15894	1.6
369.16852	5.6
381.16934	3.3
414.25299	0.9
475.21243	5.5
487.21213	2.1
493.22195	7.7
505.21945	2.3
546.17047	0.8
576.22809	1.2
576.30841	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Irumanolide I
Peak:m/z	Relative Intensity
53.03938	10.6
53.26285	4.4
54.95565	5.6
55.05499	24.8
57.03424	8.9
57.07064	6.4
58.10783	5.5
66.64299	5.1
67.05503	81.7
69.03417	16.2
69.07060	32.2
69.35927	56.1
79.05487	46.5
81.03418	26.1
81.07057	100.0
82.70383	5.2
83.04984	10.8
83.08589	17.3
85.02895	14.1
91.05470	38.0
93.07036	78.3
95.04984	8.0
95.08599	87.7
97.02876	10.2
105.07014	42.1
107.04987	13.4
107.08587	55.1
109.10145	32.1
117.06992	15.0
119.08576	49.1
121.10138	30.9
123.08097	8.7
123.11721	14.8
127.03937	8.3
129.07016	10.3
131.08562	35.3
133.10124	36.9
135.11653	37.7
137.13219	10.2
143.08563	18.5
144.09247	5.9
145.10129	48.5
147.11681	21.4
149.13252	8.7
157.10159	15.9
157.50392	5.2
159.11656	35.0
161.13222	13.7
163.14835	7.5
167.09674	6.1
169.10138	13.0
171.11661	16.8
173.13257	19.5
175.14786	10.0
177.12807	7.0
183.11719	6.7
185.13264	18.0
187.11176	8.1
187.14784	12.8
195.11742	6.6
197.13277	9.0
199.14833	12.2
201.16362	12.2
211.14934	5.8
213.16344	5.6
215.17805	6.9
223.13228	10.2
227.17882	6.7
241.14264	12.0
243.21094	7.2
261.22171	9.6
273.22046	6.6
279.15945	62.8
297.17044	15.0
335.25735	16.0
353.28638	6.6
356.51089	6.0
393.31137	7.9
395.33038	21.0
474.94296	5.9
516.56952	6.3
521.36542	10.6
539.37329	26.9
557.38397	91.9
575.40167	74.8
575.49310	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	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59753	2.6
52.80947	2.3
53.03936	10.3
55.05499	9.4
57.07073	3.1
57.40535	2.4
61.88282	2.1
65.03940	2.9
67.05167	4.2
67.05500	45.2
69.07044	8.7
70.14905	11.3
73.02908	2.7
79.05489	24.7
81.03417	21.2
81.07056	50.4
83.04956	4.4
83.08604	6.2
85.06533	4.4
87.04452	3.0
91.05487	14.5
93.06483	2.7
93.07046	37.5
95.01339	3.5
95.04946	11.5
95.08605	32.1
97.06501	3.7
97.10128	3.0
98.32599	2.3
99.08089	3.1
105.07023	9.8
107.04947	19.3
107.06387	2.4
107.08614	15.6
109.06510	4.0
109.10120	9.0
117.06995	10.0
119.08581	8.1
121.06531	5.2
121.10104	7.9
123.08035	11.8
131.08546	12.0
133.10114	8.7
135.11674	15.1
141.06996	4.6
145.06474	12.0
145.10109	7.6
147.11661	4.7
149.13246	8.9
157.10155	2.9
159.11668	14.3
161.13208	4.0
169.10072	6.1
177.12677	8.4
185.57707	2.8
187.11130	14.0
195.13742	4.9
197.10313	2.8
223.13292	6.4
241.14297	22.5
261.22061	9.7
265.59854	2.4
279.15900	100.0
279.23050	3.9
297.16946	20.4
335.25745	14.7
405.89124	2.7
539.36975	9.3
557.38452	22.7
575.41675	38.4
575.50110	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	575.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94965	1.3
53.03946	7.1
53.17878	1.5
54.71736	1.2
55.01881	8.8
55.05500	8.4
56.38772	1.4
57.03428	7.2
57.07070	3.5
59.48219	1.2
61.02917	5.1
67.05505	15.0
68.99783	2.7
69.03428	40.5
69.07066	14.1
69.33006	1.9
69.33410	14.0
71.01362	2.0
71.04983	7.6
73.02914	4.2
79.05489	11.9
80.82877	1.5
81.02972	2.1
81.03415	26.6
81.06305	1.5
81.07054	38.1
83.04964	1.8
83.08614	7.7
85.02901	100.0
85.06499	1.9
87.00827	45.5
91.03932	1.6
91.05491	5.6
93.07047	19.2
95.04966	5.3
95.08602	39.4
97.02891	40.7
97.10150	5.6
99.04442	14.0
105.01863	62.9
105.07011	10.9
107.04953	2.1
107.08579	18.1
109.02879	28.4
109.06543	2.0
109.10153	21.7
111.04458	2.3
111.11707	4.8
115.03925	2.4
117.01847	3.0
117.07034	1.5
119.08582	10.1
121.06492	1.4
121.10141	12.7
123.04433	3.2
123.11712	12.6
125.13262	2.8
127.03910	67.6
129.01823	3.0
131.08568	3.2
133.10086	6.4
135.08092	1.6
135.11687	15.2
137.05980	1.9
137.09563	1.6
137.13274	10.2
139.03932	1.6
143.08572	3.0
145.04945	28.6
145.06212	1.6
145.06613	1.5
145.10191	3.6
147.11720	4.3
149.13242	13.8
151.14842	2.3
157.10136	2.5
159.02898	11.8
159.08133	1.3
159.11691	3.7
161.09550	1.2
161.13261	4.8
163.14775	7.6
165.16370	2.2
173.04472	2.7
173.09665	1.9
173.13251	1.5
175.14815	4.1
177.16382	5.8
189.03935	3.6
189.16321	2.7
213.03946	3.8
217.19559	1.9
231.05016	18.6
247.24460	1.6
249.06056	6.1
273.25745	7.2
287.09058	4.7
288.09448	6.5
289.09732	4.9
291.26785	5.1
309.28000	4.3
381.27905	4.2
387.29263	2.0
399.28802	6.4
417.29855	2.7
462.30487	1.2
475.53421	1.3
485.29031	2.3
503.30042	4.4
521.31207	2.6
530.70544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
67.53437	0.3
69.03423	0.3
69.30656	2.8
71.04988	0.3
74.89010	0.3
79.05485	0.5
81.03420	0.4
81.07052	0.4
83.04958	0.4
85.02897	1.0
91.05462	0.3
95.05013	0.3
95.08604	0.4
97.02884	0.8
98.20750	0.6
105.07027	0.6
107.04962	0.4
107.08594	0.4
109.02852	0.4
121.06486	0.3
125.05976	0.7
127.03909	0.4
133.06448	0.3
137.05983	0.9
142.08630	0.8
143.07057	0.4
145.10101	0.9
151.76163	0.3
159.04173	1.0
159.11761	0.4
167.07066	0.8
169.10115	0.3
173.09628	0.4
177.05345	0.4
178.05090	0.3
185.04280	0.6
197.11507	0.3
206.04478	0.5
209.07935	0.3
209.11670	0.3
215.10698	0.6
233.11766	0.7
246.12228	0.3
247.98952	0.3
367.11316	0.3
379.11652	0.4
382.14072	0.7
383.14572	0.4
397.12582	0.9
412.14923	2.6
413.15570	5.3
575.20953	100.0
576.21509	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01857	2.4
55.05508	17.3
57.03428	3.6
57.07070	7.2
59.04999	17.9
60.69756	1.1
61.02920	2.2
62.00312	1.1
67.05499	21.3
69.03117	1.4
69.03426	14.5
69.07063	43.1
69.30939	6.7
69.31371	7.3
71.01332	1.3
71.04985	4.3
71.08631	1.7
73.02898	1.8
79.05485	17.7
81.03414	12.2
81.07050	87.5
83.04958	3.8
83.08611	15.8
83.09064	2.4
84.53553	1.1
85.02898	25.3
85.06530	3.7
87.00819	10.1
91.05464	9.8
93.07038	39.9
95.04971	6.2
95.08599	100.0
97.02878	9.7
97.06535	8.2
97.10169	8.1
99.04446	5.3
99.08083	2.5
105.01877	8.4
105.07023	13.7
107.04935	2.9
107.07862	1.6
107.08587	36.1
109.02859	8.4
109.06496	3.7
109.10146	47.1
111.08061	3.6
111.11703	9.5
117.06995	1.5
119.08566	11.4
121.06509	1.7
121.09306	2.4
121.10139	37.0
123.04406	3.1
123.08052	2.0
123.11710	30.3
125.09654	1.4
125.13229	1.2
127.03915	13.5
131.08548	4.9
133.10121	11.0
135.07994	1.7
135.11687	36.7
137.06024	2.5
137.09564	1.2
137.13245	44.0
139.03899	3.0
139.11174	10.3
145.04929	3.6
145.06564	1.2
145.10103	2.8
147.11684	9.3
149.09644	1.4
149.13242	39.5
151.11179	1.5
151.14720	1.8
153.12753	2.4
159.02902	3.6
159.08046	1.3
159.11644	7.1
161.09665	2.2
161.13257	8.8
163.14902	6.3
163.16104	1.4
164.81374	1.6
165.12762	2.3
167.14249	1.4
173.09554	1.5
173.13271	5.2
175.14812	7.6
177.05502	1.5
177.12827	1.6
177.16373	4.2
187.14812	4.1
189.16370	4.6
191.17981	2.2
201.16333	3.8
203.17998	2.5
205.19507	5.1
215.17874	3.1
219.21024	2.4
231.05066	1.8
231.21069	13.4
245.22617	2.6
249.22289	2.3
267.23257	1.4
271.24210	9.8
277.25348	6.0
287.09109	1.4
289.25250	28.5
295.26498	1.4
297.54285	1.2
307.26279	17.8
325.27368	3.4
394.25290	1.3
397.27271	1.6
404.37573	1.1
412.45425	1.2
415.28430	3.6
519.29462	2.0
573.30066	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82002	1.6
53.03939	5.8
55.01862	6.6
55.05500	19.4
57.03428	5.0
57.07062	8.1
61.02919	6.3
65.03941	2.1
66.70576	1.9
67.05498	36.3
68.99754	1.8
69.03429	32.9
69.07062	32.9
69.92416	4.0
69.92828	7.2
71.04983	6.4
73.02908	4.0
79.05486	21.9
81.03411	23.5
81.07052	100.0
83.04950	4.6
83.08620	14.7
85.02898	63.2
85.06532	22.6
87.00828	26.6
88.29669	1.8
91.03931	1.9
91.05474	22.0
93.07037	49.6
95.04963	7.2
95.08600	89.2
97.02886	24.2
97.06531	5.4
97.10169	10.3
98.21469	3.3
99.04462	8.8
99.08079	12.7
105.01862	25.6
105.07024	34.0
107.04944	1.9
107.08591	45.9
109.02869	20.6
109.06493	3.7
109.10148	55.7
111.08073	7.4
111.11700	6.9
112.61832	1.9
113.09649	7.8
117.07030	4.6
119.08575	29.7
121.06425	2.6
121.10136	36.1
121.11000	1.7
123.08081	4.2
123.11695	23.3
125.09628	7.2
127.03910	47.1
127.11227	2.9
129.06996	3.3
131.08591	8.4
133.10110	28.4
135.08063	3.8
135.11678	30.0
137.05959	16.8
137.09654	8.7
137.13246	9.3
138.06363	5.8
139.11137	10.4
143.08562	2.1
145.04965	14.2
145.10101	14.8
147.02925	2.3
147.11658	23.8
149.13249	31.8
151.07507	2.1
151.11183	3.2
151.14822	3.3
153.12723	2.4
155.10666	6.6
157.10152	2.9
159.02895	11.0
159.11679	13.4
161.13222	21.2
163.07446	2.0
163.14784	17.6
165.12772	6.5
167.06970	2.7
169.10075	2.3
173.13297	10.5
174.12117	1.7
175.14821	14.4
177.05533	1.7
177.16364	12.1
179.14360	4.1
179.17966	3.3
187.11113	1.6
187.14836	7.0
189.16382	12.9
191.17889	2.3
193.15814	3.1
195.17444	2.6
201.16385	6.4
203.17920	4.6
205.19473	2.3
207.17599	4.3
215.17857	11.0
217.12828	1.7
217.19617	2.4
219.17339	2.1
231.05013	7.9
231.21027	2.6
233.19110	4.0
245.22597	2.7
247.20569	1.8
259.24197	2.1
271.24179	22.4
277.25293	9.7
289.25223	45.8
289.28305	3.0
295.26453	3.2
307.26260	28.0
325.27332	14.8
573.28589	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	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01868	4.4
55.05512	19.1
57.03429	4.6
57.07079	8.3
57.87919	1.3
59.04992	2.6
61.02914	2.5
62.34562	1.2
65.03938	2.3
67.05161	2.5
67.05503	28.1
68.99792	1.8
69.03426	28.8
69.07066	44.4
71.04984	9.6
71.08653	2.1
71.60796	1.4
73.02930	2.7
77.03959	1.3
79.05491	22.3
81.03418	21.4
81.07053	100.0
83.04975	5.7
83.08625	16.2
85.02909	27.1
85.06561	4.8
85.10236	1.9
87.00830	7.7
87.04453	1.3
91.05479	18.1
93.07040	55.7
93.07623	2.9
95.04974	14.3
95.08606	66.4
97.02903	14.9
97.06521	7.2
97.10162	7.8
99.04448	9.6
99.08071	2.6
103.05413	2.0
103.71556	1.3
105.01882	4.8
105.07027	29.1
107.04977	2.6
107.08587	35.3
107.09289	2.8
109.02869	16.8
109.06508	7.1
109.10152	42.6
111.04465	2.5
111.08092	5.0
111.11713	7.1
117.02605	1.6
117.07016	3.2
118.83926	1.3
119.08576	18.9
121.06495	3.3
121.10147	39.3
123.04409	2.0
123.08152	2.8
123.11706	26.5
125.05980	1.5
125.09633	3.4
125.13218	2.4
127.03913	26.2
127.04790	2.1
129.06975	1.3
131.08551	7.1
132.89870	1.3
133.10138	13.7
135.08063	3.7
135.11687	22.8
137.06024	4.8
137.09624	4.8
137.13258	19.6
139.11166	6.6
143.08598	3.5
145.04942	5.3
145.10121	11.6
147.11699	13.7
149.09633	2.7
149.13254	15.9
151.07596	1.4
151.11194	5.5
151.14861	3.6
153.12737	6.1
155.10690	1.9
157.10100	2.9
159.02895	2.6
159.11673	8.7
161.13254	7.5
163.11208	4.5
163.14833	5.2
165.12766	2.7
167.07065	4.3
167.10709	1.9
167.14317	2.3
169.12241	2.8
173.13261	4.0
175.14815	7.0
177.12799	2.8
177.16451	4.3
179.14365	2.6
179.17873	1.6
181.12329	3.8
182.58228	1.5
185.13286	2.4
187.14857	4.0
189.03894	2.1
189.16344	3.1
191.17992	3.2
201.16403	2.9
213.03914	5.5
215.17990	4.5
216.34187	1.6
219.21164	1.4
221.15446	1.8
231.05034	11.3
245.22624	2.0
249.05984	2.7
269.07544	1.4
271.24200	5.7
277.25339	1.6
287.09131	3.8
289.25226	9.7
295.26324	4.3
305.24857	2.1
307.26288	21.2
325.27444	7.8
349.23495	15.6
411.23538	24.1
415.28357	3.1
501.28485	1.7
519.29529	4.8
537.30469	3.7
555.31152	2.0
573.28754	33.7
579.90594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01866	7.6
55.05506	13.6
57.03423	6.5
57.07070	15.2
59.04984	2.3
61.02916	5.9
65.03917	2.1
67.05500	32.5
67.89249	1.4
68.99828	1.7
69.03428	29.7
69.07063	43.5
70.23816	6.0
71.04984	8.2
71.08630	9.0
71.33812	1.4
73.02895	5.5
74.83177	1.3
79.05485	24.3
81.03419	22.3
81.07051	97.5
83.04958	6.6
83.08610	12.8
85.02899	64.3
85.06544	6.0
87.00819	24.6
91.05479	22.3
93.07037	51.1
95.04945	12.4
95.08601	100.0
97.02878	22.5
97.06522	6.5
97.10172	9.7
99.04445	11.0
99.08089	1.9
101.06057	2.0
103.05464	2.1
105.01863	18.7
105.07021	34.7
107.04980	2.1
107.08588	50.8
109.02879	17.7
109.06496	5.3
109.10152	68.6
111.04462	1.4
111.08071	6.0
111.11704	8.9
113.09657	2.5
115.03905	2.2
117.01835	1.8
117.06998	3.3
119.08575	33.3
121.06464	2.5
121.10135	63.8
123.08067	2.5
123.11701	38.0
125.09640	2.0
125.13248	2.1
127.03908	33.9
127.11155	2.5
129.01784	2.0
131.08553	8.3
133.10121	29.5
135.08040	2.7
135.11682	33.4
137.05983	5.1
137.09615	8.2
137.13239	28.2
139.11192	5.9
141.12720	4.8
143.08574	3.1
145.04953	11.8
145.10097	15.0
147.02876	2.1
147.11676	25.1
149.09590	2.8
149.13248	26.1
151.11168	5.0
151.14771	2.7
153.12761	2.5
155.10643	6.6
156.09340	1.6
157.10143	5.0
159.02864	9.9
159.07986	1.9
159.11685	16.0
161.13269	13.7
163.11256	1.6
163.14807	12.0
165.12761	7.9
165.16455	1.8
167.07036	4.0
167.14261	4.0
169.12204	2.0
171.11668	2.7
173.13266	5.1
175.07457	2.6
175.11169	2.7
175.14790	8.5
177.16380	59.4
179.14287	2.8
179.17937	4.9
185.13210	1.9
187.14803	8.2
189.03949	2.0
189.16339	10.1
191.17953	3.1
195.17429	9.5
197.19028	1.9
199.14954	1.8
201.16412	7.6
203.17975	3.9
213.18451	2.0
215.17982	9.4
218.74358	1.6
231.05035	6.6
231.21187	1.6
233.18819	2.1
245.22478	2.7
259.24222	8.9
261.25537	1.9
271.24167	25.2
273.41525	1.4
277.22046	2.3
277.25232	8.7
289.25259	23.0
307.26270	17.1
325.27423	11.3
349.23376	3.7
411.23578	2.0
519.29309	2.0
537.30341	1.9
573.28888	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01866	7.3
55.05507	14.7
57.03421	6.8
57.07073	2.8
60.02802	2.1
61.02913	2.6
65.03925	3.1
67.05502	43.6
68.99809	2.5
69.03422	28.8
69.07071	40.0
71.04986	5.3
71.63319	4.7
73.02892	6.4
77.14504	2.1
78.04705	2.4
79.05055	2.7
79.05493	30.3
79.59917	2.2
81.03420	20.6
81.07054	91.9
83.04971	6.5
83.08607	14.7
85.02898	51.9
85.06527	3.4
85.10152	2.6
87.00814	17.1
91.05470	25.6
93.07034	61.0
95.04948	7.3
95.08602	100.0
97.02884	18.9
97.06515	3.9
97.10165	9.8
99.04474	10.2
99.08082	2.7
103.05445	3.2
105.01851	18.7
105.07024	31.0
107.04951	3.1
107.08588	47.9
109.02875	20.5
109.06504	5.3
109.10155	74.9
111.04434	3.2
111.08064	5.2
111.11736	4.9
113.09598	2.7
115.03915	2.3
117.07004	5.0
119.04936	2.3
119.08577	35.2
121.06490	4.3
121.10138	42.5
123.04427	2.1
123.08004	2.8
123.11700	29.1
125.05894	2.2
125.09640	4.4
127.03909	32.1
131.04926	5.3
131.08585	10.7
133.10120	28.4
135.08043	3.4
135.11678	33.3
137.05963	8.4
137.09598	9.1
137.13295	7.1
139.11172	6.9
143.08575	4.1
145.04935	7.9
145.10133	19.0
147.11670	20.3
149.13258	30.6
151.07513	3.3
151.11159	5.0
151.14821	7.0
153.05522	2.6
153.12680	3.3
155.10699	4.1
157.10078	3.0
159.02861	8.2
159.11650	16.3
161.09654	2.9
161.13234	15.9
163.11160	2.3
163.14809	15.6
165.12791	5.9
165.16475	3.1
167.07069	2.8
173.13223	7.4
175.14825	10.9
177.16409	9.9
179.14337	2.4
179.18057	3.0
187.14812	6.9
189.12648	2.5
189.16385	10.2
191.17921	2.6
195.17368	4.6
199.59294	2.0
201.16451	6.5
203.18042	5.3
207.17365	3.0
215.10593	2.8
215.17929	8.7
231.05026	6.1
245.22591	3.4
247.24342	2.1
259.24268	9.1
271.24203	33.4
277.25186	9.0
283.10770	2.9
289.25192	23.2
295.26297	3.7
307.26285	20.1
325.27383	8.1
339.33621	2.2
349.23428	6.6
350.99493	2.4
411.23404	7.3
433.16235	6.0
434.17102	3.7
485.18707	2.3
573.20007	11.8
573.28497	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01868	4.0
55.05506	5.1
57.03423	1.1
57.07059	2.8
57.95570	0.6
59.04996	1.7
60.99955	0.6
65.03934	1.2
67.05498	7.6
68.99770	2.3
69.03425	8.8
69.05523	0.6
69.06712	1.1
69.07065	14.9
71.01360	0.8
71.04984	1.6
71.08588	0.8
71.63601	0.7
73.06486	0.6
77.03914	0.8
79.05490	6.1
81.03417	5.5
81.07050	14.0
83.04984	1.8
83.08615	6.3
85.02898	7.1
85.06516	1.3
87.00819	2.6
87.04465	1.3
91.05467	6.6
93.07036	28.8
95.04961	10.7
95.08598	15.2
97.02914	3.8
97.06522	2.2
97.10159	2.1
98.00405	0.6
99.04440	1.6
99.08093	1.0
103.05472	10.4
105.01859	1.9
105.03372	1.5
105.07036	5.6
107.04925	3.1
107.08592	8.5
109.02885	5.9
109.06507	1.7
109.10137	7.5
111.04441	2.3
111.08061	3.6
111.11691	1.4
115.05460	1.6
117.07008	1.8
119.04951	1.1
119.08553	3.2
121.02919	0.8
121.06483	1.7
121.10147	9.2
123.04420	16.2
123.08073	1.0
123.11677	6.1
125.05986	1.7
125.09615	1.5
127.03894	8.5
128.06166	0.8
129.06998	1.6
131.04921	11.6
131.08611	1.1
133.10114	2.6
135.04416	1.8
135.08084	1.3
135.11697	3.6
137.02325	1.0
137.05975	2.9
137.13264	1.9
139.03896	37.1
139.11171	2.7
141.05441	1.2
141.06967	1.8
143.08525	1.3
145.04948	0.8
145.06479	1.9
145.10107	3.5
147.04378	2.9
147.11658	1.9
149.05968	6.5
149.13295	3.4
151.03894	100.0
151.11128	1.1
152.04248	1.7
152.06230	2.2
153.05457	19.2
153.06889	2.0
154.59808	0.7
155.08578	1.0
157.06418	1.3
157.10121	1.6
159.02855	0.8
159.07976	1.1
159.11678	3.6
160.05257	0.7
161.05949	2.1
161.13216	2.1
163.03909	8.5
163.07578	1.4
163.11200	1.7
163.14832	1.5
165.05472	5.2
165.06975	2.9
166.07759	0.7
167.07166	1.3
167.08501	6.5
167.14380	1.3
168.05682	0.9
169.04918	2.3
169.06503	2.1
171.04401	1.1
171.08035	1.9
173.06020	2.0
173.13202	1.1
175.03909	2.8
175.07529	1.9
175.14778	1.1
177.05495	13.2
177.06964	1.9
177.16341	0.8
179.03424	5.8
179.07036	6.7
181.04906	1.8
181.06483	3.1
183.04411	1.1
183.08022	3.1
184.05109	1.0
185.05971	1.8
185.09560	1.9
185.15417	1.1
187.04010	1.0
187.07562	2.1
189.05482	4.5
190.06244	1.2
191.07030	2.4
191.17850	0.7
193.04951	9.9
193.06525	1.2
195.06503	1.4
195.08057	7.6
197.05960	3.8
199.03976	1.1
199.07536	3.2
200.04642	2.9
201.05466	2.9
201.09074	0.8
203.07022	1.4
205.04868	1.7
205.06519	2.1
205.08601	3.4
207.08112	1.0
207.17406	0.8
208.05360	0.8
209.05957	1.2
209.19017	0.8
211.07582	4.6
213.05501	5.5
213.09068	2.2
215.06961	3.0
217.04971	1.3
217.08527	1.3
218.05740	4.7
219.06366	1.0
221.05865	1.0
222.06735	0.9
223.07474	4.7
225.05481	2.2
225.09235	1.0
227.07037	3.8
229.04996	2.8
229.08624	2.5
229.19574	0.8
231.06651	1.8
235.07550	1.1
239.07056	3.9
241.04883	3.8
241.08618	3.7
243.06519	8.5
245.08067	8.9
246.05223	2.9
247.05988	2.7
251.07050	2.5
253.04938	0.8
253.08586	1.9
255.06386	3.3
257.08087	5.0
259.09705	2.5
267.06473	1.3
269.08063	7.5
271.05682	1.0
271.09750	1.6
271.24185	2.5
279.06488	1.3
281.08041	1.7
285.07452	4.0
287.09137	48.8
289.25247	5.1
295.26376	2.1
297.07248	0.9
299.09058	4.3
301.08591	0.9
303.06543	1.0
307.05780	0.9
307.26306	11.9
313.08536	1.0
325.14569	0.9
325.27316	6.0
333.07642	0.8
348.09805	1.2
364.09451	1.1
373.10953	1.5
376.09302	2.0
391.11896	4.0
393.13498	1.1
399.12418	1.0
401.09940	1.3
405.13004	0.9
409.12781	2.4
415.28384	1.5
417.13153	1.9
419.11227	5.3
425.12253	1.8
429.13312	0.9
435.14157	3.1
437.12320	18.7
514.12653	1.1
519.29254	1.0
532.13177	1.1
555.16321	2.5
555.30646	0.8
573.17139	9.3
573.28766	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	573.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71141	0.8
53.03939	1.7
55.01867	3.5
57.03415	1.0
60.12500	0.8
65.03931	2.3
65.31076	0.7
67.05504	1.7
68.99790	3.6
69.03424	2.4
71.01334	1.7
71.03829	1.2
79.05480	2.1
81.03426	0.9
83.01340	1.2
83.04984	1.7
85.02914	1.4
91.05468	2.9
93.03374	1.0
93.07064	1.4
95.04974	3.2
97.02904	2.1
103.05494	1.3
105.07066	1.7
107.04965	1.3
109.02884	1.0
109.06511	1.5
111.04440	4.6
115.05452	2.2
117.07012	1.0
119.04950	1.7
123.04420	7.3
125.02341	9.4
126.07894	0.9
128.06281	1.1
129.06950	1.0
131.05008	1.0
135.04433	0.9
137.06000	4.2
139.03897	89.0
141.06992	1.5
143.08592	1.5
145.06462	5.6
147.04405	1.7
151.03902	3.9
152.06171	1.4
153.05489	2.3
153.06990	3.7
155.08615	2.0
157.06487	2.0
159.07997	1.1
160.05295	1.3
161.05984	6.1
163.03906	12.3
163.07533	8.5
165.05478	4.0
165.06966	2.0
167.07298	1.1
167.08527	5.7
169.06549	2.0
171.08064	3.1
173.05968	2.2
175.03889	4.2
175.07536	1.7
177.05476	31.3
179.07068	1.0
181.05069	1.3
181.06517	5.5
183.08076	4.1
185.05994	2.1
185.09612	1.9
187.03899	1.8
187.07558	3.2
189.05473	3.1
194.07257	1.1
195.08075	9.0
197.05995	2.1
198.06741	1.8
199.07513	9.3
200.04831	1.2
200.08340	1.0
201.09151	3.1
203.07005	1.3
211.07634	1.4
213.05473	2.2
213.09048	6.9
215.07066	3.4
217.04997	1.7
217.08609	3.1
223.07433	5.0
225.05447	1.6
226.06190	2.5
227.07053	3.9
228.04259	1.5
229.04980	3.2
229.08594	2.2
231.06474	1.9
241.08580	10.0
243.06577	2.8
245.08125	3.7
245.52228	1.0
247.06007	1.8
251.06992	4.3
259.05942	2.5
259.09671	4.1
269.08090	9.4
273.05405	1.2
273.08859	0.9
286.62396	0.9
287.09146	100.0
288.09460	2.4
291.06525	1.3
297.08939	1.3
303.06543	1.2
313.05026	0.9
313.08472	1.5
314.08942	1.2
315.06433	1.9
317.08118	1.6
319.06158	1.3
326.09830	0.9
327.06479	1.8
328.07446	1.2
329.08139	2.7
331.06067	1.5
332.06958	1.1
333.07809	1.6
334.08298	1.4
335.05444	2.3
335.09402	1.5
337.11072	1.7
341.04306	1.1
341.08139	1.4
342.05075	1.1
342.08957	1.4
343.05923	1.2
344.06702	1.0
345.07578	1.7
347.05490	1.6
347.09216	1.5
351.08847	1.4
353.10590	1.6
355.06006	2.0
357.07495	2.2
357.11395	1.8
359.09155	1.5
360.06116	1.7
361.07053	1.6
361.11066	1.5
363.08792	2.2
370.08496	2.5
371.09201	2.2
375.08588	4.9
375.12680	2.1
376.09238	2.5
383.13058	2.2
385.10788	1.4
387.08621	3.6
387.12897	1.6
388.09378	6.1
389.14124	1.2
391.11847	2.9
393.13605	1.5
395.11057	1.4
399.12213	2.8
403.11823	8.7
405.13351	1.1
411.12408	5.9
417.13254	11.6
429.13297	6.8
435.14288	2.4
449.06256	1.6
455.07343	2.0
478.10248	4.7
495.14029	1.3
496.11542	2.1
514.12384	3.0
519.14337	3.6
537.15546	10.6
555.16443	4.7
573.17529	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	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.29846	0.4
55.01853	2.0
55.05495	1.3
65.03936	1.7
67.05484	1.9
67.58386	0.5
68.99780	2.6
69.03413	2.1
70.54655	0.7
70.55004	1.9
71.01327	0.5
74.50244	0.5
79.05486	1.5
81.07032	1.9
83.04979	2.0
84.06676	0.5
85.02894	0.7
88.13840	0.5
91.05473	4.0
93.03389	1.2
93.07032	2.1
95.04948	2.2
95.08577	1.7
97.02886	1.0
103.05453	3.1
105.07052	0.7
107.04939	1.1
107.08587	0.6
109.06504	0.9
109.10145	1.0
111.00772	0.5
111.04440	5.0
115.05510	0.6
119.04927	1.5
121.06482	0.5
121.10145	0.9
123.04422	3.7
125.05992	0.6
127.03944	0.7
128.06161	0.9
131.04897	0.9
133.06499	0.7
135.11668	0.6
137.05981	2.8
139.03891	100.0
141.06995	0.5
145.06447	1.0
147.04391	1.4
151.03900	3.8
153.01889	0.8
153.05453	2.0
155.04953	0.5
157.06610	0.7
161.06024	1.7
163.03903	17.5
163.07547	1.7
165.05478	4.3
165.06795	0.8
169.06429	1.3
170.20982	0.6
171.08083	0.8
175.03922	2.8
177.05460	48.9
179.03482	0.7
179.07022	1.2
181.04987	1.2
181.06456	1.7
183.08008	1.0
185.05959	0.7
187.03894	1.0
189.05446	1.2
197.06058	0.8
199.03815	0.5
199.07536	2.0
201.05463	1.2
203.06950	0.7
203.08704	0.6
211.07457	0.9
213.05479	1.1
215.07082	1.6
217.04942	1.2
217.08524	0.7
223.07634	0.6
227.07086	1.5
229.04913	1.3
229.08560	3.3
235.07472	0.6
241.08539	1.0
243.06512	1.7
247.05893	1.0
249.08980	0.5
251.07210	0.5
255.08272	0.9
256.08734	0.6
260.08401	0.8
263.06894	0.9
268.08743	0.9
271.07697	0.8
272.08231	0.6
273.09064	1.1
274.06540	0.6
275.06815	0.7
287.06671	1.3
287.09250	1.7
288.07785	1.2
289.05127	1.0
289.08374	0.9
291.06589	0.6
293.09647	1.1
295.05841	0.6
297.08899	0.7
299.06979	1.3
301.05151	0.8
301.08670	1.3
302.05746	0.6
303.06589	1.2
305.08099	0.5
308.08179	0.6
309.08786	0.7
311.06891	0.5
312.07751	0.8
313.05035	0.7
313.08615	1.4
314.05643	0.9
314.09305	1.0
315.06540	2.1
316.07324	1.3
317.04526	1.1
317.08081	1.8
318.28979	0.6
319.05908	1.6
319.09598	0.9
325.08386	1.0
327.06476	2.8
328.07202	0.7
329.08118	3.3
329.11508	0.8
330.08823	1.4
331.05966	1.8
331.09683	0.8
332.06778	1.0
333.07486	1.2
334.04712	0.9
334.08368	1.4
335.05603	2.4
335.09070	0.8
337.11185	1.3
339.06433	0.8
339.10080	1.6
340.07144	1.0
341.04465	0.6
341.08109	2.1
342.05157	0.9
342.08862	3.0
343.06085	1.9
343.09647	1.2
343.13266	0.6
344.06625	1.1
345.07559	1.7
345.11200	0.7
347.05551	2.3
347.09277	0.8
348.09906	0.8
350.08139	0.8
351.08603	2.3
353.10571	1.5
354.08853	0.6
355.06039	1.7
355.09842	0.7
355.13513	0.6
357.07477	2.5
357.11285	1.6
358.08191	1.2
359.05435	2.0
359.08942	1.1
359.12900	0.7
360.06235	1.1
361.06812	3.1
361.10806	2.1
362.07697	1.4
363.08667	2.6
364.09442	0.9
365.11694	1.2
369.07605	1.5
369.11584	0.7
370.08365	2.8
371.05093	1.0
371.09137	2.9
371.13138	0.8
373.06891	2.2
373.10904	1.2
374.07782	1.0
375.08591	6.0
375.12479	2.0
376.09164	3.3
377.09988	0.7
379.11884	1.0
383.12875	2.1
385.10825	2.2
387.08176	2.8
387.12457	1.6
388.09393	6.9
389.10034	1.4
389.14404	0.7
391.11954	3.1
393.13351	1.2
399.12527	2.8
401.14084	1.2
403.11710	10.7
404.12402	0.7
405.13681	0.7
407.15170	0.6
411.12439	6.8
417.13370	12.5
429.13321	8.8
435.14340	2.0
449.06589	1.0
455.07858	0.8
473.08728	0.7
478.10596	2.1
496.11423	2.0
509.15408	0.6
514.12622	3.9
519.14117	2.7
527.16949	0.6
537.15436	6.7
555.16327	3.4
573.17267	1.4
573.26807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83861	0.9
54.64687	0.9
55.05497	3.6
55.23729	0.8
57.07074	29.9
61.98268	0.8
67.05498	1.9
69.07079	2.1
71.03308	2.1
71.08627	28.4
71.55081	1.0
73.06556	10.0
81.07050	2.5
83.08624	5.4
85.10180	27.8
87.04468	6.6
89.06030	100.0
93.07034	1.3
97.10142	1.4
98.98464	1.0
99.11726	2.4
107.07061	5.9
107.08573	0.9
113.75507	0.9
117.09138	6.3
130.08623	3.8
131.06995	2.1
133.08598	58.2
141.16399	4.5
161.11768	1.6
177.11212	25.8
177.12679	1.9
181.72383	0.9
185.19025	5.6
221.13802	5.9
226.21741	2.1
229.21625	15.2
233.29143	1.0
237.16360	1.0
239.14886	3.8
273.24243	10.2
283.17551	2.5
313.27237	2.2
314.66556	0.9
327.19904	1.9
360.50766	1.0
371.22723	1.8
382.00699	1.0
383.44257	1.0
404.58923	1.0
415.25372	6.2
467.35834	2.0
555.41071	15.2
572.43768	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	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.65394	1.4
55.01870	3.7
55.60717	1.6
56.96547	3.2
57.03429	2.0
61.02912	3.0
69.03434	7.6
71.62498	2.7
73.02905	3.2
79.05486	2.8
81.03422	3.5
83.04975	2.3
85.02915	20.2
89.81741	1.5
91.05485	9.2
93.07036	4.0
94.56813	1.4
95.04969	2.6
97.02885	9.8
98.97565	2.1
103.05468	4.4
105.07024	7.4
107.04966	6.9
109.02878	3.8
115.03973	2.4
119.04924	8.1
121.02889	1.7
121.06514	18.2
122.03640	2.2
127.03917	10.0
130.04152	2.0
131.04929	5.4
133.02859	11.5
133.06480	7.4
135.04399	5.2
137.05974	65.8
145.04956	2.6
145.06529	2.0
147.04387	17.1
149.05972	48.7
150.06761	7.9
151.03830	2.3
151.07564	4.9
153.05418	4.4
161.05980	100.0
162.06743	8.9
163.07550	9.4
167.07025	6.3
175.07498	11.1
177.05489	10.8
179.07021	35.6
187.07556	2.5
191.05531	1.6
191.06932	8.0
193.06544	3.2
195.06534	11.6
203.07022	72.9
207.08238	2.3
207.10121	3.1
210.06752	3.4
215.07042	3.2
221.06033	4.8
221.08064	56.2
224.08347	2.1
225.09117	5.4
229.08717	3.8
233.08063	12.5
237.02693	1.7
253.08586	10.0
257.07745	1.7
265.08536	2.4
267.10153	4.7
275.09116	4.5
282.09106	1.6
285.11194	31.1
285.14273	2.3
293.10043	3.9
297.11240	9.0
309.11078	4.3
311.11227	11.4
323.11179	3.1
325.07169	2.1
325.10739	2.4
327.12241	35.4
339.12292	5.8
345.13287	29.1
357.13379	5.6
579.17480	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.65394	1.4
55.01870	3.7
55.60717	1.6
56.96547	3.2
57.03429	2.0
61.02912	3.0
69.03434	7.6
71.62498	2.7
73.02905	3.2
79.05486	2.8
81.03422	3.5
83.04975	2.3
85.02915	20.2
89.81741	1.5
91.05485	9.2
93.07036	4.0
94.56813	1.4
95.04969	2.6
97.02885	9.8
98.97565	2.1
103.05468	4.4
105.07024	7.4
107.04966	6.9
109.02878	3.8
115.03973	2.4
119.04924	8.1
121.02889	1.7
121.06514	18.2
122.03640	2.2
127.03917	10.0
130.04152	2.0
131.04929	5.4
133.02859	11.5
133.06480	7.4
135.04399	5.2
137.05974	65.8
145.04956	2.6
145.06529	2.0
147.04387	17.1
149.05972	48.7
150.06761	7.9
151.03830	2.3
151.07564	4.9
153.05418	4.4
161.05980	100.0
162.06743	8.9
163.07550	9.4
167.07025	6.3
175.07498	11.1
177.05489	10.8
179.07021	35.6
187.07556	2.5
191.05531	1.6
191.06932	8.0
193.06544	3.2
195.06534	11.6
203.07022	72.9
207.08238	2.3
207.10121	3.1
210.06752	3.4
215.07042	3.2
221.06033	4.8
221.08064	56.2
224.08347	2.1
225.09117	5.4
229.08717	3.8
233.08063	12.5
237.02693	1.7
253.08586	10.0
257.07745	1.7
265.08536	2.4
267.10153	4.7
275.09116	4.5
282.09106	1.6
285.11194	31.1
285.14273	2.3
293.10043	3.9
297.11240	9.0
309.11078	4.3
311.11227	11.4
323.11179	3.1
325.07169	2.1
325.10739	2.4
327.12241	35.4
339.12292	5.8
345.13287	29.1
357.13379	5.6
579.17480	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01874	11.1
55.05505	12.5
57.03437	8.6
57.07064	4.5
57.24722	1.3
59.04992	3.8
61.02913	7.6
65.03946	1.5
67.05504	23.6
68.99781	4.6
69.03424	52.0
69.07064	35.8
69.28721	13.1
69.29130	4.0
71.01331	3.2
71.04995	23.3
71.08591	1.9
73.02898	5.3
79.05052	2.5
79.05489	29.5
81.02975	3.0
81.03412	42.6
81.07055	70.9
83.01331	2.0
83.04982	11.6
83.08620	9.3
85.02901	75.8
85.06525	5.4
87.00823	26.4
89.82549	1.5
91.03967	2.5
91.05477	21.1
91.06018	2.6
93.07037	68.3
93.07627	3.6
95.04976	14.5
95.08601	52.4
97.02881	30.6
97.06516	10.9
97.10159	3.7
98.20763	2.5
99.04444	22.7
99.08090	3.0
101.02367	2.4
103.05476	3.2
105.01862	22.7
105.07014	23.9
107.04949	6.7
107.07857	2.7
107.08582	46.8
109.02878	44.0
109.06503	7.3
109.10149	39.6
109.51608	1.5
111.04423	2.6
111.08083	4.2
111.11703	5.8
115.03905	2.1
117.01830	3.3
117.07009	5.0
119.04971	1.7
119.08569	23.9
121.06461	5.8
121.10136	100.0
123.04436	5.1
123.08056	5.1
123.11700	35.6
125.05977	9.1
125.13213	2.0
127.03912	67.4
129.01836	4.8
129.07005	2.4
131.04922	3.7
131.08537	8.5
133.06512	1.9
133.10129	17.8
135.08032	5.0
135.11682	42.9
137.05975	8.4
137.09610	8.7
137.13234	6.8
139.03879	3.7
139.07573	2.6
139.11156	7.9
143.08556	2.7
145.04942	18.2
145.10110	19.1
147.02864	2.9
147.11676	13.3
149.09604	5.1
149.13245	15.8
151.03902	3.0
151.07582	2.2
151.11198	7.2
153.05475	1.9
153.12729	15.5
155.08514	1.7
157.10092	5.0
159.02838	15.3
159.11703	9.2
161.06006	2.9
161.09610	2.7
161.13243	6.1
163.03918	3.1
163.11182	23.4
163.14809	5.1
165.12726	4.7
167.06996	10.2
167.10664	5.1
171.11674	2.9
173.05862	1.6
173.09630	2.6
173.13237	6.8
175.03949	1.9
175.07585	2.7
175.11230	3.8
175.14812	5.1
177.03957	1.9
177.05424	5.3
177.12776	3.7
177.16371	3.6
179.07047	2.0
181.12215	37.2
181.13840	1.8
185.13249	2.9
187.06049	2.5
187.14838	4.0
189.03952	3.5
189.12782	1.8
189.16354	3.7
189.19229	1.6
193.15845	4.5
195.13747	2.8
197.13252	2.3
199.11519	1.6
199.13283	8.0
199.14874	2.8
201.16399	3.2
203.14278	2.2
203.17932	4.9
210.69138	1.4
213.03947	7.7
213.16331	2.9
215.10609	2.0
215.17949	1.9
227.17844	2.3
231.04996	14.5
234.94716	1.8
262.06622	1.8
269.22607	9.0
275.23450	1.9
277.25226	2.5
287.23645	21.0
289.14160	2.3
293.24686	7.0
305.24713	45.9
318.43927	1.7
323.25812	42.6
347.25882	2.1
395.25891	2.1
409.09247	7.8
413.26892	4.1
431.27359	2.0
517.28052	1.6
535.29285	5.1
553.29645	4.7
571.12494	2.8
571.27936	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	571.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	1.1
55.05499	1.2
57.02192	1.0
59.50388	0.8
65.03933	1.1
65.68533	0.8
67.05503	2.0
68.63274	0.9
69.03445	2.3
69.07070	3.4
71.60993	1.5
73.02902	1.2
78.60855	0.9
79.05489	3.2
81.03419	2.8
81.07055	5.1
83.04955	1.0
85.02907	4.8
91.05481	5.5
93.07052	3.1
94.04186	3.3
95.04958	3.2
95.08604	2.5
97.02896	1.9
97.06521	1.2
99.04474	1.4
103.05455	4.4
105.07053	4.5
107.04951	3.5
107.08589	2.9
109.02894	1.7
109.10147	1.8
111.04487	1.1
115.05447	2.5
117.07037	2.2
119.04947	1.3
119.08559	2.7
121.06489	3.3
121.10187	1.6
122.03649	6.8
123.04424	3.1
123.08064	1.3
123.11710	1.2
125.05968	1.2
127.03896	2.7
129.06987	2.4
131.04913	6.5
131.08574	2.0
132.05693	1.1
133.06503	4.3
133.10109	1.5
135.04416	4.0
135.08037	2.2
135.11723	1.1
137.05969	100.0
138.06320	1.5
139.03925	1.2
143.08588	1.2
145.06503	2.4
145.10179	1.4
147.08101	1.3
147.11658	1.1
149.05992	2.7
149.13298	1.0
151.03967	2.2
151.07515	7.0
153.05466	1.5
153.43488	0.8
157.06450	0.9
158.07323	1.0
159.08101	1.9
159.11702	0.9
160.05215	2.7
160.71672	0.8
161.05968	11.3
163.03900	1.5
163.07526	10.9
165.09143	0.9
167.07039	28.6
171.08055	1.4
173.06007	1.3
173.09659	1.9
174.06880	0.9
175.07542	21.4
177.05490	1.4
177.09100	3.2
179.07079	1.5
181.04991	1.6
181.06630	0.7
181.06935	1.0
181.08597	10.9
182.05302	1.0
182.07120	1.0
183.08089	1.7
187.07520	4.7
189.09096	8.7
191.06953	1.8
193.06960	1.0
193.08643	4.0
195.08049	1.2
199.07518	1.4
201.09065	4.3
203.10692	3.1
205.98624	1.0
207.10036	1.1
210.06903	0.9
211.07487	1.1
212.08311	2.1
213.09073	4.6
215.10721	1.8
219.10109	1.3
225.09155	2.4
227.10754	3.4
231.10059	1.3
231.83109	0.9
239.10664	3.3
243.10045	1.6
251.07086	1.3
253.08627	1.7
257.11636	5.4
283.09625	1.4
285.08185	1.3
285.11261	3.5
287.23679	1.4
305.11633	1.2
305.24554	1.1
315.12326	2.9
317.14041	5.4
319.13226	1.4
321.14902	1.2
323.25784	1.6
331.13358	1.2
335.09515	1.3
337.14337	2.3
341.13986	0.9
343.15137	1.3
349.14334	3.6
350.90927	0.9
351.15906	11.9
352.16077	0.9
363.15860	6.2
369.16971	11.0
381.16971	8.5
391.11737	2.1
409.21729	1.1
462.18311	0.9
505.22305	3.8
523.23328	5.9
571.27350	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1588
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
70.54426	1.8
71.63235	3.0
73.78642	2.0
77.63867	1.9
79.05520	2.1
93.06995	3.5
95.08620	2.3
107.04965	9.8
113.94408	1.7
121.02913	2.1
123.04419	11.2
137.02322	7.3
137.05962	4.9
147.04410	2.2
153.05492	2.3
164.64537	2.2
178.93590	1.7
181.04889	9.8
181.06381	2.5
185.05945	4.1
187.93144	2.1
197.06000	3.8
211.07649	5.8
212.04678	2.5
213.05495	7.2
225.05641	3.0
242.05719	2.3
243.06537	4.0
253.05078	2.7
257.07993	4.3
269.04456	3.8
270.05228	6.9
271.05948	2.9
283.09595	2.3
285.07535	29.8
301.06943	14.7
303.06613	3.2
312.08032	2.3
326.18103	2.9
327.06488	3.1
329.08286	3.7
331.06036	3.8
343.06100	3.5
345.07513	2.6
355.06223	2.7
356.06998	4.3
357.07440	5.7
359.09415	4.1
371.05710	4.1
373.07144	4.5
374.07901	5.6
385.06882	5.5
386.08063	6.0
389.10333	5.1
391.11801	3.9
393.07455	2.6
402.07425	4.8
417.09708	19.4
418.10657	2.9
429.09973	2.7
435.86646	2.2
436.09079	2.4
447.10645	12.6
461.12119	3.7
462.13095	33.1
464.08878	2.3
465.10059	2.9
475.08206	2.4
479.11182	3.7
481.08789	2.5
492.08011	2.1
493.09296	3.8
507.10736	6.7
508.11337	8.6
509.09012	2.5
513.11047	2.7
522.12909	2.9
525.11951	3.0
539.13208	9.2
540.14404	12.7
541.11084	2.5
543.16455	18.2
556.13531	8.3
565.91595	2.9
571.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1597
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
67.05492	0.8
70.43217	0.9
70.43559	2.2
71.36301	0.6
79.05486	1.1
81.07032	1.0
83.08607	0.8
91.05479	0.8
91.06020	0.7
93.07021	0.7
95.04959	0.7
95.08601	0.9
95.98607	0.5
107.04954	7.1
117.17464	0.7
121.02832	0.8
123.04423	4.7
124.05211	0.7
126.67021	0.6
135.04424	1.1
137.02321	4.0
137.05983	1.0
138.03105	2.4
138.22760	0.6
139.03854	0.6
139.07468	0.6
139.78738	0.6
147.04420	2.4
149.02299	0.7
151.03912	0.9
153.01788	0.8
153.05444	5.3
155.57053	0.6
163.03889	1.0
165.05524	0.7
166.02618	0.9
167.03394	1.4
167.07065	2.4
169.06445	0.8
181.04935	11.5
181.06462	0.7
185.05974	1.0
185.52676	0.7
186.06662	0.8
197.05998	2.3
198.06784	1.1
213.05391	0.9
214.06241	0.9
215.10713	0.6
224.70943	0.7
225.05490	2.8
226.06236	0.7
227.03583	0.8
231.08028	0.9
237.05609	0.7
239.06914	0.9
241.05011	0.8
242.05727	1.5
257.07962	3.2
260.08423	1.4
269.08005	1.3
270.05249	1.3
271.05609	0.7
271.07639	2.1
285.07538	13.9
286.08490	2.0
287.07028	2.3
288.07751	4.2
289.08670	1.2
299.06992	1.1
300.07669	1.7
301.08597	1.3
303.10065	0.7
313.08633	1.0
315.06595	3.0
316.07242	5.0
317.08075	1.7
319.06189	1.0
327.06360	1.4
328.07422	3.1
329.08060	2.1
330.08929	1.7
331.05942	1.8
331.09720	7.7
332.06638	1.3
333.07651	1.9
341.08127	1.6
342.08838	1.2
343.05994	1.1
344.06842	5.2
345.07620	3.0
346.08469	0.7
356.07031	0.9
357.07538	1.5
358.08380	1.6
359.09097	13.0
360.05908	0.9
360.09927	1.4
361.06885	0.9
363.12326	1.0
373.06787	0.9
374.07834	1.8
375.08813	1.3
376.09366	2.5
389.10178	2.6
390.64645	1.0
391.11838	8.0
405.09900	1.2
410.07654	1.0
417.09482	2.3
419.09229	1.3
423.08704	0.9
435.08563	1.6
438.07388	0.9
453.09821	1.9
463.08084	1.2
464.08636	1.1
466.06470	1.3
481.08981	2.3
485.12372	0.7
493.08789	1.0
495.10876	1.2
496.11533	0.9
497.12549	0.8
507.10706	2.9
508.12033	1.4
509.08847	2.1
511.14020	1.8
513.11847	2.1
523.10376	1.2
524.10925	2.2
525.11066	1.5
538.12634	0.8
539.13391	3.9
540.13782	2.4
541.11414	1.3
543.16455	39.8
544.16852	1.0
553.14752	0.8
556.13544	3.5
571.15924	100.0
572.16339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13556	0.3
55.01836	1.2
60.88282	0.3
68.99755	0.9
69.03423	5.7
71.32269	0.7
97.02880	0.3
103.52393	0.4
105.03423	0.4
105.06999	1.0
115.05411	0.8
117.06989	0.4
119.04858	0.4
123.04433	0.9
125.02309	1.1
125.90089	0.3
129.06944	0.7
131.04884	0.5
131.08513	0.9
133.06454	0.8
141.06944	1.3
141.19931	0.4
143.04802	0.6
144.05672	0.4
145.06454	0.6
147.04381	1.1
152.06187	0.9
153.06911	0.7
154.29308	0.4
155.08566	1.8
155.09558	0.4
157.06500	0.5
158.07205	0.4
159.08014	0.9
160.05110	1.3
161.05994	2.5
163.03860	0.5
165.06985	1.4
167.08513	1.1
168.05699	0.4
169.06473	1.8
169.79846	0.4
171.04367	1.0
171.08022	0.7
173.05963	1.0
174.06622	0.5
175.03886	1.6
175.07458	0.4
176.04645	0.4
177.05478	0.5
183.08067	2.2
184.05130	1.5
185.06024	1.0
187.03825	1.2
187.07442	2.4
188.04668	18.8
189.05452	10.6
193.06468	0.5
195.08011	1.4
197.05983	2.3
199.03937	3.3
199.07587	0.6
200.04684	0.7
201.05406	1.6
201.09071	0.7
203.07034	0.7
211.07559	4.3
212.04724	2.5
212.08211	0.9
213.05371	1.7
213.09055	1.5
214.06232	0.6
215.03415	6.2
215.06963	5.7
216.04169	5.6
217.04962	9.2
217.08470	0.5
218.05656	1.1
221.05838	0.5
222.06590	0.5
223.07541	1.2
225.05467	1.3
227.03391	1.3
227.06956	0.6
228.03984	0.5
229.05133	2.3
229.08589	13.0
230.05713	3.4
230.09271	0.5
231.06520	0.8
232.03638	1.4
239.07010	5.4
240.07700	0.8
241.04892	0.7
241.08656	2.1
242.05777	0.7
243.02898	5.1
243.06462	3.4
244.03661	28.1
245.04439	15.2
245.08185	0.5
255.02878	1.0
256.03500	0.5
257.04318	0.8
257.08075	13.3
258.04889	0.5
258.08862	6.6
259.09656	3.9
267.06479	3.5
269.08020	2.0
272.03131	2.8
273.04022	0.5
281.08044	0.9
285.07559	100.0
286.08081	2.3
287.09131	10.8
299.09268	0.7
313.06989	2.6
512.11066	0.9
530.11926	8.6
535.13812	0.6
543.15369	0.5
553.14844	1.3
571.16010	14.1
572.16351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1594
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
55.36851	1.2
65.03933	1.2
67.05502	1.7
67.21458	1.1
70.19118	5.9
75.21753	1.1
79.05492	1.6
81.07067	2.3
93.07066	1.7
105.07053	1.2
107.04936	3.0
121.46893	1.1
123.04435	4.8
131.08563	1.5
137.02357	4.7
141.07010	1.8
151.03926	1.3
152.06189	1.3
153.05479	5.6
167.03426	2.7
168.05623	1.6
169.06531	2.9
179.03416	2.3
181.04967	7.9
181.06422	1.8
185.05974	4.3
189.14709	1.3
195.08075	1.3
195.58586	1.4
196.05264	1.3
197.06012	4.8
209.06064	4.9
212.04608	1.9
213.05521	8.1
214.06236	2.6
215.03435	1.4
221.06032	1.7
223.83632	1.1
224.04668	3.0
225.05403	5.6
226.06137	1.8
227.07072	1.8
228.04147	3.1
229.04962	2.0
237.05486	9.1
239.06998	2.8
241.04880	3.3
242.05740	5.0
243.06416	3.2
247.07654	6.2
249.05365	1.5
250.06253	1.8
251.07034	2.4
253.04988	3.7
255.06351	2.1
256.03711	1.6
257.04941	1.1
257.08084	2.8
258.24796	1.1
261.09174	1.9
263.06927	1.9
267.06555	4.9
268.07315	1.8
269.04514	2.2
270.05313	4.5
271.05844	3.2
271.07779	2.4
273.07480	1.9
274.06186	1.3
275.07126	1.8
277.08524	1.6
282.08978	1.9
283.09781	2.2
285.07495	54.1
286.08438	2.7
287.07224	5.6
288.07751	2.0
289.08643	2.2
299.06876	7.1
300.07822	5.0
301.06927	14.7
302.05673	1.4
303.06537	4.2
303.10187	2.4
311.07104	2.2
312.07813	3.9
313.08609	4.7
314.09442	3.1
315.06506	4.6
315.10019	1.5
316.07443	3.4
317.08130	3.4
326.05872	1.3
327.06598	3.4
328.07300	2.6
329.08264	4.3
330.08807	3.3
331.06046	3.5
331.09781	2.4
333.07639	2.9
341.08124	2.6
342.08850	1.9
343.06036	2.2
343.09753	1.9
344.06708	2.8
345.07480	6.2
346.08374	3.1
356.06815	2.6
357.07605	4.9
358.08279	4.2
359.05499	2.9
359.09216	7.0
360.10159	2.1
361.07065	3.0
363.08652	1.9
363.12650	1.4
371.09622	1.4
373.07022	2.7
373.10834	5.0
374.07928	4.1
375.08801	3.1
376.09436	8.0
384.06244	1.7
385.07272	2.7
389.10318	3.5
391.11859	20.4
401.06546	1.9
402.07266	10.1
403.08090	2.5
404.08905	1.9
408.76785	1.3
417.09653	44.4
419.11121	1.5
421.12836	2.1
435.08542	2.1
436.09372	1.3
447.10968	6.1
453.09723	2.3
461.12558	2.0
462.13132	6.7
464.09280	1.5
477.11975	1.3
481.09064	1.6
485.12762	1.5
495.11176	2.0
497.12534	2.0
507.10394	1.4
511.13806	3.0
517.17041	1.3
521.12720	1.4
539.13623	6.2
541.11469	1.8
543.16492	100.0
556.13690	3.0
565.90918	1.6
571.15979	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1594
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
53.01383	1.2
55.01860	1.7
63.10163	1.1
67.05482	1.5
69.03419	1.3
70.41914	2.1
70.42308	2.5
75.18581	1.1
77.36446	1.1
79.05498	1.4
79.41628	1.2
81.07072	2.1
90.50332	1.1
91.05478	2.7
95.04964	1.5
95.08598	1.3
107.04962	3.4
107.08589	1.5
111.04466	1.2
123.04419	7.0
131.04855	1.6
137.02335	2.9
137.05956	2.0
138.03113	2.6
147.04341	1.2
149.05978	1.5
151.03853	6.3
153.01691	1.3
153.05492	12.3
153.06886	2.3
155.08546	1.7
161.05974	1.6
165.06993	2.5
167.03401	1.5
167.07047	2.9
168.05788	1.5
170.62602	1.2
171.57719	1.3
175.07404	1.4
177.05504	1.6
181.04965	6.7
181.06410	2.2
183.07973	5.9
193.06471	1.5
197.06035	4.4
202.06235	1.3
209.05994	1.7
210.06705	2.9
211.07535	35.9
213.05458	2.4
214.06259	1.5
217.08640	3.4
225.05482	3.4
227.07011	2.8
228.98788	1.4
241.05016	1.8
243.06487	2.3
253.05069	1.5
255.06461	2.6
256.07352	1.4
257.08032	1.7
267.06589	3.0
269.04330	1.2
270.05093	2.7
282.05090	1.3
285.07413	13.0
286.08575	2.3
287.06808	1.8
299.09177	4.2
305.08051	1.6
312.07874	1.4
315.06326	2.5
325.08066	1.6
329.07959	1.5
330.08740	1.9
331.09674	2.7
333.07687	1.6
344.07050	2.1
345.07516	2.3
345.11301	3.0
347.09262	2.6
348.09616	1.7
357.07477	1.6
359.09225	3.8
361.07138	2.1
363.12292	14.3
374.07907	2.0
375.08768	2.4
376.09183	6.9
389.10306	2.7
391.11823	11.1
417.09482	4.9
425.10458	1.9
437.12500	6.0
447.10931	2.2
451.09900	1.5
462.12640	5.8
481.09210	1.6
495.10834	1.8
496.19089	1.7
511.13721	1.9
513.11890	4.1
528.14142	2.2
539.13190	3.4
540.14404	1.8
541.11121	1.6
543.16522	57.0
556.13794	3.9
571.15924	100.0
572.15771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1594
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
55.01879	1.0
67.05483	1.0
68.99801	2.5
69.03438	4.3
79.05485	2.1
81.07065	2.1
91.05486	2.1
95.04963	1.9
95.08634	1.2
99.33105	1.0
99.57475	1.1
105.07040	1.1
107.04980	2.8
119.05033	1.1
121.02913	4.7
123.04436	5.5
128.54092	1.0
137.02313	5.7
137.06021	1.2
138.03142	1.0
141.07019	2.3
145.10129	1.7
147.04480	1.4
153.05537	4.0
155.08675	1.5
155.10103	0.9
157.06537	1.4
160.05270	1.4
161.05991	2.0
163.03940	2.4
167.07198	1.3
167.08592	1.2
168.05724	1.9
169.06526	2.5
171.04485	2.8
179.03537	1.1
181.04999	7.5
183.08142	2.7
184.05275	2.2
185.06023	2.7
187.04033	1.5
188.04691	7.4
189.05569	4.6
195.08163	1.7
197.05968	5.4
199.03883	2.0
199.07449	1.3
200.04726	1.8
201.05544	1.6
202.06305	1.6
209.06076	3.6
211.07616	4.6
212.04778	2.6
213.05492	7.7
213.09175	1.1
214.06366	3.3
215.03468	2.5
215.07013	2.2
216.04311	2.6
217.05089	4.0
221.06003	1.8
224.04704	2.2
225.05415	5.3
226.06383	1.4
227.03477	2.6
227.07021	1.3
228.04262	1.6
229.05156	4.5
229.08519	7.3
230.05933	2.3
237.05583	3.6
238.06331	1.4
239.07060	4.9
240.07828	1.1
241.05092	3.4
241.08717	1.4
242.05632	5.7
243.02995	1.9
243.06387	6.7
244.03659	10.5
245.04364	5.6
247.07428	4.8
249.05814	1.1
251.07158	2.6
253.05115	3.3
254.05739	1.4
255.03073	4.0
255.06581	2.5
257.04504	3.2
257.08032	8.8
258.08981	2.3
259.09851	2.5
263.06604	1.1
267.06653	4.3
269.04608	3.6
269.08182	1.9
270.05182	5.2
271.06207	7.9
272.03079	2.2
273.07687	1.6
275.07364	1.8
282.05295	1.5
285.07541	100.0
286.08521	4.4
287.09479	5.2
288.07809	1.4
289.08704	1.9
290.05389	1.2
299.02008	1.4
299.06799	2.1
299.09720	2.1
300.07861	2.5
301.06827	5.4
303.06659	2.3
303.10107	1.3
312.07895	2.0
313.08472	2.2
314.09448	2.4
315.06549	2.8
316.07370	2.7
317.08182	3.4
319.06189	1.6
327.06845	2.5
328.07419	3.0
329.08179	2.9
330.08868	2.0
331.06223	2.4
331.09897	2.1
333.07828	2.2
341.08206	1.4
344.07013	2.3
345.07721	4.5
346.08267	1.2
357.07730	4.0
358.08563	2.7
359.05493	1.4
359.09384	4.4
360.09982	1.4
361.07162	1.8
363.08652	1.2
371.09564	1.2
373.07132	2.9
373.11044	4.1
374.08069	3.4
375.08929	2.4
376.09311	5.2
385.07175	1.5
389.06439	1.4
389.10666	1.7
391.11847	13.9
399.08539	1.1
401.06149	1.9
402.07312	5.8
403.07898	1.9
410.08044	1.3
416.09247	1.8
417.09753	28.6
418.10898	1.5
431.11459	8.3
437.12619	2.9
447.11057	4.4
449.12311	1.3
453.09579	2.2
461.12497	3.6
462.13318	3.8
495.11081	1.8
511.14294	2.9
513.12213	1.2
530.12274	4.2
539.13556	2.6
540.13953	2.1
541.12183	1.2
543.16479	62.3
556.13965	3.5
571.16132	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
57.07081	5.5
58.06590	1.6
62.84860	0.5
67.57066	0.6
70.06592	17.0
70.77154	2.2
71.08621	2.7
88.07626	20.7
99.57116	0.6
102.09178	14.0
105.03388	13.4
123.42837	0.6
131.04947	0.7
135.07986	0.6
138.22552	0.6
142.72322	0.5
144.32098	0.6
149.02338	8.9
149.05978	59.2
181.06503	2.0
193.04955	9.6
212.23721	0.8
219.06526	0.7
256.10434	0.6
256.26337	46.3
297.07599	11.6
297.10855	0.8
341.10190	52.9
446.71286	0.7
467.60989	0.7
552.33820	0.9
570.34216	100.0
571.34406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42104	0.4
69.03429	0.4
69.07047	0.3
69.50513	2.3
71.04955	0.3
77.96476	0.3
85.02893	1.7
89.25719	0.3
91.05460	1.0
91.61912	0.3
96.90730	0.3
98.21471	0.7
115.05488	0.5
119.04916	0.6
128.06221	0.6
129.06993	3.6
131.08556	4.1
137.05971	1.4
141.06978	2.3
143.08591	0.3
144.05653	0.5
145.06474	0.6
146.07254	0.3
147.04399	0.6
157.06474	3.6
158.07257	1.3
159.08049	5.4
160.05220	0.7
161.05919	0.4
161.09726	0.4
167.06993	0.3
169.06477	2.6
170.07216	0.4
171.08054	0.4
174.06741	8.7
175.07544	2.7
177.05429	0.6
186.06772	2.6
187.07527	0.6
188.08289	0.6
189.09091	18.4
191.10701	1.9
201.09090	7.0
207.10065	0.5
219.10143	100.0
220.10495	1.0
225.22513	0.3
234.57704	0.4
237.11200	2.5
253.38251	0.3
364.50397	0.4
570.21478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
60.80961	0.7
61.02914	1.8
68.90077	0.6
69.03416	2.0
70.57191	0.8
70.57523	1.6
79.05479	2.2
81.03415	1.2
84.44204	0.8
85.02901	5.4
91.05465	5.5
93.07036	3.9
95.04987	1.3
97.02873	1.7
103.05441	3.6
103.51632	0.6
105.07011	2.9
107.04945	7.1
109.02835	0.7
111.73943	0.8
115.05455	1.8
117.07030	1.3
119.04907	1.2
120.05735	0.7
121.06496	5.4
121.61124	0.7
123.04444	2.3
124.05161	1.1
127.03905	1.2
128.06255	2.2
129.06995	11.0
131.04959	2.2
131.08563	7.7
133.06514	1.0
135.08060	2.1
136.54472	0.8
137.05965	6.1
141.07013	3.4
144.35194	0.7
145.05019	0.7
145.06491	2.4
148.05188	1.2
149.06017	2.2
150.03656	0.9
151.03877	0.7
151.07562	7.6
152.04631	1.2
153.05441	3.1
157.06459	9.6
158.07234	2.1
159.08011	4.8
160.05116	1.2
161.05974	10.2
161.09613	3.3
163.07542	5.5
165.06998	1.4
165.09195	2.0
166.06258	2.4
167.05614	1.4
167.07039	28.3
169.06531	3.7
173.06015	1.7
174.06749	10.8
175.07565	6.0
177.09047	3.5
179.07063	1.4
179.08492	1.7
180.08626	2.6
181.08588	26.1
181.10207	1.4
181.86522	0.7
182.07198	1.0
186.06732	2.2
187.07457	1.4
188.08269	1.1
189.09096	38.5
191.06970	1.3
191.08606	1.3
191.10641	1.7
193.06583	1.0
194.07298	1.3
195.08087	1.9
197.09616	2.0
201.09079	7.7
207.08417	1.1
207.10168	4.1
219.10153	73.4
220.10477	1.5
221.05989	1.2
223.07552	1.7
225.09059	3.4
227.07072	1.7
229.12231	0.9
236.08170	0.8
239.07166	1.1
240.07899	0.9
242.09396	1.1
251.07083	0.9
251.10678	1.7
253.08589	3.1
254.09319	1.0
255.10178	0.9
257.11703	5.1
270.08862	1.5
271.13510	1.1
279.10007	1.5
283.09634	3.7
283.13275	2.9
285.11176	8.1
296.10593	0.9
297.11200	0.9
299.09335	1.1
299.12753	1.2
302.11386	1.1
305.13730	1.2
311.12741	2.7
315.12219	4.8
315.15494	0.9
317.13824	9.6
327.12286	1.1
329.13895	1.4
331.15317	1.8
343.15402	16.1
343.19528	0.9
361.16418	100.0
362.16931	3.3
373.16034	1.2
430.10779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91130	0.6
65.03922	0.7
69.03415	1.8
71.63293	0.9
79.05470	0.9
81.07059	1.7
85.02885	1.2
85.87260	0.6
86.61769	0.6
89.82533	0.5
90.87518	0.7
91.05424	1.0
93.07021	0.8
95.04971	1.0
95.08583	0.7
97.02881	0.9
105.07024	1.1
107.04948	1.7
107.08607	1.0
108.07281	0.6
109.02863	1.2
109.06399	0.6
109.10156	0.7
111.08099	0.7
119.08601	0.8
121.02830	0.7
123.04413	2.0
135.11644	0.8
137.02278	0.7
137.05971	2.6
147.04399	2.7
151.03926	1.3
153.05434	1.9
165.06877	0.7
167.07037	2.0
177.05421	1.1
178.08650	0.8
181.04964	0.9
181.06505	0.8
183.08058	0.9
185.05984	0.7
187.03882	0.7
201.05379	0.7
203.05318	1.1
205.06396	0.7
211.07579	0.9
213.05484	1.0
227.03412	0.8
227.06976	1.1
229.08597	0.8
237.05522	0.9
239.07185	0.7
241.04996	1.3
242.05933	0.8
244.03683	1.2
249.05603	0.6
253.04967	1.0
255.06555	2.6
257.04822	0.6
257.07816	0.7
259.07892	1.3
267.06519	1.0
269.04572	1.4
269.08035	2.5
283.05984	3.5
285.07529	6.6
299.09122	4.6
303.23114	0.7
304.42380	0.7
327.09122	0.7
331.06125	0.7
372.06311	0.9
385.07126	0.8
407.11032	0.8
407.24246	1.2
415.08112	2.5
430.06918	1.4
435.10617	2.5
445.08865	4.0
449.12155	0.8
457.20413	3.0
463.14142	0.8
471.22009	3.9
487.21521	1.1
541.14874	0.6
551.13416	4.6
569.16028	8.6
569.29266	100.0
570.15100	1.7
570.30121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18341	0.4
67.05486	0.9
68.53011	0.4
69.03431	0.6
69.07053	0.5
69.62722	0.4
70.06421	1.8
70.06849	0.7
73.67938	0.4
79.05486	1.1
81.03410	0.7
81.07040	0.8
85.02885	1.2
89.79049	0.4
91.05477	1.1
93.07030	0.7
95.04977	0.6
95.08582	1.1
97.02839	0.5
105.07038	1.0
107.04956	0.6
107.08595	0.5
109.02868	0.6
109.10166	0.5
119.08617	0.6
121.10187	0.9
123.04449	1.3
127.03931	0.6
137.02367	0.6
137.06010	0.9
147.04355	0.4
161.05836	0.6
167.07037	1.2
175.03934	0.6
177.05392	0.5
203.05168	0.5
213.05508	0.5
215.06979	0.6
249.05688	0.4
259.07901	1.6
267.06393	0.7
268.07047	0.5
271.06058	1.1
283.06082	0.5
299.08902	0.8
305.04364	0.5
321.16806	1.4
333.20432	1.0
407.23837	2.0
415.08157	1.6
417.09552	0.4
427.08188	1.8
445.08859	0.5
459.10559	4.6
481.23880	1.1
483.22040	11.5
569.16779	6.1
569.29285	100.0
570.15961	0.9
570.29797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39128	0.5
52.01106	0.5
52.66353	0.4
63.66594	0.5
69.03419	0.7
71.61134	0.9
71.61494	0.6
81.07054	1.5
83.04964	0.5
83.64623	0.5
85.02889	0.9
87.00803	0.5
93.07034	1.1
95.05011	0.7
95.08546	0.6
96.69366	0.5
97.02879	0.6
97.64191	0.5
105.07003	1.0
107.04963	0.9
107.08605	1.0
109.02866	0.7
109.10050	0.5
119.08600	0.8
123.04383	1.1
133.10080	0.5
137.05948	1.2
147.04390	1.3
151.03871	1.1
159.11794	0.7
167.07100	0.7
178.08586	0.5
179.07236	0.5
187.07532	0.6
195.42709	0.5
221.06042	0.6
237.05566	0.6
251.06831	0.7
253.05008	0.6
255.06538	0.8
266.05743	1.0
267.06570	0.5
269.08194	0.9
283.06061	2.2
284.06818	1.4
285.07693	1.2
299.09113	6.7
303.19614	0.7
321.16629	0.9
321.20532	0.6
397.06659	0.5
402.10861	0.6
407.23877	1.7
415.08087	0.8
459.10818	1.1
481.23840	1.2
483.21927	9.5
551.13354	2.5
569.16608	8.2
569.29272	100.0
570.15417	1.0
570.29498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51952	1.5
53.46249	1.6
59.56454	1.5
67.05479	4.0
68.99776	2.7
70.97082	4.0
78.24352	1.5
79.05467	2.4
81.07026	4.3
85.02899	2.3
91.05453	3.1
92.44855	1.4
95.04936	5.0
95.08582	2.0
107.04951	10.1
116.60798	1.7
119.08529	2.0
121.02830	2.7
123.04421	34.5
124.05146	2.5
137.02316	3.8
137.05946	6.7
139.07449	2.5
147.04420	12.8
151.03859	5.0
153.05415	5.8
153.06755	1.9
161.06020	2.7
163.18484	1.5
165.06952	2.7
167.06947	7.3
167.08336	2.5
169.06471	1.9
173.05972	1.9
175.03943	2.1
181.04880	3.5
197.05945	4.3
199.07419	2.6
210.06761	2.4
211.07523	3.4
213.05411	4.1
221.05907	4.5
223.07449	2.1
225.05493	2.0
227.06842	4.0
237.05322	3.7
238.06291	3.3
239.06917	5.5
240.24663	1.7
241.04842	4.9
242.05539	2.1
249.05273	1.9
251.06856	4.8
252.04085	2.9
253.04823	5.9
255.06364	5.3
256.07248	3.3
257.07758	2.2
265.04895	2.8
265.08478	2.6
266.05640	2.5
267.06506	13.2
269.04962	2.1
269.08078	18.4
270.05109	1.9
275.06665	2.8
277.08475	2.6
279.06345	3.0
280.07031	3.4
281.04697	1.9
281.07925	7.0
283.05862	3.8
283.09357	2.2
285.07446	6.2
290.05600	3.0
293.08014	4.7
299.09137	19.9
303.06296	3.8
305.07941	5.1
329.08011	3.7
339.12314	3.0
343.09674	2.1
359.08960	2.0
361.10788	2.4
373.06683	2.9
373.10962	2.1
384.05597	1.9
385.06873	2.0
387.08560	2.0
389.09778	2.8
399.08374	3.5
400.08984	3.1
401.10306	4.0
402.07431	2.1
411.08102	1.9
412.09113	2.4
413.10284	3.7
415.12085	15.8
417.09427	4.0
426.10397	2.9
429.09515	9.7
431.10889	2.9
432.11688	2.4
433.12756	2.5
435.14139	3.4
443.11313	3.4
444.11786	2.6
445.13058	3.5
446.12961	3.0
447.14432	4.0
449.10138	2.1
459.14487	66.2
466.10272	3.0
509.12311	8.4
526.11462	2.3
551.13007	3.9
554.11658	7.1
569.14209	100.0
569.28381	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	569.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03034	0.9
50.64804	0.9
53.54309	1.1
54.95109	0.9
65.03902	0.9
68.99794	2.6
71.63510	1.4
74.74581	0.9
79.05468	1.7
90.06094	1.1
91.05429	2.3
95.04943	1.5
100.62434	1.0
105.03409	1.1
105.07030	1.7
107.04931	4.6
109.11283	0.9
115.05466	1.4
123.04420	7.5
131.04965	1.2
134.03601	1.0
137.05957	5.7
139.07506	1.4
141.06996	4.6
145.02849	1.4
145.06540	1.0
147.04402	14.4
149.02359	2.1
151.03877	1.9
153.05453	1.3
157.06491	4.5
159.07996	1.3
160.05194	1.9
161.02309	3.6
163.03934	2.7
164.04494	1.2
165.06979	1.3
167.07027	3.1
168.05656	1.2
169.06442	5.4
171.08203	1.3
174.03232	1.3
177.05539	1.1
178.08679	1.2
181.06528	1.5
182.07254	1.0
183.07996	1.3
185.05959	3.3
191.03346	1.2
193.06450	1.3
197.05954	21.2
199.07547	1.1
201.05402	2.5
209.05878	1.6
210.06688	3.4
211.07532	1.8
213.05455	22.1
215.07016	25.8
225.05434	6.5
226.06062	1.1
227.06953	3.2
228.07683	1.5
237.05434	3.1
238.06267	3.8
239.07051	3.9
241.04964	22.7
243.06522	22.2
253.05022	2.2
255.06549	2.9
256.07297	1.8
260.27405	1.1
265.04935	1.4
265.30020	1.1
266.05679	2.5
267.06464	4.2
268.07175	1.3
269.04416	53.8
269.07990	13.0
271.05920	1.5
281.04526	2.1
281.07913	2.2
283.06042	3.7
284.06787	6.2
294.05054	1.5
297.03864	2.1
298.08334	2.9
299.05527	25.9
299.08981	5.0
312.06253	4.9
313.10690	5.3
327.08606	100.0
328.08929	1.6
389.10083	1.4
435.08618	1.5
435.14432	29.5
445.12936	2.3
459.55429	1.2
466.49063	1.1
503.42856	1.3
537.01318	1.3
538.12421	1.4
551.13470	2.1
569.14404	22.9
569.26343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05504	10.8
57.07069	6.4
57.07310	1.0
57.34954	1.2
57.57714	1.1
58.06571	1.2
59.04989	2.3
65.03933	2.1
67.05499	16.8
69.03416	2.4
69.07074	13.3
71.04983	1.3
71.08638	1.8
71.15440	1.1
71.57013	2.2
75.10119	1.2
77.03930	2.7
79.05485	22.8
80.06261	2.5
81.07056	34.1
83.04964	3.9
83.08615	5.7
85.06548	4.6
91.05471	42.9
92.06277	2.5
92.98614	1.1
93.07036	50.1
94.07847	2.0
95.04964	43.4
95.08598	26.6
97.06528	3.3
101.85042	1.2
102.09200	1.7
103.05446	3.4
105.07020	85.8
105.70167	1.1
106.07806	4.0
107.08586	47.6
108.09377	3.5
109.06517	5.3
109.10151	19.7
111.08067	1.3
115.05470	4.8
116.06261	2.1
117.07017	29.2
118.07820	3.0
119.08575	100.0
120.09418	9.2
121.06509	2.6
121.10138	32.3
122.07382	1.4
123.08060	18.2
123.11663	6.5
125.09603	3.0
128.06213	9.9
129.06996	19.3
130.07782	9.1
131.08560	54.4
132.09360	12.4
133.06535	1.5
133.10120	58.4
134.10915	8.4
135.08043	7.7
135.11682	17.9
137.09627	6.4
138.10381	10.0
141.06987	7.7
142.07776	19.9
143.08546	43.2
144.09352	14.3
145.10110	88.4
146.10887	5.5
147.08044	2.3
147.11676	27.6
149.09605	5.4
149.13271	3.4
151.11203	2.4
153.07051	2.0
154.07767	2.8
155.08533	13.6
156.09346	17.3
156.21860	1.2
157.10121	49.8
158.10902	11.0
159.08005	2.1
159.11687	40.6
160.12408	2.2
161.09650	5.6
161.13251	8.2
162.13902	1.4
163.11186	1.9
163.14841	1.6
165.07034	4.3
166.07741	1.4
167.08539	10.4
168.09406	4.7
169.10115	28.6
170.10944	8.6
171.11678	34.7
172.12476	7.4
173.09657	2.5
173.13252	26.9
174.10245	1.4
174.14047	2.7
175.11192	2.0
175.14821	27.3
175.16255	2.1
177.12758	5.3
178.07835	1.4
179.08553	9.2
180.09378	4.5
181.10118	14.9
182.10944	7.8
183.11665	26.0
183.13153	1.8
184.12477	5.6
185.09676	1.5
185.13240	26.4
186.14037	8.5
187.11110	1.4
187.14818	15.7
189.12758	4.3
191.14316	9.6
192.09380	2.9
192.15071	3.5
193.10086	8.3
194.10875	9.0
195.11705	19.5
196.12498	8.7
197.13255	29.5
198.14027	5.3
199.14806	15.6
200.15495	2.7
201.12708	3.6
201.16379	8.5
203.14355	2.8
205.10201	1.7
206.10983	3.7
207.11613	10.2
208.12506	5.0
209.13240	23.7
210.13969	2.5
211.14807	21.2
212.15607	1.9
213.16408	6.9
215.14400	2.4
217.15781	6.5
218.10844	1.6
219.11710	2.0
219.17511	2.2
220.12439	3.2
221.13226	7.4
222.14015	3.7
223.14777	11.6
224.15657	4.1
225.16466	7.5
225.64468	1.3
226.17168	3.8
227.14349	2.2
227.17929	2.5
231.17464	3.4
233.13260	4.1
234.13974	2.0
235.14824	9.2
236.15530	2.1
237.16368	9.1
238.17110	2.1
239.17999	4.9
241.15695	1.4
241.19565	4.0
243.17531	1.6
244.12480	1.6
245.13408	1.5
246.13959	2.0
247.14935	3.7
249.16425	7.4
251.18007	4.5
253.19615	3.2
255.17493	2.6
257.19077	3.0
259.14703	1.8
261.16370	3.1
263.18042	4.0
265.19608	5.6
267.17987	1.3
267.21078	3.3
267.23914	1.5
270.19818	2.1
272.21326	2.1
275.17929	4.5
276.18878	1.5
277.19553	5.5
279.21164	2.3
281.18982	1.9
283.20602	4.5
284.29510	3.1
285.22229	3.6
289.19452	1.7
291.21091	3.0
295.20660	2.4
296.21295	2.0
297.22232	3.7
303.21005	1.6
305.22522	2.5
309.21982	2.9
311.29535	3.2
320.25110	1.7
323.23676	5.5
324.24503	1.4
337.25244	3.2
338.26007	61.4
349.25272	4.1
351.26666	2.8
362.26144	2.6
362.30759	1.2
375.26935	2.0
415.29855	2.5
420.30298	3.2
430.32288	21.9
458.35455	3.0
476.36481	29.0
489.37003	1.6
535.39319	1.5
550.41595	3.3
568.42780	52.1
568.56305	16.1
569.42450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31036	0.6
53.03926	0.9
55.01855	1.5
55.05482	0.6
56.34259	0.7
57.03193	0.6
57.03432	9.5
59.56704	0.6
61.02909	2.7
64.93311	0.6
67.05489	1.0
69.03426	10.6
69.07074	1.0
69.09328	0.6
70.06570	0.6
71.01332	1.5
71.59740	0.8
71.60153	0.8
73.02909	19.6
79.05479	1.9
81.03403	1.9
81.07039	1.9
85.02897	15.4
87.04475	1.0
91.05463	5.9
93.07035	1.0
95.04967	0.9
95.08589	1.4
97.02890	12.6
99.04469	0.8
103.05443	1.9
104.77779	0.8
105.07026	8.2
107.04941	5.5
107.08567	1.3
109.02854	1.6
111.04442	4.5
115.03915	7.7
119.04935	5.3
119.08576	1.0
121.02850	1.2
121.06509	4.6
123.04411	1.4
125.05943	0.6
127.03895	4.7
129.90549	0.7
131.04878	1.1
133.04932	1.7
133.06491	15.1
135.04381	1.2
135.08051	3.6
137.02318	3.5
137.05972	6.7
138.06595	0.7
139.07521	0.7
145.04918	3.3
145.06477	2.7
148.05202	1.1
149.05948	3.3
151.07486	2.4
159.08046	1.2
161.06020	1.3
163.07521	2.0
164.08282	1.0
165.07004	1.7
167.07019	1.9
167.08524	0.8
181.06538	1.1
182.07277	1.0
183.08046	1.3
193.06427	1.0
194.07289	1.0
197.09575	2.2
199.07510	0.8
210.06729	2.3
211.07553	2.2
224.08347	0.9
225.09064	3.4
226.09839	2.4
227.06889	2.3
237.05455	0.8
239.07082	0.8
242.09364	5.6
244.03642	1.7
245.04387	1.5
253.04900	0.9
257.11700	100.0
258.12131	1.4
269.08096	1.0
269.11713	4.0
281.11646	1.3
285.07529	3.3
299.12723	3.0
323.12772	1.7
353.13736	1.8
365.14127	1.0
383.14755	1.2
434.76355	0.8
528.10284	0.9
569.14465	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05490	2.2
57.03437	2.9
62.85909	1.1
67.05500	2.2
69.03440	3.1
69.07049	2.0
69.10067	1.4
70.06582	2.1
70.37014	5.0
71.04990	2.7
71.34375	1.3
78.04719	1.4
79.05485	7.7
81.03411	26.5
81.07051	5.4
83.04977	2.1
83.67360	1.5
84.61297	1.2
85.02891	4.1
85.06584	1.6
89.70342	1.2
91.05452	7.5
93.07012	2.4
95.04966	7.3
95.08576	2.5
97.02908	1.3
100.11224	1.9
103.05431	3.6
104.88586	1.2
105.07025	6.0
106.88323	1.2
107.04944	16.0
107.08576	4.0
109.06560	1.8
109.10195	1.2
111.04469	1.4
114.66257	1.1
115.05438	8.4
117.07014	12.7
117.82681	1.1
119.04889	2.2
119.08589	2.4
120.10866	1.3
121.06522	4.4
121.10158	2.1
122.03613	2.5
123.04398	7.7
124.05216	3.1
125.05965	2.7
128.06224	3.0
129.06990	5.5
131.04903	4.3
131.08568	6.0
133.02861	1.9
133.06471	4.0
133.10133	4.5
137.05992	10.0
141.06998	2.9
143.04974	1.7
143.10716	4.3
144.05684	5.1
145.06480	27.7
147.04419	2.2
147.07973	1.7
149.05983	3.8
149.09428	1.7
151.03922	2.2
151.07524	3.1
152.04684	1.9
153.05473	4.5
155.05956	2.3
155.07111	2.2
156.05687	9.2
157.06529	3.6
159.04349	1.8
159.08044	9.7
159.70886	1.2
160.05197	2.3
161.05988	9.8
163.03935	1.9
163.07504	2.0
167.07034	100.0
167.14308	4.8
168.14673	2.1
169.07843	1.3
173.05975	30.2
174.06686	1.6
175.03903	1.4
175.07521	5.1
177.05446	4.0
177.09161	2.0
179.07030	3.9
181.04982	4.3
181.08588	2.8
183.06651	3.0
184.05118	2.0
187.07518	14.1
189.05479	2.1
190.06223	18.9
190.07764	1.8
191.07066	8.6
191.08493	1.8
193.08627	5.0
195.06505	3.3
199.07481	1.4
201.09093	1.8
202.06221	5.2
203.07034	5.0
204.07832	2.2
205.08580	35.7
207.06496	4.3
207.10091	2.8
208.05176	2.5
209.08034	6.4
210.06844	1.7
215.07175	1.8
217.08566	23.3
217.10597	1.5
218.09195	2.0
219.10123	9.6
219.17461	2.0
220.07248	11.6
220.17609	3.0
231.08124	3.0
231.10248	2.3
233.09801	1.3
235.07491	3.1
235.09573	14.2
239.06926	1.4
241.08545	2.7
241.10719	8.6
246.39078	1.3
247.07454	2.0
247.09648	31.6
248.08173	3.6
253.70021	1.3
263.06973	1.5
263.10596	1.8
264.07617	1.8
265.08322	1.5
265.10760	3.4
269.08142	5.5
271.09680	3.3
276.07794	2.8
277.08670	1.9
279.09625	2.5
279.12512	12.6
282.08859	2.2
285.07599	2.5
286.08362	2.0
289.08279	1.4
290.09348	2.3
291.06873	1.2
291.09531	2.1
291.12711	9.0
292.07175	1.7
293.08063	1.9
299.09009	1.5
301.10657	1.7
307.09607	4.1
308.10590	1.8
310.08490	2.2
311.12546	1.4
315.08618	19.5
319.09787	3.1
321.13489	3.0
323.09348	1.6
323.12842	5.3
325.10614	1.4
329.10284	7.8
330.10931	11.9
331.11795	2.9
334.20624	1.5
336.10229	1.8
337.10672	3.9
339.11612	1.7
339.14755	2.3
341.10190	1.8
343.11826	6.4
351.12207	10.2
352.22168	1.6
353.10071	2.1
356.12543	2.6
368.12311	2.9
369.13376	3.5
371.14825	8.4
373.12537	2.3
382.14151	3.1
383.14920	11.9
393.13544	1.6
401.15833	6.9
404.14682	20.9
405.14935	2.0
413.15829	2.9
417.15494	2.5
425.15878	4.0
443.17145	1.7
445.18616	4.4
457.18445	13.2
475.19638	19.3
478.18243	18.7
517.20209	1.9
531.21948	6.6
549.23273	15.8
567.20142	1.7
567.43170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
56.96554	0.4
58.71821	0.3
63.15393	0.3
63.71582	0.3
67.05515	0.8
69.07066	0.5
69.34713	3.3
72.57881	0.3
73.04250	0.3
78.70235	0.3
79.05481	0.4
81.07063	1.1
85.02895	0.7
93.07014	0.5
95.04972	0.8
95.08595	0.7
97.02878	0.5
100.00311	0.3
105.07046	0.5
107.04959	2.6
107.08582	0.6
109.10150	0.4
119.04950	0.4
119.08551	0.4
121.06522	0.4
121.10174	0.3
123.04410	3.5
133.02838	0.6
133.10197	0.4
133.17360	0.3
135.04407	1.1
137.02330	0.6
137.05968	1.0
145.06416	0.3
147.04398	3.1
147.08083	0.3
151.03880	0.8
151.07631	0.3
153.05501	1.0
160.05231	0.3
163.07603	0.3
165.07086	0.3
167.07036	1.1
173.06079	0.6
181.06444	0.4
185.05997	0.5
191.07050	0.4
197.06000	0.8
204.68381	0.3
211.07652	0.5
213.05432	0.7
215.07019	0.5
221.06009	0.4
223.07710	0.4
225.05504	2.7
237.05518	0.8
238.06300	0.9
239.07074	1.4
241.04970	0.6
242.05772	0.3
243.06482	0.5
250.06168	0.5
251.07080	0.7
253.05013	1.7
254.05595	0.6
255.06516	0.5
261.05688	0.4
263.07056	0.6
265.05066	0.6
266.05841	0.9
267.06503	5.7
268.07434	0.8
269.04602	1.5
269.07822	1.8
271.06110	0.9
277.04968	0.3
279.06494	1.5
280.07294	1.0
281.04846	0.6
281.08170	2.0
282.08780	0.6
283.05920	1.4
283.12729	0.4
286.08344	0.7
291.06549	1.3
293.04688	0.5
293.08096	1.3
294.08429	0.4
295.06293	0.6
295.09665	1.8
301.05322	0.3
301.08496	0.4
303.06628	0.5
305.08084	0.3
313.08774	0.5
315.06720	0.4
317.07971	0.3
325.08627	0.4
327.06744	0.4
328.07153	0.4
329.08243	1.3
330.08871	0.5
339.14471	0.5
341.08060	0.6
342.08914	0.5
344.06689	0.7
347.52536	0.4
353.08105	0.8
356.06750	0.7
357.07471	1.5
359.09036	0.5
368.06705	0.4
369.07495	1.5
370.08218	0.7
371.09329	1.3
373.06931	0.7
381.07465	0.4
382.08417	0.6
383.09418	0.8
385.06976	3.5
386.07822	2.0
387.08429	1.5
397.06836	2.7
398.07889	1.2
399.08591	1.9
400.09506	1.0
401.05951	0.7
401.10593	3.8
411.08743	1.0
412.09387	1.1
413.05600	1.8
413.11105	0.7
414.06879	0.4
414.11499	0.5
415.07907	2.7
416.09116	0.6
421.10849	0.6
427.02936	0.3
427.08130	1.3
427.12857	0.5
428.08926	0.6
429.09613	2.5
430.10486	1.3
437.10202	0.4
443.11267	2.2
445.12177	0.5
449.10175	0.8
457.12018	0.4
465.09531	0.7
477.09787	1.2
481.12943	0.7
489.22375	0.3
491.11392	0.6
493.09409	1.4
503.11554	0.5
505.08762	1.5
509.12518	1.8
519.10815	1.1
520.11414	0.6
521.09473	1.3
522.09277	1.6
523.14166	0.5
533.13049	0.4
535.14154	2.1
537.11798	11.2
549.12634	0.4
551.13397	1.4
552.13910	1.9
567.16492	100.0
568.16913	4.0
578.95068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
53.90686	1.1
54.03462	1.3
55.01852	2.8
55.05258	2.0
55.05508	30.7
56.05017	1.2
56.19408	1.1
57.03426	4.8
57.07066	2.6
59.16280	1.1
61.02920	3.0
65.03927	1.6
67.05489	9.0
68.05023	23.5
69.03427	18.3
69.07065	7.6
70.06584	2.6
70.43338	2.7
70.43727	3.8
70.56282	1.2
71.04994	3.0
79.05493	6.9
81.03419	6.6
81.07047	13.0
82.06572	100.0
83.04987	6.1
83.08594	2.7
84.08111	1.2
85.02896	38.7
85.06550	1.9
86.06058	1.9
89.04875	1.4
91.05464	5.5
93.07048	5.9
94.06535	2.5
95.04974	2.8
95.08591	10.6
96.04493	6.4
96.08114	4.2
97.02864	13.9
97.10162	2.5
98.06065	1.5
99.04469	2.5
100.07608	4.4
105.07018	10.3
106.06521	2.6
107.04927	1.8
107.08584	20.2
108.08112	3.8
109.02859	6.1
109.06509	93.5
109.10140	7.9
110.06066	3.0
110.06774	1.3
110.09682	1.8
112.07618	2.4
114.05540	3.8
117.07013	1.3
119.08570	8.8
120.08078	2.2
121.10159	9.0
122.09631	5.9
123.08045	6.1
123.11713	2.4
124.07594	4.4
124.11199	4.7
125.09615	1.4
126.09168	2.0
127.03888	7.7
128.07074	4.1
131.08574	1.9
132.08086	3.4
133.10107	5.0
134.09654	4.5
135.08011	1.4
135.11688	5.9
136.07558	1.5
136.11220	4.3
137.06004	1.9
137.09621	2.0
138.05475	1.4
142.08643	5.9
145.04984	6.4
146.09628	4.1
147.11667	10.7
148.11194	10.2
149.12074	2.2
149.13197	2.7
150.09129	33.5
152.10732	5.7
158.09679	2.2
159.10457	2.2
160.11249	2.2
161.05952	1.3
161.13249	5.4
162.12825	4.9
164.10750	2.6
164.14320	8.8
165.12741	16.8
166.12306	3.4
168.10175	2.6
171.11740	1.4
172.11189	1.4
173.11987	3.7
173.13268	1.6
174.12776	2.5
176.14357	1.6
177.12737	2.3
178.15894	3.0
182.15306	2.6
188.14322	18.8
188.47961	1.3
190.15962	2.5
191.14182	1.7
195.13713	2.8
206.15387	92.5
207.06508	1.7
222.14967	3.2
224.16440	90.1
236.17178	1.2
242.17462	7.7
265.10730	1.5
272.09161	3.2
368.20572	12.8
372.20038	1.7
386.21692	23.0
404.22769	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	566.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.03442	1.0
54.05492	0.8
55.01866	1.7
55.05503	20.2
56.05021	1.4
57.03423	3.8
57.07080	1.9
58.06605	1.4
61.02914	2.4
62.12015	1.0
67.05515	6.6
68.05030	12.1
69.03421	12.5
69.07053	4.7
69.60079	7.8
70.06588	2.4
70.25772	0.9
71.04977	4.2
73.02908	2.5
79.05491	8.8
80.05008	5.1
81.03413	4.7
81.07056	12.0
82.06572	64.0
83.04967	3.6
83.08633	2.6
85.02415	1.7
85.02898	22.0
85.06513	1.5
86.06042	1.6
87.04443	1.0
91.05477	7.9
93.07020	7.9
94.06536	3.8
95.04942	2.7
95.08589	17.5
96.04467	3.2
96.08110	4.6
97.02882	8.7
97.10156	1.7
99.04414	1.2
100.03970	2.7
100.07593	2.8
105.07018	10.6
106.06528	1.5
107.07405	1.8
107.08583	24.7
108.08095	3.9
109.02868	3.4
109.06506	51.3
109.10154	6.9
110.09671	1.3
111.08053	1.6
112.07592	1.9
114.05539	1.9
119.04955	1.2
119.08569	12.6
120.08081	2.6
121.06470	1.0
121.08842	1.8
121.10154	6.2
122.09649	4.9
123.08070	3.3
123.10450	1.2
123.11668	1.5
124.07589	4.3
124.11235	1.5
125.09611	1.9
126.09147	1.7
127.03936	7.0
128.07117	2.2
129.07034	1.3
131.08504	2.1
132.08113	3.6
133.10069	5.0
134.09622	3.8
135.08055	1.4
135.11702	5.6
136.11221	12.1
137.05946	1.6
137.09599	2.5
138.09105	4.8
138.34477	1.0
140.10803	1.5
142.08609	3.1
143.08548	1.8
145.04951	4.3
146.09625	2.8
147.11690	6.8
148.11194	8.2
149.13252	2.3
150.09125	15.6
152.10675	3.6
154.12210	1.4
156.10202	3.2
158.09604	1.4
159.10486	1.3
159.11688	1.4
161.13257	3.4
162.12766	2.6
163.14742	1.0
164.10721	3.2
164.14328	6.9
165.12724	9.7
166.12250	3.4
167.07047	1.0
169.11012	2.0
170.11800	1.2
171.11650	2.0
173.11946	3.0
173.13297	1.7
174.12738	2.3
175.03874	1.5
176.14337	2.4
177.12698	2.2
178.12314	1.2
178.15865	1.5
182.15343	2.5
188.14319	17.5
195.13802	1.7
201.86438	1.0
206.15384	80.4
207.06497	2.1
207.15804	1.7
210.91808	1.2
224.16434	100.0
225.07559	2.1
225.16743	2.5
242.13866	2.0
242.17532	5.0
272.09271	1.2
293.08954	1.4
309.68091	1.1
322.07611	1.1
368.20670	18.5
386.21722	27.6
404.22995	2.5
461.27811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
54.03466	1.2
55.01874	1.5
55.05507	24.6
56.05006	1.6
57.03422	3.2
57.07064	3.0
58.06593	1.1
59.04976	1.1
60.04516	0.9
60.88545	0.7
61.02903	2.1
65.03934	1.3
67.05512	4.9
68.05016	13.4
69.03422	13.6
69.07059	6.0
70.06582	1.8
71.04996	1.5
71.59358	1.4
73.02908	1.8
74.68038	0.8
79.05476	5.9
80.05014	1.0
81.03414	5.3
81.07053	8.5
82.06573	82.4
83.04957	4.3
83.08607	2.2
84.08119	1.3
85.02897	28.8
85.06538	1.1
86.06014	1.4
91.05461	3.9
93.07029	4.7
94.06550	2.3
95.04960	2.6
95.08610	6.5
96.04468	3.5
96.08102	2.3
97.02888	10.5
97.06511	0.8
97.10130	2.1
98.06043	1.9
99.04436	2.0
100.07596	3.1
103.03927	1.0
105.07030	9.6
106.72140	0.9
107.07413	0.8
107.08589	21.1
108.08096	4.0
109.02867	4.3
109.06506	69.0
109.10154	5.3
110.06046	1.2
110.09652	1.6
111.08073	1.0
112.07587	1.7
114.05524	3.1
116.98576	1.0
117.07010	1.3
119.08569	7.2
120.08070	1.6
121.08886	0.8
121.10120	7.7
122.09655	4.1
122.10377	0.7
123.08048	3.6
123.09128	0.9
123.11707	1.9
124.07572	4.4
124.11222	2.3
125.09599	2.2
127.03905	6.1
128.07068	4.3
131.08563	2.0
132.08073	3.0
133.09129	0.9
133.10072	5.4
134.09630	2.8
135.08006	1.5
135.10625	0.9
135.11697	4.3
135.70969	0.8
136.11206	2.5
137.05984	1.0
137.09567	1.0
138.09103	1.5
138.12737	0.8
140.10635	0.9
142.08633	2.7
143.08569	0.9
145.04941	4.9
145.10086	1.6
146.09612	5.1
147.04410	1.3
147.11664	9.6
148.11189	11.1
148.12309	1.4
149.09497	0.9
149.12096	1.1
149.13246	2.0
150.09129	19.3
152.10680	3.3
154.12204	0.8
154.55840	0.8
156.09325	1.2
157.08641	0.9
158.09573	1.4
159.10381	1.8
159.11630	1.2
160.11218	1.7
161.13211	4.2
162.12761	4.3
163.13589	1.0
164.10728	2.5
164.14337	7.7
165.12749	12.3
166.12279	1.6
167.06992	1.8
168.10150	1.8
170.11745	1.1
171.11650	3.2
172.11203	0.8
173.11967	2.5
173.13252	2.1
174.12720	1.2
176.14386	1.3
177.05315	1.1
177.12744	1.8
178.15916	2.6
180.90755	1.0
182.15373	2.6
188.14322	22.7
189.12744	1.5
190.15865	1.3
191.14282	1.5
195.13782	2.0
206.15388	100.0
224.16437	60.9
242.13828	1.2
242.17569	4.7
249.07561	2.3
271.10568	1.0
291.08527	1.3
341.27728	0.9
368.20651	19.5
369.11755	1.1
372.20172	1.4
386.16901	1.5
386.21674	15.9
404.22665	2.1
446.62872	1.0
566.20129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
54.03452	1.1
54.51139	0.8
55.01868	2.2
55.05506	26.0
56.96555	1.1
57.03430	5.3
57.07053	3.3
57.44280	0.9
58.06584	1.1
60.04527	1.1
61.02910	3.3
65.03920	1.6
67.05499	9.4
68.05024	25.7
69.03427	17.0
69.07064	9.0
69.68184	7.2
70.00387	1.0
70.06570	1.4
71.04979	1.9
73.02917	2.0
79.05489	5.7
79.90784	0.9
81.03409	8.3
81.07050	10.6
82.06573	83.8
83.04961	4.0
83.08595	3.1
84.08151	1.7
85.02901	37.4
85.06524	2.3
86.06039	1.8
91.05450	4.9
93.07030	6.2
94.06550	3.3
95.04967	1.6
95.08601	12.1
96.04492	5.1
96.08113	3.8
97.02888	11.7
97.10155	3.7
98.06036	2.1
98.97618	1.0
99.04430	3.0
100.07595	2.3
105.07027	7.7
106.06511	1.1
107.04956	1.5
107.07375	1.6
107.08582	15.7
108.08085	3.5
109.02872	6.0
109.06510	100.0
109.10146	8.0
110.06059	1.1
110.09679	1.7
111.08018	1.7
112.07587	2.2
114.05512	3.8
115.03955	1.5
116.98631	1.3
117.07040	1.1
119.08566	6.3
120.08086	2.5
121.08884	1.3
121.10117	6.9
122.09682	4.8
123.08066	3.0
123.10364	1.1
123.11718	2.3
124.07576	2.8
124.11208	2.6
125.09623	2.8
126.09093	1.2
127.03917	11.1
128.07076	4.5
131.04878	1.2
131.08559	2.1
132.08073	2.2
133.10114	4.1
134.09631	3.9
135.08046	1.7
135.10620	1.2
135.11650	5.3
136.04811	1.0
136.07497	1.3
136.11201	4.1
137.09608	1.8
142.08615	3.5
145.04919	5.6
145.10175	1.0
146.09648	3.1
147.04285	1.1
147.11678	9.9
148.11182	11.9
149.12152	1.1
149.13246	3.5
150.09131	37.3
151.11151	4.2
152.10695	4.7
154.08612	1.3
157.08687	1.3
158.09647	2.9
159.10379	1.6
159.11705	1.1
160.11206	1.1
161.13211	5.3
162.12756	5.6
164.10677	2.7
164.14352	9.7
165.12750	16.9
166.12292	2.0
168.10178	2.3
171.11697	2.6
172.11127	1.2
173.11957	2.3
173.13313	1.7
174.12794	1.4
177.12706	1.7
178.15871	2.9
182.15347	1.7
188.14314	19.1
188.15906	1.7
189.12770	1.4
191.14255	2.0
195.13789	3.8
206.15384	90.2
207.06487	1.8
224.16441	96.4
237.02820	1.5
242.17494	15.5
291.13614	1.1
303.13269	1.2
308.06415	1.5
354.35675	1.1
360.09595	1.3
368.20703	13.6
372.20068	1.7
373.71909	1.0
386.21719	20.5
404.22791	5.3
404.69086	1.2
428.10214	1.4
447.30386	0.9
534.60754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59383	2.6
53.03936	5.6
55.00794	2.2
55.05514	29.6
57.03431	9.9
57.07071	12.1
62.91813	2.3
67.05167	3.5
67.05501	46.8
69.03439	3.8
69.07063	37.0
69.62901	7.2
69.63314	13.9
69.90054	2.8
71.08646	3.0
79.05497	20.3
81.07053	100.0
83.04985	8.2
83.08616	28.6
85.06549	7.2
85.10215	3.0
87.60943	2.7
91.05470	30.6
92.05500	2.7
93.07044	33.9
95.04956	6.1
95.08603	51.2
97.06522	8.2
97.10165	15.9
98.21394	3.9
104.21619	2.4
105.07020	47.5
107.04942	3.3
107.08595	25.3
109.06503	6.0
109.10149	20.1
111.11731	4.8
117.06982	5.0
119.08574	43.9
121.10139	33.7
123.04412	6.2
123.08035	4.7
123.11699	22.1
128.06190	2.9
129.07039	6.0
131.08575	6.2
133.10124	21.8
135.11682	8.1
137.13220	3.0
142.07701	3.1
143.08525	12.9
145.10109	19.6
147.08061	2.8
147.11682	49.2
149.09634	3.5
149.13222	3.4
155.08627	3.0
155.44601	2.6
157.10107	18.4
159.11691	7.8
161.13254	5.5
163.14856	3.4
165.06993	3.1
165.12744	21.4
167.10651	6.8
169.10095	10.6
171.11687	11.5
172.45779	2.5
173.13275	7.7
175.14827	7.4
181.10101	6.1
183.11768	5.2
185.13332	4.1
187.14896	5.2
193.10234	2.9
195.11702	6.3
197.13365	4.5
199.14870	5.9
207.11720	3.2
209.13145	6.4
219.11702	4.3
220.12692	3.1
221.15407	7.1
223.14761	5.8
229.14360	12.2
235.13135	3.6
245.13260	3.0
245.22667	8.9
249.04803	2.7
263.18042	3.6
263.23706	9.6
265.19388	4.8
267.15915	61.5
271.06000	6.1
285.16937	45.5
313.27441	7.2
313.40430	3.2
337.27313	38.7
547.39850	51.7
565.40485	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59383	2.6
53.03936	5.6
55.00794	2.2
55.05514	29.6
57.03431	9.9
57.07071	12.1
62.91813	2.3
67.05167	3.5
67.05501	46.8
69.03439	3.8
69.07063	37.0
69.62901	7.2
69.63314	13.9
69.90054	2.8
71.08646	3.0
79.05497	20.3
81.07053	100.0
83.04985	8.2
83.08616	28.6
85.06549	7.2
85.10215	3.0
87.60943	2.7
91.05470	30.6
92.05500	2.7
93.07044	33.9
95.04956	6.1
95.08603	51.2
97.06522	8.2
97.10165	15.9
98.21394	3.9
104.21619	2.4
105.07020	47.5
107.04942	3.3
107.08595	25.3
109.06503	6.0
109.10149	20.1
111.11731	4.8
117.06982	5.0
119.08574	43.9
121.10139	33.7
123.04412	6.2
123.08035	4.7
123.11699	22.1
128.06190	2.9
129.07039	6.0
131.08575	6.2
133.10124	21.8
135.11682	8.1
137.13220	3.0
142.07701	3.1
143.08525	12.9
145.10109	19.6
147.08061	2.8
147.11682	49.2
149.09634	3.5
149.13222	3.4
155.08627	3.0
155.44601	2.6
157.10107	18.4
159.11691	7.8
161.13254	5.5
163.14856	3.4
165.06993	3.1
165.12744	21.4
167.10651	6.8
169.10095	10.6
171.11687	11.5
172.45779	2.5
173.13275	7.7
175.14827	7.4
181.10101	6.1
183.11768	5.2
185.13332	4.1
187.14896	5.2
193.10234	2.9
195.11702	6.3
197.13365	4.5
199.14870	5.9
207.11720	3.2
209.13145	6.4
219.11702	4.3
220.12692	3.1
221.15407	7.1
223.14761	5.8
229.14360	12.2
235.13135	3.6
245.13260	3.0
245.22667	8.9
249.04803	2.7
263.18042	3.6
263.23706	9.6
265.19388	4.8
267.15915	61.5
271.06000	6.1
285.16937	45.5
313.27441	7.2
313.40430	3.2
337.27313	38.7
547.39850	51.7
565.40485	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66446	0.8
57.07071	0.8
66.83490	0.6
69.03429	1.5
70.10619	3.3
78.19550	0.6
79.05489	1.2
81.03429	0.9
81.07034	1.3
83.04988	0.8
84.08107	0.6
85.02895	1.0
85.06536	1.5
91.05485	1.7
92.97406	0.7
93.07047	1.5
95.08605	1.3
105.07008	1.1
107.04931	0.7
107.08588	1.1
108.60325	0.7
109.10149	1.2
117.07005	0.6
119.08582	1.1
121.10145	1.1
127.03851	0.7
131.01825	0.6
131.08577	0.7
133.10120	1.5
135.11623	0.6
137.05954	1.2
145.10065	0.8
147.11700	0.9
149.02322	4.3
167.07068	1.2
173.06038	0.6
181.04933	0.7
199.07312	1.2
207.06444	0.6
213.01256	0.7
222.19032	0.6
245.07922	2.4
261.07376	2.6
271.06100	3.6
275.11072	2.4
295.06097	0.9
299.12521	7.1
317.13708	13.3
321.07617	1.1
325.07074	1.4
337.07037	0.9
349.07062	1.4
363.08755	0.7
385.48566	0.6
391.07947	0.8
409.09195	1.2
427.10254	2.5
436.17105	0.6
479.18921	12.7
521.19934	33.3
529.32037	1.0
565.18909	100.0
566.19116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1546
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
54.42616	1.0
55.01861	2.5
57.03426	8.4
61.02913	2.7
64.14015	1.0
68.37186	0.9
68.55940	1.1
69.03414	2.2
70.73516	2.4
70.73866	2.0
70.99670	1.2
71.66999	0.9
73.02908	14.6
81.00468	1.2
81.03426	1.9
85.02901	3.4
97.02887	2.3
104.12214	1.1
109.02879	1.2
115.03933	1.0
119.04951	3.3
121.02864	14.1
145.02824	3.7
149.02345	1.3
163.03893	3.0
165.01825	7.1
167.03394	4.5
177.01869	1.5
179.03355	1.0
181.04936	1.3
183.02901	4.4
187.03970	2.1
191.03436	1.9
195.02876	4.5
203.03380	2.9
205.04915	1.3
207.02885	1.4
215.03432	1.6
219.02995	1.2
221.04504	1.8
223.00842	1.1
228.42368	1.1
229.04968	2.8
233.04356	1.6
239.06989	2.2
243.03056	1.4
267.06451	9.8
270.05194	4.3
271.06033	9.6
279.06549	1.5
281.08081	10.9
283.05994	100.0
284.06729	13.0
293.08029	1.8
294.05176	2.9
294.08258	1.1
295.06027	22.5
295.09421	2.7
297.04056	1.3
297.07635	3.5
299.05771	1.4
305.08057	2.8
307.05881	7.2
308.06696	4.1
309.04123	1.2
309.07559	26.6
313.07031	92.8
314.07538	1.7
321.07486	9.4
323.05545	2.5
323.09134	16.1
325.06998	8.6
333.07590	7.2
335.09042	3.3
337.07025	46.8
339.08548	1.7
345.07678	2.2
349.07025	16.5
351.08694	6.2
355.08365	1.3
361.07068	13.9
363.08710	3.9
365.06470	1.4
367.08096	33.2
373.06894	1.9
379.08151	21.8
385.09399	1.6
391.08133	7.4
397.09116	18.2
403.10004	1.2
409.09125	12.8
415.10229	43.7
427.10251	15.6
433.11298	57.2
445.10153	1.3
457.09717	1.7
475.11279	1.6
481.11325	5.4
493.11496	2.1
499.12347	1.5
511.12427	10.6
529.13049	4.4
547.14172	2.6
565.15417	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	565.1546
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01867	2.8
61.02921	1.9
69.64147	1.1
70.06026	5.7
81.03392	1.3
85.02888	2.8
103.03893	1.7
109.98583	1.3
119.04922	5.4
121.01994	1.5
121.02855	24.3
135.04330	1.4
145.02824	3.3
146.37611	1.2
159.04390	1.5
161.02342	1.7
177.01894	2.8
187.03993	1.5
189.01814	4.6
191.03375	2.6
195.02852	3.2
199.03986	1.5
203.03419	7.8
205.05106	1.8
207.02853	5.5
215.03307	3.1
217.04961	3.9
219.02907	2.4
221.04391	2.6
231.02933	1.2
233.04437	4.3
245.04469	1.6
255.02844	1.7
268.07083	2.9
273.03802	1.5
279.06363	2.7
280.07187	1.7
281.08087	1.4
283.06036	4.2
288.53015	1.2
292.07266	2.2
293.08032	2.3
294.05209	9.3
294.08453	1.7
295.05978	55.1
296.06570	3.3
297.07483	2.6
300.12561	1.4
306.08862	2.9
307.02557	2.5
307.05984	35.6
307.09543	2.6
308.06784	9.4
309.07568	12.8
313.07047	4.7
317.07898	2.1
319.05914	3.6
320.06744	5.9
321.07523	26.9
322.08313	5.7
323.05444	2.2
323.09003	5.1
325.07047	50.0
329.07919	3.8
333.07553	16.4
333.45752	1.4
334.08350	2.7
335.09064	21.0
336.06299	2.1
337.07007	41.1
338.07736	1.4
339.08582	4.4
345.07669	10.3
347.08978	5.3
348.06088	1.4
349.07050	41.1
349.11298	2.3
351.08640	18.6
355.08081	8.9
359.08905	2.4
361.07004	21.9
361.11154	2.3
362.07471	2.5
363.08533	24.5
367.08057	6.7
373.06998	12.8
373.11084	1.9
375.08682	8.2
379.08096	51.1
387.08527	5.8
389.10403	2.8
391.08109	54.4
392.08786	1.6
393.09958	1.7
397.09036	2.3
399.08466	1.9
401.10022	2.8
403.08072	9.4
405.09641	3.1
408.28207	1.5
409.09158	64.8
410.09274	2.7
415.08212	7.4
417.09537	2.9
421.09027	4.9
427.10229	100.0
428.10370	2.9
429.09805	2.7
433.09186	6.7
439.10037	2.1
445.09521	7.4
451.10291	1.7
457.11115	8.8
463.10184	7.0
469.10971	1.4
475.11676	6.9
481.11310	29.4
493.11230	10.3
499.05884	2.1
499.12357	25.7
511.12366	60.7
512.12714	2.0
529.13446	32.8
547.14471	16.2
565.15668	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	565.1547
Annotation	Apiin
Peak:m/z	Relative Intensity
52.79467	0.1
56.27951	0.1
60.94981	0.1
62.72460	0.1
67.01848	0.4
68.99786	0.1
69.03408	0.3
70.15870	0.6
71.87927	0.1
73.02895	0.3
85.02877	0.2
91.05458	0.1
93.14698	0.1
111.41812	0.1
119.04919	1.4
121.02865	0.4
129.01701	0.2
145.02821	0.4
153.00569	0.1
153.01807	2.9
160.60284	0.1
163.03879	0.3
171.02859	0.6
225.05388	0.2
243.06543	0.2
249.84671	0.1
271.05981	100.0
272.03540	0.2
272.06323	2.5
417.70746	0.1
433.11295	0.5
467.21649	0.1
565.15295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.9
57.03423	1.5
61.02911	1.4
69.45472	4.8
69.45889	6.9
71.57970	1.1
71.76848	1.2
73.02910	1.7
85.02899	3.7
103.03934	2.1
106.14658	1.4
110.64826	1.3
119.04910	5.4
121.02855	27.9
135.04506	1.4
138.31931	1.2
145.02821	3.6
159.95615	1.2
179.03294	2.2
189.01778	3.6
191.03362	2.6
195.02922	3.5
201.05362	1.4
203.03380	6.0
207.02878	5.3
215.03358	3.6
217.04959	3.8
219.02876	3.5
221.04379	3.5
229.05038	1.5
233.04407	3.2
243.02972	1.7
245.04416	2.7
255.03171	1.3
261.03601	1.4
267.06598	2.0
268.07309	3.0
279.06390	3.0
280.07153	1.3
281.08090	2.9
283.05908	4.3
292.07159	2.0
293.04910	1.4
293.08093	4.3
294.05167	10.2
295.06015	46.0
295.09332	3.3
296.06653	4.8
297.07581	5.0
305.08087	2.4
306.09460	1.4
307.06024	26.3
307.09500	2.5
308.06793	10.4
309.07632	13.3
313.07047	3.3
317.08023	2.2
319.06079	5.0
320.06766	5.8
321.07504	20.1
322.08316	4.7
323.05469	1.9
323.08942	2.9
325.03430	2.9
325.07062	40.3
329.07932	1.8
333.07520	15.3
334.08206	5.7
335.09128	13.3
336.06021	3.0
337.03098	2.9
337.07016	35.4
337.11096	2.0
339.08707	3.9
345.07523	10.6
347.09280	2.6
349.07016	26.2
351.08640	14.9
355.08066	6.3
359.09048	1.9
361.07004	18.5
361.11053	2.0
363.08621	17.2
367.07990	3.5
373.06998	7.9
375.08472	4.3
379.08099	41.0
387.08594	6.2
391.08090	39.2
399.08350	1.6
401.10095	2.0
403.07901	4.4
405.09924	1.7
409.09122	78.7
415.08154	4.6
417.09552	2.4
421.08942	3.8
427.10239	100.0
428.10617	4.0
429.09482	1.6
433.09265	7.6
439.10373	3.6
445.10089	5.8
457.11349	8.5
463.10187	4.9
475.11905	9.9
481.11221	23.5
493.11267	11.9
499.12518	16.2
502.65958	1.4
511.12350	77.0
512.12439	3.4
529.13409	37.3
547.14478	16.7
565.15479	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	565.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86475	0.1
57.03420	0.1
59.19481	0.1
62.14689	0.1
67.01841	0.4
68.99795	0.3
69.03405	0.2
70.72325	0.2
70.72672	0.3
73.02902	0.1
77.03376	0.1
82.83692	0.1
85.02905	0.3
91.05453	0.2
97.02869	0.2
115.03896	0.2
119.04928	1.5
121.02865	0.5
133.04959	0.2
140.35001	0.1
145.02827	0.5
153.01811	3.2
163.03922	0.4
171.02846	0.4
225.05402	0.3
243.06490	0.2
271.05978	100.0
272.06305	1.6
283.05893	0.2
313.06967	0.2
367.08020	0.3
433.11182	0.8
532.75897	0.1
565.15363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	6-C-Xylosylluteolin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.45083	0.6
52.61509	0.6
54.34594	0.6
55.01857	2.8
57.03435	4.9
61.02900	0.6
65.03928	0.7
68.99779	0.8
69.03418	1.5
69.35825	6.0
69.36243	1.1
71.04587	1.2
71.04987	24.7
73.02909	1.1
75.04472	1.3
79.05470	1.1
81.03400	0.9
83.04974	1.0
84.08174	0.6
85.02898	28.1
87.04459	1.5
91.05453	0.7
93.07017	0.7
96.67818	0.5
97.02873	0.8
105.07053	0.7
107.04939	1.1
109.02863	1.2
111.04414	1.1
119.04934	2.4
121.02852	6.8
129.05476	5.0
135.04419	2.3
137.02341	7.5
137.05930	1.2
139.04073	0.7
141.01823	1.1
145.02858	1.1
147.04369	0.7
151.03897	0.7
159.04440	0.8
161.02344	2.4
163.03908	2.3
165.01805	4.2
167.03352	1.7
167.07022	1.0
175.03879	1.0
177.01924	1.1
179.03416	2.7
181.04852	0.9
183.02838	3.8
187.03891	1.3
187.07373	0.8
189.01859	1.2
189.05418	0.8
191.03375	1.8
195.02861	3.3
201.05544	0.6
203.03377	4.9
205.04784	0.7
207.02875	2.3
215.03384	2.2
217.04878	0.8
221.04434	3.5
229.05042	1.5
231.02904	1.3
233.04471	1.0
243.06450	0.7
243.08794	2.0
244.09616	2.6
245.04469	1.5
249.03902	1.5
267.06479	0.9
271.05997	13.4
271.21585	0.7
271.50470	0.7
272.06491	0.7
279.06482	1.3
281.08240	1.0
283.06009	6.0
286.04831	1.9
287.05371	4.9
289.03458	1.0
291.06619	0.8
294.05185	1.8
295.05978	23.1
296.06430	0.8
297.07574	9.1
299.05475	54.8
300.06229	4.9
307.06033	8.9
307.09421	1.4
308.06796	1.5
309.04083	1.1
309.07510	7.4
311.05502	8.9
313.03506	0.9
313.06964	12.0
317.08359	0.8
319.06036	0.7
320.06729	1.3
321.07553	9.6
322.08215	1.4
323.05435	3.7
323.09061	1.5
325.03751	1.1
325.07040	32.8
327.08664	2.2
329.06522	38.9
333.07559	6.3
334.08133	0.8
335.09183	2.7
337.07025	35.3
339.08591	0.9
341.06537	6.6
345.07620	2.0
347.09009	1.5
349.07043	8.9
351.08649	3.0
353.06537	46.8
354.06656	0.9
355.08112	4.3
361.06998	9.0
361.10928	0.7
363.08618	3.5
365.06540	26.0
367.08038	2.0
373.07056	2.1
375.08530	1.5
379.08142	10.9
383.07571	59.8
387.08505	1.2
391.08099	7.6
397.09116	2.0
401.08621	25.2
403.08185	2.2
406.03262	0.7
409.09161	6.7
415.09326	1.2
417.09915	0.9
419.09695	100.0
420.10239	1.5
421.09296	1.8
427.10220	12.0
429.09537	1.4
433.10077	2.7
439.10089	0.9
445.09644	1.4
457.10611	3.0
463.10260	2.7
475.10767	2.7
481.11273	12.8
493.11423	3.5
499.12469	4.9
505.19101	0.9
511.12338	22.8
529.13464	10.0
547.14142	4.8
565.14752	3.5
565.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1183
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.92471	0.3
53.03947	1.9
55.01858	1.4
57.03421	1.2
61.02918	1.4
68.99780	1.0
69.03424	5.8
71.04985	0.7
71.33992	0.6
73.02904	1.7
81.03413	6.6
85.02899	11.6
87.00819	4.9
91.03947	0.4
92.02590	0.6
93.03394	0.7
95.08608	0.4
97.02884	4.0
97.06530	0.3
99.04449	2.9
105.01871	3.2
109.02869	6.7
109.20709	0.3
115.03931	0.4
117.01838	1.0
121.02859	0.7
121.10190	0.3
125.43516	0.3
127.03907	10.3
128.04286	0.3
129.01814	0.7
135.04401	0.3
137.05986	0.6
139.03877	0.9
145.04932	3.2
147.02879	0.5
151.03946	0.5
151.94914	0.3
153.01813	6.2
159.01660	0.5
159.02892	5.1
159.04118	0.6
163.03905	0.4
165.01866	0.7
167.07030	0.3
175.07474	0.3
177.04015	0.3
177.05455	0.5
201.05440	0.5
210.14922	0.3
213.03915	0.4
217.04965	0.7
218.05710	0.6
228.04155	1.4
229.04866	2.1
231.04932	1.4
245.04404	0.7
246.05211	1.2
248.11610	0.3
257.04413	2.0
271.05994	5.2
273.03961	1.5
274.04697	3.5
277.45068	0.3
284.03293	0.5
285.03906	2.7
287.02158	0.7
287.05478	14.0
302.00751	0.5
302.04181	9.8
317.06534	100.0
318.06949	1.7
325.06912	0.5
359.07520	0.5
366.34396	0.3
411.31168	0.3
427.10159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01861	0.4
55.69123	0.2
57.03416	0.7
58.06577	0.2
61.02936	0.8
65.03918	0.3
67.05508	0.2
68.99780	0.5
69.03425	6.4
70.57047	0.7
71.04974	0.5
73.02927	1.2
81.03412	4.1
83.04979	0.2
85.02416	0.3
85.02901	4.8
87.00824	4.5
91.03941	0.6
91.05477	0.2
92.02608	0.7
93.03404	0.9
93.03904	0.2
95.08559	0.2
97.02890	2.9
99.00818	0.2
99.04469	1.1
105.01871	2.0
109.02869	2.1
117.01854	1.2
119.04947	0.4
121.02831	1.1
126.03143	0.2
127.03911	4.2
131.04836	0.2
135.04341	0.2
136.73653	0.2
137.05977	0.6
137.08157	0.2
139.03859	0.9
141.01834	0.2
143.52332	0.2
145.04950	1.5
147.04398	0.3
149.08057	0.2
151.03909	0.8
153.01819	6.2
159.02896	4.3
159.04173	0.2
163.03960	0.3
165.01833	0.6
167.07021	0.6
170.94124	0.2
171.02985	0.2
173.06012	0.4
177.04070	0.3
177.05493	0.4
181.04930	0.2
193.01413	0.2
201.05498	0.4
203.03362	0.5
207.06537	0.3
213.03879	0.3
217.04919	0.7
218.05788	0.6
219.03006	0.3
228.04268	1.0
229.04973	2.7
229.15509	0.2
231.02834	0.4
231.04958	2.7
245.04498	0.9
246.05225	1.5
257.04437	2.2
260.03122	0.4
261.07477	0.3
271.05994	8.0
273.03922	1.5
274.04694	3.6
274.07437	0.2
284.03140	0.4
284.06235	0.3
285.03931	3.9
287.01941	0.2
299.05374	0.4
302.04211	10.1
303.04779	0.3
309.07434	0.2
317.06540	100.0
318.06989	0.9
321.07635	0.4
322.07800	0.2
325.06766	0.2
347.09290	0.2
349.06885	0.4
379.08124	0.4
391.07935	0.3
401.08844	0.2
409.08948	0.3
419.09674	0.4
427.10129	0.7
433.11185	0.3
475.12201	0.2
511.12323	0.4
547.16907	0.3
565.17114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.3
55.01861	6.6
55.05489	18.9
56.94577	5.1
56.96540	7.9
57.03438	24.0
57.51306	5.1
61.02906	7.5
67.05498	40.4
69.03401	14.5
69.07047	15.7
69.64925	22.9
69.65361	18.1
71.04974	6.8
71.85078	4.5
73.02888	6.0
74.89819	4.9
79.05489	39.5
81.03389	10.2
81.07058	54.9
83.08584	7.8
85.02888	23.4
85.06557	4.8
91.03955	5.9
91.05476	56.8
93.07040	47.7
95.04993	8.2
95.08594	40.1
97.02880	16.5
97.06512	14.1
99.08068	8.9
105.07019	56.5
107.04869	7.2
107.08585	34.5
109.06503	12.2
109.10116	14.3
111.08056	7.7
115.03961	6.1
115.05452	7.1
117.06992	35.9
119.08572	67.9
121.10110	21.5
125.09499	8.1
127.03906	7.1
129.06985	21.9
131.08542	43.5
133.10114	35.7
135.08060	6.7
135.11687	12.5
137.05891	6.1
137.09546	4.8
138.48666	4.7
143.08539	22.1
144.24901	5.1
145.10107	49.9
147.11713	27.9
149.09579	17.2
149.13251	8.8
155.08542	10.5
157.10115	21.6
158.53787	5.1
159.11656	50.1
161.13220	12.7
163.11154	6.8
169.10110	16.8
171.11725	10.2
173.13199	26.7
175.11095	6.7
175.14819	6.0
183.11713	12.9
185.13229	35.3
187.14774	7.3
197.13202	6.4
203.14305	19.8
217.15781	8.6
217.17641	5.4
219.17383	13.8
221.13213	7.3
239.17891	23.0
255.15869	5.9
257.18912	43.1
269.17374	11.0
271.06049	11.2
275.20016	60.3
309.20517	8.4
331.22772	5.4
349.23666	100.0
367.24738	9.5
419.24243	9.2
528.81274	5.7
565.19067	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.9
56.96565	3.5
57.03434	12.8
61.02920	6.7
67.05502	19.0
69.03415	6.6
69.07071	13.0
70.06792	12.5
71.05000	6.3
79.05489	26.2
81.03417	5.7
81.07057	31.6
83.04967	5.3
83.08629	7.6
85.02904	15.7
85.06541	4.6
91.05470	41.1
93.07047	32.7
94.00199	2.7
95.04977	7.4
95.08599	25.0
97.02908	5.1
97.06517	6.6
97.10157	3.9
104.30076	3.5
105.07027	38.1
107.08614	20.3
109.06513	4.3
109.10159	11.3
111.08076	4.8
113.66676	3.0
117.07008	18.2
119.08575	35.0
121.06503	4.4
121.10139	15.5
123.08091	4.9
123.11703	3.2
127.03873	6.5
129.07008	10.2
131.08537	24.1
133.06512	5.3
133.10164	19.9
135.11707	10.2
137.05907	3.9
137.09604	4.0
143.08553	11.1
145.10101	26.4
147.11690	16.9
149.09702	7.3
157.10078	17.6
159.11674	31.0
161.13287	5.7
163.11220	8.7
169.10118	5.1
171.11761	4.7
173.13229	15.9
181.04785	3.8
182.52556	2.9
185.13295	20.4
197.13290	7.2
203.14363	7.4
207.06725	3.1
211.14702	3.3
229.19290	4.1
239.17960	14.8
245.22633	4.1
257.19000	29.6
271.06033	8.6
275.20065	30.7
281.24707	4.5
295.05899	4.4
316.19699	5.8
331.22760	3.9
338.14185	3.0
349.23685	100.0
367.24609	3.8
453.35760	3.4
500.31839	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.5
57.03427	22.0
65.03925	5.9
67.05497	49.1
67.65212	5.3
69.03066	6.8
69.03424	12.1
69.07050	18.6
70.34956	12.2
73.02919	5.4
75.86179	4.4
79.05489	37.4
81.03398	13.6
81.07053	58.4
83.04969	10.9
83.08634	7.7
85.02907	20.8
91.05461	34.8
93.07031	55.7
95.08620	30.4
97.02880	9.1
97.06537	11.9
99.08075	10.2
103.05461	5.5
103.51830	5.1
105.07021	24.1
107.04926	6.5
107.08572	33.2
109.06503	8.8
109.10133	15.1
117.07039	12.8
119.08582	24.1
121.10126	24.8
127.03878	6.7
129.06958	6.4
131.08524	17.2
133.10143	26.3
135.11664	24.2
137.05937	7.2
137.83200	5.9
145.10115	14.6
147.11632	12.1
149.09653	8.9
149.13257	20.5
157.10170	6.5
159.11700	21.1
161.13312	6.7
163.11179	8.6
177.12691	28.0
188.24461	5.3
255.15952	36.8
269.17450	100.0
271.05978	13.9
275.20117	24.9
309.20819	7.1
349.23727	48.9
367.24713	21.4
403.15466	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	564.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
60.04524	8.4
67.05492	5.2
69.03413	6.1
70.06581	4.5
70.53214	3.1
70.53596	6.0
73.02954	1.4
74.42337	1.5
76.03996	5.5
76.07619	5.2
79.05489	6.5
81.03417	3.8
81.07063	2.7
81.99559	1.7
82.99166	1.5
83.04969	2.3
84.04472	3.0
85.02907	16.3
86.90291	1.6
91.05482	9.7
93.07026	9.7
95.04972	4.0
95.08613	3.8
97.02872	5.1
100.03999	2.6
103.05431	2.1
105.07034	29.4
107.04953	4.3
107.08582	6.2
108.08100	1.9
109.10166	1.6
109.29151	1.7
112.07577	2.6
115.05459	6.0
116.98643	2.0
117.07030	12.8
119.08592	13.4
121.10130	10.3
123.04488	2.0
123.07297	1.7
123.08070	11.4
124.07570	3.4
127.03919	3.2
128.06223	5.2
129.06993	8.0
130.07780	21.0
131.07278	3.0
131.08549	4.9
133.06473	2.2
135.11702	3.3
137.05992	2.2
137.09602	5.4
139.11098	1.9
143.08553	4.1
144.08101	3.1
145.04962	2.2
145.09068	2.1
145.10120	57.6
145.11278	3.2
146.09589	3.5
147.11687	5.1
148.07555	8.1
149.09633	2.6
156.09344	3.5
157.10075	2.7
158.09683	1.7
159.10498	2.3
162.09148	3.4
162.12691	3.9
163.11168	3.0
166.08650	4.5
171.10435	6.4
171.11717	5.3
172.11211	42.4
172.12570	2.2
175.07487	2.3
177.05444	2.1
186.12787	45.3
187.13519	15.0
190.12279	2.7
203.07008	2.3
204.13838	100.0
219.01863	2.0
222.14903	55.6
224.16393	1.9
226.35622	1.6
232.15520	1.7
237.02827	3.1
240.15935	20.8
249.07487	3.3
271.10800	3.3
273.07330	1.7
297.07483	2.3
299.64081	1.7
358.48462	1.7
366.19135	10.7
367.10104	3.5
384.20193	9.3
402.21274	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01868	1.8
55.05503	15.3
57.03433	7.7
57.07067	2.2
65.03939	2.5
67.05498	57.1
69.03413	0.9
69.07063	16.5
70.19077	2.2
71.04983	3.5
73.06547	0.7
79.05486	33.1
81.03435	0.7
81.07050	100.0
83.04980	4.9
83.08607	10.7
85.06525	5.1
85.42512	0.8
91.04893	0.6
91.05475	29.2
93.07035	33.3
95.04964	4.2
95.08598	44.5
97.06539	5.6
97.10162	2.9
99.08073	3.3
101.05991	1.5
103.05473	0.7
105.07021	34.8
107.08587	24.9
108.69815	0.6
109.06526	4.5
109.10146	17.6
111.08073	1.9
111.11668	0.5
113.06017	1.2
115.05478	0.5
117.07002	5.4
118.08685	0.6
119.08570	26.9
121.06506	0.6
121.10136	28.6
123.08040	4.5
123.11696	29.4
125.09637	1.2
127.07568	2.2
128.06204	0.7
129.06992	1.4
131.08546	9.9
133.10114	8.7
135.08022	0.7
135.11694	9.5
137.09618	1.7
137.13243	3.8
141.09128	0.9
142.07799	1.1
143.08563	1.1
145.10114	8.5
147.11674	48.7
149.09575	0.9
149.13243	6.0
151.11209	1.3
151.14764	1.0
157.10136	2.2
159.11647	4.9
161.13243	4.0
163.14803	4.5
165.12738	22.6
165.16432	0.7
171.11678	1.0
173.13242	5.4
175.11180	2.0
175.14774	1.4
177.16310	1.4
179.14311	0.6
183.12302	0.5
183.13795	3.1
185.13148	0.6
187.14827	2.1
193.12263	1.0
197.13237	0.6
201.16359	1.6
211.13419	0.9
229.14317	6.8
233.22632	1.3
243.21078	8.3
261.22122	28.9
267.15887	39.0
279.23151	6.2
285.16937	44.4
286.17474	0.8
291.23163	1.3
299.23813	1.2
317.24792	5.8
335.25757	39.2
346.38586	0.6
353.26917	3.1
405.42722	0.6
435.32758	0.8
453.33597	3.4
471.34665	2.5
527.37201	6.1
545.38348	24.5
545.46753	1.2
563.39612	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91666	1.3
53.03933	3.7
55.05505	16.5
56.33546	1.5
57.03428	6.2
57.07069	3.7
59.15029	1.3
65.03924	2.4
67.05499	62.0
69.07060	17.3
69.71007	10.6
69.71651	1.8
71.04975	3.4
71.08636	1.8
79.05058	2.0
79.05489	32.9
81.03384	1.5
81.07051	100.0
83.04964	6.2
83.08612	9.3
84.40083	1.5
85.06528	6.2
91.04961	2.1
91.05475	29.0
93.06468	2.9
93.07040	44.7
95.04944	6.3
95.08600	48.1
96.18700	1.5
97.06509	6.2
97.10159	3.6
99.08091	2.6
105.07021	37.9
107.08576	26.5
109.06527	3.5
109.10146	23.2
111.08057	2.1
117.07009	6.5
117.35570	1.4
119.07790	2.4
119.08576	29.5
121.09319	2.2
121.10138	31.4
123.08058	3.7
123.11698	27.0
127.07514	1.5
129.07001	3.2
131.08521	8.7
133.10098	9.3
135.11674	8.5
137.13239	4.0
145.10117	8.6
147.11670	45.2
149.13252	7.3
157.10150	4.5
159.11682	5.8
161.13249	5.2
163.14789	1.9
165.12741	17.2
171.11726	1.5
173.13222	6.9
174.14291	1.7
175.14798	2.5
183.13771	3.8
187.14758	4.2
229.14294	8.0
243.21141	8.0
261.22116	33.6
267.15891	42.0
279.23102	5.1
285.16943	49.6
317.24625	8.9
335.25766	60.0
353.26590	3.9
465.70309	1.9
471.34787	3.4
527.37048	5.8
545.38287	35.1
563.38672	6.3
568.82239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01857	2.3
55.05258	1.6
55.05507	17.5
57.03432	8.7
57.07082	1.7
61.60950	1.2
65.03936	3.3
67.05499	56.3
69.07056	17.1
70.86188	3.2
71.04984	3.8
77.03939	1.6
79.05054	2.5
79.05485	32.2
81.07047	100.0
83.04968	5.3
83.08624	8.7
85.06532	4.1
91.05471	27.3
93.07040	35.8
95.04957	4.9
95.08598	47.1
97.06516	6.6
97.10161	1.9
99.08080	2.5
105.07018	33.9
107.08583	24.0
109.06507	5.1
109.10148	20.4
111.08064	1.5
117.07022	5.1
118.41486	1.4
119.08571	28.6
119.09359	2.6
121.10126	30.4
123.08055	4.2
123.11701	29.8
127.07558	2.2
131.08574	8.1
133.10126	11.1
135.11671	10.9
136.44032	1.3
137.13235	4.2
145.10112	7.9
147.11668	58.2
149.13275	7.3
149.88481	1.3
157.10155	1.5
159.11684	5.4
161.13278	4.8
163.11270	1.6
163.14824	3.2
165.12726	26.1
173.13229	6.3
175.11194	2.0
175.14806	1.7
183.13785	2.2
187.14864	3.0
191.93521	1.3
201.16316	1.4
229.14328	7.1
243.20973	6.3
261.22104	35.8
267.15884	42.4
279.23044	7.2
285.16937	52.5
317.24750	7.3
335.25763	48.3
353.26840	3.9
387.28024	1.4
401.80618	1.3
426.58743	1.3
453.33627	3.5
471.34558	5.3
527.37073	6.0
545.38367	23.9
563.39459	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01857	3.4
55.05510	15.8
57.03432	10.1
57.07050	1.9
65.03921	1.9
67.05497	66.6
69.07067	19.8
69.93640	7.8
71.04967	3.3
79.05484	40.1
81.07049	100.0
83.04980	4.5
83.08620	9.4
85.06535	5.7
90.72890	1.8
91.05472	26.5
93.07035	36.3
95.04946	4.5
95.08599	44.2
97.06503	5.7
97.10164	2.8
99.08078	2.1
105.07022	33.9
107.08586	31.8
107.62664	1.6
108.19755	1.6
109.06498	4.0
109.10143	19.8
117.06970	5.2
119.08565	28.2
121.10135	29.6
123.08043	4.0
123.11693	26.2
125.09680	1.8
127.07586	3.1
131.08556	11.9
133.10109	10.4
135.11687	11.7
137.09642	1.8
137.13171	4.4
145.10121	6.0
147.11664	47.0
147.12790	3.5
149.13283	8.0
159.11644	5.0
161.13222	6.6
163.11209	2.2
163.14745	5.3
165.12744	21.5
173.13174	5.4
175.14793	2.5
183.13803	2.3
187.14851	2.9
193.12247	2.5
229.14381	5.7
243.21094	10.4
261.22113	33.1
267.15906	41.6
279.23218	6.5
285.16949	36.9
292.21143	1.9
317.24600	10.2
335.25742	65.1
353.27011	2.8
453.33609	2.4
471.34482	3.6
527.36951	5.5
545.38348	30.1
563.38922	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.5
53.03928	2.9
54.06734	1.8
55.01865	5.3
55.05505	33.1
57.03429	8.5
57.07057	2.5
67.05499	80.1
69.03424	5.3
69.07066	23.0
69.96567	1.8
70.53291	4.4
70.53655	4.6
71.04988	6.8
71.59679	1.9
73.37966	2.1
79.05053	3.8
79.05486	50.7
81.03409	24.7
81.07049	88.6
83.04959	14.9
83.08604	25.4
85.02893	11.1
85.06537	4.8
91.05467	40.1
93.07032	54.8
95.04954	18.7
95.08598	64.3
97.06527	9.4
97.10161	18.3
98.21709	1.9
99.08082	4.2
99.62600	2.1
105.06299	2.6
105.07013	48.9
107.04986	4.8
107.08589	41.2
109.06487	8.7
109.10143	34.6
109.10815	3.1
111.04425	5.0
111.08065	8.9
115.05437	2.7
117.07004	16.3
117.88545	2.3
119.08571	40.5
119.09348	3.8
121.10118	25.5
123.08038	4.8
123.11708	12.9
125.09611	11.8
129.06972	10.0
131.08562	28.0
133.06448	2.7
133.10120	30.8
135.08040	3.5
135.11678	19.3
137.09593	3.7
137.13312	3.0
141.06935	3.3
142.07779	2.5
143.08539	11.1
145.10123	25.4
147.08000	2.4
147.11662	26.0
149.09644	6.9
149.13266	9.8
153.12698	4.4
155.08475	5.1
157.10098	19.5
159.11674	18.8
161.13205	12.0
163.11171	5.4
165.12839	2.7
169.10094	8.2
171.11632	10.4
173.09521	3.4
173.11948	2.8
173.13223	12.5
175.11171	8.3
175.14830	7.6
177.12796	3.0
181.10152	2.9
181.12157	4.2
183.11685	7.5
185.13272	6.2
187.14784	6.4
189.11230	9.4
189.16113	2.5
191.10725	2.9
193.12210	19.1
197.13222	5.1
199.14810	4.6
201.16312	4.6
202.05209	2.5
209.13397	3.4
211.13237	30.7
211.14952	3.2
213.16418	2.7
221.15526	2.0
223.14751	2.6
225.16426	3.4
227.12817	10.4
229.14337	7.9
261.22061	12.2
263.19968	2.6
267.15887	5.8
267.20966	2.6
279.23114	2.6
283.15259	3.1
285.16956	18.7
285.22025	5.5
301.25061	3.5
303.23218	9.1
317.24792	6.9
335.25781	18.0
359.25601	4.5
410.27524	2.8
435.32379	15.4
451.29742	2.4
453.33371	10.1
471.34613	11.4
487.34021	6.5
489.35587	2.6
509.35806	3.6
527.37299	41.0
545.38318	100.0
545.46820	4.8
546.38623	3.1
563.39478	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84480	1.8
53.03931	5.7
55.01867	4.3
55.05508	34.2
56.32012	2.2
57.03435	12.8
57.07066	5.3
61.77365	1.7
62.36932	1.8
65.78427	1.8
67.05501	80.9
68.58238	2.1
69.03431	4.4
69.07072	21.7
70.04859	3.7
70.05267	7.5
71.04987	5.7
79.05486	49.5
81.03415	22.1
81.07053	86.7
83.04977	15.4
83.08620	24.0
85.02903	8.7
85.06558	3.6
91.05475	42.5
93.06463	3.6
93.07035	51.5
95.04968	14.6
95.08600	61.9
97.06519	10.5
97.10165	15.9
99.04392	2.2
99.08106	4.6
105.07024	41.4
106.12157	1.9
107.04960	3.6
107.08582	38.5
109.06499	8.4
109.10149	32.2
111.04431	8.4
111.08076	9.5
115.05406	2.5
117.07026	19.6
119.08572	35.3
121.10136	27.7
123.08052	3.8
123.10900	2.2
123.11698	12.0
125.09618	12.8
128.06209	2.4
129.07040	10.9
131.08559	31.7
133.10135	28.5
135.08081	3.9
135.11700	18.9
137.09570	5.4
137.13196	2.5
141.07002	2.5
142.07803	2.2
143.08554	7.4
145.10114	24.9
147.08067	2.7
147.11690	21.8
149.09558	5.0
149.13234	8.4
151.11052	2.6
153.12732	4.0
155.08531	4.6
157.10117	16.1
159.11688	18.6
161.13234	10.1
163.11209	6.4
163.14761	3.1
165.12750	4.1
167.08629	2.5
169.10085	7.5
171.11703	8.3
173.11823	3.9
173.13255	13.6
174.74762	1.8
175.11191	5.8
175.14839	5.0
181.10139	2.9
181.12193	4.1
183.11685	6.7
185.13235	9.3
187.14807	4.3
189.11157	8.8
193.10574	2.7
193.12209	19.2
195.13731	1.9
197.13292	6.6
199.14822	5.4
201.16435	2.8
209.13356	2.3
211.13217	25.3
211.14876	2.6
221.13013	2.0
227.12755	10.4
229.14278	7.6
261.22156	12.4
267.15948	5.8
269.17508	3.2
279.23181	2.1
283.15356	3.1
285.16949	18.3
285.21970	4.6
301.21667	2.6
301.25275	2.7
303.23306	6.6
307.09592	1.8
317.24780	4.1
335.22235	1.9
335.25815	25.7
359.25775	5.3
417.31311	3.5
433.29480	2.6
435.32590	8.1
453.33655	9.9
471.34689	12.3
473.33136	3.9
478.77460	2.2
487.33960	5.7
489.36032	2.8
491.34586	2.1
509.36121	4.1
527.37354	37.0
545.38324	100.0
546.38641	3.3
563.39441	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04752	11.0
55.10069	10.3
56.72435	9.5
57.30276	10.5
58.46313	10.3
64.17108	12.0
64.79628	10.9
65.32127	10.9
67.05499	25.6
69.07067	17.1
71.59595	17.9
71.59975	10.6
73.32220	10.7
79.05492	27.7
81.03385	13.2
81.07040	33.2
84.82800	11.8
91.05466	34.0
91.06013	11.8
93.07023	33.4
95.04978	17.8
95.08586	27.2
102.25381	10.0
105.07022	44.9
107.08616	25.5
111.56218	10.2
117.07009	13.6
119.08596	62.5
121.10130	17.8
129.07077	12.5
131.08530	24.8
133.10110	100.0
142.07790	24.1
143.08562	32.0
145.10126	22.8
147.11719	16.9
149.91705	11.3
151.58937	12.1
156.09395	14.5
157.10117	33.5
157.18782	11.0
158.10924	14.4
163.11131	12.4
165.09100	16.5
169.10162	18.7
171.11650	28.4
173.13290	28.3
195.11790	18.9
199.14816	17.1
208.12488	11.9
209.13217	21.6
221.13348	14.5
221.15327	14.8
321.78769	15.1
450.88348	12.7
471.32242	35.0
527.85242	13.0
545.38104	16.2
563.38562	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1757
Annotation	Talosin B
Peak:m/z	Relative Intensity
57.03422	0.2
57.61573	0.1
62.36626	0.1
67.01854	0.4
68.99814	0.2
69.41454	0.1
69.41857	0.5
71.04986	0.7
73.02912	0.2
75.04453	0.2
81.03393	0.1
83.04967	0.4
84.35370	0.1
85.02417	0.1
85.02898	1.4
91.05464	0.2
95.04928	0.1
97.02946	0.1
111.00825	0.1
111.04424	0.2
117.05474	0.1
119.04935	1.4
121.02874	0.5
125.02403	0.1
127.03915	0.1
129.01741	0.1
129.05499	0.3
131.04822	0.1
137.06046	0.1
141.83496	0.1
145.02817	0.5
153.01817	3.4
163.03876	0.3
163.06021	0.1
171.02873	0.7
173.05905	0.1
177.05507	0.1
178.04997	0.1
187.03845	0.1
197.05965	0.1
203.07066	0.2
205.90018	0.1
225.05431	0.4
229.04988	0.2
231.06482	0.1
243.06444	0.3
247.06003	0.2
253.04941	0.1
255.06500	5.4
256.06873	0.1
261.12448	0.1
271.05988	100.0
272.06311	1.8
285.07556	0.2
313.07077	0.1
381.09695	0.1
399.10614	0.1
417.11752	0.4
513.58386	0.1
563.17249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1758
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.66047	0.5
55.01863	2.4
55.05483	0.7
56.96556	0.6
57.03432	4.3
59.04977	0.5
60.72583	0.4
65.03921	0.5
67.05463	1.1
68.99776	0.6
69.03394	1.1
69.07037	0.7
71.01315	0.6
71.04987	26.6
71.63570	0.7
75.04437	1.2
79.05466	0.5
81.03400	1.0
81.07011	1.8
83.04950	0.7
85.02901	29.4
85.06535	0.8
87.04438	1.1
91.05443	0.6
93.07017	1.0
95.04906	0.8
95.08550	1.1
97.02857	1.0
97.06501	0.4
105.06998	1.0
107.04942	1.1
107.08597	1.1
109.02838	0.4
109.10143	1.1
111.04397	1.5
119.04924	0.6
119.08579	0.8
121.02815	1.8
121.10112	0.6
125.05939	0.6
125.09601	0.7
127.03904	0.5
129.05476	4.0
131.04933	0.7
133.06474	3.1
133.10103	1.0
135.04407	9.8
135.05411	1.0
135.07973	0.4
137.05919	1.4
141.01775	0.5
145.02808	0.7
145.06421	0.7
147.06496	1.5
147.11664	0.6
149.02281	0.7
149.05994	0.6
159.04393	1.3
159.11699	0.4
161.05891	0.7
163.03918	1.3
165.01854	5.0
167.03346	1.5
167.06979	1.3
175.03851	1.3
177.05434	2.0
179.03357	1.4
181.04892	0.7
183.02875	5.0
191.03380	0.7
193.04901	0.6
195.02840	1.9
201.05350	0.6
203.03383	1.5
207.02858	1.0
207.06543	1.0
221.04482	1.2
231.02823	0.9
243.06534	1.1
249.03987	1.3
253.08640	0.9
255.06679	0.5
256.07288	0.6
264.07858	0.6
266.05551	0.6
267.06241	0.5
269.08029	0.8
271.05951	2.0
277.08673	0.6
278.05856	0.5
280.07236	3.6
281.08087	3.8
282.05206	1.5
282.08270	0.6
283.05936	1.3
284.06702	3.0
285.07581	5.3
292.07266	4.2
293.08014	2.3
294.05325	0.7
295.09595	6.9
296.06827	0.7
297.07553	65.7
298.08209	5.9
299.09030	0.5
302.29498	0.4
307.09531	3.0
308.06689	4.7
309.07565	8.6
311.05545	0.8
311.09103	9.9
312.06186	0.8
315.08646	3.9
319.09653	1.4
320.06683	4.6
321.07614	2.9
322.08401	0.7
323.05756	0.9
323.09094	23.3
324.09677	0.5
325.10669	4.0
327.08615	45.1
335.09113	29.1
337.06961	0.6
339.08582	8.1
339.12607	0.5
351.08597	54.4
352.08752	0.7
353.10193	4.5
363.08609	32.7
381.09671	74.2
382.10019	0.9
399.10733	33.2
417.11780	100.0
418.12277	1.1
563.15466	0.9
563.22614	2.7
563.33289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1755
Annotation	Rhamnellaflavoside C
Peak:m/z	Relative Intensity
55.01871	0.8
61.02905	1.2
66.66851	0.3
67.05487	0.6
68.99787	0.8
69.03122	0.4
69.03419	4.1
70.78077	0.8
70.78437	0.7
71.04993	0.4
73.02900	0.6
79.05482	0.7
81.03403	0.9
85.02905	4.6
85.07666	2.1
87.04462	0.6
91.03970	0.4
91.05480	0.7
95.04944	1.0
97.02889	2.7
99.04429	0.4
107.04962	2.1
108.04285	0.4
109.02843	1.0
119.04931	3.0
121.02864	5.0
127.03882	1.1
131.04906	0.7
134.85983	0.4
135.04433	0.4
137.05937	0.5
141.01788	1.0
145.02843	6.2
145.04907	1.0
147.04408	1.9
158.87167	0.5
161.05933	0.4
163.03874	1.2
165.01822	8.3
165.05464	0.4
175.03889	1.5
177.05444	0.6
179.03374	4.5
181.04897	0.5
183.02866	5.2
187.03894	0.6
189.01808	0.5
191.03372	1.1
193.04965	1.1
199.03795	0.5
201.05464	0.8
203.03387	1.8
205.04866	0.4
207.02855	1.1
209.04405	1.1
221.04443	1.3
229.04919	2.3
232.63843	0.4
236.28880	0.4
247.07780	0.7
253.08575	0.6
255.06538	0.9
265.08588	1.1
267.06442	1.8
269.08026	1.2
270.05261	1.7
271.06015	7.5
273.03970	0.5
277.33994	0.4
279.06540	1.5
281.08118	2.7
283.06003	100.0
284.06442	1.3
293.08035	6.1
295.06042	3.3
295.09659	1.7
297.03937	2.3
297.07535	33.5
298.07925	0.4
303.06512	3.6
305.07996	1.5
307.02499	0.8
307.05963	7.3
308.06747	2.4
309.07574	19.8
311.09125	13.4
319.09619	1.2
321.07562	54.8
322.08032	1.7
323.09100	18.8
327.08612	17.5
327.12601	0.7
335.08997	0.4
337.10660	6.7
339.08621	27.0
341.10260	0.8
347.09119	6.1
365.10184	30.0
383.11234	71.5
384.11731	1.2
401.12299	60.7
402.12344	1.2
545.16797	1.4
563.17279	3.5
563.24518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1755
Annotation	Rhamnellaflavoside C
Peak:m/z	Relative Intensity
55.01870	0.4
61.02893	0.4
64.81115	0.4
69.03419	1.5
69.32492	1.8
69.32922	3.0
71.04983	0.4
85.02882	2.1
90.60308	0.4
97.02901	0.9
119.04923	1.1
121.02863	2.6
127.03934	0.5
145.02834	2.6
147.04356	0.5
157.06505	0.8
163.03876	1.1
165.01823	3.1
171.04402	0.8
173.67937	0.5
179.03343	1.8
183.02899	1.7
192.24625	0.4
193.05000	0.6
203.03391	0.6
213.05504	0.5
221.04407	0.9
227.06920	0.7
229.04948	1.7
255.06505	100.0
256.06918	1.0
271.05984	8.4
281.08081	0.9
283.05994	34.3
293.08054	2.9
295.05942	1.3
297.07553	20.9
303.06259	1.0
305.08081	0.5
307.06012	2.6
308.06882	0.7
309.07556	7.1
311.09131	6.3
319.09622	0.6
321.03738	0.9
321.07556	18.1
323.09158	6.0
327.08618	6.0
331.57990	0.5
337.10532	2.5
339.08618	12.3
339.12714	0.6
347.09103	2.4
365.10144	13.1
383.11221	30.1
401.12308	28.6
545.16632	1.4
563.17108	1.3
563.33582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1752
Annotation	Glycyroside
Peak:m/z	Relative Intensity
52.28680	0.1
69.03401	0.2
69.61269	0.2
69.61608	1.4
71.04973	0.5
73.02867	0.2
79.05454	0.2
85.02885	0.7
91.05476	0.3
93.07050	0.2
95.04939	0.3
95.08577	0.3
97.02848	0.2
103.05463	0.2
105.07028	0.4
107.04942	1.2
107.08594	0.3
109.02859	0.2
109.10159	0.2
118.04153	1.9
121.02847	0.8
121.80196	0.2
123.04375	0.4
127.03908	0.2
131.04912	0.3
133.02896	0.3
136.01547	0.2
137.02335	0.8
137.05988	0.3
147.04410	0.2
147.74391	0.2
154.02608	1.4
163.03926	0.4
167.06973	0.3
169.06387	0.2
181.06499	0.4
182.07280	0.3
197.05916	0.8
197.15147	0.2
198.06677	0.4
210.06596	0.2
213.09090	4.8
225.05336	0.3
226.06210	2.0
237.05449	3.7
237.93001	0.2
241.08580	0.2
244.07805	0.2
251.06969	0.2
253.04938	3.4
253.08888	0.2
254.05717	5.0
255.06584	0.2
267.06488	0.7
269.08054	100.0
270.08414	1.1
271.05960	0.3
276.08215	0.2
283.06027	1.5
284.06738	0.6
295.06015	0.6
297.07471	2.0
297.24118	0.2
304.83859	0.2
309.07697	0.3
311.08997	0.8
313.06940	1.1
315.08560	0.3
321.07483	1.1
327.08569	0.3
339.08646	1.1
351.08597	0.3
363.08911	0.3
365.10123	0.6
381.09464	0.6
383.11127	1.0
399.10641	0.5
401.12161	2.3
417.11780	2.3
431.13321	1.5
445.00055	0.2
485.12128	0.6
527.13367	0.4
545.14130	0.3
563.17139	2.4
563.32806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1755
Annotation	Rhamnellaflavoside C
Peak:m/z	Relative Intensity
50.25832	0.5
51.45183	0.5
52.22200	0.4
55.01859	0.7
57.03395	0.8
59.06103	0.6
61.02897	1.2
64.71132	0.5
65.03923	0.5
67.05465	0.8
69.03419	4.0
70.82547	0.6
70.82886	1.0
71.04952	0.6
73.02895	1.1
81.03387	0.8
81.07013	0.7
84.18123	0.6
85.02892	5.1
85.07641	3.0
91.05469	0.8
95.04967	1.1
97.02892	2.6
107.04919	3.1
111.04448	0.9
119.04940	2.8
121.02859	5.8
127.03909	1.1
131.04907	1.1
133.06494	0.7
141.01787	0.9
145.02841	6.6
145.04913	0.7
147.04373	1.8
163.03896	2.0
165.01840	8.9
175.03882	2.1
179.03392	4.0
183.02876	6.3
189.01790	0.7
191.03273	0.7
193.04880	1.2
197.04359	0.7
203.03394	1.4
207.02856	1.1
209.04483	1.0
221.04492	1.5
229.04974	2.7
247.05832	0.8
255.06409	0.7
265.08615	1.0
267.06519	1.9
269.08017	0.8
270.05136	0.7
271.05988	6.9
279.06488	1.6
281.08023	2.4
283.05994	100.0
284.06552	1.5
293.08044	6.9
295.05978	3.2
295.09586	2.4
297.03928	2.3
297.07523	33.4
303.06519	4.3
305.08109	1.5
307.06018	7.1
308.06720	1.8
309.07553	21.1
311.09137	15.1
319.09586	1.6
321.07553	52.8
322.08087	0.7
323.09091	18.7
327.08615	16.1
327.12549	0.8
335.09302	0.7
337.10645	7.7
339.08603	26.5
339.12726	1.3
341.10339	0.7
347.09134	5.2
365.10187	32.8
383.11215	69.7
384.11493	0.9
401.12280	62.9
402.12921	0.7
545.16583	1.7
563.17224	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1752
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
57.03425	0.9
69.49555	3.7
71.04987	3.2
77.03967	0.4
85.02913	4.7
88.36448	0.5
98.20734	0.9
111.04465	0.5
121.02862	5.5
126.67751	0.5
131.04924	0.5
157.06458	0.8
173.08162	0.5
213.05458	0.9
223.07632	0.7
239.06979	3.5
240.07706	2.4
243.06587	1.1
251.07028	1.8
252.07819	0.6
254.05701	1.9
255.06514	4.8
263.07056	1.4
264.07745	0.9
265.08521	2.7
267.06503	45.1
268.07294	16.5
269.07877	2.8
277.08508	0.7
279.06531	4.1
279.10147	2.1
281.05002	0.5
281.08051	7.6
283.05850	1.1
284.06369	0.6
289.08606	1.3
292.07254	3.7
293.08002	5.9
295.06052	2.1
297.07556	49.1
298.07962	1.1
300.06393	1.1
305.08130	1.9
307.06030	1.9
307.09537	15.6
308.09848	0.8
309.07565	2.9
310.07635	0.6
311.08932	0.8
313.07205	0.8
315.08542	3.8
317.08023	1.1
321.03772	0.8
321.07556	16.5
323.08914	0.6
327.08661	2.2
333.07587	4.7
335.09152	5.9
337.06894	0.7
339.08102	1.1
345.07693	1.0
351.08585	7.3
363.08591	12.0
381.09662	12.9
399.10709	13.5
401.14334	0.8
417.11780	100.0
418.11984	2.0
545.16577	0.7
563.17413	8.9
563.33868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93441	4.0
55.01856	6.8
55.05498	31.8
57.03433	14.2
62.52531	3.8
62.84016	4.1
64.98621	4.2
65.03946	6.4
67.05495	96.1
67.05827	7.9
69.07059	32.3
70.94688	8.6
70.95068	8.9
71.04991	11.1
79.05485	65.3
81.03407	8.8
81.07048	100.0
83.04987	13.3
83.08624	18.5
85.06572	9.2
91.05468	80.8
93.07030	69.7
95.04942	22.2
95.08595	61.9
97.06535	17.8
97.10154	9.1
99.08057	5.4
105.07019	64.6
107.04980	6.5
107.08581	45.0
109.06533	9.1
109.10142	27.0
111.04436	11.2
111.08067	6.2
117.07002	24.1
119.08562	64.8
121.10155	41.4
123.04431	8.1
123.08086	7.0
123.11680	21.0
125.09626	9.0
128.06192	5.2
129.07022	11.3
131.08562	31.2
133.06551	6.3
133.10107	44.6
135.11646	21.4
143.08575	12.3
145.06525	5.1
145.10088	27.0
147.11673	54.6
149.13249	12.1
153.12820	6.1
155.08606	7.7
157.10162	16.2
159.11682	22.7
161.12132	5.0
161.13182	22.8
163.11148	4.5
165.12737	13.0
171.11717	13.2
173.09552	6.1
173.13359	7.0
175.11160	5.5
175.14777	7.6
183.11671	5.1
185.13232	10.4
187.14801	6.8
189.12921	5.8
193.12253	8.8
195.11853	4.8
209.11752	19.2
227.12735	8.7
229.14462	6.6
241.19514	16.4
259.20581	31.2
267.15924	18.3
273.21841	5.0
277.21613	7.1
283.15540	7.2
285.16940	28.9
315.23233	7.0
333.24069	23.7
375.41693	5.3
433.30984	8.5
451.26163	4.7
451.32129	14.1
469.32886	13.5
515.37103	6.3
525.36212	21.5
543.29211	7.4
543.36823	88.8
561.37939	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15571	1.9
53.03942	3.5
54.96469	1.6
54.97431	1.6
55.01863	3.6
55.05508	16.7
57.03435	13.9
57.07079	3.1
62.79592	1.7
65.03932	2.7
66.60203	1.6
67.05500	59.2
67.22838	1.5
69.03432	3.0
69.07066	22.9
71.04988	5.4
71.61346	3.2
76.25067	1.8
79.05052	3.2
79.05489	47.9
81.03400	6.2
81.07050	100.0
83.04984	7.4
83.08628	9.9
85.06535	6.9
91.05475	61.7
93.07033	53.2
95.04977	11.2
95.08601	35.9
97.06527	7.3
97.10184	3.8
99.08086	6.3
105.07024	76.4
107.08582	41.0
109.06501	9.0
109.10145	13.3
111.04455	2.5
111.08122	4.6
113.06007	3.2
117.07047	9.8
119.08568	62.7
121.06412	2.1
121.10141	33.3
123.08061	5.4
123.11703	29.6
125.09624	1.9
128.06218	2.8
129.06989	6.5
131.08542	20.6
133.10117	33.6
133.11070	2.5
135.11690	15.4
137.09633	3.3
137.13275	2.1
139.11110	2.4
141.09084	1.8
143.08545	6.5
145.10130	18.5
147.08051	3.6
147.11671	93.9
149.09615	2.4
149.13264	8.2
157.10103	10.5
159.11642	16.2
161.13245	26.3
163.11211	2.7
163.14804	4.1
165.12752	22.7
171.11662	9.0
173.13245	9.6
175.11118	2.7
175.14862	11.5
177.12785	2.2
183.13885	3.0
185.13295	8.8
187.14810	4.1
193.12212	3.7
199.14880	5.2
211.13235	3.0
229.14348	4.3
231.21091	5.0
241.19489	26.6
255.17374	1.8
259.20557	55.4
267.15921	34.4
277.21655	8.1
285.16953	51.4
310.28064	1.9
315.23294	6.5
333.24194	43.8
351.25177	8.1
451.31940	3.7
469.33389	2.3
525.35767	6.6
543.36688	24.6
561.37848	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01868	9.8
55.05511	27.9
57.03434	12.8
65.03928	4.3
67.05502	70.4
67.20644	1.7
69.03429	3.2
69.07063	20.8
70.88380	3.9
70.88761	4.2
71.04979	7.4
79.05005	1.8
79.05487	65.6
81.03412	20.9
81.07053	100.0
83.04986	18.0
83.08616	18.0
85.02900	6.7
85.06535	6.9
91.05476	58.2
91.33488	1.9
93.07039	77.4
95.04951	15.8
95.08603	54.0
96.80910	1.7
97.06546	12.6
97.10162	7.4
99.04443	3.5
99.08089	5.5
105.07024	59.7
107.04956	9.2
107.08588	46.3
109.06521	6.5
109.10149	24.2
111.04427	17.1
111.08080	11.5
113.09618	1.8
117.06992	17.8
119.08572	56.4
121.06449	2.5
121.10136	48.6
123.08072	6.7
123.11711	16.5
125.09596	4.8
127.07510	2.0
129.06992	12.2
131.08562	29.5
133.10117	27.3
135.08040	4.0
135.11691	29.6
137.09576	2.3
137.13254	3.0
139.11229	2.4
143.08543	6.7
145.06471	2.1
145.10110	27.4
147.08009	2.4
147.11682	60.4
149.09622	5.1
149.13231	9.7
151.11174	3.3
153.12772	6.0
155.08557	4.0
157.10153	8.6
159.11681	15.2
160.62566	1.9
161.13211	11.9
163.11162	15.3
163.14870	2.2
165.12735	19.0
169.10104	2.6
171.11688	5.8
173.09665	7.1
173.13277	6.7
175.11200	6.8
175.14871	5.9
177.16451	2.0
181.10847	2.2
181.12247	15.9
183.11626	2.3
185.11795	1.8
185.13263	5.8
187.14807	5.3
189.11189	2.8
191.10672	10.7
193.12234	8.9
199.14873	3.5
201.16359	2.4
205.15807	2.3
209.11650	2.7
211.13312	8.1
223.14906	2.5
227.12715	14.2
229.14337	4.2
231.21089	2.2
241.19518	10.5
259.20541	30.6
259.23013	2.9
261.22232	8.8
265.14297	4.1
267.15869	27.8
275.20184	2.4
277.21616	9.5
283.15387	24.3
285.16949	27.2
315.23221	4.6
317.24753	5.0
333.24252	21.3
335.25937	2.5
351.25327	5.3
433.30579	3.0
451.32025	4.1
469.33267	6.6
487.33963	2.5
489.32703	2.5
515.37201	4.9
525.35736	12.1
543.36841	38.5
561.28741	4.3
561.37854	83.6
562.38873	2.9
567.04865	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30409	2.5
53.03928	8.5
55.01863	8.3
55.05510	27.5
57.03442	19.4
65.03939	4.6
67.05167	5.0
67.05501	72.8
69.03425	11.1
69.07062	25.6
70.46286	5.4
70.46672	5.5
71.04980	10.2
73.02895	7.3
79.05488	54.9
81.03407	45.7
81.07053	85.2
83.04971	9.1
83.08623	22.1
85.02904	19.1
85.06516	7.3
91.05477	62.1
93.07035	58.0
95.04961	21.1
95.08605	55.6
95.09165	5.3
97.02867	4.5
97.06525	9.3
97.10160	12.4
99.08056	5.1
105.07018	53.4
107.04975	4.4
107.08583	45.2
109.02862	10.2
109.06494	4.8
109.10155	22.6
111.04456	8.3
111.08081	7.9
115.05450	3.5
117.07029	14.8
119.08585	45.1
121.06509	3.4
121.10136	39.2
123.08075	8.0
123.11726	9.8
125.09623	8.2
129.07014	17.6
131.08553	27.9
133.10127	25.1
135.08047	4.0
135.11703	16.4
137.09650	4.9
141.06990	3.8
143.08551	9.5
145.10088	25.6
147.08022	4.8
147.11678	45.1
149.09631	7.3
149.13223	8.3
151.11180	3.7
155.08536	4.5
157.10149	13.1
159.11693	14.0
161.13243	12.8
163.11206	4.9
163.14830	4.5
165.12729	7.7
169.24397	3.0
171.11644	7.9
173.13261	9.2
175.11180	9.5
185.13251	6.1
187.14827	8.7
193.12204	30.8
205.15901	4.5
211.13264	31.7
227.12846	4.2
241.19601	8.6
242.03185	3.1
259.20587	21.8
261.22061	5.1
267.15826	20.9
275.20157	3.0
277.21625	18.8
285.16925	16.0
311.37564	2.8
315.23291	3.6
333.24307	12.0
335.25882	3.8
351.25247	5.9
355.93204	3.0
356.23196	2.8
359.17337	4.9
451.31982	6.0
469.33344	4.5
525.36115	7.2
543.36768	40.8
561.27863	8.8
561.37854	100.0
562.38171	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	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01871	4.1
55.05509	19.4
57.03428	11.3
65.03935	2.2
67.05498	53.2
68.50920	2.2
69.07056	24.3
70.41058	4.0
70.41452	6.2
71.05004	4.7
79.05482	47.9
81.03415	8.7
81.07054	100.0
83.04979	9.9
83.08611	10.6
85.06558	5.4
88.47258	2.2
91.04890	2.8
91.05473	59.7
93.07032	46.3
95.04964	9.5
95.08595	35.6
97.06528	6.8
97.10144	5.0
99.08097	6.3
105.07023	69.8
107.08587	35.4
109.06512	8.0
109.10153	11.0
111.08112	2.6
117.07017	12.0
119.08565	66.8
121.10147	34.4
123.08061	6.6
123.11690	22.1
125.09639	3.9
129.06985	9.8
131.08551	21.8
133.10123	38.1
135.08034	3.3
135.11665	14.4
141.06844	2.6
143.08569	7.1
145.10077	20.3
147.08087	3.0
147.11676	96.0
149.09561	2.6
149.13246	7.1
155.08592	3.8
157.10100	14.8
159.11688	14.4
161.13258	24.8
163.14888	4.2
165.12735	29.7
166.49117	2.6
169.10092	3.4
171.11717	9.9
173.13245	11.1
175.05937	2.3
175.11160	3.2
175.14833	14.5
175.93643	2.6
177.12671	2.8
183.13881	4.6
185.13254	11.6
187.14784	3.9
189.12576	3.3
191.14378	2.2
193.12253	5.9
197.99823	2.2
199.14861	4.9
229.14398	10.6
231.17525	2.9
231.21156	7.3
241.19514	32.4
244.38815	2.7
259.20554	71.4
267.15894	36.5
277.21689	8.5
285.16962	70.9
304.46576	2.5
315.23169	9.8
333.24246	57.2
351.25354	10.3
396.95239	2.4
451.32193	3.4
469.33072	6.2
525.35736	7.1
543.36615	33.7
561.37915	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	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.4
57.05812	0.3
57.07048	0.4
58.06586	0.3
60.04511	0.5
67.05494	1.0
69.03434	0.2
69.07059	11.5
70.06601	1.7
70.92611	0.5
72.04478	0.2
73.04042	0.2
74.02431	0.3
79.05510	0.2
81.07060	0.3
84.08138	8.5
85.03988	0.3
85.08920	0.5
86.09699	100.0
91.05487	0.7
95.04967	1.5
96.08122	0.7
97.06531	0.3
102.09175	0.3
112.07608	2.1
113.10755	0.5
117.07051	0.3
119.04894	1.1
121.06519	0.3
123.04441	0.5
124.07592	0.5
128.10706	18.7
131.87288	0.2
132.08060	0.3
133.10199	0.3
136.07555	2.4
136.08415	0.3
141.10213	1.1
143.04929	0.2
145.06534	0.2
146.06010	0.3
147.04405	1.0
152.14381	0.7
154.16006	0.3
156.10197	3.4
160.07564	1.6
161.09627	0.7
162.05598	0.2
165.05438	1.1
167.07018	0.2
173.09587	0.3
174.12721	0.5
180.13812	1.7
182.08102	2.3
185.09677	0.6
187.11194	0.4
189.05455	0.7
189.09093	7.4
190.12379	0.4
197.16499	2.6
202.12245	11.4
206.08159	0.8
208.13197	1.3
213.09174	0.6
219.14938	0.7
220.13364	0.4
225.15971	6.2
225.19475	0.2
229.13283	0.2
230.11739	0.5
231.10149	8.5
247.14417	0.3
248.12801	12.7
258.11319	0.5
259.46466	0.2
265.15457	5.9
267.17020	12.0
275.13870	1.6
276.12408	0.8
283.31192	0.2
293.14981	2.1
295.16510	6.6
312.44052	0.2
315.20609	0.3
333.14542	0.7
352.25931	1.8
361.21140	7.1
361.25507	0.4
374.81958	0.2
378.23865	4.5
380.25562	2.8
388.22266	0.8
389.20551	1.5
406.23343	24.6
434.22968	0.9
448.24463	2.9
458.22818	0.3
482.30151	0.3
499.32196	0.2
500.31290	0.4
502.29175	0.4
533.33167	1.0
543.31885	0.7
561.32800	20.3
562.33252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01870	12.2
57.03416	9.0
61.02909	2.9
65.03927	3.9
67.05485	4.0
68.99775	7.7
69.03420	33.2
71.01353	3.0
71.04987	4.8
71.59587	2.7
73.02894	5.9
79.05486	5.7
81.03411	22.0
81.07041	5.2
83.04962	5.1
85.02897	67.3
85.07663	6.3
86.06067	3.9
87.00829	22.3
87.04456	4.8
91.05463	8.5
93.07024	4.7
94.04166	4.2
95.04957	5.1
97.02878	24.9
99.04448	3.3
103.03920	3.2
103.08695	5.6
105.01839	10.7
105.07057	4.9
107.04943	7.3
108.43285	1.8
109.02847	14.0
109.06531	2.6
111.04421	6.5
115.03925	29.1
115.05441	4.6
117.07023	5.6
119.04925	4.3
121.02834	3.3
121.06483	4.0
122.03635	8.2
123.04425	3.4
123.08055	2.4
125.05959	2.0
127.03912	25.1
128.06181	2.3
128.93578	2.5
129.01947	2.4
129.07014	2.5
131.04912	7.8
133.06483	4.6
134.23334	2.0
135.04384	2.3
135.08014	3.8
137.05965	100.0
141.05415	2.6
145.06476	5.8
147.08073	2.2
149.05907	5.4
151.03888	55.4
151.05046	2.3
151.07526	22.8
153.06995	2.6
157.06403	5.1
159.02927	2.5
160.05229	2.8
161.05942	16.0
163.07561	13.1
165.05461	7.3
167.07021	2.7
169.06447	3.3
171.02800	5.3
171.08022	3.0
174.06747	4.8
175.03850	2.2
175.07509	31.5
177.05499	3.8
177.09062	5.9
181.06476	6.7
185.05968	4.2
187.07501	13.9
189.03928	8.2
189.05418	3.0
189.09109	7.8
191.06987	5.6
191.08534	3.0
193.04915	3.7
193.08566	2.7
194.07243	2.7
195.08234	2.9
195.10172	10.3
197.05956	4.2
199.07484	3.4
201.03893	8.2
201.05498	2.9
201.09090	6.2
203.06967	8.4
203.08644	2.6
205.06754	2.3
205.08582	5.2
207.06465	3.5
208.08864	3.1
209.08067	84.3
209.09569	3.7
211.07539	6.0
213.09129	5.8
215.06978	5.8
219.02991	4.8
219.04971	10.7
219.08078	5.0
219.10103	4.8
221.06136	2.9
222.06673	3.8
223.07625	3.5
225.09036	3.7
227.06952	2.5
229.08540	6.0
231.04967	3.9
231.08063	4.1
231.10246	3.4
232.08791	2.7
233.09695	3.2
235.07579	3.6
236.08325	2.6
237.09103	3.9
239.06984	5.3
241.08525	4.0
243.10172	3.9
245.09579	3.8
247.07515	6.8
248.08286	5.8
249.09122	4.5
250.06210	4.2
251.06888	5.1
251.10788	3.8
257.07910	2.3
259.07428	4.2
261.08923	5.0
261.11313	5.1
263.10812	5.1
264.07892	5.2
265.08472	18.4
266.09222	2.9
267.10162	3.6
271.07300	2.5
273.08978	4.5
274.09839	4.4
275.10574	2.5
276.07849	4.4
277.08640	8.8
278.09372	3.4
279.06607	3.1
279.10129	7.4
281.07980	4.2
281.11624	2.3
283.06003	6.7
283.09473	3.3
285.11505	3.0
286.10349	2.4
289.08582	5.2
290.09415	4.4
291.09955	10.5
292.07019	5.0
292.10938	2.4
293.08279	3.7
293.11743	7.4
294.08847	3.7
295.09659	3.9
297.07562	13.2
297.11188	8.3
299.12827	7.8
302.09372	5.0
303.10178	7.2
304.10938	2.8
305.08264	4.1
305.11670	7.0
306.08740	4.0
307.09561	8.5
308.10342	5.0
309.07687	3.1
309.11188	50.6
310.11865	2.4
311.12778	21.6
317.11304	4.1
319.09656	2.5
320.10336	5.7
321.07910	2.5
321.11267	13.7
323.09424	2.8
323.12604	13.5
325.14398	4.4
327.16019	2.3
333.11154	3.5
334.11835	4.0
335.12738	18.5
337.14307	8.7
339.12503	4.1
341.13889	29.8
343.15536	15.7
345.11234	2.9
347.12775	5.0
349.14319	5.9
351.16049	2.7
353.10184	3.0
353.13828	21.9
355.08224	4.9
355.15308	13.8
361.14236	6.1
362.11304	2.9
365.13788	8.8
367.15329	21.8
369.16995	3.2
371.12766	2.4
375.11902	4.7
377.13831	3.5
379.15384	9.0
381.09644	2.6
383.14981	2.8
385.16449	5.8
389.13571	7.2
393.17056	4.9
397.16357	9.5
399.10583	16.1
403.15314	14.0
409.16083	2.5
415.10120	4.8
421.16412	43.7
439.17593	15.6
457.18552	7.3
507.16446	2.6
525.17572	9.8
543.18439	9.0
561.20123	10.4
561.32446	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	561.1597
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
53.97437	0.3
55.05486	0.7
57.03420	0.5
60.71286	0.3
67.05473	0.6
69.03397	1.3
69.07050	0.8
71.04995	2.3
71.63313	0.8
72.46501	0.4
79.01843	0.5
79.05470	1.0
81.03364	0.8
81.07006	1.2
83.04960	0.6
85.02891	4.7
91.05441	1.3
93.06989	1.2
95.04974	0.4
95.08566	1.1
97.02860	0.8
97.06527	0.5
99.04475	0.4
99.08152	0.4
105.07000	1.0
107.04895	0.6
107.08556	1.0
109.02850	0.6
109.10085	0.7
111.04388	0.5
115.05389	0.4
117.03192	0.3
117.07063	0.5
119.04892	1.7
119.08543	1.1
121.02865	6.7
121.10113	0.9
122.03593	0.6
123.04430	0.5
123.11666	0.6
127.03878	0.6
129.05452	0.5
129.06993	0.6
131.04903	0.6
133.10162	0.5
135.04326	0.4
135.11621	0.5
137.05971	5.9
145.02811	0.8
145.10103	0.4
147.04340	0.7
147.11641	0.6
151.07515	1.1
157.10184	0.4
158.95699	0.4
159.08104	0.4
163.03853	1.3
163.07567	0.4
165.01869	0.5
167.07008	0.8
171.02840	0.5
173.05936	0.6
175.03917	0.9
175.07599	0.5
177.05510	0.5
179.03348	0.8
183.02847	1.1
187.03838	0.5
187.07587	0.4
189.08965	0.4
191.03336	1.1
207.02974	0.5
207.06563	1.9
213.05409	1.2
227.06967	0.9
233.04454	2.1
233.08054	0.7
235.02269	1.5
243.06577	0.9
255.06450	2.2
256.07297	1.8
259.06061	0.5
267.06525	0.8
271.06018	3.1
277.08691	0.7
279.06445	0.7
283.06012	30.0
284.06787	19.0
284.10010	0.8
285.07581	1.4
295.05954	5.3
297.07538	16.7
299.05530	3.3
305.08014	0.4
307.05872	1.2
308.06961	0.5
309.07581	1.5
311.05444	8.2
311.08868	0.6
312.06116	0.9
313.07043	60.4
314.07373	0.5
315.04999	0.5
323.05569	0.9
323.09119	4.5
323.12772	0.7
325.07068	7.5
325.14191	0.4
335.05408	0.6
337.07104	1.0
337.14743	0.4
337.27213	0.8
339.05038	1.1
343.08078	6.9
351.08551	2.6
353.06531	13.6
353.21033	0.5
355.15262	2.2
369.09717	4.2
371.07626	9.0
379.08124	3.2
381.20337	0.6
387.10632	1.4
397.09177	12.1
398.25781	0.5
399.21881	0.7
399.26694	2.0
415.10220	100.0
416.10492	1.6
499.31851	0.4
543.23663	0.5
560.31439	0.6
561.15967	6.5
561.23291	0.6
561.31885	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	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72739	0.2
53.03942	0.4
55.01861	0.6
55.05259	0.4
55.05508	5.1
57.07071	16.7
61.02913	0.4
65.03939	0.7
67.05503	0.4
69.03419	1.3
69.07076	0.3
69.32969	0.4
69.33373	2.1
71.04993	0.3
73.02917	0.4
73.06549	0.7
81.03413	1.8
81.07030	0.6
85.02897	3.2
87.00828	1.3
87.31818	0.2
91.05470	0.3
93.03395	0.3
93.07043	0.3
95.08594	0.7
97.02876	1.8
99.04444	0.8
105.01868	0.8
107.08615	0.3
109.02895	1.1
109.10156	0.6
111.04432	0.3
117.01823	0.3
119.08594	0.3
121.02860	1.8
121.10196	0.2
127.03910	2.3
129.07004	0.4
131.08569	0.5
145.04941	0.8
147.11729	0.3
149.02332	100.0
150.02670	0.3
157.06432	0.3
159.02866	0.9
161.05922	1.2
167.03412	1.9
175.07539	4.8
175.09921	0.2
190.04979	1.0
203.07018	6.7
205.08585	9.2
221.08150	1.4
223.09573	0.3
231.04918	0.4
277.14334	47.0
278.14676	0.3
295.15372	4.7
316.06461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.05518	26.1
55.36716	4.3
57.03434	13.1
58.21252	4.4
65.28304	4.6
67.05505	100.0
69.07074	22.6
70.06548	6.0
76.57083	4.5
79.05497	86.6
81.03428	11.8
81.07058	79.1
83.04982	12.8
83.08615	12.9
88.07632	7.4
91.05482	54.7
93.07054	88.3
95.04961	24.1
95.08607	53.0
97.06530	5.7
104.30860	4.6
105.07025	40.5
107.04934	5.8
107.08577	30.1
109.06512	5.8
109.10175	17.0
117.07013	12.4
119.08588	28.1
121.10152	18.3
129.06989	14.5
131.08591	10.7
133.10130	15.5
135.02200	5.2
135.11711	10.4
143.08612	6.3
145.10060	7.1
147.11693	37.9
159.11743	4.9
161.13287	9.0
171.11713	20.9
189.12872	5.6
207.13855	18.4
208.94508	4.6
252.79552	5.3
256.26251	7.6
261.22113	10.1
281.17487	30.8
335.25818	58.1
379.22610	4.4
385.61533	4.6
467.21967	5.5
541.38843	90.9
559.39130	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01858	6.8
55.03637	3.3
55.05509	36.7
57.03437	20.9
60.23833	2.9
67.05502	50.5
69.03405	4.5
69.07068	16.5
69.92005	11.1
69.92418	5.9
71.04985	6.0
79.05489	39.5
80.37768	3.2
81.03409	23.6
81.07056	52.6
83.04978	9.4
83.08617	22.1
85.02901	10.8
85.06549	5.0
87.99555	3.1
91.05476	45.3
93.07034	32.8
95.04960	16.1
95.08604	22.2
97.06528	6.2
97.10162	16.9
98.21401	4.5
99.08095	4.1
105.07039	46.6
106.07571	2.9
107.04949	7.0
107.08592	25.7
109.06525	10.1
109.10154	13.6
111.08073	11.4
115.05445	5.0
117.07029	25.8
119.08579	27.4
121.06518	4.7
121.10146	13.3
123.08075	6.5
123.11733	4.3
125.09612	12.9
128.06160	3.7
129.06998	24.1
131.08548	35.2
133.06451	4.4
133.10132	19.4
135.07988	7.1
135.11696	6.4
137.09633	3.6
141.06984	9.4
142.07739	3.1
143.08583	18.7
145.06522	5.3
145.10115	42.2
147.11678	20.8
149.09575	7.5
149.13257	3.8
155.08507	16.7
157.10092	28.5
159.11719	24.3
161.09570	5.0
161.13226	4.8
167.08586	7.8
169.10155	13.2
171.08055	3.1
171.11679	14.4
173.09641	4.3
173.13281	9.5
175.11229	7.5
178.73193	3.1
181.10156	6.5
183.11696	11.7
185.13264	13.6
187.11145	4.2
189.11232	5.4
193.12161	19.5
195.11632	4.9
197.13235	6.4
199.14764	3.1
203.14294	7.0
207.11772	4.2
209.13286	5.0
211.11421	5.3
211.13145	17.0
215.14600	3.5
227.12740	8.8
239.18024	8.5
243.17418	4.1
249.07024	3.0
253.18086	4.8
257.19061	18.2
267.15833	17.6
275.20068	12.9
285.16934	9.7
299.19958	6.1
313.21750	4.3
315.23242	6.7
331.22610	5.7
349.23831	6.8
383.25232	3.7
413.28207	3.7
431.29425	5.3
449.30475	12.0
467.31610	13.5
469.29507	3.6
485.32620	12.3
487.30377	9.3
523.34161	8.2
541.35284	72.1
542.34613	3.9
559.27319	4.8
559.36310	100.0
560.36359	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
57.03428	2.7
69.03416	14.4
70.65796	3.0
70.66125	5.8
73.02911	3.7
76.77339	2.4
79.05492	5.1
81.03411	8.8
81.07050	3.0
85.02899	25.8
91.05473	13.3
91.82963	2.2
95.04928	2.6
97.02872	9.2
103.05474	11.4
105.07027	9.7
107.04954	27.4
109.02829	2.9
112.11769	2.5
115.05482	4.8
119.04939	14.8
121.06490	10.2
127.03925	9.2
127.08914	2.1
128.84291	2.2
129.07008	5.4
129.80002	2.1
131.04877	11.5
133.02814	17.0
133.06477	19.2
135.04356	4.1
135.08025	7.5
137.05960	100.0
142.08600	3.6
145.04938	5.7
145.06564	2.6
147.04413	18.3
148.05222	2.7
149.05922	19.1
150.06729	4.1
151.07513	42.2
157.06448	4.3
159.78957	2.2
160.05150	3.1
161.05966	77.7
161.09593	13.0
162.06750	8.2
163.07535	65.5
165.05460	5.3
165.09122	9.2
167.07033	4.2
174.06821	3.0
175.07526	13.7
177.05473	5.9
177.09068	3.1
179.07004	31.1
181.08559	16.4
189.09094	46.0
189.10712	4.2
191.07037	10.8
193.08524	2.5
195.08031	6.7
197.05968	3.4
201.09088	2.4
203.07001	4.5
207.10156	93.3
217.08582	3.6
219.10185	4.5
221.07881	3.5
225.11143	2.6
227.10503	3.0
231.10225	3.6
253.12152	2.8
255.10124	5.4
273.11261	7.4
285.11215	6.7
287.12769	9.7
291.12262	13.2
293.10242	3.0
299.12744	3.5
309.13388	4.0
311.11859	3.5
313.14377	11.8
325.14276	2.6
331.15393	55.6
343.15414	12.5
520.40369	2.8
533.63025	2.8
558.29950	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03433	2.1
61.02933	1.8
67.46155	1.3
68.10828	1.2
69.03421	7.7
71.15286	2.6
71.15621	1.9
72.21381	1.2
77.36886	1.3
79.05493	1.8
81.03413	5.3
81.07050	1.9
83.86223	1.2
85.02898	19.5
91.05473	10.0
93.07030	1.8
95.04974	3.2
97.02875	4.4
97.14676	1.4
99.04460	2.1
103.03967	2.7
103.05470	11.6
105.07037	13.0
107.04945	23.4
107.05614	2.4
109.02863	2.8
109.06519	1.5
115.03957	1.2
115.05465	4.1
117.06979	1.9
119.04935	9.5
119.32410	1.4
121.06501	6.1
122.03661	3.5
127.03942	8.6
129.07027	3.1
131.04913	12.8
133.02861	12.8
133.06479	17.0
135.04437	1.6
135.08060	7.3
137.05965	84.5
145.04970	3.8
145.06494	2.0
146.07309	2.1
147.04413	14.9
149.05972	16.1
150.06767	4.0
151.07544	33.6
157.06491	5.4
160.05182	1.9
161.05971	66.1
161.09575	16.7
162.06700	6.8
163.07533	59.1
165.05496	4.1
165.09113	6.6
167.07037	5.4
167.23442	1.4
169.00305	1.4
174.06761	3.1
175.07536	12.4
177.05421	4.1
177.09113	5.1
179.07045	23.7
179.08521	2.6
179.10677	1.6
181.08585	17.3
181.10014	2.1
183.10167	1.7
185.06004	1.6
187.07481	2.8
189.09102	39.4
191.07031	11.4
193.08565	2.4
195.08072	4.1
195.10011	1.6
197.09599	1.7
201.09135	2.6
203.07039	5.4
205.08614	1.6
207.10155	100.0
213.09084	1.7
215.06911	2.5
217.08641	2.6
219.10146	4.5
221.07947	1.7
223.07587	2.2
225.09116	2.7
225.11267	3.6
227.10657	5.7
229.08606	4.1
233.08011	1.8
236.94475	1.4
241.08580	1.5
245.07896	1.6
247.09500	1.6
249.11118	2.6
253.08562	2.5
253.12404	2.1
255.10181	4.9
257.08252	2.2
259.09729	1.6
265.08548	1.6
273.11191	9.0
275.09119	3.1
275.12769	1.8
285.11215	6.3
287.12634	10.0
291.12268	13.7
293.10037	2.0
297.11279	4.3
299.12753	1.8
309.13333	3.9
311.13043	3.2
313.14252	16.4
323.11188	2.9
325.14258	3.6
331.11414	2.3
331.15396	47.8
343.15363	15.8
367.15234	1.8
385.45599	1.4
469.18649	1.7
498.21341	1.5
567.57703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38747	0.8
52.08763	0.8
53.03940	8.2
55.01861	2.4
55.05507	7.0
57.03430	1.6
57.07068	2.3
61.91569	0.7
65.03925	1.8
67.05501	42.1
69.03422	0.8
69.07056	7.5
69.98322	5.0
71.04980	2.0
71.08611	1.0
79.05490	32.3
79.05956	1.6
79.66696	0.9
80.67524	0.9
81.02971	1.2
81.03417	14.7
81.07053	41.5
83.04980	4.0
83.08617	3.2
85.06528	1.8
91.05478	23.2
93.07043	36.7
95.01323	4.6
95.04957	10.1
95.08598	30.0
97.06538	2.1
97.10163	1.3
99.08096	1.7
103.05479	1.1
105.07018	12.0
107.04958	17.8
107.08591	14.9
109.06521	4.1
109.10166	5.6
111.08082	3.6
113.05959	1.1
114.69408	0.8
115.05443	1.2
117.07014	8.7
119.04886	1.1
119.07280	0.8
119.08569	7.1
121.06512	5.1
121.10139	11.3
123.04444	2.2
123.08066	7.3
123.11661	1.9
129.07085	0.9
131.08557	11.2
133.06485	2.0
133.10124	7.4
135.08067	1.3
135.11685	15.9
140.67561	0.7
141.06989	3.6
143.08553	2.1
144.69780	0.8
145.06465	7.0
145.10132	7.6
147.11703	3.4
149.13225	9.2
154.07634	0.8
157.10167	1.2
159.08069	1.9
159.11684	13.5
161.13216	1.3
163.14841	1.0
169.10089	4.6
173.13292	2.2
175.14813	1.2
177.12730	7.6
187.11200	7.3
195.13734	5.3
201.16371	0.8
205.12280	4.1
214.14328	0.7
223.13333	2.7
241.14323	15.7
243.21172	3.1
261.22150	12.1
279.15900	100.0
289.21942	1.0
297.16943	6.1
313.27432	1.9
315.00742	0.8
317.24762	1.9
381.04578	0.9
428.25565	0.8
437.34473	1.2
465.33722	1.8
483.34726	3.5
529.38611	1.2
539.37360	14.0
557.38409	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03943	12.4
55.01868	3.8
55.05509	12.4
57.03442	1.1
57.07066	3.2
65.03946	2.0
67.05500	62.3
69.03428	1.9
69.07067	11.9
69.39586	8.6
71.04988	2.8
73.49579	0.8
73.88322	0.8
75.65079	1.1
77.03925	1.4
78.23904	0.9
79.05489	46.9
81.03416	22.9
81.07050	65.3
82.94418	0.9
83.04974	6.9
83.08622	7.3
85.06541	2.9
91.05473	29.3
91.48535	0.9
93.07036	61.2
95.01334	3.7
95.04961	17.1
95.08601	39.7
95.09234	1.3
97.06529	5.3
97.10144	1.4
103.05512	1.4
105.07024	20.8
107.04947	19.6
107.08587	23.9
109.06548	4.9
109.10151	8.8
111.08099	3.7
115.05450	1.1
117.07015	15.1
119.04950	1.9
119.08572	10.0
121.06496	6.0
121.10136	17.4
122.10359	0.9
123.04456	3.7
123.08051	15.0
123.11727	2.5
124.17725	1.1
128.06163	0.9
129.07018	3.0
131.04982	1.4
131.08569	18.6
133.06525	2.3
133.10120	11.5
135.08066	3.2
135.11685	24.4
141.06995	5.3
142.07803	1.1
143.08601	3.6
145.06448	11.3
145.10098	9.2
147.11679	5.8
149.09601	1.2
149.13235	10.5
155.08563	1.2
157.10158	1.8
159.08096	3.5
159.11671	18.4
161.13297	2.8
163.11192	1.3
163.14874	2.1
169.10143	7.4
171.11632	1.4
173.13226	5.1
174.58592	1.1
175.14803	1.6
177.12729	10.8
185.13411	1.0
187.11194	12.9
187.14835	1.8
195.12045	1.5
195.13779	7.7
205.12180	4.5
221.15233	1.1
223.13367	4.1
241.14333	23.1
243.21121	3.0
261.22125	15.6
279.15894	100.0
297.16943	7.6
313.27594	1.1
317.24918	2.9
401.28546	1.3
429.31006	1.5
437.34030	1.1
447.32214	1.3
465.33545	2.7
483.34897	4.7
529.38947	3.2
539.37244	16.7
557.38403	70.3
567.37842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
55.01827	3.0
55.05507	8.2
57.03413	1.5
57.07050	1.5
65.03885	2.3
67.05496	44.9
69.03397	2.0
69.07057	6.0
69.60129	5.5
71.04940	2.0
79.05484	33.1
81.03407	18.2
81.07048	47.8
83.04977	4.4
83.08607	4.2
85.06506	1.5
88.31698	0.7
91.05466	22.3
93.07034	39.0
95.01323	3.6
95.04964	13.7
95.08598	28.5
97.06492	3.8
97.10118	0.9
103.05455	0.6
105.04475	0.8
105.06392	1.0
105.07018	15.6
107.04944	17.0
107.07873	0.9
107.08581	16.6
109.06520	3.6
109.09540	0.7
109.10131	6.8
111.08014	2.3
115.05451	1.5
117.07006	11.5
119.04903	2.1
119.08567	8.3
121.06488	4.5
121.09323	1.0
121.10136	13.4
122.72269	0.6
123.04372	2.4
123.07294	0.7
123.08061	8.5
123.11652	1.5
128.06207	0.8
129.06953	1.7
131.04907	0.9
131.08551	11.6
133.06450	2.1
133.10109	8.3
135.08008	2.0
135.10683	0.8
135.11682	16.9
141.06989	4.4
142.44696	0.6
143.08478	2.2
145.06458	9.0
145.10089	6.6
147.11644	3.0
149.13239	8.4
157.10123	1.7
159.07980	2.2
159.11682	16.7
161.09546	0.7
161.13208	2.2
163.11215	0.7
163.14763	1.6
169.10074	4.6
171.11636	1.4
173.13222	3.0
177.12759	6.5
185.13281	0.9
187.11168	10.0
187.14752	1.4
195.13782	4.8
201.16432	0.9
205.12193	2.5
223.13249	2.9
233.22568	1.0
241.14325	16.3
243.21042	2.5
261.22122	13.4
279.15887	100.0
280.16312	0.7
287.19958	0.7
297.16904	6.6
317.24606	1.6
437.34198	1.0
465.33536	1.5
483.34747	3.6
529.38861	2.4
539.37213	14.4
557.38367	41.2
557.53101	1.4
558.38812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03732	1.5
53.03945	13.6
53.20800	1.3
54.12850	1.4
55.01866	4.9
55.05511	15.3
57.03428	2.1
57.07064	1.5
65.03938	4.7
67.05502	77.9
69.03424	6.9
69.07064	16.3
69.97270	4.8
69.97671	3.3
71.04988	2.5
79.05491	58.3
79.05956	3.1
81.03414	24.3
81.07050	90.7
83.04982	9.8
83.08626	7.2
85.06538	2.3
91.05479	43.6
91.70882	1.3
93.07040	74.9
95.01327	3.5
95.04964	22.6
95.08598	59.0
97.06535	4.2
97.10165	2.5
98.20833	1.8
105.04531	1.9
105.07027	32.2
107.04949	28.7
107.08592	39.1
109.02863	1.6
109.06531	6.8
109.10165	14.9
111.04371	2.3
111.08077	5.0
113.05982	1.7
115.05441	3.1
117.07021	19.4
119.08568	20.0
121.06507	7.1
121.10143	23.8
123.04413	4.2
123.08060	19.5
123.11702	3.7
127.03868	1.6
128.06207	3.0
129.06998	3.7
131.08554	26.9
133.06514	5.3
133.10117	19.5
135.08060	3.1
135.11682	30.3
137.09627	1.9
141.06995	5.1
143.08527	5.4
145.06488	12.7
145.10110	17.4
147.11682	6.4
149.09631	2.8
149.13252	13.0
154.07745	2.7
155.08565	3.2
157.10159	6.0
159.08052	3.9
159.11685	24.1
161.09656	2.0
161.13269	6.2
163.11218	3.2
163.14818	3.4
169.10202	8.6
171.11667	3.6
173.13255	6.5
175.14818	3.3
177.12758	13.3
181.10199	2.1
183.11714	3.3
187.11198	15.2
187.14824	5.3
195.11908	1.6
195.13817	8.6
197.13290	2.0
199.14810	3.0
201.12653	1.8
203.66092	1.9
205.12321	4.7
211.14799	3.0
223.13316	6.2
241.14313	27.5
243.21095	6.4
261.14581	3.3
261.22107	18.8
279.15903	100.0
292.01816	1.7
297.16962	8.0
317.24863	5.9
395.32895	1.9
447.32620	2.5
465.33380	2.6
483.34750	6.0
521.36243	3.1
529.38733	4.9
539.37256	21.0
557.38379	92.8
558.38239	2.1
559.47107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01866	9.3
55.05511	14.0
57.03435	8.2
57.07072	5.8
57.45681	2.1
61.02924	7.6
67.05505	21.1
68.99778	3.0
69.03424	52.2
69.07066	28.9
70.13016	10.8
71.04980	10.6
71.08616	2.8
73.02905	6.4
79.05486	14.7
81.03413	32.2
81.07050	53.6
83.04972	16.2
83.08613	14.0
85.02901	100.0
85.06536	4.3
87.00827	49.1
87.04442	3.3
91.05485	11.4
93.07040	24.8
95.04964	11.1
95.08598	59.3
97.02888	36.5
97.06543	4.5
97.10155	6.6
99.04463	10.2
99.08086	2.0
105.01863	59.7
105.07024	15.6
107.04943	5.9
107.08577	22.5
109.02868	28.1
109.06504	5.1
109.10153	36.5
111.04427	5.2
111.08068	5.9
111.11712	5.6
115.03927	9.3
119.08572	13.1
121.06541	4.3
121.10155	16.3
123.04427	3.4
123.08072	4.2
123.11699	21.4
125.02336	1.9
125.13211	3.5
127.03907	60.0
129.01855	3.5
129.07037	2.6
131.08562	5.9
133.10109	10.4
135.04417	2.6
135.08070	3.2
135.11670	16.7
137.05989	6.1
137.09592	3.4
137.13232	13.3
139.03824	3.7
139.11172	3.4
139.83916	1.8
143.08524	5.3
145.04932	23.3
145.10121	8.8
147.08055	1.8
147.11659	7.5
149.13248	16.9
151.14807	5.3
153.05470	2.3
153.12744	4.8
157.10173	3.3
159.02919	9.0
159.08081	3.3
159.11684	8.1
159.73206	1.8
161.04420	2.3
161.13255	8.3
163.11140	3.7
163.14853	8.6
164.85976	2.0
165.12711	2.4
169.10046	3.4
171.11635	3.1
173.09619	5.6
173.13275	4.1
175.14877	7.3
176.18123	2.0
177.16373	4.9
183.11613	2.8
187.11172	3.4
189.16261	2.4
201.03990	7.6
203.17903	2.2
219.05074	5.2
223.20789	2.3
231.04970	16.0
239.09012	2.2
241.71768	2.2
247.04485	11.0
249.06279	2.4
269.08011	2.4
273.25671	6.1
291.26822	38.8
292.99796	2.3
301.25357	2.7
307.26306	3.7
309.27838	7.6
331.26126	2.3
357.27963	3.0
381.28006	3.7
387.28677	3.1
399.28799	9.6
417.29770	3.3
503.29919	4.5
521.30896	3.7
529.06244	5.3
529.18433	2.7
540.59894	2.4
557.15179	3.2
557.25677	4.5
557.32587	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	557.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
55.01878	10.7
55.05511	18.0
57.03426	8.6
57.07076	11.4
61.02912	6.0
67.05507	39.0
68.99784	4.9
69.03071	3.7
69.03423	56.0
69.07060	47.1
69.41466	21.9
71.04983	9.1
71.08617	6.7
73.02898	5.6
79.05493	23.9
81.03416	41.8
81.06567	4.7
81.07049	80.8
83.04990	4.0
83.08607	20.2
84.90907	2.0
85.02899	76.2
85.06548	2.7
85.10148	3.3
87.00816	40.6
87.04450	2.8
91.05475	21.5
93.07028	44.1
95.04977	18.3
95.08600	100.0
95.97098	1.9
97.02882	32.7
97.06547	3.8
97.10162	14.0
99.04432	14.4
99.28460	2.1
105.01853	38.3
105.07011	29.6
107.04928	8.7
107.08590	41.5
109.02869	29.5
109.06458	10.8
109.10151	59.8
111.04424	9.5
111.08045	3.8
111.11720	5.8
115.03939	10.5
117.07011	6.7
119.08581	25.8
121.06483	5.9
121.10129	30.4
123.04396	5.4
123.08067	4.8
123.11704	24.0
125.09560	3.0
125.13277	2.5
127.03909	52.6
129.01842	4.3
131.08575	9.0
133.10095	18.4
135.08003	3.9
135.11703	21.1
137.05963	4.3
137.09586	9.8
137.13240	9.9
143.08546	5.4
145.04948	17.0
145.10112	10.0
147.08078	5.1
147.11665	21.4
149.13248	22.7
151.11197	3.6
151.14851	3.7
155.10670	2.4
157.10097	6.0
159.02867	8.7
159.07997	3.9
159.11681	8.6
161.04475	4.7
161.09583	7.5
161.13248	14.0
163.11203	3.1
163.14798	12.1
165.12778	4.2
171.11694	3.7
173.09698	2.3
173.13269	4.4
175.14819	7.8
177.16365	6.0
179.17967	2.8
183.11804	2.4
183.13638	2.2
185.13210	2.4
187.11064	2.8
189.03920	2.4
189.16399	5.5
191.17932	4.5
201.03923	6.7
201.16403	2.9
203.17934	4.8
213.03893	2.7
217.19516	6.4
219.04988	5.2
227.14267	2.8
227.17836	2.7
231.04919	11.0
233.22737	3.5
247.04546	9.5
247.24165	3.9
253.05003	4.0
271.05984	2.6
273.25726	23.1
291.26740	21.2
299.09305	2.4
309.27881	25.7
331.26315	3.8
333.27896	5.8
341.97885	2.6
349.27206	4.6
369.27777	2.7
375.29016	3.2
381.27991	7.3
385.07080	2.3
387.28772	4.8
399.28915	37.5
417.30139	15.1
435.31372	4.6
503.29874	10.0
521.30896	6.8
539.13025	3.4
557.14636	3.2
557.29364	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	557.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
53.03941	8.9
55.01857	5.0
55.05503	19.8
57.03436	7.0
57.07080	7.8
61.02908	2.9
65.03938	2.1
67.05501	43.1
67.81467	1.7
68.99794	3.7
69.03423	52.6
69.07060	47.8
70.92402	3.7
70.92729	1.5
71.05000	11.4
71.08624	4.5
73.02892	3.6
79.05489	24.0
81.03415	49.1
81.07053	100.0
83.04976	6.0
83.08612	21.4
85.02898	65.7
85.03431	2.7
85.06508	4.2
87.00826	17.7
87.04468	2.1
91.05474	17.8
93.07044	40.5
95.04969	13.1
95.08601	91.1
97.02884	30.7
97.06513	4.9
97.10166	16.3
99.04444	16.7
103.03913	2.1
103.05484	1.8
105.01862	12.6
105.07021	21.0
107.04971	9.5
107.08586	35.9
109.02872	31.5
109.06503	6.3
109.10146	63.5
109.59943	1.5
111.04414	6.3
111.08077	3.2
111.11694	9.8
113.09656	1.4
115.03941	3.8
117.07002	3.6
118.97915	1.4
119.08569	16.6
121.06493	5.5
121.10134	28.4
123.04417	8.0
123.08044	4.0
123.11697	30.7
125.05991	1.9
125.09589	2.4
125.13245	3.2
127.03909	63.3
129.01828	2.2
129.07002	3.7
131.08545	7.3
133.06476	2.1
133.10112	12.9
135.08076	3.2
135.11690	25.2
137.05952	2.7
137.09584	2.8
137.13235	11.0
143.08554	4.4
145.04938	11.3
145.06458	2.2
145.10138	9.1
147.08084	3.1
147.11659	14.1
149.05966	2.1
149.09598	2.3
149.13249	24.7
151.07416	1.9
151.11180	1.7
151.14778	5.0
155.08591	2.2
157.10040	3.6
159.02882	4.4
159.08058	4.3
159.11674	9.1
161.05881	1.7
161.09555	2.2
161.13268	7.5
163.07587	2.3
163.11212	2.5
163.14818	13.4
165.12776	1.5
165.16434	2.9
169.10106	2.4
171.11682	2.3
173.04526	1.7
173.09581	2.9
173.13234	3.3
175.11171	2.1
175.14806	5.7
177.09180	1.7
177.16388	8.3
179.17915	1.8
187.06021	6.0
187.11145	1.6
187.14873	1.8
189.16347	4.3
191.17944	4.0
193.19577	2.0
197.13261	2.5
201.03880	2.9
203.17857	2.7
213.03955	5.4
213.16339	1.4
215.18025	1.8
217.19576	4.2
229.19525	1.8
231.04999	22.2
243.17183	1.9
247.24225	2.5
249.05954	7.7
273.25720	12.6
291.26764	8.5
309.27899	10.9
319.26306	4.4
328.69821	1.5
381.27856	4.6
387.28964	3.4
399.29111	9.2
405.30124	2.3
409.78848	1.6
417.30142	13.1
435.30811	3.0
437.26111	1.7
485.28876	2.6
495.32678	2.0
503.29831	9.2
521.30896	8.2
539.12482	1.7
539.32471	2.2
557.29553	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	557.2932
Annotation	Forskoditerpenoside C
Peak:m/z	Relative Intensity
55.05470	0.6
67.05463	0.9
67.54398	0.4
69.03393	1.2
69.07033	0.9
79.05490	1.0
81.07051	2.6
83.04920	0.9
84.08134	4.5
85.02858	1.9
85.06522	0.6
91.05453	1.2
93.06982	1.9
95.04929	1.5
95.08553	1.9
97.02829	0.9
97.06483	1.0
105.07014	2.9
107.04920	0.8
107.08581	1.2
109.02828	0.4
109.06448	0.5
109.10092	0.9
111.08067	0.6
119.04950	0.6
121.06438	0.8
121.10112	1.0
122.03599	0.6
123.04415	0.5
123.11679	1.1
125.05962	0.7
127.03941	0.9
131.04897	1.2
131.05882	0.5
131.08591	0.6
133.06418	0.4
133.10060	1.0
135.07898	0.5
135.11633	0.5
137.05003	0.5
137.05972	6.6
137.13194	0.5
143.08566	0.5
145.10036	1.6
147.11668	0.9
149.13155	0.5
151.03790	0.7
151.07545	0.7
159.11665	1.1
161.05896	0.9
161.09485	0.5
161.93048	0.5
163.07426	0.5
163.11124	1.7
167.07062	1.3
173.09546	0.9
175.07625	0.7
187.11102	0.7
201.73828	0.5
205.12332	0.5
215.10545	0.7
219.09886	0.8
233.11722	0.9
255.06299	0.6
303.22897	9.2
333.23969	63.1
334.24326	1.4
335.21872	2.1
347.22028	0.9
365.23035	1.4
377.16122	0.7
377.22910	2.4
395.24026	73.8
395.28528	2.9
396.24127	0.9
495.29285	1.7
515.25110	0.7
527.28143	0.6
557.29303	100.0
558.29309	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.07073	0.5
57.77731	0.3
61.29943	0.3
68.99772	1.0
69.46275	0.7
69.46682	2.1
79.05489	0.6
81.03414	0.5
81.07032	0.4
85.10128	0.3
91.05437	0.4
95.04948	0.7
105.07000	0.7
107.04947	1.0
107.08595	0.4
109.10143	0.3
115.05458	0.5
117.07000	0.7
119.04922	0.5
121.02857	0.3
123.04424	1.1
128.06201	0.4
129.07033	0.6
130.07758	0.4
131.31624	0.3
133.06494	1.1
137.02333	1.0
137.05959	0.9
140.06209	0.6
141.06981	0.6
144.05687	0.5
145.06448	0.7
147.04405	0.8
149.02335	0.4
151.03877	0.8
152.04782	0.3
155.04951	0.4
157.06496	0.8
158.07280	0.7
161.05968	1.3
161.76056	0.3
163.03883	1.1
167.06961	0.8
168.05707	3.5
169.06427	1.2
171.04387	0.8
172.05247	0.4
173.05934	0.5
178.06253	1.6
181.01334	0.5
181.06306	0.3
183.04413	0.6
184.05202	0.7
185.05997	2.5
186.06729	2.0
187.03902	0.6
187.07556	0.4
193.08609	1.9
195.08139	0.4
196.05173	2.5
197.05983	2.0
198.06758	1.0
199.03857	0.4
200.04652	1.3
201.05457	3.2
202.06219	2.5
212.04608	0.4
213.05441	6.9
214.06219	6.1
215.03427	0.4
215.07028	1.2
220.03751	0.3
224.04678	4.0
225.05473	2.3
227.03400	0.8
228.04120	1.2
229.04915	2.5
241.04936	2.4
242.05728	8.2
242.08211	0.4
243.06454	1.4
251.07022	1.2
252.04121	1.9
253.04933	3.9
254.05598	0.4
255.02858	0.5
255.06454	2.1
256.07391	0.6
257.04425	3.3
257.07278	0.4
257.07849	0.3
269.04419	2.0
269.07928	0.3
270.05173	7.6
270.07874	0.5
271.05975	3.3
271.09033	0.3
271.09991	0.3
279.06451	1.8
282.26120	0.5
283.26199	0.6
285.07559	100.0
286.08090	2.1
287.09067	0.4
301.10678	0.3
321.07321	0.4
363.08740	1.6
364.09445	0.4
377.10196	0.5
389.10461	0.4
403.11890	2.3
433.12872	1.6
527.13062	0.7
539.33759	0.3
556.52979	0.6
557.18274	5.6
557.34418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41642	2.3
50.72590	2.6
53.36742	2.3
53.41540	2.4
53.55123	2.5
56.96555	6.3
57.03404	3.0
69.03415	5.8
69.64465	9.0
69.64901	10.6
73.02899	6.8
76.33816	2.5
82.99862	3.6
85.02897	13.8
87.41117	2.7
97.02902	5.3
98.97598	9.4
101.00903	7.6
107.38807	2.9
115.02451	2.6
116.98605	8.8
119.01905	60.8
127.03928	3.3
128.98631	5.8
131.01889	23.2
133.03510	4.1
134.20821	2.6
134.99730	5.0
137.02960	22.4
143.01889	23.2
144.11124	3.0
145.03474	51.1
146.99622	7.1
147.05092	4.1
149.01160	3.8
149.02948	9.7
149.05962	2.7
155.01884	19.5
157.03476	12.2
158.99689	4.2
159.05058	22.0
161.02951	49.5
163.04503	20.0
165.00706	2.4
167.02039	4.3
168.04994	3.0
169.03453	36.5
170.99615	6.0
171.01183	3.1
171.05061	10.8
173.02960	41.0
175.04532	6.0
177.00777	4.2
177.02814	3.0
177.05492	8.4
179.01987	4.7
181.03362	5.7
183.05078	2.8
184.04576	3.6
185.02959	59.9
187.04506	100.0
189.00726	14.8
189.02472	16.2
189.06033	5.4
191.03958	3.9
196.04628	2.9
197.02948	16.1
199.04544	19.3
203.04041	21.4
205.05428	2.9
207.01776	6.3
207.62598	3.3
210.06110	3.8
211.04596	12.6
213.02376	14.0
213.06104	3.4
215.03978	16.8
217.05661	5.4
221.05124	8.1
223.04581	4.2
225.02530	7.1
227.04057	7.6
229.05542	5.4
231.01598	4.2
231.03494	32.2
233.05135	4.3
237.02769	6.3
240.02046	2.8
243.03441	5.1
245.05074	89.4
249.02664	5.9
257.01428	5.2
257.05029	5.4
261.02820	4.3
261.08316	4.2
263.06061	11.8
267.03711	2.8
271.06683	13.3
273.04404	4.2
275.02478	45.4
275.06076	11.2
279.03687	2.9
287.02444	17.5
291.03851	10.1
293.03503	24.1
293.06879	5.6
305.03516	19.5
305.07239	7.2
309.04910	3.1
311.04553	4.1
315.05646	4.2
332.08707	3.8
332.58740	8.4
335.04608	23.1
335.08234	4.8
351.11365	5.5
359.04593	15.9
365.09122	7.2
369.07294	3.5
377.05612	47.7
395.06665	71.7
437.06091	9.6
539.11011	8.2
557.11914	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49040	1.6
55.01852	3.8
56.96292	1.4
56.96557	21.7
57.03438	14.8
61.02934	12.8
67.05490	2.4
69.03425	37.4
69.73328	7.9
70.06575	1.8
71.04963	3.8
71.05300	1.4
73.02911	22.3
77.00857	2.7
81.03420	9.9
81.07066	2.5
81.47108	1.5
82.99825	3.0
83.04945	1.5
84.22605	1.4
84.96003	4.9
85.02898	64.0
86.03207	3.0
87.04436	6.4
89.03883	2.0
91.03900	3.5
91.05468	3.3
97.02897	28.9
98.03197	1.7
98.97576	41.7
99.04414	5.7
100.42352	1.4
101.00857	8.4
101.02341	2.4
103.02424	2.5
105.06965	2.8
107.04902	2.4
107.08546	2.2
109.02888	7.7
110.97539	6.2
112.62238	1.5
112.99088	4.6
113.00874	3.1
115.02431	1.7
115.03866	5.2
116.07030	1.5
116.97832	2.8
116.98611	40.3
117.03319	3.6
119.00130	2.8
119.01904	53.4
119.04890	1.7
121.01607	1.8
121.03504	2.2
121.10126	1.8
127.02393	3.7
127.03912	23.8
128.02264	2.1
128.04242	1.9
128.07085	1.8
128.98586	19.5
129.04005	2.0
131.00212	11.8
131.01895	24.1
133.03439	8.0
133.04904	2.9
134.99651	20.8
137.02080	1.9
137.02943	16.6
137.05934	7.7
141.03938	2.0
143.00128	5.1
143.01869	25.7
145.03389	38.5
145.04889	15.4
146.02222	2.3
146.03270	2.0
146.98616	2.0
146.99649	23.1
147.01357	3.1
147.03178	2.0
147.04330	3.4
149.01212	15.6
149.02937	7.5
151.04509	2.9
153.00616	3.2
155.01865	25.2
155.55066	1.5
156.03551	4.7
157.01627	2.4
157.02289	1.5
157.03441	16.1
158.99658	16.2
159.05014	17.6
161.01175	11.7
161.02892	56.1
162.03384	1.6
162.99075	3.5
163.02696	4.6
163.04562	18.6
164.02182	1.7
165.00653	4.8
165.02185	1.7
166.01401	1.5
167.01959	9.0
167.06982	6.3
168.04990	2.4
169.03432	30.4
170.99663	14.4
171.01143	3.2
171.05045	12.4
173.01175	10.5
173.02885	50.9
173.04419	2.0
174.99081	3.0
175.02730	4.4
175.04434	11.6
177.00697	21.5
177.02225	3.0
177.04068	2.9
177.05417	17.4
178.04759	3.2
179.02019	5.6
179.03848	2.5
181.03459	7.7
182.03233	3.3
183.04997	4.5
184.04597	4.2
185.01375	2.7
185.02928	58.0
186.04485	3.8
186.99123	2.6
187.04509	77.2
188.02379	1.8
189.00626	36.6
189.02382	12.0
189.04257	4.6
189.06021	5.2
191.02173	12.6
191.03876	10.6
192.04582	4.7
193.00125	4.7
193.03731	3.2
195.01588	2.9
196.04515	3.4
197.02939	20.8
198.04562	2.1
199.02901	2.1
199.04524	15.1
200.04391	3.9
200.54605	2.1
201.00615	11.0
201.02377	3.5
201.04269	2.4
201.05997	5.7
203.02185	4.1
203.03983	23.3
205.00179	2.3
205.05536	2.9
207.01872	9.0
207.03415	2.9
207.05090	5.5
207.55275	2.7
208.04454	3.1
209.03088	1.8
210.06078	5.3
211.04565	15.0
213.02367	10.3
213.04086	2.6
213.06042	3.3
215.00461	1.8
215.02095	2.8
215.04041	16.0
215.07446	2.0
215.10159	3.4
217.03706	1.7
217.05521	6.6
219.01738	25.7
219.07156	3.6
220.02069	2.2
221.03096	3.7
221.05005	8.4
223.00984	3.1
223.04541	3.3
224.06052	2.5
224.56245	1.8
225.02325	4.8
226.05388	1.7
227.04056	12.1
227.56573	2.0
228.05829	8.2
228.55898	3.4
229.05696	7.6
231.01654	6.4
231.03619	26.9
231.06970	2.7
233.03178	5.2
233.05011	5.1
235.06619	2.0
237.02800	38.4
237.06320	2.5
239.04021	4.0
243.01503	2.8
243.03575	3.7
244.06657	1.6
245.05080	100.0
246.05135	3.2
247.04692	2.4
249.02713	14.2
251.04305	6.2
254.05234	2.2
255.03673	5.2
257.01279	4.4
257.04962	5.3
259.06747	2.2
260.04272	2.1
261.02649	10.3
261.08203	2.0
263.06311	13.5
264.07443	2.5
266.06369	2.9
267.03638	5.1
267.07022	2.5
269.05389	9.5
271.06638	13.2
272.06540	3.3
273.08051	4.4
275.02335	44.6
275.05936	17.4
275.53616	1.6
277.07776	2.6
279.03702	11.5
279.06815	2.9
280.06921	3.0
281.07300	12.1
281.57111	5.1
282.06827	2.3
287.02356	14.9
287.05997	3.2
288.07642	6.6
288.57913	2.7
289.07440	7.0
291.03754	14.9
293.03387	18.5
293.07007	5.4
296.08835	4.2
297.07977	1.9
298.08063	10.1
298.58243	2.5
304.59634	2.2
305.03372	17.2
305.07135	9.3
305.13205	3.8
305.63538	2.1
309.04849	7.1
309.08127	1.9
315.05557	5.1
316.04980	2.9
317.07123	2.3
321.04858	3.6
321.10315	12.1
323.10092	2.5
333.06219	3.4
335.04413	21.2
335.08136	7.7
337.07742	3.5
341.03378	5.0
347.06024	2.8
351.06003	3.0
351.11652	7.6
353.07465	2.1
354.09711	2.2
355.09219	5.1
359.04428	15.4
362.09811	4.4
362.60394	2.2
365.09497	13.2
369.10107	2.8
377.05566	44.6
379.10593	5.6
383.08328	6.2
385.11679	3.8
385.61841	11.8
386.11676	10.3
395.06674	69.3
400.12195	2.9
400.61844	1.9
401.11407	3.3
401.15485	6.6
401.66058	2.6
405.03140	4.7
407.04611	5.5
413.09393	7.1
423.11392	2.0
425.10767	2.1
437.05563	29.0
437.10013	3.7
441.08963	2.0
467.08008	2.1
478.08728	2.0
495.13739	4.4
497.12985	4.6
521.09601	1.8
539.11816	16.9
543.09491	2.0
557.11725	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	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.9
55.05510	25.8
57.03431	12.0
57.07076	13.4
60.17670	1.6
67.05504	21.0
69.06713	2.7
69.07063	32.5
69.29842	7.4
69.30273	12.2
71.08620	7.3
74.41672	1.5
79.05492	11.0
81.07056	59.0
83.04960	5.1
83.08625	27.3
85.06531	3.5
85.10186	2.3
91.05492	12.3
93.07027	7.4
95.08601	15.6
97.06532	5.8
97.10178	14.9
99.08094	4.0
105.07026	22.5
107.08566	8.1
109.06484	2.2
109.10145	2.6
111.11729	5.5
119.08580	16.9
121.10162	12.8
123.08058	2.9
123.11713	16.3
133.10088	2.0
135.11665	3.2
137.13309	2.0
147.11690	38.8
165.12755	16.9
183.76439	1.8
229.14366	5.0
232.84076	1.8
267.13031	1.9
267.15912	55.8
285.16943	56.8
311.25803	100.0
371.22989	2.4
455.74936	2.0
521.38440	60.3
526.52692	2.0
556.52740	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	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82385	0.3
53.03939	0.6
55.01854	0.5
55.05513	0.6
56.96555	0.5
57.03434	7.4
57.07058	0.5
59.05013	0.3
61.02928	2.6
62.25478	0.3
65.03938	1.8
67.05495	0.6
69.03070	0.5
69.03424	8.3
69.07068	1.1
69.78269	1.9
71.01348	1.0
71.04983	0.3
72.90943	0.3
73.02913	15.0
79.05487	0.6
81.03410	1.3
81.07048	2.3
82.07368	0.3
83.04940	0.3
83.08616	0.6
85.02901	10.8
85.06516	0.3
87.04479	0.4
90.87096	0.3
91.05476	100.0
92.05803	0.5
93.07049	0.7
95.04974	0.5
95.08603	1.1
96.08954	0.5
97.02883	13.7
98.20820	0.4
99.04442	0.8
103.03950	0.3
105.07040	0.6
107.08600	1.0
109.02875	1.3
109.06495	0.4
109.10162	1.1
110.10509	0.5
115.03926	11.3
119.08592	0.4
121.10165	0.7
123.11669	0.5
127.03907	4.6
131.79549	0.3
132.08112	0.4
133.04967	2.9
133.10139	0.7
135.08124	0.3
135.11688	0.5
137.05994	0.6
137.13272	0.4
145.04947	3.7
147.11685	0.3
163.06024	1.0
167.03403	1.2
167.07024	0.5
193.04994	0.3
211.47382	0.3
223.06123	1.0
227.06941	0.4
241.07170	1.2
245.08084	8.7
257.14215	0.4
259.08063	0.7
269.14240	0.4
278.13956	0.3
287.15424	0.5
295.10416	0.3
299.05197	0.9
303.23090	0.4
321.24283	0.9
322.24622	1.0
323.24738	1.0
332.24603	0.9
339.25366	0.9
340.25732	1.0
341.25937	0.8
359.26978	0.5
363.24884	0.4
394.24557	0.5
405.09464	0.7
406.09790	1.6
413.22040	0.6
436.11066	1.3
460.11130	0.7
472.11017	0.5
490.12357	0.7
502.12000	0.5
520.13123	0.6
538.14026	0.8
556.23938	0.5
582.67828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.2
55.01860	4.2
55.05528	21.2
57.03431	12.1
57.07077	36.3
58.95740	3.2
67.05504	54.2
69.03423	18.0
69.07066	19.5
70.12978	11.3
70.13380	7.2
71.04981	7.3
71.08630	21.5
77.20320	3.7
79.05482	50.5
81.03411	37.2
81.07054	56.9
83.04959	7.6
83.08615	17.0
85.02914	9.6
85.10184	16.6
89.57808	3.7
91.05465	55.5
93.07044	52.3
95.04974	11.5
95.08600	49.6
97.02882	7.5
97.10177	6.0
98.98457	72.9
105.07024	51.8
107.04958	14.6
107.08597	27.9
109.02882	8.0
109.10151	20.9
111.04443	3.7
111.11753	5.2
115.05450	4.9
117.07015	24.2
119.08577	38.9
121.06492	4.3
121.10156	27.0
123.08077	4.1
123.11659	5.5
125.09642	3.5
127.03877	3.7
128.06183	4.9
129.06998	15.4
131.08559	34.9
133.06487	15.7
133.10127	33.7
135.08063	4.4
135.11699	20.3
141.06982	5.1
142.07797	7.4
143.08511	19.4
145.06462	4.5
145.10139	29.1
147.11681	23.2
149.13217	8.1
155.01024	100.0
155.08574	7.6
157.10106	18.4
159.11725	23.2
161.13240	9.5
169.10091	10.8
171.08041	5.7
171.11676	16.4
173.02155	4.0
173.13280	16.5
181.10066	5.8
183.08022	4.8
183.11749	11.6
185.13269	15.3
195.11673	6.5
197.13300	6.4
199.11203	5.0
199.14825	5.4
220.18872	4.0
237.12827	4.6
239.23738	11.4
241.19482	8.6
254.06462	3.7
257.19055	9.2
259.20584	21.9
271.20544	5.8
275.20166	9.1
287.20050	6.6
289.21506	5.4
301.21747	19.0
313.21619	7.3
313.27307	65.5
317.06314	9.3
319.22543	5.3
339.23053	6.7
349.21652	6.3
357.24008	3.9
367.22507	22.6
385.23602	31.9
393.23853	7.4
401.29053	6.3
403.24869	27.8
421.25806	17.1
459.66077	4.6
555.28815	24.8
555.40698	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	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01868	6.0
55.05511	15.6
57.03433	4.2
57.07068	7.5
59.04994	2.7
61.02917	3.6
65.03928	2.5
67.05505	26.2
68.99791	2.8
69.03426	31.0
69.06712	3.3
69.07069	44.5
69.07448	2.2
71.01339	1.4
71.04991	12.0
71.60986	3.5
73.02911	4.3
79.05492	18.8
81.03419	28.5
81.07056	100.0
82.07382	1.7
83.04989	6.7
83.08626	17.3
83.26359	1.8
85.02904	34.0
85.06539	6.0
87.00835	9.0
91.05480	18.9
93.07043	48.1
95.04954	13.2
95.08607	69.6
97.02886	14.0
97.06535	7.7
97.10182	4.9
99.04448	14.5
99.08088	2.1
99.76773	1.7
100.11268	2.4
103.05453	2.3
105.01862	6.2
105.07040	24.6
107.04977	3.0
107.07868	2.2
107.08592	37.8
109.02882	20.6
109.06531	7.4
109.10158	41.6
110.99545	1.5
111.04433	2.8
111.08099	7.5
111.11744	4.7
115.03918	2.7
117.07018	3.5
119.08586	16.6
121.06511	5.1
121.10140	30.3
123.04430	4.3
123.08068	3.6
123.11707	24.5
125.06047	1.9
125.09648	1.8
127.03909	28.7
127.04786	2.3
127.11205	1.7
128.06204	1.9
129.07016	3.0
131.04930	2.6
131.08562	7.1
133.06528	1.8
133.10120	13.0
135.08029	3.0
135.11700	18.8
137.05969	12.0
137.09639	3.6
137.13278	15.1
139.11195	4.8
143.08589	3.8
145.04971	5.9
145.10143	12.7
147.08006	2.9
147.11682	13.2
149.09636	3.7
149.13254	13.5
151.03859	2.7
151.07541	2.4
151.11156	10.1
151.14708	2.3
153.12755	6.1
155.08551	2.6
157.10150	4.7
159.02902	4.0
159.08119	2.6
159.11749	9.7
161.13274	5.7
163.11205	5.7
163.14853	6.0
164.34570	1.6
165.09190	2.5
165.12740	5.2
167.07022	8.3
167.14337	1.8
169.12276	2.0
171.11685	2.4
173.13239	3.0
175.11282	2.1
175.14835	8.3
177.05536	1.7
177.09148	1.5
177.12819	2.4
177.16446	7.3
179.17912	1.7
180.14679	1.6
181.12251	2.1
187.06093	2.2
187.11250	2.6
187.14897	2.5
189.09123	3.1
189.16403	3.4
191.17986	2.9
201.16431	3.1
213.03922	19.2
213.16362	1.7
219.10133	1.9
231.04971	11.2
245.22722	1.9
261.25806	1.7
271.19101	3.7
271.24194	6.8
272.19397	5.3
277.24985	2.0
278.12878	1.8
289.25183	10.9
307.26266	15.8
339.12570	2.2
393.22336	11.4
415.28506	3.0
439.16513	1.6
501.28323	2.5
519.29431	7.3
537.30298	6.8
555.27789	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	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01868	6.0
55.05511	15.6
57.03433	4.2
57.07068	7.5
59.04994	2.7
61.02917	3.6
65.03928	2.5
67.05505	26.2
68.99791	2.8
69.03426	31.0
69.06712	3.3
69.07069	44.5
69.07448	2.2
71.01339	1.4
71.04991	12.0
71.60986	3.5
73.02911	4.3
79.05492	18.8
81.03419	28.5
81.07056	100.0
82.07382	1.7
83.04989	6.7
83.08626	17.3
83.26359	1.8
85.02904	34.0
85.06539	6.0
87.00835	9.0
91.05480	18.9
93.07043	48.1
95.04954	13.2
95.08607	69.6
97.02886	14.0
97.06535	7.7
97.10182	4.9
99.04448	14.5
99.08088	2.1
99.76773	1.7
100.11268	2.4
103.05453	2.3
105.01862	6.2
105.07040	24.6
107.04977	3.0
107.07868	2.2
107.08592	37.8
109.02882	20.6
109.06531	7.4
109.10158	41.6
110.99545	1.5
111.04433	2.8
111.08099	7.5
111.11744	4.7
115.03918	2.7
117.07018	3.5
119.08586	16.6
121.06511	5.1
121.10140	30.3
123.04430	4.3
123.08068	3.6
123.11707	24.5
125.06047	1.9
125.09648	1.8
127.03909	28.7
127.04786	2.3
127.11205	1.7
128.06204	1.9
129.07016	3.0
131.04930	2.6
131.08562	7.1
133.06528	1.8
133.10120	13.0
135.08029	3.0
135.11700	18.8
137.05969	12.0
137.09639	3.6
137.13278	15.1
139.11195	4.8
143.08589	3.8
145.04971	5.9
145.10143	12.7
147.08006	2.9
147.11682	13.2
149.09636	3.7
149.13254	13.5
151.03859	2.7
151.07541	2.4
151.11156	10.1
151.14708	2.3
153.12755	6.1
155.08551	2.6
157.10150	4.7
159.02902	4.0
159.08119	2.6
159.11749	9.7
161.13274	5.7
163.11205	5.7
163.14853	6.0
164.34570	1.6
165.09190	2.5
165.12740	5.2
167.07022	8.3
167.14337	1.8
169.12276	2.0
171.11685	2.4
173.13239	3.0
175.11282	2.1
175.14835	8.3
177.05536	1.7
177.09148	1.5
177.12819	2.4
177.16446	7.3
179.17912	1.7
180.14679	1.6
181.12251	2.1
187.06093	2.2
187.11250	2.6
187.14897	2.5
189.09123	3.1
189.16403	3.4
191.17986	2.9
201.16431	3.1
213.03922	19.2
213.16362	1.7
219.10133	1.9
231.04971	11.2
245.22722	1.9
261.25806	1.7
271.19101	3.7
271.24194	6.8
272.19397	5.3
277.24985	2.0
278.12878	1.8
289.25183	10.9
307.26266	15.8
339.12570	2.2
393.22336	11.4
415.28506	3.0
439.16513	1.6
501.28323	2.5
519.29431	7.3
537.30298	6.8
555.27789	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	555.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03930	3.6
55.01855	1.9
55.05514	8.6
56.96556	1.2
57.03430	3.4
57.07062	3.1
59.04980	5.8
61.02913	1.4
63.46302	1.0
67.05506	13.9
68.99782	1.4
69.03426	18.6
69.07066	24.8
71.04979	4.0
71.58620	2.3
73.02905	2.3
73.10016	1.2
74.65189	1.3
75.07617	1.4
79.05487	12.7
79.76978	1.1
81.03417	17.8
81.07054	43.4
83.04968	3.0
83.08626	6.0
83.60723	1.1
85.02426	1.5
85.02902	25.9
85.06538	2.7
87.00820	9.0
91.05478	8.7
93.07034	19.3
95.04961	7.8
95.08603	46.4
97.02888	9.2
97.06540	4.3
97.10180	3.1
99.04445	5.3
105.01850	6.4
105.07018	11.4
107.04953	6.9
107.08591	20.1
109.02882	11.8
109.06503	3.7
109.10155	21.1
110.35181	1.3
111.04426	1.7
111.08067	3.0
111.11718	3.5
115.03944	1.3
117.07024	3.2
119.08564	10.3
121.02873	1.7
121.06486	4.2
121.10149	14.6
123.04468	6.4
123.08066	2.8
123.11718	14.6
127.03907	20.0
129.01762	1.5
129.06999	1.5
131.08545	5.6
133.10130	8.8
135.08038	2.8
135.11697	15.6
137.05983	10.1
137.13255	20.7
139.11156	4.9
143.08554	1.6
145.04961	3.7
145.06441	2.3
145.10132	6.8
147.04341	2.6
147.07996	1.9
147.11647	6.9
149.13268	12.1
151.03868	2.6
151.11169	1.5
157.10103	3.5
159.02898	2.4
159.08049	1.6
159.11668	7.7
161.09550	2.5
161.13287	4.3
163.11145	1.4
163.14798	1.9
165.12802	1.8
171.11676	2.8
173.09650	4.1
173.13281	4.3
175.14786	3.5
177.12892	2.6
177.16415	2.7
181.10034	1.3
183.11761	1.6
185.13310	1.6
186.40692	1.3
187.06073	1.6
189.16348	2.1
191.47707	1.3
191.62772	1.4
201.16376	1.6
205.19528	2.1
213.03938	3.8
215.18013	2.4
217.19324	1.5
231.05032	3.3
255.06476	1.7
269.07922	1.8
271.05804	2.2
271.24191	4.6
283.05908	1.5
285.07480	1.8
289.25180	8.4
307.26306	4.9
315.06528	1.3
317.24655	1.3
331.26309	2.1
335.09436	9.6
345.07486	4.4
367.26147	1.5
373.07120	3.7
379.26349	2.0
397.27478	4.3
401.06503	1.7
413.15485	1.5
415.28354	8.3
417.09323	1.7
423.23627	4.1
458.93021	1.5
499.13312	1.9
501.28506	2.7
519.29449	4.8
527.13104	5.3
537.11633	9.6
537.30328	3.9
555.14111	18.6
555.27667	100.0
556.12726	1.6
556.28278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26545	0.9
53.03935	4.0
55.01852	4.7
55.05504	8.5
57.03430	2.8
57.07067	5.7
59.04987	1.1
67.05508	12.7
68.26678	1.1
68.27972	1.0
69.03427	13.4
69.07065	23.1
71.04979	3.2
71.08617	2.2
71.58503	1.3
76.80720	1.1
77.03897	1.2
79.05490	8.8
80.00591	1.1
81.03412	15.3
81.07052	29.2
83.04958	2.9
83.08617	11.6
85.02901	11.5
85.06513	2.4
87.00819	3.7
87.04446	1.7
91.05482	13.1
93.06467	2.2
93.07040	35.5
94.13554	1.1
95.04963	16.9
95.08605	25.4
97.02866	4.9
97.06501	3.2
97.10159	3.5
99.04436	3.4
99.08089	1.7
105.01865	1.7
105.07024	15.1
107.04966	6.8
107.08585	16.2
109.02889	7.2
109.06499	4.8
109.10159	13.2
111.04429	1.9
111.08064	6.4
111.11652	1.1
115.05446	1.9
117.06981	3.7
119.08591	11.4
121.02814	1.2
121.06481	5.6
121.10135	16.9
123.04431	9.4
123.08042	2.5
123.11712	10.1
125.09572	2.3
127.03901	9.4
128.06232	1.6
129.06958	3.0
131.04915	2.1
131.08543	6.0
133.06487	3.4
133.10121	8.3
135.04401	1.2
135.08060	3.0
135.11676	5.7
137.02260	1.0
137.05916	4.6
137.13239	3.3
139.03911	1.8
139.11127	1.9
141.06999	1.8
143.08534	4.0
145.06429	3.3
145.10110	8.8
147.04404	2.0
147.08026	2.4
147.11688	6.8
149.05916	1.7
149.09598	3.5
149.13242	10.1
151.03909	1.1
151.11153	2.4
151.14783	1.4
155.08607	1.4
157.10036	2.9
159.02803	1.5
159.08049	2.7
159.11676	8.4
161.05887	1.6
161.09602	2.7
161.13239	3.6
163.11125	2.1
165.12668	1.3
167.07030	1.3
167.14317	2.9
169.10052	1.8
171.11658	1.8
173.09633	1.9
173.13260	2.5
175.07506	1.4
175.11208	1.6
175.14899	2.2
177.12726	1.6
183.11771	2.0
185.13249	1.4
187.11176	1.3
187.14876	1.4
189.03955	1.3
189.16348	1.6
197.13182	1.2
201.09213	2.0
201.12799	1.5
201.16269	1.6
203.05257	2.0
209.19034	1.8
209.71297	1.2
213.12781	2.0
213.16370	1.2
215.14140	1.5
219.10162	1.3
231.04955	1.3
232.38741	1.0
243.06583	1.2
247.16989	1.2
269.04340	1.2
269.22763	1.1
271.24216	2.0
282.75778	1.1
285.07520	1.8
289.25299	3.9
299.09024	2.1
307.22876	2.3
307.26245	11.8
331.26190	1.4
335.09406	17.5
335.25565	2.2
379.26306	2.2
385.27136	1.8
397.27448	3.6
415.28363	9.0
423.23450	3.0
433.29324	1.6
501.28311	3.0
519.29486	5.9
537.30029	3.2
537.51105	1.1
555.15692	6.7
555.27570	100.0
556.27362	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.25320	0.3
58.28919	0.3
59.14691	0.3
59.16138	0.3
67.05486	0.9
69.03409	0.8
69.07051	0.4
71.61321	0.4
71.61697	0.3
73.02888	0.3
79.05470	0.5
79.22255	0.3
81.03407	0.7
81.07047	1.0
84.55910	0.3
85.02884	0.7
91.05479	0.7
93.07048	0.7
95.04935	0.5
95.08604	0.8
105.07019	0.7
107.04942	0.6
107.08540	0.4
109.10177	0.7
110.10497	0.3
111.61866	0.3
119.08554	0.7
121.02856	2.0
121.10189	0.3
123.04424	0.9
123.11695	0.3
127.03909	0.8
137.05977	0.6
147.04440	0.5
151.03877	0.6
173.02922	0.4
203.05264	0.9
242.05705	0.3
245.13403	0.3
253.04980	0.4
255.06523	0.6
267.06198	0.3
268.07465	0.4
269.04462	0.5
270.05145	0.7
271.06049	1.3
275.07376	0.9
284.68289	0.3
313.10788	0.4
331.22397	1.3
335.09451	19.4
373.06931	0.5
377.06555	0.6
390.16638	0.4
393.22598	1.1
401.06592	0.5
415.08218	0.4
423.23520	2.1
527.13202	0.4
537.11798	1.5
538.11871	0.4
555.13055	9.6
555.27698	100.0
556.13013	1.2
556.27960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83899	1.0
55.05499	3.5
57.03433	6.1
57.07072	26.4
58.51724	1.2
67.05496	9.9
69.07069	5.9
69.30962	8.3
69.31387	4.2
71.08276	1.8
71.08629	20.9
79.05484	2.1
81.03411	7.2
81.07041	14.3
83.08610	8.7
85.10188	8.7
93.07033	2.9
95.08602	20.7
97.10175	3.9
98.98459	72.6
109.02847	5.7
109.10169	8.4
116.99459	2.4
120.32003	1.3
123.11717	3.3
140.01085	1.6
147.11765	1.3
155.01033	100.0
162.08521	1.1
196.03723	2.3
239.23615	10.1
299.05124	1.4
313.27325	76.1
314.27737	2.5
317.06180	8.9
393.23975	7.9
401.28751	7.1
537.27802	3.0
555.28326	1.6
555.36652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1649
Annotation	Vestitol-(5'->2)-2'-hydroxyformononetin
Peak:m/z	Relative Intensity
67.05506	3.5
68.99790	2.7
71.60987	3.3
79.05499	5.4
81.07050	2.5
88.46383	1.9
95.04978	2.9
97.06515	2.4
105.07053	2.3
107.04948	14.3
119.04942	1.9
121.02840	4.1
123.04424	18.3
124.05197	3.9
126.33665	1.8
131.04939	2.3
134.03571	2.8
135.04390	3.9
137.02353	6.1
137.05974	13.8
139.07533	5.8
141.06961	3.3
147.04416	29.2
149.02341	3.5
151.03889	8.6
152.04736	3.3
153.05429	2.9
154.79916	1.7
157.06448	3.3
163.03928	2.4
167.07051	6.9
169.06525	4.4
184.05260	2.3
185.05969	2.9
187.07648	5.1
197.05997	6.4
199.07652	2.4
201.05618	2.0
210.06627	2.0
211.07501	4.5
213.05460	21.6
215.06982	12.2
221.06009	2.6
224.04694	2.7
237.05528	4.1
238.06252	2.7
239.07056	13.1
241.04910	19.6
243.06441	10.6
245.08154	2.5
250.06197	2.1
253.04994	14.4
254.05794	2.4
255.06514	21.9
256.07315	8.7
267.06573	6.2
269.08060	71.3
271.05997	43.4
271.09351	3.2
278.05728	3.0
283.06567	2.8
283.09552	10.1
284.06741	14.9
285.07516	22.3
299.09128	58.5
317.07947	2.5
341.07809	2.3
343.09717	4.5
345.07590	3.8
356.06747	2.3
359.09314	2.3
360.10077	3.1
371.09161	2.8
372.09964	2.6
373.06900	4.5
387.08301	2.3
389.10104	2.1
399.08234	3.0
400.09595	2.6
403.11673	8.5
415.07880	2.5
416.08932	11.1
421.12820	26.2
430.10577	3.6
431.11230	58.9
432.11542	2.0
445.12958	5.7
446.13754	2.8
454.11932	1.8
466.09857	2.2
527.17090	3.0
537.16040	2.1
555.16479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1285
Annotation	2,3-Dihydroochnaflavone 7-O-methyl ether
Peak:m/z	Relative Intensity
52.76815	0.3
52.97334	0.2
53.03941	0.3
55.01863	0.3
55.05504	0.5
60.38979	0.3
65.03931	0.7
67.05512	0.6
68.99781	0.5
69.03420	0.7
69.07054	0.7
70.37872	1.0
79.05492	0.5
81.03401	0.6
81.07050	1.2
83.04948	0.4
83.08603	0.5
85.02901	0.7
91.05471	0.6
93.07037	1.6
95.04967	0.8
95.08602	0.9
97.06468	0.3
105.07034	0.8
107.04950	0.8
107.08595	0.5
109.02831	0.5
109.06509	0.3
109.10130	0.6
111.04428	1.0
111.08059	0.3
119.04898	0.5
119.08572	0.5
121.02863	15.3
121.03835	0.5
121.10175	0.5
123.04450	0.8
123.11666	0.5
127.03901	0.7
127.88849	0.2
131.08508	0.4
133.10103	0.3
134.03593	0.3
137.02312	0.4
137.13097	0.3
140.73869	0.2
145.02895	0.3
147.04425	0.6
147.11633	0.3
151.03908	0.3
159.11696	0.3
163.03889	0.5
171.03085	0.3
171.04416	1.0
173.13301	0.3
183.08026	0.3
185.05998	0.3
197.06006	0.7
199.03926	0.3
203.05119	0.3
213.05405	0.7
215.03474	0.3
221.06044	0.3
224.04684	0.4
225.05328	0.5
227.03374	0.5
228.04182	0.5
229.04959	0.5
237.05478	0.3
241.04935	0.6
242.05717	1.1
243.06412	0.5
252.04195	0.4
253.04953	1.6
254.05794	0.3
255.02896	1.4
255.06474	0.7
257.04568	0.4
257.08069	0.6
261.05478	0.4
263.06796	0.3
265.05002	0.4
266.05637	0.3
267.06534	0.4
269.04434	3.9
269.07770	0.4
270.05215	6.6
271.05981	7.0
273.03925	0.6
274.06143	0.4
275.06955	0.4
277.04913	1.0
278.05807	0.6
279.03220	0.5
279.06525	0.6
281.04364	0.3
283.05905	1.5
284.03058	0.4
285.04068	0.5
285.07605	1.6
286.08200	1.4
287.06992	0.3
289.05087	0.5
290.05856	0.4
291.06494	0.5
293.00446	0.3
293.04456	0.7
294.05209	0.5
295.06046	0.8
297.03967	0.9
302.05807	0.4
303.06387	1.6
304.07245	0.5
305.04575	0.8
305.07925	0.4
306.05188	0.7
307.05954	0.7
307.26419	0.4
309.03931	1.1
315.06326	0.5
317.04489	0.3
318.05103	0.4
319.06119	1.0
320.06808	0.4
322.31433	0.3
327.06372	0.4
329.04324	0.4
331.05991	1.1
331.22433	1.0
332.06854	0.7
333.04010	0.6
333.07611	0.4
335.05502	1.1
335.09537	4.8
343.05960	0.4
345.03867	0.6
345.07645	1.0
347.05502	0.9
348.06183	1.3
349.07205	0.7
351.05008	0.8
357.07584	0.5
358.04636	1.4
359.05557	1.8
360.06198	0.7
361.03360	1.2
361.07242	0.5
363.05118	0.5
372.05939	0.3
373.07086	3.4
374.08148	0.5
375.04752	0.4
376.05875	1.1
377.01770	0.4
377.06540	6.6
378.07275	1.5
379.04535	0.9
385.07141	0.5
386.04089	0.4
387.05042	0.8
388.05618	0.6
389.06781	0.3
391.04645	0.8
393.06042	0.5
393.22488	0.8
395.09146	0.4
401.06470	4.3
402.07404	2.3
403.03897	0.5
403.08203	0.8
404.05161	3.1
405.06046	0.6
407.04092	0.3
411.08569	0.6
413.06363	0.7
415.08353	0.5
419.07474	2.0
420.08505	0.6
421.05472	1.3
422.06284	1.7
423.08539	0.5
423.23645	0.7
424.09048	0.5
425.10440	0.4
431.07806	0.8
441.10147	0.5
446.09860	1.0
449.10596	0.4
451.07974	0.6
453.09506	0.5
465.09821	0.4
469.09161	0.7
477.09833	0.8
479.07419	0.8
493.09027	0.8
494.09912	1.0
495.10373	0.5
497.08664	3.3
505.09308	0.6
507.07202	0.4
509.08801	0.6
511.10297	0.4
521.08740	0.3
522.09393	3.1
523.10175	1.0
524.11163	0.8
525.08118	2.4
527.13275	0.9
537.12469	0.3
539.09882	1.5
540.10498	3.4
555.12860	100.0
555.27020	28.3
556.12958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1284
Annotation	2'',3''-Dihydroisocryptomerin
Peak:m/z	Relative Intensity
65.03924	0.7
68.99784	0.6
71.32307	0.6
73.88084	0.2
93.07004	0.3
95.04963	0.4
95.08640	0.3
107.04935	0.6
111.04453	0.5
119.04926	0.6
119.16788	0.3
121.02858	16.5
123.04417	0.7
133.10037	0.3
134.03612	0.2
145.02843	0.3
147.04442	0.4
153.05373	0.2
163.03888	0.6
171.04419	1.3
185.06003	0.6
187.03943	0.3
197.05978	0.9
199.03757	0.3
200.04674	0.4
213.05450	1.1
224.04550	0.3
225.05502	0.6
226.06093	0.3
227.03415	0.4
228.04218	0.6
229.04926	0.5
239.03238	0.3
239.07072	0.3
241.04898	0.7
242.05673	1.4
243.06546	0.5
250.06187	0.4
253.04948	1.8
254.05641	0.4
255.02815	1.4
255.06609	0.6
257.04279	0.3
257.08047	0.5
261.05527	0.5
265.04996	0.3
266.05801	0.3
267.06549	0.4
269.04428	4.6
269.07199	0.4
270.05182	7.0
271.05994	7.6
273.03745	0.6
274.06238	0.7
275.07047	0.6
277.04996	1.0
278.05734	0.3
279.06595	0.5
283.03030	0.4
283.05847	1.7
284.03323	0.4
285.07544	0.9
286.08243	1.3
287.06952	0.6
289.04956	0.4
290.05661	0.6
291.06427	0.5
293.04486	0.7
295.05893	1.2
297.03833	0.6
299.09250	0.6
302.05789	0.3
303.06586	1.7
304.07220	0.4
305.04532	0.8
306.05234	0.6
307.06018	1.2
308.06906	0.4
309.03949	1.0
317.04602	0.5
317.08115	0.3
319.06119	0.7
320.06812	0.4
321.04047	0.3
321.07672	0.3
323.05362	0.3
327.06604	0.3
329.04385	0.6
330.05090	0.3
331.05963	1.6
332.06793	0.7
333.03888	0.8
333.07730	0.6
335.05511	1.0
336.06238	0.5
343.06009	0.4
345.07675	0.6
347.05658	0.7
348.06232	1.3
349.07022	0.8
351.05026	0.6
355.05939	0.4
356.06747	0.3
357.07581	0.5
358.04764	0.8
359.05432	1.6
360.06229	1.1
361.03421	1.5
361.07327	0.6
363.04965	0.8
373.07040	3.1
374.08008	0.6
375.04922	0.6
376.05692	1.5
377.06564	5.4
378.07202	1.4
379.04425	1.4
383.09476	0.3
386.04031	0.4
387.04956	0.8
388.06314	0.3
391.04437	1.0
401.06497	3.7
402.07452	2.2
403.03735	0.5
403.08215	1.1
404.05081	3.0
405.05981	0.6
413.06567	0.8
415.08154	0.6
418.07028	0.3
419.07861	1.6
420.08374	0.7
421.05380	1.4
422.06415	1.4
423.08807	0.6
424.09296	0.3
427.07825	0.4
430.06790	0.4
431.07571	1.3
433.12726	0.6
439.07904	0.3
441.09711	0.6
445.13022	0.5
446.09970	1.5
449.09940	0.5
451.08273	0.7
455.07526	0.5
463.08453	0.3
465.09369	0.4
469.09381	0.9
477.09583	0.8
479.07626	0.6
483.07120	0.3
493.08963	0.8
494.09845	0.9
495.10849	0.4
497.08649	3.2
505.08807	0.8
507.07034	0.5
511.10321	0.7
522.09406	2.8
523.10065	1.1
524.11005	0.6
525.08234	2.9
537.12219	0.7
539.09888	1.6
540.10461	4.0
555.12793	100.0
556.13116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05504	4.3
59.04993	0.9
67.05499	9.1
69.03426	7.5
69.07059	13.0
70.25941	1.9
70.26333	2.6
71.04985	1.4
77.18975	0.9
79.05480	6.2
81.03419	2.4
81.07052	38.4
83.05001	1.5
83.08612	4.1
85.02894	3.5
85.06528	4.5
91.05477	4.7
93.07033	19.4
95.04971	4.3
95.08600	23.0
95.41235	1.2
96.90504	1.0
97.02899	2.2
97.06528	7.5
97.10155	3.2
103.05492	1.7
105.07023	11.4
107.04916	1.9
107.08584	21.5
109.02845	1.9
109.06520	3.6
109.10150	15.9
111.08099	3.1
111.11657	1.1
117.07003	1.2
119.08572	12.5
121.06512	4.1
121.10127	24.4
123.08083	2.5
123.11691	14.8
125.05952	1.2
127.03928	2.0
129.06987	2.0
131.04939	2.4
131.08540	2.9
133.10117	8.6
135.08060	2.0
135.11697	22.4
137.05975	3.9
137.09607	9.5
137.13234	3.8
139.11111	1.8
142.08644	4.8
145.10123	8.4
147.08080	3.3
147.11703	8.1
149.05989	3.2
149.09604	4.5
149.13275	4.7
151.11110	1.7
153.12715	1.0
157.10124	2.4
159.11678	5.3
161.05962	1.0
161.09663	5.1
161.13223	3.4
163.07480	1.1
163.11159	5.9
163.14859	1.5
165.09105	10.8
165.12794	2.0
167.07007	2.7
167.10715	1.3
169.10083	1.2
171.11678	2.0
173.13272	3.5
175.11192	4.5
175.14822	1.5
177.12740	6.0
177.16388	2.4
179.10744	1.4
181.12216	1.7
183.10240	1.3
183.11775	1.0
185.13219	1.2
187.11218	1.4
187.14830	4.1
189.12759	2.3
189.16313	1.3
193.12242	1.9
197.13391	1.3
201.16420	2.6
203.14334	1.5
205.15886	4.1
211.14819	2.7
225.16449	1.6
229.15887	1.7
235.16801	1.9
243.10202	1.7
243.20956	1.6
267.21021	6.4
271.19043	1.8
275.23740	1.3
285.10968	1.2
285.22095	10.2
303.23172	22.8
321.24213	100.0
333.05917	1.4
339.25269	77.8
347.68301	1.1
357.26205	2.3
441.64505	1.2
555.14673	6.3
584.94049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01492	1.8
53.50594	1.6
55.01862	3.0
55.05518	13.4
57.03423	3.6
57.07063	7.5
59.05000	2.7
62.04369	1.5
67.05502	19.9
68.05769	1.7
69.03431	13.7
69.07066	53.4
69.64262	9.5
69.64679	2.7
71.01332	1.6
71.04981	6.0
71.08636	2.2
72.08158	1.9
79.05488	12.1
81.03426	5.9
81.07052	52.0
83.04979	2.2
83.08607	17.2
85.02914	10.8
85.06543	4.7
91.05463	9.2
93.07043	37.3
95.04977	7.9
95.08605	53.6
97.02892	3.2
97.06538	9.3
97.10168	4.8
99.04458	3.7
103.03935	1.9
105.01879	2.6
105.07022	16.8
106.07332	2.4
106.67008	1.8
107.04920	3.4
107.08591	55.6
109.02908	3.4
109.06531	11.2
109.10155	58.4
111.04449	1.5
111.08063	6.3
111.11703	7.4
119.08585	15.9
121.06506	7.6
121.10137	23.9
123.08064	5.4
123.11706	17.7
125.05964	6.1
125.09618	2.8
127.03900	6.5
127.11160	5.7
131.08557	7.8
133.10121	18.8
135.08070	13.6
135.11670	18.0
136.12006	2.3
137.05959	9.4
137.09601	24.2
137.13234	5.8
139.11188	3.2
143.07028	11.5
143.08493	1.5
145.04955	2.2
145.06425	2.1
145.10123	10.2
147.07982	3.9
147.11732	8.7
149.09622	10.4
149.13239	9.3
151.03899	1.9
151.11182	16.1
151.14856	1.9
153.09108	2.9
153.12698	18.9
155.08559	2.0
157.10159	3.2
159.08023	3.5
159.11632	5.7
161.05939	2.7
161.09616	7.6
161.13257	5.1
163.07538	4.2
163.11195	4.1
163.14790	4.2
165.09129	12.4
167.07034	5.9
167.10666	9.0
169.12259	5.3
171.10149	2.5
171.13824	6.6
173.09593	3.7
173.13243	5.3
175.11125	2.5
175.14856	4.3
177.09096	9.0
177.16377	3.7
179.10686	10.7
187.14853	3.5
189.16469	1.7
191.10655	6.9
193.12286	4.0
193.15866	7.0
195.10141	7.9
195.17430	3.1
197.11737	2.5
201.16331	2.1
203.17870	2.3
211.14641	2.6
219.21120	4.1
225.09108	2.0
225.18311	1.8
243.21120	3.1
257.22690	2.5
261.22189	5.4
267.21002	2.6
275.23697	3.7
277.22018	1.9
277.25183	2.7
278.60150	1.5
279.23282	5.2
285.22076	5.4
295.26413	2.6
303.23181	24.4
321.24219	100.0
339.25281	73.4
357.26337	33.8
405.09689	3.9
555.26807	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.9
57.07059	5.7
59.04999	1.4
64.52223	1.3
67.05510	12.7
69.03421	7.5
69.07064	24.9
71.03419	3.3
71.03757	1.6
71.04984	5.2
79.05498	9.6
81.03396	1.6
81.07051	41.1
83.04977	2.5
83.08610	16.5
85.02874	3.9
85.06528	8.0
85.10143	1.3
91.05467	6.8
93.07036	23.6
95.04958	4.7
95.08601	44.3
97.06509	3.6
97.10157	5.4
102.87845	1.5
103.03914	2.7
105.07019	9.7
107.04916	1.9
107.07864	1.7
107.08589	28.6
109.02888	1.8
109.06519	12.2
109.10136	23.1
111.08063	6.5
111.11699	2.3
115.31260	1.3
117.07007	3.4
119.04922	1.7
119.08578	13.8
121.06499	5.4
121.10133	13.3
123.08060	4.9
123.11733	10.2
125.05961	1.9
125.09661	2.3
125.13247	2.4
127.03916	1.9
127.07568	2.4
131.08551	5.0
133.10101	12.3
135.08041	14.9
135.11681	11.1
137.05954	5.0
137.09610	16.4
137.13271	9.2
139.07512	2.4
143.06995	1.6
143.08549	1.5
145.10100	4.9
147.08040	2.9
147.11658	7.6
149.09608	3.8
149.13246	9.3
151.11171	2.4
151.14778	2.1
153.09053	1.7
155.07047	2.4
157.10075	2.2
159.08031	5.5
159.11664	5.6
161.09618	5.9
161.13322	3.1
163.07526	6.6
163.11090	2.0
163.14781	5.7
165.09123	7.8
167.10757	1.5
173.09677	2.2
173.13225	4.1
175.14799	4.0
177.09106	4.6
177.16409	4.2
179.10666	4.0
187.14859	2.8
191.10666	3.4
191.17838	1.6
193.12225	2.0
193.15826	3.8
195.10135	5.0
195.17401	3.5
197.11772	2.9
201.16341	1.7
203.17982	2.7
207.17424	1.6
219.21101	2.1
237.22089	2.6
243.21085	4.3
261.22089	4.2
267.21097	2.1
275.23547	2.6
279.23199	4.6
282.01764	1.6
283.01837	1.8
285.22110	6.2
295.26279	4.4
303.23169	26.5
321.24216	92.6
339.25262	100.0
357.26334	36.3
375.27429	6.7
402.89621	1.7
405.09595	6.1
413.21616	1.7
435.10638	3.7
459.10333	2.8
480.62979	1.6
489.12250	1.6
501.11539	3.4
519.12579	1.5
555.24170	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	554.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03425	1.4
57.07055	1.2
59.38202	0.5
61.02911	1.1
63.20616	0.6
65.47083	0.5
69.03441	3.1
69.41027	0.5
69.41326	5.2
73.02892	1.0
81.03391	0.9
81.07012	1.0
83.80540	0.5
85.02903	7.5
85.06532	1.2
87.04414	0.6
91.03928	0.7
91.05455	1.9
93.07042	1.2
94.04160	0.7
95.08617	0.7
97.02884	2.8
103.05425	0.9
105.07008	0.8
107.04988	0.6
109.06501	0.6
109.10182	0.7
111.04385	0.7
115.05404	0.8
119.04990	0.9
119.08594	0.6
121.06498	2.6
122.03609	0.9
123.04400	0.7
124.07603	0.6
125.05991	1.4
125.09620	0.7
127.03872	1.5
129.05461	1.1
131.04897	1.0
133.06476	1.2
135.07979	0.5
137.05971	26.8
142.08600	1.9
143.04878	1.5
145.04982	1.6
146.03796	0.6
147.04364	1.2
149.05962	4.0
151.03868	0.8
151.07539	1.3
153.05496	2.6
159.10162	2.8
161.05978	16.9
163.06252	0.6
163.07500	3.5
164.06964	0.6
165.06992	3.0
167.06995	2.4
167.08318	0.8
175.03854	1.4
175.07538	7.1
177.05452	1.1
179.06989	2.4
179.08527	1.4
180.08740	0.7
181.06503	0.5
182.07288	0.8
188.04651	4.0
191.06914	3.2
193.06485	6.5
194.07114	0.7
195.08035	0.6
197.09627	1.5
202.10764	1.1
203.07030	12.6
205.06715	0.5
205.08615	1.9
207.06361	2.5
207.08221	2.7
210.06732	4.2
211.07564	1.3
213.11256	1.1
221.05975	14.6
221.07759	0.5
222.06609	0.7
223.07512	0.9
224.08354	2.7
225.09074	17.9
227.07030	0.8
231.08238	0.5
234.06781	1.0
235.07489	2.4
235.09665	3.0
237.09120	0.9
238.06293	4.4
239.06927	1.2
239.10677	1.6
242.09352	0.6
247.03195	0.7
249.09079	3.0
251.07065	1.6
251.90207	0.6
252.07881	3.2
253.08585	31.8
254.09354	1.7
255.06526	2.4
257.11740	0.7
262.06216	0.8
263.06976	0.9
265.08630	1.7
266.09415	0.9
267.10184	12.8
269.08145	0.6
270.08838	4.3
271.06012	0.9
276.63937	0.6
277.08606	5.4
280.07349	1.8
281.11746	0.6
285.11203	82.5
286.11447	0.9
294.08817	2.9
295.09637	6.3
297.11234	4.7
299.12729	1.7
309.11188	10.4
312.09937	1.2
313.10638	0.8
320.23026	0.7
325.10797	0.9
327.12265	81.5
331.15399	1.4
338.23920	0.9
339.12173	1.2
345.13306	100.0
346.13489	1.3
357.13351	4.2
360.20251	1.1
378.21426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03425	1.4
57.07055	1.2
59.38202	0.5
61.02911	1.1
63.20616	0.6
65.47083	0.5
69.03441	3.1
69.41027	0.5
69.41326	5.2
73.02892	1.0
81.03391	0.9
81.07012	1.0
83.80540	0.5
85.02903	7.5
85.06532	1.2
87.04414	0.6
91.03928	0.7
91.05455	1.9
93.07042	1.2
94.04160	0.7
95.08617	0.7
97.02884	2.8
103.05425	0.9
105.07008	0.8
107.04988	0.6
109.06501	0.6
109.10182	0.7
111.04385	0.7
115.05404	0.8
119.04990	0.9
119.08594	0.6
121.06498	2.6
122.03609	0.9
123.04400	0.7
124.07603	0.6
125.05991	1.4
125.09620	0.7
127.03872	1.5
129.05461	1.1
131.04897	1.0
133.06476	1.2
135.07979	0.5
137.05971	26.8
142.08600	1.9
143.04878	1.5
145.04982	1.6
146.03796	0.6
147.04364	1.2
149.05962	4.0
151.03868	0.8
151.07539	1.3
153.05496	2.6
159.10162	2.8
161.05978	16.9
163.06252	0.6
163.07500	3.5
164.06964	0.6
165.06992	3.0
167.06995	2.4
167.08318	0.8
175.03854	1.4
175.07538	7.1
177.05452	1.1
179.06989	2.4
179.08527	1.4
180.08740	0.7
181.06503	0.5
182.07288	0.8
188.04651	4.0
191.06914	3.2
193.06485	6.5
194.07114	0.7
195.08035	0.6
197.09627	1.5
202.10764	1.1
203.07030	12.6
205.06715	0.5
205.08615	1.9
207.06361	2.5
207.08221	2.7
210.06732	4.2
211.07564	1.3
213.11256	1.1
221.05975	14.6
221.07759	0.5
222.06609	0.7
223.07512	0.9
224.08354	2.7
225.09074	17.9
227.07030	0.8
231.08238	0.5
234.06781	1.0
235.07489	2.4
235.09665	3.0
237.09120	0.9
238.06293	4.4
239.06927	1.2
239.10677	1.6
242.09352	0.6
247.03195	0.7
249.09079	3.0
251.07065	1.6
251.90207	0.6
252.07881	3.2
253.08585	31.8
254.09354	1.7
255.06526	2.4
257.11740	0.7
262.06216	0.8
263.06976	0.9
265.08630	1.7
266.09415	0.9
267.10184	12.8
269.08145	0.6
270.08838	4.3
271.06012	0.9
276.63937	0.6
277.08606	5.4
280.07349	1.8
281.11746	0.6
285.11203	82.5
286.11447	0.9
294.08817	2.9
295.09637	6.3
297.11234	4.7
299.12729	1.7
309.11188	10.4
312.09937	1.2
313.10638	0.8
320.23026	0.7
325.10797	0.9
327.12265	81.5
331.15399	1.4
338.23920	0.9
339.12173	1.2
345.13306	100.0
346.13489	1.3
357.13351	4.2
360.20251	1.1
378.21426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.99326	0.4
63.75890	0.4
67.05500	0.5
73.02912	0.4
77.53680	0.4
79.05473	0.5
89.45275	0.4
93.24358	0.4
112.31787	0.4
113.14168	0.4
123.04429	0.9
133.03505	0.6
185.04195	0.6
203.05304	1.3
211.27306	0.5
259.08011	0.8
273.59918	0.4
299.09219	0.8
317.19595	1.6
335.20743	0.8
358.22321	0.5
391.24200	0.7
553.15125	5.9
553.29797	100.0
554.15137	0.6
554.30640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1127
Annotation	Cryptomerin A
Peak:m/z	Relative Intensity
63.75291	1.0
68.01362	1.0
71.61177	1.5
74.80350	1.1
79.05437	1.3
81.07039	1.2
82.92066	0.9
88.79853	1.0
91.05426	1.0
95.04932	1.1
95.08559	1.5
107.04938	5.0
109.10145	1.8
121.02807	1.7
123.04408	1.8
126.97626	1.0
137.05959	1.6
147.04370	1.3
153.05394	1.1
197.05928	1.2
213.05324	1.3
225.05386	1.0
238.06094	3.7
241.05014	1.4
243.06451	1.3
253.04843	2.4
255.06403	2.9
258.05103	1.5
259.07516	1.3
266.05557	3.2
267.06247	1.4
268.77127	1.0
269.04303	2.8
271.05801	3.4
273.05426	1.4
283.05862	3.0
284.06589	3.4
285.07379	2.7
286.08133	3.9
287.06784	1.9
299.09186	10.5
315.06177	1.2
342.04922	1.2
343.06052	2.4
360.63846	1.0
371.05487	11.8
372.05939	1.6
389.10059	1.2
393.07053	1.6
399.04944	17.5
400.05325	3.6
411.04626	2.2
417.13055	1.6
421.06702	3.0
422.07285	1.3
424.05515	1.7
429.06271	2.5
433.07031	1.9
437.06039	1.2
444.08139	1.8
447.14474	6.1
449.05850	2.9
459.07086	1.2
461.06332	2.5
467.07275	1.2
475.07797	1.4
477.05692	2.3
478.06131	1.6
492.07419	1.6
493.09042	5.4
495.06570	3.9
505.05460	1.8
520.07410	1.5
521.08447	2.5
522.08801	1.3
523.06183	2.4
525.11139	1.4
537.07544	1.7
538.08746	9.2
553.10852	100.0
553.29285	20.5
554.11151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05500	4.9
57.03423	4.9
57.07064	2.0
58.46838	1.8
67.05502	8.7
69.03434	8.4
69.07056	9.2
71.04979	5.9
71.58549	3.0
73.02908	8.2
79.05482	4.1
81.03424	2.4
81.07042	14.4
83.08610	6.1
85.02891	10.6
85.06538	100.0
86.09721	1.9
93.07043	6.8
95.08607	22.4
97.02902	10.2
97.10161	5.8
99.08086	7.7
103.05433	1.8
104.10707	2.6
105.07042	3.8
107.04951	3.3
107.08580	9.0
109.02826	2.0
109.06516	2.2
109.10150	21.7
113.09610	2.8
115.03928	3.8
119.04951	2.1
119.08555	3.5
121.10103	10.2
123.08042	2.0
123.11711	18.9
127.03941	3.6
127.11159	1.9
135.11691	8.0
137.06009	4.1
139.03860	2.2
139.11169	2.0
145.04974	2.6
145.10147	1.6
149.13271	6.4
163.14896	2.2
167.06976	3.9
173.13133	2.1
179.17899	2.5
184.07294	2.4
185.70947	1.8
191.17789	2.0
205.19534	6.9
209.19012	2.1
223.20613	14.0
241.21600	51.5
251.20161	1.7
253.04959	2.0
269.04419	3.1
269.21149	4.9
299.09195	2.6
311.05942	2.1
311.09247	5.9
454.71524	1.8
497.03201	1.8
553.14545	15.4
553.25787	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	552.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05509	4.8
57.03438	4.7
57.07076	1.4
59.04992	4.9
60.42236	0.9
65.03928	1.4
67.05502	11.1
69.03422	21.7
69.07070	8.2
70.57294	2.7
71.04987	3.9
79.05483	7.0
81.03422	1.6
81.07050	33.0
83.04964	2.4
83.08617	4.4
85.02908	4.7
85.06531	1.4
87.04459	2.8
91.05488	5.4
93.07038	27.8
93.61002	0.9
95.04967	5.3
95.08598	32.4
97.02861	1.3
97.06515	9.6
97.10159	1.6
99.08067	1.2
103.05409	1.1
105.07022	15.6
105.37644	1.0
107.04936	1.5
107.08586	26.6
109.02879	1.6
109.06506	9.0
109.10152	18.5
111.08061	4.4
117.07020	1.3
119.05004	1.1
119.08569	21.0
121.06514	6.1
121.10131	39.7
123.08053	5.2
123.11704	11.4
123.91628	1.0
125.05984	2.1
125.09624	4.4
127.03899	1.1
127.11216	1.2
129.06989	1.3
131.08539	5.9
133.10117	33.1
135.08087	6.3
135.11678	23.2
137.05971	5.6
137.09610	15.0
137.13268	6.6
139.07518	2.0
139.11154	14.8
141.01950	1.0
141.12720	1.6
143.08539	3.2
145.10115	10.9
147.08014	3.5
147.11664	7.9
149.09615	6.2
149.13231	5.1
151.03864	1.0
151.07552	1.4
151.11171	28.5
153.05504	1.4
153.12741	1.9
157.08824	2.0
157.10129	8.6
157.12234	1.4
159.08057	2.7
159.11667	9.6
161.09592	6.0
161.13239	2.8
163.11200	11.0
163.14854	1.9
165.09116	13.2
165.12706	1.8
167.07062	3.4
167.08391	1.3
169.10068	1.3
171.11714	5.7
173.09625	3.7
173.13269	7.8
175.11169	19.4
175.14784	5.0
176.11656	1.1
177.12767	7.6
177.16336	1.2
181.12277	2.7
183.10236	1.2
183.11754	1.9
185.09547	1.5
185.13284	2.5
187.14816	3.7
189.12723	4.0
189.16383	5.2
191.14293	2.2
191.17947	1.7
195.11781	1.3
197.13251	3.9
199.11168	1.8
199.14827	9.0
201.11127	2.1
201.12830	2.9
203.14326	4.0
203.18019	1.7
205.15878	1.8
213.12717	5.0
213.16382	7.8
215.14305	4.9
215.17944	3.7
217.09148	1.0
217.15860	2.0
217.19582	2.3
223.14841	1.4
227.14253	2.7
231.17337	8.8
233.18964	1.6
235.20749	2.6
239.17984	1.3
241.15849	2.2
241.19588	3.2
249.18428	2.2
253.21542	1.3
255.20985	2.3
257.22754	1.6
259.16837	1.8
259.20560	4.2
265.19492	4.1
269.21155	1.5
273.22098	3.6
275.23651	5.1
283.20566	19.0
289.21597	3.2
293.24631	6.8
301.21588	82.8
302.22058	1.9
307.22711	1.5
319.22644	82.6
325.23792	1.1
337.23697	100.0
338.24118	1.2
346.60004	1.2
355.24774	41.8
373.25928	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	551.4243
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
53.03948	2.7
55.05501	11.2
57.07075	5.7
65.03943	2.8
66.46162	2.7
67.05501	23.6
69.07063	18.8
69.33897	2.3
70.92452	7.3
79.05492	19.8
81.07059	39.3
83.08607	7.6
91.05476	30.4
93.07046	54.3
95.04953	6.5
95.08607	40.6
103.05509	3.9
103.31757	2.5
105.07037	67.1
107.08595	50.6
109.06493	3.2
109.10149	47.9
115.05406	4.2
117.06994	15.0
119.08574	100.0
121.09303	4.4
121.10136	52.0
121.10912	2.1
123.08084	3.3
123.11677	17.1
128.06224	5.1
129.06973	12.8
130.07800	4.0
131.08562	30.1
133.10133	58.4
133.43808	2.5
135.11678	44.3
137.09615	5.3
141.06998	4.0
142.07787	11.9
143.08565	27.3
144.09341	6.5
145.10120	71.0
147.11671	21.5
149.09610	4.7
149.13286	7.5
155.08562	7.3
156.09343	11.0
157.10123	45.5
158.10945	6.6
159.11664	31.0
161.13298	13.2
162.01939	2.6
163.14786	4.1
165.06967	3.1
167.08569	5.6
168.09322	2.9
169.10139	21.5
170.10895	6.1
171.11667	21.7
173.13274	25.6
175.14812	46.5
180.09334	3.9
181.10091	5.9
182.10869	3.5
183.11649	19.5
184.12459	4.3
185.13255	20.4
187.14804	16.2
189.16328	5.8
192.09204	2.9
193.10129	6.3
193.15863	2.7
194.11009	3.8
195.11736	13.3
197.13271	23.2
199.14804	11.0
201.16383	17.0
207.11729	5.4
208.12581	3.5
209.13286	16.0
210.13869	3.7
211.14816	15.7
212.15671	2.9
213.16325	7.7
219.17468	7.6
220.12459	4.2
221.13200	6.1
223.14787	15.1
225.16344	8.8
227.17896	3.5
233.13179	3.3
237.16296	6.0
239.17929	4.9
241.19539	6.4
242.01535	2.6
247.14819	3.5
249.16371	4.9
251.17989	3.6
253.19521	3.6
257.19064	3.8
259.20743	3.7
261.16312	3.8
265.19370	6.3
267.21112	7.4
275.17764	4.2
278.96045	3.0
283.20859	3.2
285.22144	6.5
289.19446	5.0
291.20959	3.0
329.22623	2.9
331.24332	3.8
345.25787	5.3
349.25290	3.6
391.30014	3.3
403.29602	3.4
411.30545	4.5
486.56613	3.0
495.36130	3.7
533.40802	4.7
551.42480	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.4
55.01852	3.3
55.05499	4.6
57.03430	6.4
57.07055	1.9
61.02933	2.4
65.03938	2.1
67.05491	8.2
68.68723	1.8
69.03423	13.0
69.07062	8.5
69.83216	1.6
70.01724	1.7
71.04994	13.8
71.63455	2.2
73.02902	11.9
74.16772	1.6
74.54363	1.9
77.40752	1.8
79.05486	12.5
80.35119	1.7
81.03404	3.7
81.07052	58.3
83.04985	3.7
85.02904	22.3
85.06540	3.2
91.05464	9.9
93.07045	23.6
95.04971	5.4
95.08603	22.7
97.02877	19.2
97.06554	2.8
99.04474	3.0
99.08069	2.3
103.05452	3.2
105.07030	38.8
107.04926	2.6
107.08585	21.6
109.02889	3.7
109.10149	30.7
111.04445	2.8
111.08082	2.8
113.09653	2.1
115.03917	8.6
115.05365	2.7
116.98646	2.6
117.03358	2.5
117.06995	2.6
119.04936	2.8
119.08577	71.2
121.06575	2.7
121.10122	7.3
123.04418	3.4
123.08108	2.3
123.11694	7.5
125.09649	1.9
127.03905	8.3
127.11183	38.7
129.06967	3.0
131.04907	5.9
131.08505	3.6
133.04958	3.5
133.10133	15.6
135.11693	36.6
136.16060	1.7
137.05960	23.3
138.06363	1.8
145.02968	2.2
145.04929	5.7
145.06540	2.6
145.10115	5.6
147.04422	2.4
147.11667	15.8
149.05962	5.8
149.13235	5.7
151.07518	5.2
153.05472	3.9
157.10106	3.6
159.11691	6.5
159.23466	2.3
161.06010	3.7
161.13219	5.3
163.06073	2.7
163.07506	4.0
163.14719	2.2
164.86046	2.0
167.07057	29.6
171.11617	3.1
175.03854	3.2
175.07518	5.4
177.05502	9.5
177.16345	2.5
179.07074	2.4
181.04942	4.9
189.00604	2.0
189.09100	3.6
193.08766	2.0
201.05367	2.7
201.12651	2.0
203.17924	55.5
207.06516	6.9
208.06871	3.2
209.08083	3.6
221.18983	100.0
231.09024	2.5
231.17442	2.5
239.20000	4.1
245.19255	1.8
257.97308	2.0
259.07977	2.8
265.08636	1.9
276.24979	2.2
285.11139	2.0
291.03870	2.3
295.10004	3.3
329.06256	3.0
347.22229	2.6
365.23245	3.8
371.14951	18.2
383.24191	2.5
401.15906	3.0
431.12125	13.8
461.17059	2.6
546.66498	2.3
551.21021	5.5
551.30072	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	551.2115
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
50.29696	0.4
52.35355	0.4
53.03945	0.6
55.01866	3.8
56.76350	0.4
57.03428	1.2
61.02909	1.1
63.02378	0.4
65.03934	0.9
67.05496	1.5
69.03423	5.0
69.07040	0.4
70.98582	0.8
71.04980	0.7
73.02908	0.8
77.03928	0.4
78.04692	1.0
79.05485	2.0
80.97631	0.4
81.03407	1.7
81.07050	1.2
82.04207	0.6
83.04974	0.5
83.11809	0.4
85.02895	5.5
85.06506	0.4
87.04417	0.5
89.03912	0.8
91.05473	2.8
93.07048	1.4
94.04173	1.1
95.04939	2.6
95.08608	1.0
97.02871	2.0
97.06519	0.4
99.04457	0.8
103.05453	5.7
105.07033	2.2
106.04172	0.9
107.04946	5.1
107.08579	0.7
108.02065	0.4
109.02864	1.3
109.06502	0.7
110.03610	0.6
111.04393	0.5
115.05448	1.7
117.03371	0.8
117.07019	1.0
119.04932	0.8
119.08569	0.7
121.06483	3.7
121.10078	0.5
122.03683	2.3
123.04419	3.3
124.05205	1.1
125.05983	0.8
127.03915	1.6
128.06194	3.0
129.06996	11.0
131.04916	7.4
131.08572	1.8
133.06482	1.4
134.03578	0.5
135.04408	1.0
135.11681	0.5
137.02310	0.9
137.05960	25.7
140.04689	0.8
141.06944	0.6
143.08633	0.5
144.05695	0.5
145.05016	0.4
145.06477	1.7
146.03630	0.7
147.04404	1.8
148.05190	0.5
149.05968	9.7
151.03883	0.6
151.07553	3.6
152.04684	0.7
153.05426	1.0
155.06989	1.0
157.06470	11.3
158.07278	0.7
159.04333	2.0
159.08052	1.8
160.05226	0.6
161.05956	4.6
161.09715	0.5
162.06758	0.8
163.03825	1.1
163.07530	5.2
165.05408	0.5
167.07030	50.1
171.06520	1.0
174.06758	3.1
175.07535	2.9
177.05460	20.0
177.08963	0.6
179.07004	1.0
181.04936	13.6
181.08469	0.8
183.06462	0.6
185.05954	2.5
187.07559	2.1
188.71358	0.4
189.09081	11.4
191.06912	0.9
191.10670	1.4
193.08586	1.0
195.06488	0.5
199.07588	0.7
201.09134	0.8
203.06960	0.8
203.08636	1.0
205.08438	0.7
207.06491	1.1
209.08037	3.4
215.08549	1.2
217.08582	7.8
218.07272	1.4
219.08192	0.9
219.10178	2.7
221.08020	0.9
223.16713	0.4
229.06551	0.5
231.08083	1.0
233.09671	1.2
235.07491	0.7
243.08101	0.5
246.06808	1.0
247.07619	1.3
247.25487	0.5
248.08456	0.5
249.09253	0.9
250.09735	0.5
257.08142	2.1
261.09055	3.8
262.09839	0.6
263.07013	0.7
271.06018	5.4
272.06284	4.6
273.06540	4.7
276.07889	0.6
277.08569	2.1
277.18188	0.4
277.48010	0.4
278.09369	0.7
279.10162	0.5
289.08603	1.4
290.09476	0.7
291.10132	1.0
293.11710	2.6
294.08823	0.5
297.11380	0.4
302.07388	0.9
303.07697	1.2
306.08780	0.7
307.09644	1.8
309.11304	0.6
316.22675	0.4
321.11230	3.5
322.12085	1.5
323.09290	0.5
339.12158	2.0
341.14014	0.6
353.13953	1.3
355.15161	0.5
359.14923	1.8
369.28635	0.4
371.14859	100.0
372.15277	1.1
373.16354	0.9
389.15863	1.1
474.68701	0.4
484.14340	0.4
533.20764	0.5
551.21008	2.8
551.30164	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	551.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.3
57.03431	6.7
65.03926	4.7
66.77703	3.9
69.03399	6.5
69.23028	4.2
69.65316	34.7
71.04979	7.9
73.02906	13.7
76.02246	5.1
79.05480	5.8
79.89442	4.0
80.51787	4.7
81.03403	7.0
81.07047	4.9
84.08138	63.8
85.02874	21.8
91.05482	5.2
96.01565	4.5
97.02865	8.1
98.21445	8.4
99.04468	9.7
100.83323	3.7
105.07016	8.7
106.60007	4.5
107.04975	5.8
109.02847	3.6
119.04943	4.8
120.16607	4.8
121.02013	5.3
121.02867	71.1
123.08057	4.3
127.03997	4.1
129.88258	4.1
131.75436	4.3
135.04436	6.1
137.02330	21.4
137.05930	5.3
149.05930	5.6
151.03908	4.9
161.05997	7.3
167.07033	4.6
171.04330	6.9
172.68590	4.8
181.01378	5.7
189.01860	6.4
191.03317	4.3
193.06422	10.2
195.02946	12.1
199.02367	10.6
202.65921	5.6
203.03375	12.0
203.10692	4.5
207.02917	10.1
215.03482	4.3
217.04918	4.5
219.02946	8.6
283.05899	12.7
286.04663	13.4
295.06030	10.9
297.04080	8.4
297.07224	8.6
299.05475	77.8
300.06219	8.7
308.06613	5.4
309.07568	11.4
310.04663	9.4
310.07840	4.9
311.05426	48.6
313.07010	19.2
321.07587	12.1
323.05557	35.9
324.06223	8.8
325.07016	37.3
329.06473	49.6
333.07645	8.1
335.05707	9.7
336.06192	6.1
337.07028	68.4
338.07800	7.3
339.08246	9.9
341.06564	38.4
345.07544	6.1
349.07098	25.6
350.07822	5.1
351.08539	14.6
353.06537	74.2
355.08047	5.8
361.07083	13.6
363.08496	4.8
365.06451	68.5
365.10617	6.1
367.08145	23.8
368.08536	4.8
371.29037	12.5
377.06509	14.1
379.08029	22.7
383.07559	63.4
387.09293	6.4
389.06564	15.1
389.30231	18.0
391.08179	15.8
393.09653	6.3
395.07587	44.9
401.08640	22.5
403.07843	8.3
405.10123	11.0
407.07565	31.6
413.08395	22.6
419.09750	100.0
425.08694	36.8
431.07800	9.4
433.09247	4.8
437.08551	5.1
443.09796	35.5
449.08978	19.9
461.09305	15.6
467.09720	34.0
479.09528	12.3
485.10767	29.9
487.19754	4.2
497.10648	79.3
515.11792	60.2
533.12799	27.8
551.14185	14.2
551.35150	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	551.1395
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
55.01864	7.6
56.80875	1.2
57.03430	1.2
57.19911	1.1
57.85323	1.2
60.97791	1.1
69.03420	1.7
69.95499	7.5
73.02910	1.4
73.63908	1.4
81.03419	2.7
83.04989	2.9
85.02895	4.0
91.05466	2.0
93.07067	1.4
95.04986	1.4
97.02915	2.8
98.32343	1.2
98.97537	1.1
99.04507	1.3
102.34784	1.0
105.06216	1.2
105.07006	1.5
107.04952	3.4
109.02855	1.3
117.03366	1.3
119.04968	1.7
121.02850	2.1
127.03926	2.2
128.46526	1.2
131.04880	1.6
135.04422	7.2
137.02350	24.9
137.03391	2.2
137.05981	3.5
138.05501	2.1
141.07079	1.1
144.13835	1.1
147.04440	1.7
149.06039	1.5
157.08633	1.9
159.04445	2.2
161.02377	6.4
161.06010	2.9
162.05510	1.9
162.55394	1.1
166.04947	2.1
171.33099	1.3
173.06071	2.2
175.03879	2.4
177.05374	1.8
179.03403	2.2
181.04884	1.2
187.03871	2.0
189.01834	4.4
189.05493	2.3
191.03395	4.7
193.05037	1.6
195.02887	5.6
197.06052	1.5
199.03920	1.8
201.05453	2.8
203.03363	15.5
203.07164	1.1
205.04948	4.1
207.02924	7.7
207.06638	1.7
215.03407	6.4
217.04990	4.6
219.02870	2.0
219.06445	1.6
221.04411	5.8
225.03951	2.0
227.03308	1.5
229.04970	4.5
231.02982	2.3
233.04482	4.9
241.04982	1.8
243.02824	3.5
243.06462	1.3
245.04491	2.4
251.59491	1.2
255.06700	2.1
257.04474	1.2
269.04401	1.7
273.04025	3.9
277.08603	1.3
283.06085	2.2
284.06851	3.3
295.06122	3.1
297.04312	1.4
297.07639	4.1
299.05472	5.4
307.05911	1.4
308.06763	2.5
309.04346	1.5
309.07419	5.8
310.04733	10.5
311.05481	45.8
312.06213	4.3
313.07077	5.2
321.07462	2.2
322.08466	1.4
322.12659	2.9
323.05487	38.0
323.08774	2.4
324.06253	13.8
325.07059	15.7
329.06750	3.8
333.07803	2.8
335.05524	5.6
335.09048	1.3
336.06378	6.4
337.07056	44.6
337.11127	2.5
338.04105	1.7
338.07727	5.8
339.05112	1.4
339.08740	6.9
341.06589	34.8
345.07455	3.7
349.06998	23.5
349.10858	2.0
350.07883	4.5
351.04861	2.1
351.08640	14.4
352.05835	3.9
353.06516	35.2
353.10657	2.4
355.08051	3.2
361.07040	15.9
363.08627	7.2
364.05768	2.1
365.06561	39.2
365.10077	1.4
366.07370	1.7
367.08124	17.4
371.07581	3.4
375.08597	5.0
377.06479	22.3
378.07260	1.6
379.08127	22.7
379.12744	2.2
383.07648	8.5
387.08664	2.2
389.06525	15.9
391.08139	11.9
393.09918	2.7
395.07611	54.6
401.08514	1.9
403.08154	10.4
405.09567	4.1
407.07605	42.4
409.09320	3.1
413.08621	30.8
415.07962	5.2
419.07489	12.7
421.09146	9.9
425.08643	44.9
425.14401	2.5
431.07706	11.5
433.09210	8.3
437.08725	5.0
443.09702	30.7
449.08691	23.9
461.09366	17.9
467.09729	32.7
479.03561	1.6
479.09811	17.3
485.10803	55.6
497.10776	100.0
515.11841	94.2
533.12848	41.9
551.13757	21.7
551.21570	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	551.1031
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.6
55.01872	1.4
57.03426	1.1
61.02937	0.8
61.03191	0.2
63.21307	0.1
64.99004	0.1
68.99789	1.2
69.03426	6.9
69.03806	0.3
70.25562	0.3
70.25961	0.4
71.04984	1.1
73.02541	0.2
73.02912	1.8
81.03413	7.5
83.01331	0.3
85.02900	11.3
87.00823	4.9
91.03953	0.6
93.03397	0.2
95.04969	0.4
97.02888	3.9
99.04441	2.4
101.02363	0.2
105.01852	3.0
105.07037	0.2
107.04993	0.2
109.02875	6.5
111.00785	0.8
115.03941	0.2
117.01817	1.1
121.02876	1.2
121.10252	0.2
123.04419	0.3
127.03913	8.9
129.01817	0.6
133.10167	0.3
137.01334	0.3
137.02332	3.4
137.03392	0.2
137.05936	0.5
145.04942	3.0
145.06255	0.2
145.06548	0.2
147.02879	0.4
149.02309	0.3
149.06046	0.2
153.01819	3.6
155.04861	0.2
159.02888	4.4
161.05959	0.4
163.03868	0.6
165.01843	1.8
166.02580	0.2
167.07033	0.7
173.05984	0.3
177.05409	0.2
183.02875	0.7
183.04333	0.2
187.03917	0.4
191.03304	0.2
195.02902	0.3
201.05460	2.0
207.02937	0.2
207.13922	0.2
213.03873	0.3
219.02936	0.2
219.06567	0.3
228.04091	0.2
229.04965	4.3
231.04970	1.6
247.05966	0.7
257.04456	2.8
260.61404	0.2
274.04712	0.7
275.05411	0.2
285.03915	1.3
303.04968	100.0
304.05289	1.1
345.05786	0.2
371.14801	0.3
459.01544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35065	0.7
52.70494	0.8
53.03944	0.9
55.05490	3.5
57.00701	0.9
57.03437	5.2
57.07068	0.9
61.02921	1.3
67.05491	4.0
69.03423	6.4
69.07061	5.1
70.41339	3.5
71.04990	9.3
73.02908	7.0
79.05483	7.1
81.03374	1.6
81.07055	41.4
85.02905	8.3
86.09732	1.0
86.12980	0.8
91.05470	4.8
93.07039	18.1
95.04953	1.0
95.08598	9.3
97.02876	9.9
97.06476	1.8
99.08070	2.7
105.07025	26.8
107.08587	16.3
109.02864	1.9
109.09459	1.3
109.10147	18.3
113.09584	1.1
115.03916	5.0
117.06989	2.2
119.08575	60.4
121.10128	3.7
123.11687	5.4
125.09596	1.1
127.03883	2.9
127.11180	20.2
133.10110	11.1
135.11688	33.9
137.05923	0.9
143.10712	2.0
145.04961	2.5
145.10089	1.3
147.11685	10.3
149.13225	3.6
161.13287	4.1
163.14832	0.9
167.06982	0.8
175.14687	1.2
184.07292	2.4
203.16000	1.7
203.17944	35.7
221.18991	100.0
239.20052	2.4
269.61850	0.8
295.10208	1.8
323.04227	1.0
393.10352	0.8
433.25952	1.1
460.10086	1.1
522.46136	0.9
550.32178	0.9
551.13171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73293	1.0
53.03939	2.7
53.66180	1.0
55.01849	1.9
55.05258	2.1
55.05507	28.7
57.03428	2.3
57.07072	7.1
60.39386	1.0
65.03944	1.3
67.05498	40.6
69.07066	38.7
70.19412	4.9
71.04990	3.1
71.08615	2.3
79.05487	17.1
81.07051	81.2
83.04975	4.6
83.08614	21.6
83.65955	1.1
84.78390	1.1
84.94400	1.3
85.06541	5.2
91.05473	18.9
91.54431	1.2
93.07040	17.1
95.04967	3.1
95.08601	38.5
97.06534	6.9
97.10168	11.2
99.08081	3.7
105.07020	25.9
107.08593	13.9
109.06526	3.9
109.10133	14.1
111.08080	2.0
111.11739	2.7
113.05930	1.5
119.08577	18.9
121.10139	23.7
123.08063	4.9
123.11694	23.4
127.07545	2.6
131.08623	1.8
133.10141	2.5
134.55862	1.1
135.11682	6.3
137.13284	2.1
144.56955	1.1
145.10182	1.2
147.11673	49.8
149.13264	2.2
151.14919	1.9
165.12737	25.8
183.13828	4.7
193.12274	1.6
229.14331	8.3
247.24310	2.8
265.25439	7.3
267.15897	69.3
285.17108	1.8
425.30240	1.2
433.09277	1.3
447.85706	1.4
461.25848	1.2
549.34985	3.8
549.41492	100.0
550.42224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01870	1.8
55.05256	1.8
55.05510	24.1
57.03436	5.0
57.07066	4.3
67.05502	25.4
69.03419	1.5
69.07063	23.1
69.59024	6.0
69.59435	2.1
71.04975	2.8
71.08619	1.8
79.05484	13.5
81.03415	28.1
81.07053	28.0
83.04985	4.8
83.08620	23.9
85.02908	13.3
85.06511	1.9
91.05476	12.6
93.07042	14.0
95.04966	12.1
95.08603	25.1
97.02908	1.2
97.06514	2.8
97.10161	10.1
99.08103	1.1
105.04621	1.1
105.07020	11.4
107.04953	2.9
107.08597	8.4
109.06525	1.5
109.10153	11.0
111.08096	4.7
111.11708	2.4
113.06017	1.4
119.08578	7.4
121.06599	1.3
121.10143	11.6
123.11725	3.1
129.07033	4.5
131.08578	4.3
133.10136	4.8
135.11674	6.0
137.09679	1.1
137.13290	1.3
138.61357	1.0
141.65479	1.2
142.07799	2.1
147.11670	5.5
149.09622	1.4
149.13266	2.1
150.99675	1.0
157.10161	4.9
163.14825	1.4
170.62524	1.1
175.11160	4.9
193.12239	26.5
211.13298	33.9
253.14519	1.8
265.25388	4.6
267.15869	6.8
339.28973	4.0
457.36899	2.9
510.96808	1.0
531.40442	4.5
549.41522	100.0
550.41492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81638	1.4
53.03945	2.7
55.05509	27.8
57.03430	6.5
57.07076	8.5
59.52910	1.4
61.90402	1.3
67.05169	2.2
67.05503	29.7
69.03415	3.3
69.07063	28.0
70.31772	2.9
70.32169	3.7
71.04988	4.6
71.08613	4.0
79.05486	18.4
81.03410	30.9
81.03851	2.4
81.07050	34.9
83.04969	4.4
83.08616	23.6
85.02905	18.8
85.06533	1.8
91.04605	1.5
91.05488	15.4
93.07028	14.3
95.04951	13.2
95.05494	1.7
95.08602	31.1
97.02880	2.5
97.06557	2.5
97.10179	12.3
99.08084	2.4
105.07025	11.4
107.08604	9.9
109.06489	3.5
109.10142	12.3
111.04417	1.8
111.08068	5.3
111.11680	2.1
115.05368	1.4
119.08598	8.5
121.10125	11.5
123.11716	5.0
124.44772	1.4
129.07024	7.0
131.08582	3.4
133.10130	4.2
135.11691	4.6
137.53654	1.6
145.10117	2.0
147.08032	2.0
147.11696	5.4
157.10139	6.5
165.16368	2.0
175.11189	5.9
193.12238	26.9
211.13286	38.3
265.25302	5.8
267.15979	6.0
339.28836	3.8
431.06262	1.8
456.74765	1.6
462.22324	1.7
531.40454	5.4
549.41498	100.0
573.91357	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75689	0.2
53.03927	0.2
55.05489	0.2
57.02052	0.2
57.03422	0.3
65.65659	0.1
67.01840	0.4
68.99792	0.3
69.03403	0.4
70.84232	0.5
71.04985	1.1
72.08122	0.2
81.03414	0.3
81.07031	0.5
83.04979	0.2
85.02903	1.9
89.26511	0.1
91.05482	0.3
93.07066	0.2
95.04958	0.2
95.08569	0.2
97.02870	0.4
99.04427	0.2
101.53998	0.2
105.07003	0.2
109.02873	0.3
109.10115	0.2
111.04401	0.3
115.03901	0.2
117.05494	0.2
117.06996	0.2
119.04948	1.3
121.02855	0.7
121.06476	0.1
121.10090	0.2
123.04382	0.2
127.03904	0.4
129.05472	0.3
131.04930	0.2
133.06421	0.1
133.10104	0.2
134.03638	0.4
137.05966	1.7
137.09586	0.2
138.05428	0.3
145.02821	0.6
145.10118	0.2
147.06564	0.1
149.02383	0.3
149.05917	0.2
151.03947	0.1
153.01814	4.4
161.06064	0.2
163.03876	0.3
167.07048	0.5
171.02872	0.6
177.05470	0.5
181.04906	0.3
213.05484	0.3
225.05394	0.3
229.04929	0.9
230.05760	0.3
241.04927	1.7
243.06468	0.3
245.08170	0.2
257.12814	0.3
258.05325	0.3
269.04428	2.3
271.05984	100.0
272.06329	0.9
283.05975	0.6
285.12393	0.2
286.04669	2.9
301.07040	19.2
302.07138	0.2
309.07538	0.2
309.86154	0.1
311.05481	0.5
313.07147	0.3
321.07706	0.2
324.79984	0.2
327.08731	0.1
337.06888	0.2
349.06793	0.2
357.13361	0.2
367.08173	0.7
385.09021	0.2
403.10193	1.4
407.11160	0.2
460.16357	0.2
548.34851	0.2
549.14874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1603
Annotation	(2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)
Peak:m/z	Relative Intensity
50.90266	0.0
55.05481	0.0
57.03418	0.2
63.43626	0.0
67.01854	0.3
68.99442	0.1
68.99810	0.3
69.03407	0.1
69.07047	0.1
69.80543	0.2
71.04987	0.8
73.02902	0.1
75.04461	0.1
81.03394	0.1
81.07034	0.1
83.04964	0.1
85.02895	1.1
87.04456	0.1
91.05463	0.3
93.07009	0.0
95.04958	0.0
95.08617	0.1
97.02869	0.2
97.06512	0.1
98.21439	0.1
99.03820	0.0
99.04410	0.1
105.07002	0.1
109.02872	0.1
109.10108	0.0
111.04463	0.1
115.03863	0.1
119.04929	1.5
119.08566	0.0
121.02855	0.7
121.06470	0.0
121.10125	0.1
127.03910	0.1
128.75702	0.0
129.01819	0.2
129.05466	0.2
131.04919	0.1
133.06557	0.0
135.08038	0.1
137.06015	0.2
137.09628	0.1
145.02820	0.6
145.06468	0.0
147.04335	0.0
147.06502	0.1
151.03860	0.1
153.01813	3.6
157.06384	0.1
161.05930	0.1
163.03899	0.4
163.07600	0.0
165.01866	0.0
167.06984	0.2
169.06355	0.0
171.02869	0.7
175.07549	0.1
175.14926	0.1
177.05473	0.2
183.02892	0.1
187.03896	0.2
197.06056	0.0
202.06140	0.0
203.07018	0.1
207.06508	0.1
209.07956	0.0
211.04019	0.1
215.07010	0.0
225.05423	0.3
229.04964	0.3
239.07101	0.0
243.06488	0.3
247.06018	0.1
253.04848	0.1
254.05769	0.1
267.06534	0.1
270.05167	0.1
271.05981	100.0
272.06296	0.8
281.08203	0.1
283.05960	0.7
284.06812	0.1
287.05606	0.0
293.07703	0.1
295.05954	0.1
297.07440	0.1
305.08127	0.0
307.06116	0.0
309.07550	0.3
311.09015	0.0
313.07050	0.7
316.11969	0.1
321.07553	0.3
325.07144	0.1
337.06982	0.7
349.06931	0.4
363.08212	0.1
367.08072	0.9
381.09576	0.1
385.09052	0.4
393.08856	0.0
403.10172	1.0
417.11676	0.1
517.19208	0.0
549.15234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.9
55.02034	0.6
55.05450	1.0
55.75710	0.6
57.03361	5.3
61.02861	0.7
68.99737	0.9
69.03339	2.8
69.03683	1.0
70.17342	2.5
71.04906	32.7
71.05343	2.7
73.02853	1.0
75.04407	1.1
80.13522	0.6
81.03375	0.7
83.04905	1.0
85.02898	40.2
85.03368	2.6
87.04407	0.9
91.05390	0.9
96.84692	0.6
97.02814	1.9
107.08499	0.9
111.04380	1.1
112.63959	0.6
119.04841	2.3
119.43346	0.6
121.02856	10.9
129.05472	8.4
131.04707	0.6
137.05869	1.2
138.05492	6.2
139.05772	1.5
145.02742	2.7
145.04890	0.9
147.06461	1.4
149.02310	0.7
151.07452	0.7
151.70207	0.7
163.03857	3.7
165.00751	0.6
165.01814	6.7
167.03271	2.0
167.06851	0.7
175.03822	1.0
177.01784	1.1
178.71634	0.6
179.03323	1.0
183.02863	3.1
187.03839	1.4
191.03310	1.2
195.02798	2.0
203.03334	2.4
207.02873	1.4
207.13702	2.0
221.04350	2.3
225.38649	0.8
229.04843	1.9
231.02820	1.0
249.03777	1.9
267.06445	6.4
270.05161	1.9
270.74167	0.6
271.05972	6.2
273.03745	1.5
279.06516	2.5
281.08060	6.8
283.05991	73.7
284.06760	7.0
285.07285	0.8
293.08176	3.4
295.05984	12.9
296.06647	0.8
297.04108	0.8
297.07529	12.7
305.07993	1.4
307.05835	5.3
308.06668	1.3
309.04172	1.3
309.07535	21.9
311.05716	0.8
311.09122	3.9
313.07031	60.9
314.07224	1.0
321.07513	37.6
322.07901	1.2
323.05554	1.0
325.07040	10.0
337.07019	45.3
338.07309	1.4
339.08682	5.3
349.07034	40.7
363.08554	1.0
367.08093	93.8
368.08380	1.5
375.08557	1.1
379.07904	1.8
385.09146	48.3
386.09595	1.0
391.08234	1.2
403.10217	100.0
405.09573	1.8
409.09137	2.0
423.10590	1.6
427.10190	1.0
445.11877	0.8
447.11108	0.7
459.11731	0.7
469.11246	1.3
477.12149	1.3
495.12735	4.5
513.13672	4.5
531.14935	1.4
549.21979	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.16
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
50.04768	0.6
55.01875	1.9
57.03436	4.7
59.04984	0.6
69.03424	0.7
70.26093	1.2
70.26499	1.8
71.04994	28.0
75.04465	0.8
83.04960	1.0
85.02902	29.1
87.04443	0.9
98.20883	0.6
119.04910	1.7
121.02860	10.4
129.05495	4.7
131.04933	0.8
141.01828	0.7
145.02856	2.8
163.03891	3.4
165.01810	5.8
167.03421	1.6
177.01866	1.1
179.03415	1.6
181.05034	1.0
183.02917	2.5
186.48003	0.6
187.03955	1.0
191.03334	0.8
193.04958	0.7
195.02965	1.3
202.17488	0.7
203.03395	2.5
221.04469	1.2
229.04994	1.2
231.02870	0.8
239.07144	0.8
243.55034	0.6
249.03896	2.0
267.06473	4.6
270.05200	1.8
271.06064	5.7
279.06607	1.8
281.08136	8.6
283.06009	64.7
284.06763	6.9
285.07516	1.1
293.08179	3.5
295.06049	10.0
297.04221	1.4
297.07532	11.2
305.07993	1.5
307.06052	4.5
308.06805	0.6
309.07556	28.3
311.05713	1.2
311.09079	4.6
313.07043	47.8
314.07376	1.0
321.03723	1.3
321.07568	34.1
325.07031	6.5
337.07037	55.9
339.08566	3.7
343.08157	1.2
349.07056	33.4
367.08121	69.9
385.09177	25.3
403.10226	100.0
434.79126	0.7
495.12540	0.7
549.15820	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	549.1603
Annotation	Mollupentin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
50.44057	2.1
50.53793	2.4
51.30068	2.3
57.03428	4.6
59.65087	2.2
67.25207	2.1
69.03423	33.0
69.75203	16.3
79.05490	3.9
81.03406	3.0
81.07040	2.9
85.02895	16.5
85.07655	6.1
85.45852	2.2
91.05476	3.8
93.07047	2.8
94.06596	2.3
97.02866	7.5
105.07059	3.2
107.04967	3.7
109.02846	2.7
110.06037	4.0
119.04952	8.6
119.08633	2.4
121.02862	39.8
123.08070	4.6
127.03896	3.7
133.06424	2.2
137.05983	7.2
138.05501	62.7
139.05838	23.3
143.08578	2.5
145.02806	3.9
145.04929	3.6
151.07581	3.8
153.12723	3.7
161.05873	3.1
163.03915	3.4
167.06976	3.5
175.03897	3.5
187.03828	2.7
191.03450	3.2
193.04912	3.3
195.02925	7.1
201.05481	2.7
203.03487	14.6
205.05043	2.6
207.02899	8.3
207.13835	15.5
209.04373	2.6
215.03481	4.1
217.04901	4.4
219.02864	4.1
221.04495	8.6
225.14923	3.4
227.03322	2.6
229.04930	4.7
233.04451	5.8
255.06511	3.1
257.04276	3.5
267.06503	4.8
273.03830	3.1
279.06595	7.0
280.07108	3.5
281.08224	4.4
283.05939	7.8
292.07288	5.0
293.07935	5.4
294.05322	16.0
294.08148	2.6
295.06033	51.2
297.07602	9.9
301.07040	3.2
305.07901	3.2
307.06024	45.4
307.09430	3.8
308.06815	14.9
309.04544	2.5
309.07492	13.8
313.07059	4.2
317.08325	3.1
319.06104	5.1
320.06845	8.2
321.07605	49.4
322.08325	8.2
323.09119	7.3
325.07050	50.7
325.10892	2.7
329.08206	3.7
331.06094	2.7
333.07590	19.9
334.08328	6.2
335.05444	5.1
335.09134	18.2
336.06131	4.6
337.07056	47.4
339.08469	4.4
345.07559	12.9
347.09030	14.3
349.07022	49.9
349.10233	2.6
350.07465	2.7
351.08658	25.2
355.08096	3.3
359.08923	5.4
361.07004	20.4
361.10794	3.3
362.07568	3.3
363.08679	24.1
365.10214	3.1
367.08102	13.1
373.06897	13.3
373.11249	3.2
375.08633	25.3
377.10349	3.2
379.08081	45.8
387.08630	14.8
389.10062	5.5
391.08115	47.2
393.09653	26.4
397.09143	3.9
401.10489	3.4
403.07773	12.4
405.09747	19.0
409.09198	55.4
411.10715	29.5
413.10101	7.2
415.07983	11.3
417.09970	3.7
421.08893	5.0
423.10941	11.0
427.10263	34.3
429.11060	7.9
431.11334	5.4
433.09030	15.6
441.11343	10.7
445.11517	5.3
447.10803	14.4
451.10257	9.6
459.10922	20.3
465.11734	33.0
469.11377	13.3
477.11765	22.0
483.12857	52.5
495.12891	100.0
513.13928	94.9
531.14911	37.3
549.15393	11.1
549.22302	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.6
54.68900	3.1
54.94462	3.2
55.05502	14.1
57.03424	15.1
58.67475	3.5
61.02929	6.3
64.91269	3.6
67.05502	39.5
69.07062	13.8
69.37518	12.6
69.37931	27.5
71.04958	4.8
72.22656	3.4
79.05489	35.5
81.07049	41.6
83.04958	4.6
83.08614	8.7
85.02894	8.1
85.06549	7.0
91.05457	31.9
93.07034	53.1
95.04959	10.2
95.08595	43.0
97.02872	5.0
97.06499	6.0
97.10188	4.1
99.08046	4.1
105.07016	33.9
107.08571	34.0
109.10148	15.4
111.08083	7.2
113.09652	3.4
117.07018	15.1
119.08570	37.2
121.10121	29.1
123.11683	10.3
126.86245	3.6
127.03885	4.9
129.07045	7.6
131.07004	4.7
131.08551	13.5
133.10127	25.2
135.11679	26.1
137.09622	6.1
145.10086	17.7
147.11668	20.3
149.13280	10.4
151.11143	4.2
157.10155	5.3
159.11676	21.8
161.13258	17.9
171.11716	8.9
173.13310	12.3
175.14864	7.5
177.12737	6.2
177.84651	3.8
185.13235	7.2
187.14803	10.2
201.16354	5.0
205.15924	4.8
213.16367	4.6
219.17506	5.6
221.18970	4.2
229.14273	5.0
241.19539	15.9
259.20554	48.1
269.17661	9.0
277.21643	39.4
323.00388	3.6
333.24182	5.3
351.25232	100.0
369.26810	4.1
422.12622	3.8
469.20465	4.0
539.72418	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	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74390	1.6
53.03935	2.2
55.05510	12.9
57.03433	15.6
58.80464	1.5
61.02908	3.4
67.05167	3.0
67.05501	38.3
69.03410	2.5
69.07068	10.3
69.89436	8.4
71.04978	4.2
79.05052	2.7
79.05489	34.9
81.03395	1.7
81.07051	41.8
83.04988	3.1
83.08620	8.3
85.02896	5.2
85.06520	3.6
91.03972	2.3
91.05470	27.3
93.06464	2.9
93.07034	47.3
94.23590	1.5
95.04955	3.6
95.08604	39.8
97.02872	4.9
97.06525	3.4
97.10166	3.7
99.08076	2.9
105.07024	30.0
107.08588	28.5
109.06505	4.7
109.10167	14.5
111.08076	3.3
112.12546	1.2
117.07021	9.2
119.08570	26.9
121.10134	29.2
123.08045	3.7
123.11689	3.0
125.09647	3.7
125.38384	1.6
127.03895	1.8
129.06989	4.1
131.08560	17.9
133.10121	25.7
135.11676	22.8
143.08559	5.1
145.10109	13.4
147.11678	17.3
149.13243	11.8
151.11171	2.0
157.10124	5.0
159.11688	14.8
161.13257	9.4
161.14432	1.5
163.11147	2.4
163.14771	2.1
171.11676	4.2
173.13188	7.7
175.14818	4.7
177.12750	4.6
185.13217	7.9
187.14769	9.2
199.14789	3.4
201.16379	3.9
203.17982	1.8
205.15906	3.8
213.16391	1.5
221.19063	2.6
227.01212	1.5
229.14339	1.8
231.17397	1.7
231.21025	2.5
241.19514	14.7
259.20569	31.4
269.17468	5.2
277.21576	28.2
333.24271	5.8
351.25262	100.0
369.26089	2.5
452.08267	1.7
477.28333	2.1
495.29385	1.7
513.30322	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05510	19.7
57.03425	5.6
57.07068	2.6
65.03944	2.3
65.83080	1.3
67.05503	59.9
69.07066	14.5
69.48199	2.4
69.48537	12.7
69.57230	1.2
71.04978	4.3
71.08623	1.9
72.13877	1.2
79.05489	27.9
81.03414	26.3
81.06572	3.3
81.07054	57.0
82.07395	1.7
83.04976	6.3
83.06699	1.3
83.08624	13.4
85.02892	14.0
85.06552	2.1
91.05480	23.5
93.07037	23.0
95.04965	12.3
95.08607	37.8
97.06544	3.6
97.10174	5.5
99.08078	2.7
104.21219	1.5
105.07030	19.9
105.07674	2.2
105.55573	1.3
107.04935	2.8
107.08594	12.6
109.06533	3.0
109.10143	12.9
111.04431	1.5
111.08084	7.2
111.11623	1.5
113.46387	1.7
115.81194	1.3
117.07028	2.6
117.10166	1.3
119.08578	16.6
121.10155	12.6
123.08077	1.9
123.11729	7.7
125.09645	2.1
129.07019	5.5
131.08533	7.6
133.06483	1.7
133.10139	9.7
135.11710	5.6
137.13312	2.7
142.07732	1.7
145.10129	3.5
147.08058	2.2
147.11705	11.3
149.09561	3.2
149.13341	2.0
157.10153	6.2
159.11745	2.2
160.27910	1.4
160.85925	1.6
161.13226	2.3
163.14851	3.2
165.12817	1.8
173.13260	1.7
175.11183	8.0
189.16478	1.4
193.12236	25.2
197.13329	2.2
211.13289	31.1
227.12704	2.0
263.23874	4.3
267.15881	7.6
285.16782	2.0
295.06024	1.8
303.26865	1.8
337.27145	3.1
393.98737	1.7
406.30164	2.6
455.35574	2.3
483.08377	1.6
511.37762	1.8
529.38831	13.9
547.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01876	1.8
55.05507	18.2
56.09268	0.8
57.03434	4.1
57.07077	4.8
57.88669	0.9
63.75264	0.9
65.03938	2.9
65.32281	0.9
67.05499	59.0
69.07060	20.6
70.67149	1.1
70.67523	3.5
71.04988	3.2
71.08642	1.9
71.50617	0.9
79.05486	26.3
81.03420	2.8
81.07049	93.2
81.72064	1.0
83.04994	4.9
83.08609	14.2
85.06548	3.4
91.05471	23.9
91.06004	1.8
93.07035	26.0
95.04980	4.6
95.08598	44.2
97.06508	5.0
97.10162	5.6
99.08105	3.6
101.05984	1.1
105.07022	25.6
107.08584	17.6
109.06548	3.8
109.10139	16.6
109.10793	1.1
111.08076	2.4
111.11704	1.1
117.07020	2.1
119.08574	23.1
121.10126	18.3
121.10914	1.7
123.08124	2.9
123.11692	23.2
123.12540	1.5
125.09692	1.5
129.07112	1.5
131.08571	5.3
133.10094	5.6
135.11690	4.8
137.09624	1.5
137.13278	3.3
140.64752	1.1
141.09320	1.2
143.08630	1.3
145.10173	3.5
147.11676	43.4
149.13319	3.9
157.10153	1.8
159.11717	1.9
161.13297	3.0
163.14876	2.5
165.12752	21.9
171.11819	1.2
175.14876	2.0
177.16516	1.4
181.10208	1.2
182.40343	1.0
183.13905	3.8
185.13301	1.2
187.14883	1.6
189.16667	1.0
193.12268	1.3
229.14346	5.2
233.13475	1.1
245.22719	2.5
261.22253	2.1
263.23660	7.2
267.15894	58.3
269.17581	3.5
285.17035	3.9
335.25873	2.2
455.35275	2.6
473.35791	1.3
529.38617	10.4
547.40033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
53.53255	0.7
55.01866	1.7
55.05259	1.1
55.05511	18.7
56.69678	0.7
57.03434	2.8
57.07067	3.4
59.17837	0.7
65.03937	1.9
67.05505	64.0
69.07066	20.8
70.03401	4.3
71.04987	3.0
71.08655	1.3
79.05492	26.6
81.03436	1.8
81.07056	100.0
83.04985	5.5
83.08622	13.2
85.06542	5.0
89.06019	0.8
91.04897	1.0
91.05479	23.8
93.07046	22.8
95.04985	3.9
95.08607	43.4
95.15733	1.0
97.06533	5.9
97.10176	4.8
97.18245	0.8
99.08111	2.9
105.07035	28.1
107.08591	14.7
109.06507	3.9
109.10158	15.4
111.08093	1.9
113.06046	1.0
117.07006	1.2
119.08589	22.9
121.10149	20.9
123.08078	3.8
123.11707	24.1
127.07595	2.5
131.08553	1.6
133.10139	5.1
135.11696	4.3
137.09642	1.0
137.13275	3.7
145.10115	2.2
147.11685	45.2
149.13301	2.3
151.14786	1.1
159.11673	1.2
161.13243	1.2
163.14862	2.3
165.12740	22.7
165.16444	1.1
173.13271	0.9
175.14851	1.7
183.13834	3.7
189.16493	1.0
193.12260	2.1
211.13451	1.0
229.14398	5.2
245.22623	3.9
263.23715	7.5
267.15918	56.6
285.17096	2.3
298.48215	0.9
308.91650	0.8
309.15384	0.8
319.26492	1.0
337.27600	1.1
347.08298	0.8
437.34088	1.6
455.35394	1.5
473.36444	1.0
529.38916	5.0
547.40051	75.9
548.39960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03414	0.6
61.02925	0.3
67.05492	0.6
68.99759	0.3
69.03423	0.6
70.95907	0.4
71.04980	0.4
73.02881	0.2
79.05482	0.4
81.03386	0.6
81.07050	0.9
83.04979	0.2
85.02905	2.4
91.05457	0.3
93.07022	0.4
93.33746	0.2
95.04947	0.3
95.08587	0.4
97.02898	0.7
105.07047	0.5
107.04980	0.3
107.08586	0.5
109.02882	0.4
109.10156	0.5
119.08573	0.4
119.11471	0.2
121.06482	0.4
121.10152	0.3
123.04417	0.3
123.08060	0.3
123.11660	0.2
127.03912	0.5
129.19769	0.2
133.02846	0.2
133.06442	0.3
134.03630	0.9
137.05984	0.9
147.04361	0.5
149.06004	0.3
151.03935	0.4
157.10149	0.3
161.05919	0.2
167.07068	0.3
175.03864	0.4
175.07507	0.3
176.00964	0.3
177.05603	0.4
191.03502	0.3
191.89731	0.2
194.02132	0.4
201.05447	0.6
203.03366	0.7
207.06467	0.3
218.05821	0.4
219.06519	0.5
221.04372	1.9
233.09673	0.2
236.06844	0.8
241.04849	0.3
251.06982	0.3
253.08598	0.3
254.05637	0.2
261.09143	0.3
265.05051	0.5
265.08313	0.2
269.08081	0.4
270.05246	0.3
277.08591	0.4
278.09213	0.3
279.10300	0.3
281.05118	0.2
281.08130	1.2
282.05240	0.4
284.06549	0.2
285.07602	0.2
289.08728	0.3
292.07208	0.3
293.04364	0.4
293.11835	0.3
295.06000	1.0
295.09555	0.5
296.10529	0.4
297.07617	1.4
298.04730	4.1
299.09152	0.8
301.07147	0.6
306.08694	0.4
307.09494	0.5
309.04041	0.4
309.07556	2.5
310.04703	0.7
311.05219	0.2
311.12692	0.4
313.07047	12.2
317.08105	0.8
319.06113	0.4
320.06689	0.5
321.07501	0.3
321.11075	0.3
323.05429	0.9
323.08990	0.3
324.06171	0.8
324.09979	0.4
325.07043	2.9
325.10739	0.9
327.08405	0.3
327.12155	0.4
333.07678	0.4
334.08218	1.0
335.09158	0.9
337.07037	5.6
337.11063	0.3
338.07877	1.5
339.08847	1.1
339.12265	0.9
349.10721	2.7
351.08481	0.8
352.09381	8.6
367.11743	100.0
368.11923	1.2
369.13199	0.3
385.12790	2.1
529.16547	1.2
546.33295	1.4
547.20697	0.7
547.34045	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	547.1807
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
54.27875	0.2
56.96567	0.2
57.03408	0.2
61.02913	0.4
67.05497	0.4
67.22898	0.3
68.67352	0.2
69.03418	1.2
69.07084	0.2
71.60872	0.3
73.02928	0.3
77.31980	0.2
79.05502	0.2
81.03413	0.4
81.07027	0.7
84.08138	0.2
84.21278	0.2
85.02467	0.3
85.02905	2.3
85.06510	0.2
86.71400	0.2
91.05464	0.3
93.07045	0.3
95.04984	0.3
95.08620	0.4
97.02882	1.1
97.06458	0.2
105.07014	0.4
107.04940	0.3
107.08570	0.5
108.10255	0.2
109.10160	0.3
110.64182	0.2
112.44320	0.2
117.38691	0.2
119.04979	0.3
121.10107	0.3
123.04443	0.2
127.03883	0.4
131.04990	0.3
133.06465	0.2
134.03601	0.5
137.05914	0.6
137.58524	0.2
145.02907	0.2
145.04916	0.6
147.04445	0.2
147.11671	0.2
151.03868	0.3
151.07491	0.3
158.63918	0.2
161.02469	0.2
165.05472	0.2
167.07001	0.5
169.24551	0.2
175.03915	0.4
176.00882	0.2
177.01807	0.3
177.05473	0.3
181.05035	0.3
191.03545	0.2
194.02177	0.2
197.05820	0.3
200.04741	0.3
201.05412	0.8
203.03397	0.8
207.06512	0.5
208.03725	0.2
221.04459	1.5
236.06787	0.5
241.04782	0.2
253.05092	0.3
253.08600	0.3
261.09000	0.4
263.07025	0.3
265.05093	0.4
265.08734	0.3
267.06537	0.8
269.08008	0.5
270.05264	0.3
277.08542	0.5
277.70932	0.2
278.09174	0.3
281.05270	0.2
281.07919	1.1
282.05194	0.7
289.08755	0.5
291.06601	0.3
292.07169	0.5
293.04633	0.4
293.08105	0.3
295.06049	1.0
295.09613	0.7
296.10464	0.5
297.07495	1.3
298.04709	5.5
301.07111	0.4
303.92978	0.2
306.08804	0.2
307.09543	0.6
309.07523	2.9
310.04831	1.2
311.09164	0.5
313.07047	12.6
317.08044	0.5
320.06857	1.0
321.07510	0.3
321.11215	0.2
323.05444	0.7
323.08990	0.4
324.06165	0.6
324.09869	0.4
325.07056	2.8
325.10699	0.9
327.08585	0.4
333.07669	0.4
334.08353	1.7
335.09149	0.8
337.06998	6.8
338.07831	1.5
339.08600	0.9
339.12427	0.7
349.10727	3.1
349.14777	0.2
351.08560	0.9
352.09421	9.6
367.11743	100.0
368.11987	1.3
385.12747	2.7
529.16901	1.4
546.33221	1.0
547.19421	0.6
547.34082	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
57.03426	2.7
59.04985	2.3
59.35137	1.4
64.00285	1.4
69.03421	4.7
69.07053	8.1
69.77805	3.9
69.78224	6.6
73.02907	2.7
79.05479	2.3
81.03402	3.2
81.07035	5.0
83.05000	2.7
84.08137	3.5
85.02909	5.7
89.06034	5.3
91.05466	5.6
93.07035	2.5
95.04942	3.4
95.08569	3.9
97.02898	3.3
99.13509	1.6
103.05468	2.3
105.07043	2.7
105.25815	2.1
107.04953	3.4
109.02882	2.3
109.06480	2.2
109.10115	2.1
111.04475	2.0
119.04939	8.9
119.08604	1.9
121.02857	26.3
121.06510	3.1
123.04449	2.2
131.04842	1.7
133.06410	1.6
133.08601	2.9
133.10097	1.8
135.04414	1.6
137.05972	11.4
145.02881	5.9
145.10165	2.2
147.04395	3.6
151.07561	3.7
161.05992	3.3
163.03935	1.9
163.07455	1.6
167.07056	3.3
175.03897	2.5
175.07597	3.0
177.09253	1.9
179.03340	3.1
181.04906	1.6
189.01872	4.0
191.03358	5.8
191.07059	2.2
193.04872	2.1
195.02885	6.8
199.03838	2.6
201.05464	4.2
203.03403	12.3
203.05069	2.7
205.04951	3.6
207.02841	7.1
207.06517	4.0
213.62715	1.6
215.03368	8.0
217.01273	1.8
217.05072	3.4
219.02905	4.1
219.06516	1.8
221.04425	6.9
233.04411	5.9
239.14864	2.2
243.02811	4.4
245.04474	2.1
261.03912	3.4
268.07333	3.7
273.03937	2.8
279.06677	2.8
283.06027	17.9
285.07437	3.1
292.07355	2.0
293.08118	4.6
294.05243	6.2
295.06003	53.3
295.09341	2.9
296.06766	5.5
297.07623	12.8
299.09131	7.1
305.08008	2.1
306.09015	2.7
307.06000	47.3
307.09512	3.6
308.06732	9.0
309.07513	25.6
310.07919	2.0
311.05411	1.8
311.13083	2.0
312.06253	5.1
313.07056	8.0
317.08136	5.7
319.05957	6.8
320.06720	6.2
321.03793	3.9
321.07504	45.5
321.11166	3.4
322.04767	2.0
322.08258	5.8
323.05630	3.6
323.09119	5.8
324.06210	3.0
325.07028	43.5
329.08121	2.3
332.53259	2.1
333.07581	37.0
334.08356	4.4
335.05341	4.6
335.09158	15.5
336.06216	4.6
337.07086	28.1
345.07419	11.6
347.09064	2.5
349.07001	43.0
349.10675	2.9
349.25754	6.3
350.07770	5.2
350.26099	2.7
351.08539	16.7
352.09317	2.3
353.06647	9.5
360.06363	3.0
361.07022	34.5
362.07675	2.1
363.08560	17.9
367.08258	4.1
367.11768	69.3
373.06851	11.8
375.08548	6.7
377.06192	7.9
378.07275	4.0
379.08072	36.1
385.12799	5.0
390.07120	2.4
391.08032	58.2
393.09738	3.8
395.07455	2.3
403.08081	5.9
407.07446	6.7
408.08621	2.1
409.03711	2.2
409.09134	43.7
417.09625	3.4
419.07065	2.3
421.09259	10.0
426.09686	2.1
427.10248	21.7
429.09775	4.8
433.09067	2.3
435.10773	3.2
439.10214	10.6
447.10651	6.3
457.11163	14.4
463.10284	15.2
475.10196	18.4
481.04242	4.3
481.11252	89.7
493.11224	58.0
511.12357	100.0
529.13251	30.2
546.33038	5.5
547.14001	12.1
547.26434	2.5
547.34357	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66401	1.7
55.01856	6.5
55.05501	2.0
56.87808	1.2
57.03445	3.2
65.03933	1.6
67.05483	2.1
69.03436	4.8
69.07053	4.3
69.35181	17.0
71.05000	2.9
73.01655	1.4
73.02902	2.0
75.04475	2.2
79.05482	3.0
81.03423	2.9
81.07054	5.5
83.04958	2.4
83.64356	1.7
85.02889	7.8
85.07652	5.0
86.09650	1.8
91.05476	5.5
93.07035	2.9
95.04986	3.8
95.08612	4.5
97.02914	3.1
97.06531	2.4
98.01879	1.5
98.21528	3.7
100.27290	1.4
105.07038	4.0
107.04971	2.7
107.08589	2.5
109.02879	2.4
109.06526	2.1
111.04414	2.4
115.03941	1.6
119.04935	10.3
121.02864	31.4
121.10176	3.2
123.04411	3.7
123.11684	1.8
127.03975	3.2
131.04869	2.2
133.10127	3.5
135.04355	1.7
135.08145	1.6
137.05997	8.2
139.67377	1.5
145.02861	6.3
147.04431	4.8
147.11678	2.3
151.07539	2.0
159.11719	2.0
161.05939	2.6
163.03896	2.1
167.07042	4.2
175.03952	4.5
175.07484	2.2
177.01807	1.8
177.05507	3.3
179.03380	2.1
179.06924	1.8
183.06421	1.6
189.01813	2.8
189.05437	2.0
191.03400	5.4
193.04991	1.7
195.02907	6.6
201.05560	5.4
203.03365	8.7
207.02905	8.8
207.06468	7.5
215.03378	3.3
215.07004	4.3
217.04979	5.1
219.02893	6.0
221.04456	4.0
231.02887	4.1
233.04469	1.9
237.05580	2.4
239.07121	2.1
245.04480	2.2
255.06628	2.2
257.04526	4.3
265.08536	3.3
266.05939	1.6
268.07349	4.2
273.03979	2.2
279.06628	3.5
281.08017	3.4
283.06015	11.5
292.07349	3.0
293.08069	5.1
294.05298	11.2
294.08533	3.2
295.06006	44.7
295.09421	3.6
296.06784	5.2
297.07678	9.3
299.05826	3.4
299.09103	25.0
305.08203	2.2
307.05991	34.5
307.09464	4.1
308.06827	9.4
309.04181	3.0
309.07462	28.8
310.08652	1.8
311.05566	7.5
311.08643	2.1
313.07178	4.3
317.08145	4.4
319.06061	5.8
320.06512	7.5
321.07523	33.5
322.08469	5.9
323.05457	7.6
323.09283	6.2
325.07056	41.2
325.10580	3.7
326.07901	1.9
327.12314	7.0
329.08136	3.8
333.07507	18.1
334.08444	6.7
335.05438	8.2
335.09192	22.9
336.06140	2.8
337.07010	46.6
337.11047	2.3
339.08667	6.4
341.06537	2.4
345.07578	14.2
347.05469	3.4
347.09192	6.6
348.06287	3.5
349.07068	31.6
351.08548	19.2
353.06564	4.5
353.10300	7.6
355.08105	4.3
361.06998	24.6
361.10690	1.5
362.08096	2.3
363.08600	27.0
365.06436	17.4
365.09991	2.1
367.08078	4.4
367.11841	5.6
369.13580	2.9
373.06934	19.0
374.22171	1.8
375.08636	13.3
377.06409	9.5
377.10681	1.8
379.08078	34.5
381.09491	2.2
385.12946	12.8
387.14243	2.4
389.06183	2.4
391.08093	58.2
393.09631	5.3
395.07642	7.1
401.10443	2.2
403.08170	7.2
406.17734	1.8
407.07355	2.7
409.09152	54.0
415.10278	2.3
419.07300	18.2
421.09265	5.8
427.10263	24.3
429.09894	2.5
431.07343	11.0
437.08594	3.9
439.10110	9.6
447.10831	8.2
449.08728	10.8
457.11325	16.4
463.10147	14.0
465.11798	4.1
467.09720	3.6
475.10132	7.4
481.11307	76.9
493.11267	58.3
511.12326	92.2
529.13287	26.8
546.33240	17.6
547.14508	10.9
547.26648	6.8
547.34467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1443
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
55.01866	3.7
55.40594	1.4
70.72398	3.3
70.72787	2.7
85.02895	1.7
89.06042	7.8
93.03381	1.3
95.05021	1.5
97.78410	1.6
107.04985	1.8
110.48935	1.6
119.04929	5.5
121.02853	23.9
128.52054	1.5
133.08614	5.0
145.02831	3.5
147.04333	2.1
163.03854	2.9
175.03821	2.0
179.03360	2.3
189.01807	2.5
191.03363	3.7
195.02979	3.4
199.03889	1.8
203.03401	6.2
205.01260	2.8
205.04964	1.8
207.02904	6.8
209.04445	2.0
215.03371	4.7
217.04967	3.1
219.02850	5.1
221.04443	2.6
223.02432	2.0
229.05098	1.7
231.02859	3.1
233.04491	1.9
235.06078	1.6
242.47226	1.7
247.02313	1.7
253.20758	1.5
255.02835	1.9
257.04480	3.4
268.07303	2.5
273.03915	2.0
279.06537	3.7
283.06018	5.1
291.06522	1.6
293.08054	3.2
294.05219	7.2
295.05991	47.3
295.09329	2.9
296.06650	3.3
297.07520	6.0
305.08035	1.9
306.08832	2.5
307.05972	19.3
307.09158	2.7
308.06775	7.4
309.03906	4.1
309.07529	19.6
310.04745	6.1
311.05493	5.9
317.08047	3.4
319.06058	6.4
320.06836	6.8
321.07559	28.3
322.04688	2.7
322.08051	3.7
323.05521	27.5
323.09113	4.1
324.06223	3.8
325.07059	27.6
331.06058	1.8
332.06982	1.7
333.07513	16.5
334.08426	3.1
335.05371	5.6
335.09177	14.7
335.27145	1.9
336.06271	3.8
337.07022	31.1
339.08719	2.7
341.06577	4.0
345.07715	7.9
346.08487	2.1
347.05380	2.7
347.09271	2.1
348.06265	1.9
349.07068	27.9
349.10919	3.0
351.05130	2.2
351.08636	12.6
353.06461	13.4
355.08154	2.9
357.07596	2.3
361.07025	23.1
361.10843	2.1
363.08661	13.7
365.06500	18.4
365.10458	1.9
367.08078	3.3
373.07062	9.8
375.04572	2.7
375.08649	9.1
377.06555	21.0
379.08154	24.5
389.06241	9.2
391.08084	27.2
393.09866	2.4
395.07684	3.6
397.08899	1.8
401.10394	2.6
403.08206	5.3
406.06717	1.9
407.07541	33.8
409.09216	24.5
419.07422	11.4
421.09021	7.8
427.10138	13.4
429.09464	3.2
431.07556	4.9
435.10864	1.8
437.08591	3.3
439.10461	7.3
447.10712	2.2
449.08679	5.8
457.11197	19.2
463.10138	7.1
475.09961	3.5
481.11279	86.2
482.12122	1.8
493.11270	29.9
511.12338	100.0
512.12579	2.3
529.13409	26.6
547.14197	16.9
547.21289	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01879	1.8
55.05257	1.2
55.05508	14.8
57.03436	6.9
57.07054	2.2
65.03925	2.7
67.05502	34.9
69.03422	2.1
69.07059	8.5
71.04985	3.8
75.97971	0.6
77.03945	0.8
79.05491	31.1
81.03410	26.2
81.07051	31.6
83.04975	5.2
83.08617	12.2
85.02897	12.5
85.06535	1.7
91.05474	23.7
93.07037	32.6
95.04965	15.8
95.08599	19.8
97.02853	1.0
97.06530	3.8
97.10166	5.5
99.08028	0.7
105.07023	18.9
107.04958	2.8
107.08582	15.8
109.06498	4.5
109.10155	8.2
111.04481	1.0
111.08051	4.8
113.06011	1.7
115.05500	1.3
117.07041	5.2
118.20979	0.7
119.08573	15.5
121.06500	2.0
121.10126	15.1
123.08086	1.7
123.11679	3.5
125.09649	3.5
127.07536	0.8
129.06996	6.4
131.08566	10.8
133.06563	1.0
133.10115	10.3
135.11679	7.3
137.09599	1.1
142.07800	0.9
143.08549	2.8
145.10112	7.2
147.08054	1.0
147.11674	9.2
149.09624	2.1
149.13272	2.4
151.11174	1.0
155.08693	0.8
157.10126	7.5
159.11707	4.4
161.13246	4.3
163.11241	1.0
165.12749	1.5
169.10094	1.5
171.11588	1.6
173.13268	2.0
175.11171	6.9
175.14784	1.4
183.11696	1.6
185.13217	2.0
187.14821	2.3
189.11224	2.0
189.16382	0.8
193.12228	26.2
197.13266	0.8
199.14833	1.4
201.16420	0.9
211.13274	32.5
227.12808	2.6
243.21049	1.0
256.07648	0.8
261.22174	3.6
267.15814	5.4
269.17361	0.9
285.16849	1.3
285.22256	1.4
301.21729	1.1
301.25198	2.5
317.24738	1.2
335.25803	3.2
359.25891	1.0
417.31570	1.1
435.32755	3.9
453.33258	3.5
471.34686	1.5
509.36096	1.5
527.37323	16.4
545.38342	100.0
546.38348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01860	3.1
55.05259	1.4
55.05509	19.6
56.80943	1.1
57.03439	7.3
57.07071	1.8
64.61527	1.1
65.03925	2.7
65.44706	1.0
67.05501	43.1
69.03411	1.8
69.07069	13.1
70.20067	4.8
71.04977	3.1
79.05487	40.9
81.03411	27.7
81.07053	39.8
83.04988	6.8
83.08616	15.0
85.02904	13.6
85.06553	1.4
91.05480	31.5
93.07037	38.9
95.04960	19.7
95.08598	23.4
97.02906	1.0
97.06525	2.7
97.10155	5.2
102.56148	1.1
105.07018	23.3
107.04951	3.0
107.08585	17.1
108.42956	1.2
109.06503	3.1
109.10149	11.2
111.04462	1.7
111.08090	5.8
113.05984	1.8
115.05431	2.0
117.07007	5.4
119.08573	22.0
121.10143	17.7
123.08079	2.1
123.11672	3.2
125.09623	3.1
129.07010	6.1
131.08562	13.6
133.06488	1.4
133.10127	13.0
135.08035	2.2
135.11668	8.4
137.09618	1.7
137.13228	1.7
142.07834	1.9
143.08572	2.6
145.10121	9.1
147.08040	2.0
147.11674	11.6
149.09613	4.0
149.13254	3.3
157.10080	7.7
159.11736	3.7
161.13246	3.0
165.12802	2.1
167.97124	1.3
169.10110	1.9
169.34073	1.1
171.11714	1.3
173.13301	3.6
175.04437	1.1
175.11192	6.2
175.14870	1.7
183.11577	1.1
185.13295	1.4
187.14815	1.4
189.11221	2.2
189.16476	1.4
193.12245	27.9
201.16324	1.3
211.13284	31.9
211.15248	1.9
220.88960	1.1
223.14906	1.1
227.12646	1.6
243.21034	1.4
261.22211	5.3
267.15976	5.7
285.22229	1.6
301.25262	3.3
335.25848	4.6
388.67136	1.1
435.32166	1.7
453.33508	3.6
471.34592	1.7
509.36014	1.3
527.37250	17.4
528.37573	1.3
545.38336	100.0
546.38556	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01862	5.6
55.05506	32.7
57.03438	8.5
57.07060	1.9
62.96751	1.2
65.03928	2.6
67.05500	51.1
69.03423	3.2
69.07069	13.1
71.04990	2.2
79.05486	33.6
81.03415	23.9
81.07055	50.2
83.04980	6.1
83.08617	18.5
85.06519	2.3
91.05474	28.7
93.06467	2.3
93.07042	34.1
95.04955	17.3
95.08600	34.0
97.06520	4.0
97.10166	18.1
98.88158	1.2
99.08070	2.2
103.05457	1.6
105.07021	27.8
105.07671	2.0
107.04942	6.1
107.08590	24.0
109.06527	5.5
109.10155	21.9
111.08089	4.2
117.07023	15.2
119.08570	24.2
121.06519	9.4
121.10133	14.7
123.08067	4.7
123.11662	6.1
125.09629	14.3
128.06175	1.4
129.07011	9.4
131.08551	20.5
133.06505	1.8
133.10126	17.3
135.08052	6.0
135.11670	10.5
135.31406	1.3
137.09639	2.7
137.13223	2.3
141.06958	1.5
142.07738	1.4
143.08545	6.7
145.06453	1.6
145.10107	15.3
147.08058	3.6
147.11678	13.9
149.09589	3.1
149.13254	5.8
151.11143	2.0
155.08540	3.7
157.10124	8.6
159.08063	2.3
159.11702	8.2
161.09605	2.8
161.13269	7.9
163.11176	3.7
163.14836	1.7
169.10188	3.6
171.10251	2.0
171.11719	6.0
173.09564	1.2
173.13228	8.1
175.11205	4.1
175.14828	4.4
183.11639	2.9
185.13269	5.0
187.11263	1.6
187.14819	4.0
189.11208	8.7
193.12274	9.4
195.11664	1.3
197.13275	1.4
199.14886	3.0
201.12672	2.0
201.16338	2.5
211.13278	3.0
213.12790	1.3
213.16301	1.2
221.15448	1.3
223.14880	1.6
227.12775	13.0
229.64694	1.6
243.15909	1.9
243.21106	2.6
247.16841	2.1
257.42691	1.4
261.22211	6.9
267.15909	21.2
279.23260	2.0
285.22192	2.0
287.19940	1.9
299.23679	2.6
301.25198	17.4
303.23190	2.1
317.24481	2.1
321.20697	1.4
335.25830	17.1
359.25815	1.9
403.25424	1.4
421.26089	3.2
435.27234	2.6
435.32614	7.7
453.33774	11.2
471.34552	8.1
509.36307	1.5
527.37292	57.8
545.38367	100.0
546.38519	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03930	3.6
55.01857	3.0
55.05507	17.7
55.41609	1.0
56.02981	1.0
57.03423	5.9
65.03944	2.8
67.05499	37.3
69.03410	3.5
69.07063	9.7
71.04983	4.2
77.03932	1.4
79.05484	35.5
79.05947	1.8
81.03410	29.4
81.06578	2.0
81.07050	37.2
83.04987	5.8
83.08615	12.9
85.02896	14.0
85.06541	1.3
89.08274	1.1
91.05477	27.1
93.07034	34.4
95.04958	17.5
95.08597	28.0
97.06507	3.0
97.10134	5.3
98.21503	3.2
105.07020	21.3
107.04934	2.6
107.08568	18.0
109.06537	2.9
109.10146	9.8
111.08054	4.2
117.07013	5.3
119.08575	14.5
121.10129	16.8
123.08046	3.3
123.11694	4.6
125.09635	4.2
129.07007	7.8
131.08559	12.4
133.06480	1.4
133.10114	12.0
135.11661	8.5
137.09631	1.5
141.07025	1.1
142.07736	2.0
143.08566	2.2
145.10088	7.4
146.07922	1.1
147.08058	1.8
147.11681	11.4
147.85361	1.1
149.09641	4.2
149.13235	4.0
157.10107	6.9
159.11742	5.2
161.13309	2.8
163.14842	1.4
165.12737	3.3
169.10040	1.4
171.11783	1.5
173.13245	3.4
175.11218	6.7
185.13356	2.2
187.14763	2.7
189.11107	1.7
193.12219	26.9
197.13258	2.5
205.85239	1.1
206.07942	1.1
211.13255	30.4
226.66112	1.1
227.12796	2.6
243.21182	1.4
261.22156	5.8
267.15921	6.6
285.22101	1.7
291.38599	1.3
301.25073	3.3
303.23276	1.3
335.25851	4.0
344.86902	1.1
435.32629	1.3
453.33673	3.0
471.34705	3.3
506.44449	1.4
509.36078	1.6
527.37201	15.8
545.38324	100.0
546.38416	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51368	0.9
53.03933	3.2
55.01850	3.3
55.05260	1.7
55.05507	24.1
57.03432	6.7
57.07063	2.2
57.39109	0.9
58.51707	1.0
58.52002	0.9
59.04980	1.0
67.05501	43.1
69.03401	2.9
69.06686	1.1
69.07060	10.4
70.01636	2.3
70.02058	2.8
71.04979	4.1
71.87681	1.1
76.48295	0.9
79.05488	33.4
79.05956	1.6
79.07104	0.9
81.03408	27.4
81.07050	41.6
83.04954	7.1
83.08605	13.5
85.02888	7.4
85.06515	1.5
91.05469	25.4
91.91499	0.9
93.07034	34.0
95.04960	18.2
95.08601	27.0
95.09081	0.7
97.02886	1.9
97.06509	3.8
97.10157	10.6
99.08093	1.3
101.58852	1.1
105.07020	22.1
107.04943	4.4
107.08579	22.4
109.06525	4.7
109.10152	15.5
111.08066	4.4
117.07008	9.1
119.08570	19.9
121.06482	4.4
121.10127	16.5
123.08068	3.3
123.11692	4.7
125.09611	7.7
129.06973	6.6
130.07774	0.9
131.08559	16.2
133.06396	1.3
133.09203	1.7
133.10126	13.9
135.08029	4.2
135.11671	8.3
137.09613	2.3
137.13164	1.6
139.11153	1.2
141.07005	1.6
143.08553	5.1
145.10103	9.2
147.08090	2.4
147.11671	10.8
149.09607	2.7
149.13260	4.9
151.11212	1.2
155.08566	2.2
157.10095	7.9
159.11668	7.3
161.13214	5.1
165.12723	1.7
169.10182	1.6
171.11684	3.5
173.13185	5.6
175.11174	4.6
175.14787	2.7
183.11732	2.0
185.13258	3.2
187.13281	1.5
187.14803	2.7
189.11249	5.8
193.12244	16.6
193.13853	1.5
197.13342	1.8
199.14853	1.1
201.16345	1.7
203.10452	0.9
209.13275	1.9
211.13258	18.1
213.16426	1.3
227.12691	5.6
233.15471	1.2
243.20961	1.7
252.67229	1.1
261.22086	8.3
267.15863	13.5
285.22171	2.4
287.19992	1.4
299.23843	1.3
301.25076	8.1
317.24655	1.9
327.23181	1.0
335.25781	10.3
417.31589	2.7
421.25769	3.1
435.27304	1.5
435.32608	3.6
453.33591	7.0
471.34741	4.6
501.34946	1.2
509.36182	1.6
527.37268	32.9
528.37476	1.1
545.38324	100.0
546.38794	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65617	1.0
53.03938	4.1
55.01857	1.7
55.05510	14.7
57.03435	7.1
60.72984	1.2
65.03932	2.6
67.05505	41.4
69.03424	2.1
69.07065	12.6
70.86223	3.0
71.04987	4.3
79.05493	36.1
80.56175	1.1
81.02969	2.1
81.03418	26.0
81.07057	39.4
83.04974	9.2
83.08612	10.4
85.02902	15.3
85.06537	1.6
89.96915	1.0
91.05482	32.9
93.07047	36.4
95.04971	17.9
95.08040	1.8
95.08608	23.1
97.02879	1.4
97.06545	3.8
97.10160	5.4
99.08067	1.8
99.38186	1.0
105.04511	1.0
105.07027	19.8
107.04949	6.8
107.08591	16.7
109.06534	2.8
109.10167	11.1
111.04473	1.7
111.08068	6.4
113.06032	2.4
115.05454	1.5
117.06321	1.1
117.06994	5.6
119.08575	16.4
121.06539	1.5
121.10153	16.5
123.08103	2.0
123.11715	4.6
125.09653	3.4
127.96600	1.1
129.07019	6.2
131.08560	13.6
133.06451	2.1
133.10135	10.7
135.08034	1.5
135.11690	8.1
142.07854	1.6
143.08575	2.3
145.10127	7.5
147.08072	2.6
147.11705	9.0
149.09616	2.5
149.13245	3.5
157.10152	5.8
159.11699	3.0
161.13301	2.7
163.11256	2.9
163.14807	1.5
165.12677	1.3
171.11726	1.8
173.13306	3.9
175.11234	5.9
175.12593	1.1
175.14853	1.7
185.13229	1.1
187.14842	2.5
189.11221	1.2
193.12262	27.7
211.13295	29.3
227.12825	1.9
227.46530	1.1
239.83009	1.1
240.27562	1.1
249.14923	1.3
261.22119	6.0
267.12625	1.8
267.15936	6.7
285.21893	1.5
301.25262	1.6
317.24738	1.5
323.18622	1.7
335.25851	6.0
435.32834	2.3
453.33725	2.1
471.35052	1.2
493.55157	1.0
527.37335	13.1
545.38367	100.0
546.38867	1.8
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
53.03941	3.8
53.90227	0.6
55.01859	2.7
55.05260	1.1
55.05507	16.7
57.03437	7.0
57.07062	1.2
61.65916	0.6
65.03934	2.2
67.05499	39.9
69.03413	3.3
69.07063	9.8
71.04990	4.6
71.36707	1.5
77.03962	0.7
79.05489	37.9
80.02433	0.7
81.03415	28.8
81.07052	41.4
83.04973	6.8
83.08612	14.4
85.02900	17.5
91.05474	32.0
93.07037	37.0
95.04961	17.9
95.08601	25.1
97.02897	2.0
97.06512	4.1
97.10160	6.7
99.08070	0.9
103.05518	0.9
105.07028	23.5
107.04933	2.2
107.08585	17.8
109.06525	3.1
109.10152	9.9
111.04420	1.3
111.08080	7.0
113.06029	1.4
115.05451	1.4
117.07042	6.8
119.04860	0.8
119.08572	20.8
121.06483	1.6
121.10128	17.7
123.08025	1.9
123.11666	3.5
125.09622	3.6
128.06238	0.9
129.07007	6.5
131.08548	13.8
133.06476	1.5
133.10103	11.4
135.08078	1.6
135.11687	8.0
137.09633	1.0
142.07809	1.4
143.08560	2.0
145.10107	7.4
147.08031	2.2
147.11688	11.3
149.09595	3.5
149.13263	3.7
155.08543	1.1
157.10127	8.1
159.11690	6.2
161.13289	3.3
163.14781	0.9
165.12758	3.3
167.08670	0.7
169.10115	1.1
171.11664	1.7
171.38618	0.7
173.13293	2.4
175.11160	5.4
175.14854	1.8
182.95558	0.8
183.11694	1.7
185.13316	1.6
187.14830	1.3
189.11227	1.7
193.12239	23.9
197.13290	0.8
199.14900	1.1
201.16389	0.9
211.13278	34.3
211.15216	1.9
227.12820	2.1
243.21181	1.0
259.20596	0.9
261.22171	5.2
267.15802	6.2
279.93710	0.8
285.17090	0.8
285.22189	1.7
301.25143	2.4
317.24881	1.3
335.25818	3.0
435.32632	3.3
453.33792	3.0
470.09329	0.7
471.34659	1.3
473.33817	0.9
509.36264	1.0
524.01538	0.8
527.37195	12.5
545.38354	100.0
546.38635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.96553	0.3
57.03436	0.3
67.05486	0.5
69.03436	0.6
69.07072	0.6
70.06581	0.5
71.05000	0.5
71.60637	0.3
71.61034	0.4
73.02908	0.2
75.49983	0.2
79.05486	0.7
79.64748	0.2
81.03393	0.4
81.07069	1.2
83.04986	0.4
84.08134	0.3
85.02912	0.9
85.06537	0.6
87.04437	0.3
91.05482	0.3
93.07043	1.0
95.04979	0.6
95.08624	1.0
96.18169	0.2
97.02861	0.5
97.06522	0.4
98.97582	0.6
105.07045	0.5
107.05006	0.4
107.08601	0.6
109.02846	0.2
109.06519	0.6
109.10126	0.5
116.98658	0.6
117.03195	0.2
119.08613	0.6
121.10202	0.6
123.08091	0.3
125.06013	0.4
127.03911	0.4
133.06528	0.4
133.10153	0.6
134.99672	0.4
137.05997	0.9
137.09657	0.3
139.11185	0.3
144.40247	0.3
145.10117	0.8
146.99754	0.2
147.04372	0.3
151.03839	0.3
159.11627	0.3
161.05978	0.3
161.09618	0.3
163.11189	0.3
167.07074	0.3
175.03955	0.3
175.07538	0.3
203.05174	0.3
207.06654	0.3
215.10771	0.3
237.02769	0.3
257.04221	0.3
276.99292	0.3
279.23233	0.3
357.29929	0.3
365.13910	0.3
365.26523	0.5
367.28406	0.6
383.14948	0.8
383.27597	0.7
413.11856	0.2
413.18173	0.4
431.19482	0.9
515.31915	0.8
528.19873	0.4
545.32941	100.0
546.33411	1.3
570.21063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65051	0.7
55.05507	1.6
57.07072	29.4
59.04987	0.7
67.05494	1.4
69.07073	3.8
71.08630	41.3
71.23561	0.9
73.01896	0.8
73.06557	7.8
78.85151	0.8
81.03405	2.1
81.07060	1.5
83.08619	1.2
87.04476	5.7
89.06028	100.0
91.05466	0.9
91.07605	0.9
93.07063	0.8
95.05009	1.0
95.08602	1.4
98.21536	1.5
105.07012	1.2
107.07069	5.2
109.10122	0.9
111.65276	0.8
113.13252	4.8
117.09124	8.4
119.08595	0.9
130.08611	4.0
131.07054	2.0
133.08598	47.5
157.15846	6.5
161.11725	1.1
165.70039	0.8
165.72675	0.7
171.07408	0.9
177.11227	23.9
198.18607	2.4
201.18495	14.3
221.13869	4.5
223.15559	1.0
239.14818	2.1
245.21106	10.1
283.17493	3.4
309.71100	0.8
327.19992	1.6
415.25360	3.5
439.32678	1.5
483.35541	1.1
527.37927	14.7
544.40363	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	543.3681
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	1.5
55.05260	0.7
55.05507	9.8
57.03435	2.7
57.07074	1.1
62.94324	0.4
65.03942	0.7
67.05504	14.3
69.03422	1.2
69.07063	5.3
70.06584	0.6
71.01065	1.2
71.01410	0.5
71.04977	1.2
79.05488	9.8
81.03414	3.8
81.07051	14.3
83.04970	1.8
83.08620	6.1
84.14591	0.5
88.07625	0.7
91.04961	0.3
91.05473	10.5
93.07037	10.6
95.04975	4.2
95.08605	7.4
97.06528	1.7
97.10168	6.0
105.03355	0.7
105.07022	9.7
107.04966	2.0
107.08582	6.3
109.06543	1.5
109.10140	6.1
111.08087	1.7
114.80548	0.5
115.05450	0.7
117.07017	5.7
119.08582	7.8
121.06509	2.2
121.10132	3.3
123.08073	1.0
123.11718	1.6
125.09596	3.8
128.06248	1.2
129.06995	5.9
130.07841	0.5
131.08556	10.4
133.06485	0.7
133.10129	5.8
135.08055	1.4
135.11725	2.4
137.09612	0.8
141.06938	2.5
142.00246	0.5
142.07848	1.4
143.08539	6.6
145.06467	2.1
145.10112	7.0
147.08095	1.1
147.11708	3.5
149.05991	1.6
149.09633	1.0
149.13278	1.5
150.06390	0.8
153.07124	0.5
154.07735	0.7
155.08568	3.8
156.09322	0.7
157.06529	1.0
157.10112	6.7
159.08061	1.7
159.11722	5.4
161.09624	1.9
161.13246	2.4
163.11171	1.0
165.07106	0.5
167.08595	1.1
168.35399	0.5
169.10143	4.4
171.08110	1.4
171.11691	5.5
173.09650	1.4
173.11949	0.7
173.13289	3.3
175.11209	1.2
175.14798	0.6
177.12730	0.7
179.08554	0.9
181.10176	1.7
183.08118	0.5
183.11658	2.8
185.09665	1.2
185.13258	4.2
187.11249	1.7
187.14853	1.9
189.11237	1.6
189.12723	1.1
189.16379	0.6
193.10182	0.6
193.12334	1.8
195.11778	2.2
197.13272	3.3
199.11230	0.8
199.14890	2.0
201.12766	1.4
203.14265	0.7
207.11751	0.7
209.13298	2.3
211.13203	0.8
211.14929	0.8
213.12883	0.7
217.15955	0.7
221.13406	0.7
223.14937	1.0
225.16380	0.9
227.12822	1.4
228.23279	1.2
229.14308	0.7
229.23616	1.1
235.14897	0.8
241.19685	0.9
243.15910	0.8
255.17615	0.7
257.18893	0.7
259.20541	2.4
267.15973	1.8
279.21259	0.6
283.17355	0.9
283.20468	1.1
297.18732	0.5
297.22211	1.5
299.23602	4.1
301.21625	1.1
313.21912	0.7
315.23248	1.2
333.24457	1.0
339.23193	1.1
341.10120	1.0
342.10663	1.1
353.24707	0.7
357.24365	1.1
405.31943	0.8
415.30157	1.6
421.26501	0.6
423.32639	1.6
433.30920	5.7
451.32083	7.9
469.33234	3.8
485.33182	0.6
487.34271	1.1
507.34735	1.5
515.37305	1.8
525.35742	15.5
526.35754	0.6
543.36914	100.0
544.37164	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	2.2
55.05506	14.4
57.03434	3.2
57.07074	2.1
65.03950	1.0
67.05502	20.4
69.03422	1.6
69.07063	5.9
70.06582	1.4
71.04984	1.1
71.08627	0.8
71.60742	0.7
71.61185	0.7
79.05489	14.4
79.05951	0.7
81.03410	5.4
81.07050	18.8
81.07508	1.0
83.04969	1.4
83.08611	7.0
85.02924	0.6
85.06538	1.6
88.07640	2.4
91.05475	14.3
91.06001	1.2
93.07038	14.4
95.04972	6.0
95.08607	10.5
97.06514	2.1
97.10159	6.5
102.09184	1.6
104.70490	0.6
105.03407	1.4
105.07023	13.1
105.07671	1.0
107.04957	2.2
107.08581	8.8
107.09185	0.8
109.06538	2.2
109.10152	7.0
111.08102	1.7
115.05389	0.7
117.07008	9.5
118.02240	0.6
119.08572	11.5
121.06523	2.5
121.10139	5.1
123.08107	1.4
123.11692	1.7
125.09620	3.0
128.06239	1.8
129.06990	7.1
131.08556	11.6
131.25067	0.6
133.06528	1.5
133.10112	6.6
135.08081	2.8
135.11729	2.5
141.06987	3.0
142.07806	1.7
143.08543	8.0
145.06508	1.6
145.10123	9.7
147.08115	1.9
147.11685	4.3
149.02397	1.0
149.05957	6.9
149.09666	1.7
149.13269	1.7
150.06361	2.4
154.07820	1.2
155.08554	4.2
156.09328	1.0
157.06680	0.9
157.10115	8.9
158.07256	0.8
159.08128	2.7
159.11678	7.1
159.12823	0.7
161.09660	1.2
161.13335	2.1
163.11224	1.1
163.14987	0.8
166.07750	0.5
167.08630	2.0
169.10120	5.8
171.08116	1.3
171.11691	7.2
173.09686	2.6
173.13216	5.2
175.11206	1.9
175.14857	1.5
177.12845	0.9
179.08600	0.8
180.09367	0.8
181.10149	3.6
183.11674	5.6
185.09715	1.3
185.13255	4.3
187.11234	1.9
187.13350	0.8
187.14908	2.2
189.11275	2.5
189.12784	1.1
193.05066	0.9
193.10239	0.8
193.12335	1.5
195.11699	3.2
197.09743	1.1
197.13184	2.9
199.11339	1.1
199.14894	2.5
201.12828	0.9
203.14308	0.8
209.13345	2.6
211.11259	0.6
211.14923	2.1
213.12845	1.1
213.16371	1.5
221.13364	1.7
223.14862	1.6
225.12813	0.8
225.16470	1.1
227.12877	2.0
228.23283	2.7
229.14311	0.7
229.23643	2.7
233.13257	0.8
235.14874	1.1
237.16382	0.7
241.19621	1.7
246.20274	0.6
247.14680	0.8
259.20618	3.0
267.16037	2.8
281.19315	0.6
283.20615	1.5
297.22226	2.2
299.20343	1.4
299.23865	4.2
313.21838	1.2
315.23239	1.1
333.24188	1.4
339.23245	0.9
341.10400	2.3
342.10565	3.8
353.24539	0.7
357.24469	1.0
413.64542	0.7
415.30322	2.0
421.26123	0.9
423.32755	1.8
433.31003	5.9
451.31979	11.0
451.37589	0.7
469.33218	3.0
487.34305	1.0
507.34818	2.5
515.37585	2.2
525.35760	19.7
543.37103	100.0
544.37439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03930	3.3
55.05501	12.2
57.03434	1.6
67.05499	20.3
67.46967	1.5
69.07060	6.1
70.46822	4.2
71.05002	1.7
79.05487	14.9
81.03426	4.3
81.07056	18.3
82.08424	1.4
83.04986	2.3
83.08618	6.7
91.05472	9.3
93.07039	12.4
95.04977	4.9
95.08606	13.3
97.06557	1.9
97.10178	7.5
98.98299	1.6
105.07008	13.4
105.07558	1.3
107.04950	3.6
107.08557	9.1
109.06558	1.9
109.10162	8.4
117.06995	9.4
119.08545	10.3
121.06490	2.9
121.10172	5.2
123.04467	1.2
123.08031	1.9
123.11745	1.9
125.09619	2.8
129.07022	5.7
131.08562	13.3
133.10165	6.3
135.08061	3.7
135.11731	2.4
141.06987	2.2
142.07764	2.8
143.08537	8.8
145.06485	1.6
145.10110	11.9
147.11685	4.3
149.13271	2.0
154.07823	1.5
155.08588	4.8
157.10051	7.7
159.08084	3.4
159.11688	9.2
161.13295	1.4
167.08514	1.9
169.10168	6.1
170.48361	1.6
171.11745	5.5
173.09685	2.1
173.13272	3.7
180.50319	1.5
181.10120	3.2
183.11758	4.0
185.13240	3.6
187.11179	1.8
189.11273	2.1
195.11589	2.1
197.13348	3.1
209.13170	2.2
227.12611	2.4
229.14200	1.8
259.20648	3.3
267.15976	2.0
283.20499	2.9
297.22034	2.5
299.23624	3.0
315.23022	1.7
317.59961	1.7
399.90317	1.7
433.31122	6.3
451.32019	10.3
469.33279	3.6
483.16296	1.8
507.34619	2.1
525.35730	19.8
543.36859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.314
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.05495	0.8
57.07074	0.5
66.93138	0.3
67.05502	1.2
69.03423	0.9
69.07068	0.8
70.06603	0.5
70.82874	0.7
70.83237	0.7
71.04986	0.4
77.07013	0.4
79.05473	0.6
81.03440	0.6
81.07053	1.5
83.04979	0.5
85.02918	0.8
91.05505	0.8
93.07051	1.0
95.04968	0.5
95.08617	1.0
97.02890	0.9
99.04511	0.5
99.08092	0.6
101.01508	0.4
105.07033	0.7
107.04968	0.9
107.08598	1.0
109.10159	0.8
119.08585	0.7
121.10145	0.8
123.04469	0.6
123.11716	0.4
125.09651	0.8
127.03944	0.6
131.08592	0.6
137.05994	1.4
137.63138	0.5
139.03946	0.5
147.04425	0.5
147.11707	0.5
149.13295	0.5
151.03928	1.5
151.07590	0.4
173.13261	0.4
185.04251	1.1
253.72295	0.4
255.06604	0.8
257.04700	0.4
277.21707	0.6
287.08981	0.9
333.24222	0.5
363.25037	18.4
381.26102	39.1
382.26480	0.8
401.50659	0.4
543.31445	100.0
544.31445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57632	0.5
51.85517	0.4
55.05470	0.4
67.05447	0.6
69.07029	0.8
69.65750	3.2
73.02869	0.4
79.05446	0.4
81.07030	0.9
83.08566	0.4
85.02845	1.3
91.05398	0.5
93.06994	0.5
95.04919	0.7
95.08549	0.8
97.02868	0.7
99.04388	0.4
101.76994	0.4
105.06990	0.8
107.08534	0.8
109.02817	0.5
109.10122	0.6
119.08515	0.5
121.10069	0.7
123.04427	2.5
123.05143	0.7
123.11636	0.5
133.10098	1.0
137.05904	0.9
147.04407	0.5
149.09502	0.5
151.03856	0.5
159.11691	0.7
215.06721	0.6
217.07965	0.4
255.06432	0.8
255.13655	0.4
256.07016	0.7
269.07907	0.8
282.02878	0.4
283.05936	0.4
285.07578	0.4
311.05505	0.7
319.26062	32.7
320.26419	0.9
321.23965	0.8
363.25214	2.6
381.26096	67.5
382.26361	2.4
395.13174	0.8
415.08276	1.4
433.09238	1.3
543.31403	100.0
544.19366	0.6
544.31836	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	542.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.8
55.01861	8.0
55.05508	41.7
57.03429	9.1
57.07073	8.6
65.03941	6.8
67.05507	92.5
69.03417	45.1
69.07053	32.4
70.70170	17.0
71.04993	9.0
73.02927	7.1
79.05490	70.7
81.03423	55.9
81.07053	100.0
83.04980	14.4
83.08598	9.9
85.02887	38.1
89.06023	11.2
91.05481	62.6
93.07039	86.8
95.04960	11.9
95.08600	75.8
97.02884	20.6
97.06489	8.7
97.10163	9.1
101.69202	6.3
105.07030	58.6
107.04955	9.6
107.08594	52.8
109.02872	13.7
109.06500	10.5
109.10142	37.7
111.04458	10.0
111.08096	6.5
117.07005	30.5
119.08578	44.1
121.10120	33.7
123.08099	10.8
123.11682	13.5
127.03909	21.2
129.06984	20.5
131.08548	56.5
133.06561	10.0
133.10110	39.5
135.11700	24.7
143.08534	21.4
145.05028	6.9
145.06477	8.1
145.10063	38.5
147.07986	9.1
147.11696	30.3
149.13275	18.2
155.08530	9.8
157.10091	16.5
159.08113	7.1
159.11667	37.3
161.13205	15.4
169.10075	9.7
171.11710	13.3
173.13263	22.7
183.11682	9.3
185.13167	11.4
187.14847	14.3
189.12732	6.5
195.11566	10.6
261.22211	17.0
285.21997	10.8
289.21594	10.5
291.23264	7.9
303.23129	12.0
305.94531	7.0
314.76999	6.2
315.22894	10.4
341.24692	12.0
351.23108	18.3
369.24249	35.0
387.25327	39.3
405.26355	32.6
543.21008	8.8
562.66681	8.2
568.90656	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	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01639	0.2
55.01877	0.9
57.03428	0.4
59.05005	0.3
61.02922	0.9
65.03939	0.3
66.04714	0.2
67.05508	0.5
69.03426	1.3
69.07074	0.4
70.06578	0.3
71.04971	0.2
71.60390	0.3
73.02902	0.3
77.45236	0.2
79.05499	1.0
81.03410	0.9
81.07053	1.1
83.04948	0.2
84.08123	0.3
85.02898	5.3
85.06522	0.3
85.84857	0.2
87.04488	0.2
91.05477	2.6
93.07063	0.5
94.04183	2.1
95.04968	0.6
95.08610	0.4
96.08964	0.3
97.02886	1.4
97.03416	0.2
97.06544	0.3
103.05454	5.7
105.07023	3.5
107.04921	1.1
107.08588	0.5
109.02879	0.5
109.06499	1.1
111.48972	0.2
115.05463	0.6
117.07018	0.8
119.04916	0.7
121.06508	2.7
122.03645	4.1
123.04442	0.3
123.08031	0.9
123.11697	0.2
127.03901	0.9
128.06223	0.8
129.06955	0.5
131.04918	8.5
131.08600	0.4
133.06483	18.0
134.06831	0.4
135.04362	0.3
135.08044	5.6
137.05968	100.0
138.06308	1.3
143.04942	0.4
143.08551	1.4
145.04959	0.6
145.06474	4.3
147.04407	0.3
147.08003	1.4
149.06007	1.7
151.03900	1.1
151.07527	5.6
152.04236	0.3
157.06508	1.3
159.08047	0.4
160.05171	0.4
161.05925	0.5
163.07530	28.8
164.07950	0.3
165.09090	0.6
171.08046	1.7
174.06802	0.8
175.07498	2.3
177.09120	1.2
179.06999	0.7
180.07449	0.3
187.07529	0.8
188.08279	0.8
189.09096	3.5
191.10590	0.2
193.08620	0.4
203.07132	0.3
203.10645	4.7
204.06532	0.3
207.10165	0.3
211.09561	0.6
217.10141	0.4
221.11671	0.9
235.11140	1.0
245.09549	0.7
246.70247	0.2
248.08424	0.3
263.10687	1.8
280.16510	0.2
295.13263	14.4
296.13647	0.3
296.26215	0.2
308.26492	0.3
325.14432	0.2
326.27618	0.3
327.15884	25.6
327.46741	0.3
328.16092	0.6
345.17053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27199	4.0
55.05508	12.8
57.03427	14.4
57.07071	30.0
57.43745	3.9
66.97188	3.9
67.05499	16.8
68.69465	3.9
69.07057	9.8
69.59705	32.9
71.04990	4.7
71.08633	24.7
77.23098	4.0
77.45483	3.6
79.05457	8.8
81.07052	49.7
83.08592	8.8
85.06550	6.5
85.10173	14.3
88.07592	4.5
89.06002	4.3
91.05489	13.6
93.06989	4.7
95.08591	25.1
97.10159	4.7
98.20747	8.7
99.52313	4.3
105.07037	17.2
107.08593	6.3
109.10147	6.3
119.08566	10.9
121.10137	11.3
123.11681	13.3
137.13257	4.6
147.11710	31.1
151.80087	4.1
165.12761	13.6
258.43304	3.8
267.15833	45.4
285.17047	19.4
312.29675	8.4
313.27359	100.0
523.39990	35.0
541.53613	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	541.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.1
55.01860	6.1
55.05508	14.2
56.96572	3.6
57.03428	8.2
57.07069	6.8
59.05003	3.4
65.51446	2.2
67.05489	17.8
68.99786	2.7
69.03426	25.5
69.07058	11.8
69.52308	20.7
71.04976	7.5
73.02914	6.9
79.05492	14.7
79.17182	2.1
81.03415	13.5
81.07056	30.0
83.04946	14.8
83.08611	8.8
85.02898	34.6
85.06535	23.0
85.07656	2.8
87.00835	13.0
91.05470	40.3
92.05784	10.2
93.07048	32.0
95.04975	15.5
95.08594	23.6
97.02882	9.4
97.06518	5.5
97.10151	5.6
99.04443	7.9
99.08059	5.2
103.05411	3.5
105.01855	9.6
105.07021	19.8
107.04948	34.4
107.08580	28.3
108.05273	4.0
109.02885	13.6
109.06512	11.0
109.10144	17.8
111.04420	4.6
111.08075	21.0
113.09640	6.9
115.03899	3.2
117.07017	5.7
119.04916	4.3
119.08573	27.1
121.06495	8.7
121.10139	36.8
122.03624	3.0
123.04419	9.2
123.08051	7.8
123.11709	17.3
125.06001	5.2
125.09628	21.4
127.03924	18.7
127.07523	6.9
131.04895	7.2
131.08565	10.5
133.06482	5.2
133.10129	22.8
135.08043	9.8
135.11717	14.2
137.05965	38.2
137.09566	14.6
137.13193	2.9
139.07521	3.5
139.11189	6.0
143.08530	4.1
145.04970	8.6
145.06493	2.5
145.10110	16.7
147.04379	3.3
147.08014	3.7
147.11661	11.2
149.06047	4.4
149.09605	19.3
149.13272	5.7
151.07497	6.0
151.11179	6.2
153.09070	23.6
157.10109	7.1
158.10933	3.2
159.02916	7.0
159.08087	6.0
159.11679	12.0
161.05925	2.4
161.09645	9.4
161.13303	5.8
163.07521	3.5
163.11194	12.5
165.05559	2.9
165.09096	5.5
167.07013	6.1
167.10632	5.3
170.44298	3.0
171.08047	2.8
171.11653	5.5
173.09509	2.7
173.13275	21.3
175.07562	3.9
175.11169	8.2
175.14832	4.8
177.00734	3.2
177.05595	2.5
177.09070	3.1
177.12759	6.7
179.10658	8.7
187.11203	6.7
187.14784	13.6
189.09143	3.3
189.12772	7.1
191.14290	12.2
195.10159	3.0
199.14854	3.9
201.12788	7.9
202.74457	2.6
203.14354	4.8
205.12225	3.2
205.15869	3.0
207.13841	4.6
215.14270	4.2
215.17961	3.0
217.15910	5.5
219.13792	7.6
229.19476	7.0
230.62376	2.4
237.14948	2.9
247.20532	6.6
257.19019	17.5
275.20041	100.0
293.21097	72.2
307.61139	2.8
343.08170	2.9
361.23523	4.8
379.24597	13.3
454.44464	3.4
455.18933	2.6
481.19122	3.1
505.22656	2.8
523.24963	4.5
541.13013	4.8
541.21906	25.9
541.29541	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28616	0.6
55.05500	1.6
57.03417	0.9
65.21987	0.8
67.05502	1.7
69.03412	2.2
69.07073	1.2
70.06577	1.1
71.04977	0.9
71.60596	1.2
73.02920	1.3
73.09998	0.9
74.45794	0.8
77.03889	0.9
77.30941	0.7
79.05486	3.0
79.26540	0.8
81.03403	1.6
81.07047	4.6
83.04963	0.8
83.06083	3.4
84.19779	0.8
85.02905	3.1
85.06519	1.2
85.07663	2.5
86.09710	1.1
87.51228	0.8
91.05473	7.1
93.07036	1.9
94.04162	2.9
95.04967	3.4
95.08601	2.5
97.02888	2.5
99.04457	1.1
103.05469	3.5
105.07028	4.1
107.04952	1.6
107.08573	2.0
108.05732	0.8
109.02867	1.4
109.06531	1.2
109.10150	1.3
111.08083	0.8
115.03903	0.8
115.05476	1.2
117.07034	1.1
119.04930	3.3
119.08572	1.4
121.06524	2.8
121.10138	1.4
122.03650	8.0
123.04385	1.3
123.08041	1.2
123.11750	1.4
125.05981	1.4
127.07502	2.1
128.06223	1.3
129.06981	1.2
131.04924	7.2
132.05730	0.8
133.06483	3.6
135.04410	1.1
135.08028	1.6
137.05966	100.0
138.06285	4.3
141.06966	0.9
143.08522	1.5
145.06464	2.1
145.10158	0.9
147.04340	1.9
147.08060	1.6
148.12065	0.9
149.05963	2.2
151.07530	17.4
154.89355	0.8
157.06506	2.3
159.08066	0.9
160.05238	0.9
161.05986	6.8
162.06656	1.0
163.07527	12.7
165.05489	0.9
165.07024	1.0
165.09093	3.0
167.07025	4.2
167.08461	1.3
169.06465	1.0
171.08104	1.8
174.06723	1.2
175.07523	13.5
177.09108	2.3
179.07033	1.8
179.08514	1.3
181.04919	0.8
181.06523	0.9
181.08553	1.7
183.06503	1.2
183.08057	0.8
186.06709	0.8
187.07565	3.2
189.09106	5.5
195.08040	3.5
197.05957	0.9
199.07596	0.8
200.08215	1.0
201.09128	2.6
203.10686	1.5
205.06487	0.7
213.09000	1.8
219.10030	1.2
221.05974	1.0
223.07501	1.0
223.13094	0.9
224.56522	0.7
225.09093	1.7
227.10727	4.3
233.09641	1.8
237.09030	0.9
239.10654	1.8
249.09091	0.9
253.08490	1.5
255.10152	3.0
257.11725	0.9
265.08508	1.2
285.11096	2.9
287.12750	11.5
293.11725	1.4
297.11234	2.1
299.12759	1.7
309.64005	0.9
311.12558	1.6
313.14337	2.5
313.63446	0.8
314.10831	0.8
315.12210	1.5
325.14230	1.3
328.65814	0.8
337.14297	1.5
340.13672	0.8
349.14017	1.3
351.15799	6.8
363.15900	2.6
369.16977	2.3
381.16895	2.7
385.18167	1.6
427.19232	4.6
443.18579	1.9
471.18439	3.9
475.21048	4.2
493.22040	3.6
497.23312	2.2
541.22058	14.4
541.30151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
67.05512	5.9
68.91582	1.8
68.99808	2.5
69.03427	2.2
69.07070	2.2
70.74837	6.2
70.87061	1.7
71.05006	2.2
79.05515	3.9
81.03413	3.6
81.07047	4.4
82.76480	1.7
85.02899	3.2
91.05496	3.8
93.07074	2.5
95.04962	4.0
95.08618	3.9
96.99181	1.5
107.04961	5.7
107.08575	4.2
109.06525	1.9
109.10145	2.2
119.08599	4.6
123.04458	15.6
125.09608	2.1
129.07028	3.1
131.08604	2.2
133.10159	2.2
134.03658	1.9
137.02357	6.4
137.05946	2.2
141.07062	2.5
143.08615	2.8
145.10133	3.0
147.04440	3.4
151.03929	9.1
153.05545	2.4
153.07028	2.1
159.11700	2.1
167.07086	2.4
168.05698	1.8
169.06516	3.4
181.05016	3.5
181.06494	4.5
185.06065	2.4
187.03915	1.9
197.05930	8.5
201.05449	2.6
209.05962	10.3
211.07500	3.6
213.05550	11.3
214.06258	3.3
215.07056	5.2
224.04700	2.8
225.05563	6.5
227.06909	8.9
228.04292	2.1
229.04994	2.8
235.07507	2.2
237.05461	10.8
238.06419	2.7
239.07065	5.7
241.04941	9.0
242.05779	7.1
243.06587	4.6
250.06252	2.3
251.07126	4.0
252.04195	2.6
253.05072	6.9
255.06490	13.0
256.07330	5.8
257.04443	4.1
262.83127	2.0
267.06564	8.6
269.04575	2.3
270.05273	6.0
271.05780	11.7
272.08432	2.2
273.09189	3.5
275.06931	2.5
277.08728	2.2
285.07538	58.5
289.08618	3.3
299.09299	7.4
300.07758	4.3
301.08633	7.8
302.09320	4.4
303.06589	4.5
313.08548	2.0
315.06604	2.8
316.07510	2.3
317.07983	3.0
318.09042	4.0
327.06604	1.8
328.07333	3.6
329.08231	8.0
330.08789	2.7
331.05963	4.1
333.11401	4.7
343.09668	3.8
345.07709	5.1
346.08554	4.0
356.06735	2.7
357.07684	3.6
361.10684	42.2
361.14978	2.2
373.07111	4.7
374.07791	6.7
385.07254	2.1
387.08929	3.6
389.10031	4.0
401.06921	2.6
402.07138	9.4
416.08566	2.2
417.09677	42.7
418.09967	2.2
431.11450	3.4
432.12167	9.2
467.31247	1.7
513.15424	78.9
514.15601	2.1
526.12402	2.3
541.14984	100.0
541.35767	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	541.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12515	0.3
62.12680	0.4
63.59607	0.4
67.05495	0.5
67.45267	0.3
68.99780	0.9
81.03407	0.5
81.07063	0.7
84.90697	0.4
91.05450	0.6
93.07037	0.6
95.08617	0.5
100.31679	0.4
107.04969	0.5
114.86413	0.4
119.08562	0.5
129.07004	0.6
131.08537	0.5
145.06514	0.4
158.07266	0.8
168.05717	3.2
169.06468	0.9
171.04350	0.4
183.04437	1.0
185.05948	2.6
186.06767	1.4
187.03909	0.5
188.04550	0.5
196.05167	2.7
197.05943	1.1
200.04762	0.6
201.05550	2.0
202.06174	2.1
213.05441	4.7
214.06229	5.7
219.17419	0.9
224.04665	3.7
225.05417	1.9
227.03391	1.3
228.04160	0.9
229.04921	2.6
229.46504	0.4
241.05020	1.1
242.05745	8.3
252.04222	1.7
253.05006	2.1
255.06458	2.4
256.07288	1.0
257.04678	0.4
269.04480	2.5
270.05261	7.6
285.07578	100.0
286.08020	1.0
439.85620	0.4
540.53809	0.4
541.35266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1492
Annotation	Floribundiquinone C
Peak:m/z	Relative Intensity
55.01867	2.1
67.05495	2.5
70.99762	1.4
71.00084	2.3
72.94195	1.3
79.05484	2.8
81.03391	2.0
81.07059	2.5
87.64324	1.5
89.56834	1.1
91.05487	2.0
91.96991	1.2
93.07051	2.5
95.04970	3.4
95.08578	2.1
107.04949	8.0
107.08572	1.5
110.10278	1.1
117.35809	1.3
119.04943	1.6
119.08620	1.1
123.04411	10.9
133.10086	1.5
135.04407	2.8
137.02365	4.6
137.06001	4.1
138.03123	1.7
141.06990	1.7
145.06476	1.6
147.04407	4.8
149.06143	1.4
151.03935	8.2
153.05463	3.6
153.07048	1.8
155.08569	3.4
165.06998	2.8
168.05716	1.8
169.40819	1.3
181.05013	2.9
181.06468	2.3
183.08025	7.4
184.05191	1.6
187.03880	1.5
187.07594	2.5
197.06026	3.7
199.07640	1.7
209.06075	1.9
211.07529	31.7
213.05486	4.0
215.06989	3.5
216.82471	1.4
217.08728	1.6
225.05511	1.8
227.07059	3.5
241.05046	2.8
242.05731	3.6
243.06456	2.4
253.04950	3.1
255.06490	10.1
256.07211	2.0
269.07996	1.9
270.05392	1.8
271.06119	5.2
285.07501	19.2
287.07126	1.4
301.08704	2.5
303.06671	3.2
317.08014	4.1
328.07248	2.1
329.08121	4.0
331.09735	3.1
333.07669	3.2
333.11218	14.9
343.06018	2.1
345.07501	3.1
346.08215	2.1
356.06882	2.1
357.07697	2.7
358.08102	1.6
359.09125	4.8
361.10718	7.5
363.12289	4.9
374.07947	3.1
376.09503	2.6
386.07831	1.8
389.10165	4.4
391.11777	4.7
417.09561	11.7
419.10379	1.5
431.11221	3.0
432.12158	9.4
435.08542	1.7
446.06952	1.5
466.10849	2.0
478.10580	4.8
481.13116	2.1
483.10858	3.2
498.12949	2.4
509.12140	2.5
510.13058	3.6
513.15417	46.7
526.12408	4.0
541.14880	100.0
541.34998	5.7
542.15051	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
67.05492	8.1
69.07072	3.3
71.22318	4.9
79.05483	7.7
81.03420	5.1
81.07056	6.5
83.08620	3.3
91.05474	3.8
93.07053	5.0
95.04991	3.8
95.08585	6.1
105.07011	5.8
107.04970	15.2
107.08576	4.7
115.99850	2.3
117.07053	2.2
119.08591	3.9
121.06517	2.9
123.04445	9.3
125.09647	2.4
129.07034	3.7
131.08580	4.8
133.10089	3.9
134.96780	2.4
135.08139	2.6
137.02321	4.6
137.05972	15.0
141.06987	4.8
145.10175	3.1
151.03947	8.6
153.06863	3.1
155.08583	3.3
157.10139	3.0
171.08034	3.0
181.06526	5.0
184.05165	3.4
193.12245	3.9
197.06068	5.7
209.05986	7.8
210.06726	2.8
212.04744	7.7
213.05537	10.8
214.06326	2.3
215.06967	4.2
225.05524	3.2
227.06989	7.0
237.05492	7.4
239.07010	4.1
241.05054	5.2
242.05742	4.8
243.06429	3.9
251.07091	3.2
253.05029	4.1
255.06471	21.7
256.07233	4.2
267.06494	5.9
270.05368	3.0
271.05847	17.2
275.07263	2.6
275.20062	5.2
283.09900	3.0
285.07550	38.8
287.07092	2.5
301.08249	3.6
303.06546	7.0
311.07083	2.4
312.07806	2.8
316.07315	4.2
317.08087	4.6
318.09021	2.1
328.07312	3.0
328.22964	2.0
329.08118	10.4
333.11215	7.2
343.09692	4.4
344.06870	3.4
345.07599	6.4
346.08420	3.6
356.06805	3.3
357.07721	3.3
359.09207	8.8
361.10706	33.3
374.07889	4.2
379.99854	2.2
384.06207	2.7
387.08569	13.3
388.09647	2.5
389.10278	3.8
389.14960	2.9
401.06512	2.2
402.07434	5.9
417.09677	42.7
432.12234	13.1
449.30667	2.3
467.10983	2.5
489.25754	2.3
513.08081	4.3
513.15503	72.8
540.53137	3.7
541.14893	100.0
541.35767	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	540.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.43974	0.4
55.01865	0.5
57.03449	0.8
61.02919	0.7
69.03432	2.1
69.97225	0.7
69.97640	1.2
70.06610	0.4
71.04964	0.5
75.63865	0.3
79.05502	0.7
81.03391	1.1
81.07056	1.0
83.04974	0.5
85.02406	0.6
85.02897	7.4
91.05476	6.4
93.07027	0.5
94.04152	0.7
95.04961	2.6
95.08647	0.4
97.02867	1.6
99.04460	0.7
103.05467	1.3
105.07004	0.9
107.04951	1.7
109.02878	0.5
109.06502	1.3
109.10204	0.4
111.04432	0.4
115.05460	0.6
117.06994	0.6
119.04936	7.0
121.06502	1.9
122.03648	1.2
123.08066	0.6
127.03905	1.2
128.06256	0.5
129.06985	5.1
131.04913	2.0
131.08583	0.6
133.06493	0.8
135.08031	1.7
136.05171	0.8
137.05966	32.3
143.04883	0.8
145.04964	1.0
145.06488	1.0
147.04384	0.8
147.08023	0.5
148.05099	0.5
149.05952	6.1
151.03917	1.4
151.07533	39.3
157.06485	5.1
161.05963	5.5
161.09602	1.0
163.03833	0.6
163.07535	12.1
165.07028	1.6
165.09149	1.7
166.07813	0.5
167.08545	4.0
169.06461	0.6
171.08051	0.4
174.06738	2.3
175.07504	2.9
176.08195	0.4
177.05443	0.5
177.09088	4.2
178.07764	1.1
179.08600	0.7
181.06447	0.6
181.10132	0.6
182.07164	0.6
185.05898	0.4
189.09096	13.2
192.09280	0.7
193.06490	1.5
193.10139	2.8
195.08047	9.5
195.09819	0.3
197.00777	0.4
197.05965	1.0
197.09572	0.4
203.08496	0.4
206.07291	0.7
207.08328	0.6
207.10172	2.4
209.06119	0.5
209.09610	1.1
210.06760	1.4
211.07541	0.5
212.08298	1.4
219.10155	0.5
221.05974	3.2
221.09492	3.7
221.11465	0.6
222.06679	0.5
223.07495	4.7
224.08282	1.3
225.05504	0.5
225.09000	3.4
227.07121	0.7
227.10649	13.3
234.06749	0.5
235.07529	0.7
236.09425	0.5
237.10437	2.2
238.06342	1.4
238.09831	0.8
239.07050	0.7
239.10817	0.5
240.07828	1.3
241.08632	0.6
241.12242	0.8
248.09055	0.4
249.10184	1.8
250.10925	1.6
251.08095	0.3
251.11777	4.3
253.08784	5.6
253.12260	6.7
254.09491	0.3
255.06371	0.7
255.10152	13.6
256.10965	0.5
265.09781	4.2
265.12354	0.6
266.09799	0.4
267.10110	2.4
269.08084	1.6
269.11624	0.7
271.06046	1.0
272.10501	1.7
277.09793	1.0
278.10446	1.9
279.07571	1.1
279.11304	5.0
280.11984	1.5
281.11691	2.4
282.12146	0.5
284.10449	0.8
285.11160	9.7
287.12759	22.1
293.09180	1.3
293.12775	1.8
294.09839	0.6
295.10721	0.9
295.14029	0.5
297.12186	1.9
298.12195	0.4
299.12836	1.6
301.14371	0.8
307.10794	1.0
308.11411	0.5
309.08667	0.6
309.12360	1.3
311.09955	0.8
311.13068	0.9
312.11044	2.5
312.14157	0.5
313.14325	18.6
324.10999	1.1
325.11752	3.5
327.13376	11.0
331.15375	100.0
332.15704	0.6
335.10159	1.5
336.10999	0.5
337.11902	1.0
339.13364	25.1
340.13977	1.2
343.15421	2.9
353.11203	2.2
367.12836	20.8
368.13617	1.5
385.13885	3.2
399.15363	4.6
476.18002	1.5
480.21271	0.5
508.20764	23.6
526.21735	1.2
540.23438	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24847	0.5
55.01863	0.6
57.03413	1.0
61.02900	1.1
67.05488	1.2
68.97607	0.5
69.03410	1.7
69.07079	1.3
70.86227	1.0
70.86538	0.6
71.04984	0.8
79.05476	1.1
81.03413	1.0
81.07034	1.8
83.04967	0.7
85.02902	5.1
85.06525	2.1
91.05479	7.9
93.07021	1.1
94.93713	0.5
95.04967	3.0
95.08586	1.5
96.38682	0.6
96.39561	0.5
97.02885	2.3
103.05434	1.4
105.07012	2.4
107.04935	2.2
107.08645	0.6
109.02840	0.8
109.06473	1.9
109.10135	0.9
111.04420	0.6
115.05457	1.1
117.07020	0.6
119.04948	5.6
119.08598	0.8
121.06461	1.5
121.10130	1.0
122.03589	1.0
123.08048	0.7
127.03847	1.1
128.06224	0.6
129.06984	5.5
131.04929	2.9
131.08553	3.3
133.06506	0.8
133.10121	1.1
135.08009	1.6
136.05171	0.7
137.05969	32.6
141.06990	1.5
145.04910	0.9
145.06479	1.9
145.10175	0.6
147.04419	0.6
147.07994	0.7
149.05992	5.9
151.03963	1.0
151.07535	47.4
152.81868	0.6
157.06473	5.1
158.07272	1.0
159.08066	2.1
161.05969	3.3
161.09604	1.1
163.07523	10.1
165.06985	1.3
165.09116	2.4
167.07309	0.6
167.08539	3.5
169.06480	0.8
174.06740	7.4
175.07513	4.3
177.05540	0.7
177.09065	2.7
178.07721	0.7
180.08720	0.7
180.44160	0.6
181.06506	0.8
186.06877	0.9
189.09102	24.6
191.10643	0.8
193.06493	1.6
193.10110	2.3
195.08064	8.6
201.09102	3.4
203.08490	0.8
205.06485	0.7
207.10181	2.2
209.09607	1.5
210.06703	1.1
212.08414	1.3
219.10133	37.7
221.05994	2.8
221.09531	4.1
223.07495	4.8
225.09096	3.1
227.10645	14.8
228.37479	0.6
237.09186	1.5
238.06248	1.3
240.07762	1.0
241.12108	0.8
249.09010	2.9
253.08533	5.8
253.12222	7.5
254.09456	0.6
255.10161	12.6
266.09766	0.8
267.10114	2.9
269.08075	1.3
269.11642	0.8
272.10474	1.0
281.11743	3.1
284.10406	0.9
285.11191	9.5
287.12750	26.7
299.12692	1.5
301.14395	0.7
306.24963	0.8
313.14316	24.5
324.25836	0.8
325.14322	0.6
331.15372	100.0
332.15729	1.2
343.15506	1.2
548.73254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.7
67.05489	1.7
69.03410	2.5
69.07063	1.2
71.04978	1.1
71.08588	1.5
73.02906	1.0
79.05475	1.6
81.03391	1.2
81.07038	3.9
85.02898	7.0
85.06532	2.7
87.09203	0.7
91.05475	7.2
93.07032	2.7
94.04144	1.0
94.07403	0.7
95.04952	2.8
95.08595	3.0
97.02872	1.9
103.05460	1.6
105.07042	2.3
106.07349	0.9
107.04937	1.6
107.08580	2.6
109.02853	0.8
109.06493	1.6
109.10163	1.8
110.10494	0.8
111.04423	0.7
115.05415	0.9
117.07029	0.9
119.04928	6.5
119.08559	1.9
121.06522	1.8
121.10121	1.5
122.03635	2.1
123.04399	0.7
123.08070	1.1
123.11682	0.8
127.03907	1.8
128.06244	0.9
129.06990	7.6
131.04907	2.6
131.08559	5.9
133.06494	1.6
133.10094	1.2
135.08032	1.8
136.05141	0.8
137.05963	36.2
140.25420	0.6
141.06970	3.6
143.04955	1.0
143.08565	1.1
145.04889	1.3
145.06531	1.3
147.04430	1.8
149.05983	6.0
151.03870	1.1
151.07533	42.1
157.06491	7.7
158.07233	1.9
158.66742	0.7
159.08049	4.1
160.05156	0.8
161.06009	4.8
161.09596	2.0
163.07521	9.8
165.06932	0.9
165.09123	2.2
167.08571	3.6
169.06462	2.2
170.07341	1.0
174.06769	9.8
175.07527	5.3
175.14720	0.9
177.05475	0.8
177.09087	2.8
180.08574	0.9
181.06340	0.9
186.06779	2.0
189.09091	31.2
191.10617	1.7
193.06458	1.5
193.10121	1.9
194.07230	0.8
195.08060	8.3
197.09596	0.9
201.09094	6.3
202.39265	0.7
206.07295	0.9
207.10184	3.0
209.09596	1.1
210.06743	1.1
211.16888	0.9
219.10146	78.5
221.05962	3.1
221.09544	3.8
223.07565	4.0
224.08165	0.8
225.09116	3.3
227.10635	14.9
230.80946	0.7
237.09120	1.2
237.11203	0.9
240.07661	0.8
241.12125	0.9
249.09195	2.8
252.07822	1.0
253.08565	6.7
253.12225	5.9
255.10150	15.6
265.08722	0.8
267.10077	2.8
269.08218	1.5
269.11484	1.3
272.10428	2.0
281.11621	2.4
284.10370	0.9
285.11179	10.9
287.12766	26.3
288.24017	1.1
299.12735	1.4
306.25043	0.9
313.14310	24.1
324.26117	1.2
331.15375	100.0
332.15601	0.9
342.27267	1.0
343.15536	1.6
360.28281	0.9
450.09830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75083	0.4
55.34770	0.4
57.03421	0.7
67.05507	0.4
69.03417	1.0
70.06557	0.4
70.28498	1.5
70.28910	0.9
79.05484	0.7
81.03408	0.6
81.07045	1.7
85.02888	2.9
85.07633	0.6
91.05458	3.4
93.07028	0.6
94.04157	1.3
95.04940	1.6
95.08591	1.0
97.02864	1.1
100.04950	0.4
103.05463	6.1
105.07013	0.8
107.04943	1.5
107.08540	1.0
109.06499	0.6
109.10148	0.9
111.04460	0.4
112.08694	1.0
115.05446	1.1
117.07000	1.7
119.04922	2.6
121.06476	1.1
121.10122	0.6
122.03615	1.7
123.08057	0.6
128.06238	0.9
129.06972	1.5
131.04916	16.1
133.06538	0.5
135.08049	1.8
137.05969	25.4
143.08511	1.0
145.04877	0.5
145.06502	1.0
149.05937	2.0
151.07533	15.8
157.06458	1.1
161.05965	3.1
162.06732	2.0
163.07535	42.3
165.09140	0.5
167.07117	0.8
167.08517	0.8
174.06783	0.9
175.07555	4.7
177.09093	100.0
178.09491	0.5
179.67529	0.5
189.09123	4.3
193.06458	0.8
193.10129	0.6
195.08229	2.6
195.09978	2.7
207.08176	0.5
207.10164	0.6
209.09618	0.6
212.08366	0.7
221.05945	1.1
221.09729	1.1
221.11710	20.9
223.07484	1.1
224.08258	0.8
227.10680	3.8
237.09016	0.6
249.10146	0.7
251.11635	0.6
253.08630	1.7
253.12256	1.5
255.10155	4.2
263.11740	1.3
265.09280	1.0
267.10257	0.9
267.94958	0.5
269.07910	0.7
279.11234	1.2
281.11627	0.7
285.11142	3.0
287.12759	6.0
299.12704	1.2
309.12262	0.7
311.12866	2.2
312.11105	0.5
313.14264	5.5
323.13818	1.1
327.13364	2.9
331.15369	22.8
339.13324	5.8
343.15469	2.9
343.72986	0.5
365.16055	0.5
367.12881	5.8
368.13510	1.3
375.34097	0.5
399.15405	1.0
508.20856	7.6
540.23273	1.8
558.64435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
54.14434	1.2
55.01863	2.5
55.05299	1.4
55.05508	16.3
55.60181	1.6
56.96554	1.7
57.03431	3.9
57.07077	10.5
59.24368	1.5
59.54608	1.5
59.94817	1.5
61.02922	2.3
65.03933	1.8
67.05502	32.9
69.03421	12.3
69.07065	41.2
69.69856	1.5
71.04993	8.0
71.08623	2.5
71.63187	2.6
73.02897	2.1
74.38431	1.4
75.90831	1.5
79.05481	17.4
81.03406	4.3
81.07053	100.0
83.04961	3.9
83.08617	13.3
83.72846	1.5
85.02898	10.2
85.06538	65.6
85.07056	3.5
85.10169	1.5
90.94564	1.3
91.05474	10.0
93.06463	2.6
93.07041	44.8
95.04973	7.5
95.08601	95.0
97.02879	5.2
97.06520	6.3
97.10170	14.0
99.04433	4.3
99.08094	16.3
100.11244	1.4
103.05470	3.7
105.07022	17.4
107.04961	7.2
107.07856	2.5
107.08590	50.0
109.02849	3.6
109.06490	8.0
109.10145	66.9
111.04430	2.5
111.08086	4.8
111.11715	6.6
113.05969	2.1
113.09627	4.2
115.05478	1.5
116.86014	1.4
117.06981	2.0
119.04963	2.0
119.08573	20.5
121.06500	6.0
121.10136	65.9
121.11019	3.2
122.03695	3.4
123.04453	2.3
123.08061	3.9
123.11705	37.3
125.05963	2.3
125.09618	6.0
125.13268	2.5
127.03893	5.8
127.07539	4.6
127.11179	4.8
131.04927	4.5
131.08560	5.5
133.06476	2.6
133.10132	17.6
135.08052	4.5
135.11687	36.8
137.05965	46.4
137.09628	4.1
137.12276	2.2
137.13254	21.3
138.06316	3.0
139.07512	3.6
139.11166	8.2
140.22856	1.5
140.92609	1.6
143.08524	3.6
145.06474	2.5
145.10159	7.6
147.04382	2.1
147.11687	14.3
149.09581	4.9
149.13248	28.8
150.77534	1.5
151.03842	2.7
151.07594	3.5
151.11179	2.7
151.14847	3.7
153.05472	3.6
153.09068	3.5
153.12744	3.8
155.10666	3.0
155.14241	1.7
157.10117	4.9
159.11685	10.4
161.05968	8.8
161.09622	3.7
161.13255	12.6
163.07483	7.9
163.11183	9.4
163.14824	14.1
165.09067	1.8
165.12759	3.1
165.16408	2.7
167.07062	12.8
167.10669	4.9
167.14296	2.1
169.12148	1.8
171.11662	2.8
171.13753	3.9
172.08665	1.8
173.13248	4.3
174.06744	1.7
175.07527	6.2
175.11217	2.4
175.14862	10.2
177.05478	3.3
177.09058	2.4
177.12790	4.6
177.16391	9.8
179.07011	2.9
179.10582	2.1
179.14339	1.8
181.08601	2.0
181.12183	13.5
185.13252	2.5
187.07582	2.2
187.14799	2.9
189.09067	2.0
189.16409	7.8
191.14290	2.3
191.17946	2.8
195.10158	2.8
195.13774	6.1
197.19011	3.6
199.14857	4.0
203.07030	2.0
203.17836	3.1
204.07867	3.1
205.15862	3.2
205.19518	4.5
207.10037	2.0
207.17412	1.6
209.15323	3.0
209.18913	2.3
213.16412	3.5
217.08539	1.5
217.19528	1.7
221.15393	3.3
221.18973	2.4
223.16928	5.4
223.20564	5.3
227.16382	2.5
229.19510	2.9
231.17400	4.4
235.16928	3.6
242.93671	1.5
245.22643	13.0
249.08916	1.7
249.18530	7.1
251.11751	3.5
255.23170	2.6
259.24298	2.0
261.08997	3.0
261.22009	1.9
261.25632	1.6
263.23706	6.4
265.09500	2.4
269.22556	8.6
277.08469	2.4
277.25198	4.9
279.11166	5.3
279.26788	10.0
281.24554	1.9
287.23715	25.5
289.08621	2.5
297.11258	2.5
297.27838	2.0
305.24719	85.7
311.12891	2.8
312.11090	2.1
321.11264	4.1
323.21964	3.4
323.25754	60.5
324.11188	2.0
325.11627	2.3
327.13306	13.4
339.13376	20.9
340.12979	4.2
341.13760	4.2
341.26846	72.0
359.27942	13.2
367.12595	15.9
377.28928	6.6
399.15182	4.2
508.20758	21.4
521.21014	2.1
539.20978	8.1
539.28497	4.2
539.38049	2.2
540.23358	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	539.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41182	1.7
51.02371	1.8
53.03934	9.3
55.01868	8.1
55.05507	22.8
57.03434	9.0
57.07076	9.6
60.04149	1.5
61.02921	3.6
65.03924	1.6
67.05502	43.5
68.99785	6.7
69.03426	62.2
69.07064	45.5
69.35690	17.3
71.01365	2.6
71.04984	6.3
71.08626	5.2
73.02890	5.2
79.05491	28.1
81.03416	49.0
81.07051	88.8
83.04970	7.6
83.08609	23.0
85.02418	3.4
85.02903	46.1
85.03418	2.6
85.06544	2.9
85.10180	2.8
87.00829	21.8
91.05474	27.5
93.07038	59.1
95.04968	19.0
95.08601	100.0
97.02892	20.0
97.06528	4.7
97.10152	11.4
99.04463	9.1
99.08076	2.3
105.01868	9.7
105.07030	39.0
107.04954	5.4
107.08585	46.4
107.09284	2.9
109.02875	34.4
109.06496	9.6
109.10152	48.0
111.04436	12.4
111.08068	7.0
111.11720	6.5
113.06062	2.2
115.03931	3.4
116.98638	2.8
117.07033	9.2
119.07769	3.4
119.08578	37.9
121.06497	9.2
121.10145	35.4
123.04414	6.5
123.08064	7.2
123.11708	25.3
125.05976	2.8
125.09586	2.9
125.13228	2.3
127.03908	50.7
129.01834	3.0
129.05417	1.8
129.06999	4.7
131.08572	13.4
133.06522	4.6
133.10133	31.1
135.08052	8.1
135.11688	26.5
137.05974	7.7
137.09602	12.8
137.13229	9.2
139.11218	2.1
142.07739	2.3
143.08563	6.1
145.04913	7.3
145.06508	4.2
145.10094	18.4
147.08041	5.8
147.11670	25.1
147.12781	2.6
149.09601	6.2
149.13254	26.5
149.14380	3.2
151.07588	2.2
151.11192	5.1
151.14827	4.7
152.09766	1.9
155.08583	2.5
155.10576	2.9
155.64767	1.7
157.10106	5.2
159.02882	5.4
159.08058	5.3
159.11664	14.4
161.09654	8.3
161.13240	15.0
163.07565	2.3
163.11183	4.9
163.14796	10.3
165.09094	2.7
165.12772	3.8
165.16347	3.0
169.10095	5.1
171.11688	5.6
173.09601	2.5
173.13303	7.1
175.11183	3.1
175.14906	9.7
175.16287	2.1
177.12804	3.5
177.16391	6.6
179.10689	2.8
179.14316	4.1
181.10159	2.2
183.11671	2.5
185.13252	4.5
187.11162	3.0
187.14836	6.5
189.03868	4.6
189.12651	2.4
189.16371	7.6
191.14270	2.2
191.17982	4.1
201.03905	3.2
201.16388	4.2
203.17966	5.7
205.19530	1.7
213.03963	4.0
215.17967	4.8
217.16046	2.4
217.19518	4.8
219.17535	2.2
227.14200	1.9
231.04991	10.9
253.04832	3.7
259.24170	2.1
271.24344	3.4
273.25784	11.5
283.05936	2.4
285.25693	2.2
289.25156	3.7
291.26779	9.2
299.23660	2.0
301.25250	3.2
303.27002	2.3
313.25150	4.9
315.26834	3.2
327.26736	2.6
331.26270	10.6
345.27881	2.9
349.27341	7.6
353.28500	1.9
357.27991	2.6
361.27408	2.5
363.26593	2.8
365.15985	2.1
369.27951	3.6
373.27567	3.1
375.28986	2.8
381.27881	17.9
387.28973	5.6
399.28870	33.3
417.30060	19.8
435.31036	5.4
453.21405	2.0
477.31964	2.2
485.28949	7.0
489.36035	1.6
491.30026	3.7
503.29962	21.6
509.31125	2.3
521.30957	12.8
523.09528	1.9
539.13629	13.6
539.32037	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	539.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03940	7.7
55.01872	8.4
55.05504	24.7
57.03431	6.1
57.07074	8.4
59.04980	1.1
61.02910	5.4
65.03951	2.6
67.05501	44.0
68.99783	5.3
69.03426	53.2
69.03809	2.6
69.07063	45.1
71.01347	4.4
71.04993	11.8
71.08627	3.9
73.02933	2.9
75.04449	1.1
76.31307	1.1
79.05488	25.1
81.03415	45.6
81.07050	96.5
83.04981	9.4
83.08614	17.3
85.02898	44.3
85.06548	4.2
85.10159	1.2
87.00816	16.8
87.04469	1.5
91.03943	1.4
91.05478	20.8
93.03384	1.5
93.07040	42.8
95.04963	19.1
95.08600	100.0
97.02888	32.8
97.06526	7.7
97.10177	11.0
99.04447	20.0
99.08083	1.4
103.03922	2.3
103.05447	1.4
105.01841	7.6
105.07019	30.4
107.04956	8.6
107.08585	44.8
109.02869	29.7
109.03574	2.1
109.06497	9.4
109.10149	53.7
110.43452	1.2
111.04433	11.7
111.08083	4.6
111.11717	6.7
115.03925	8.0
115.05423	1.4
117.07016	8.0
119.04919	1.4
119.08571	26.6
119.09343	2.1
121.06498	5.7
121.10126	31.2
123.04417	8.0
123.08074	5.9
123.11695	28.0
125.02355	1.4
125.06003	2.4
125.09622	1.5
125.13206	2.2
127.03903	51.9
128.06198	2.2
129.01848	2.5
129.05473	1.8
129.07010	4.4
131.04907	1.7
131.08562	13.8
133.06493	3.7
133.10118	21.0
133.11058	1.6
135.08081	6.4
135.11674	25.7
137.05997	5.9
137.09607	4.2
137.13264	16.5
139.03871	1.8
139.07593	1.9
139.11201	2.7
141.05406	1.6
143.08514	6.7
145.04974	4.9
145.06479	3.6
145.10110	17.1
147.08031	5.7
147.11690	14.8
149.05904	1.5
149.09583	5.7
149.13248	19.7
151.07541	1.8
151.11183	3.2
151.14804	4.7
155.08553	3.1
156.09381	1.9
157.10107	6.2
159.02916	4.4
159.08060	5.2
159.11697	10.9
161.09628	5.1
161.13234	9.9
163.11171	2.7
163.14799	11.0
165.09178	1.5
165.12721	1.5
165.16415	1.5
169.10117	3.0
171.02950	1.9
171.11711	4.4
173.09648	3.0
173.13194	7.5
175.07562	2.4
175.11218	3.2
175.14833	6.6
177.09134	3.1
177.16437	4.9
179.17950	1.8
181.10167	2.2
183.11699	4.3
185.13243	4.8
187.06012	6.7
187.11197	3.0
187.14841	4.5
189.03938	3.3
189.09148	1.7
189.12711	1.5
189.16376	3.2
191.10684	2.1
191.17961	3.9
193.08505	1.5
195.11737	1.8
197.13309	2.4
199.11230	2.2
199.14839	2.4
201.03973	3.0
201.16377	3.0
203.17963	3.6
211.14920	1.5
213.03940	10.6
213.16380	1.7
215.05508	1.4
215.10698	1.3
215.14339	1.9
215.17958	3.0
217.19475	3.0
225.16257	1.8
226.99094	1.6
227.14359	1.3
229.15875	1.5
231.04994	15.4
243.13463	1.3
245.18817	1.2
247.24413	1.8
249.06036	5.4
259.04764	1.4
259.23993	2.1
271.24301	1.8
273.25784	5.0
275.23752	1.3
289.25250	3.5
291.26785	4.7
297.25592	1.4
301.25360	2.2
307.26343	1.7
313.25195	2.1
315.26773	2.0
319.26349	3.6
321.27991	1.6
327.26859	1.3
331.26245	3.8
345.27875	2.2
361.27319	1.7
363.26794	1.9
369.27762	2.0
371.29391	2.0
375.28940	1.7
381.27768	9.1
387.29099	2.7
389.30655	2.1
399.28928	18.5
417.30066	10.0
435.31152	2.2
485.28955	6.6
491.29770	1.6
493.31329	1.7
503.30057	9.9
521.30817	13.5
539.12610	2.0
539.31769	7.1
566.38409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
55.01872	7.8
55.05510	17.4
56.96566	1.5
57.03440	6.8
57.07076	10.1
61.02915	5.0
65.03944	3.4
65.79290	1.1
66.97538	1.3
67.05502	38.8
68.99782	5.1
69.03425	59.4
69.07065	39.6
69.30569	3.3
69.30981	12.5
71.01349	2.0
71.04992	8.8
71.08622	3.1
73.02905	5.4
77.03874	1.3
79.05489	27.3
81.03415	46.8
81.07053	95.8
83.04980	8.8
83.08614	19.2
85.02901	47.5
85.03419	1.9
85.06545	2.5
87.00829	19.6
87.04488	1.5
88.56860	1.3
89.30063	1.5
91.05476	18.7
93.07040	48.0
94.22332	1.4
95.04971	18.4
95.08603	100.0
97.02891	24.2
97.06532	6.2
97.10155	14.7
98.97619	2.0
99.04443	15.1
101.02358	1.9
103.03932	3.4
103.05457	1.6
105.01896	9.3
105.07030	31.4
107.04937	7.3
107.08584	45.9
107.09287	2.7
109.02869	29.7
109.06527	9.1
109.10150	68.6
111.04438	13.4
111.08068	5.0
111.11711	8.7
113.02388	2.1
115.03913	6.0
115.04627	1.3
115.05455	2.3
116.98621	2.1
117.01823	1.4
117.07005	7.7
119.08579	26.6
119.09445	1.7
121.02837	1.2
121.06507	8.2
121.10140	34.4
123.04412	12.0
123.08078	5.2
123.11700	36.2
125.05997	2.3
125.09658	2.5
125.13233	3.6
127.03914	59.2
128.06197	1.8
129.01823	4.1
129.05470	2.6
129.06961	2.9
131.00107	1.5
131.04922	2.2
131.08551	10.6
133.06468	3.7
133.10107	22.4
134.99593	1.7
135.04398	1.5
135.08032	5.7
135.11682	29.5
137.05971	7.2
137.09641	5.4
137.13237	19.4
139.03896	2.3
141.05435	1.5
141.06967	2.6
142.07721	1.8
143.08575	5.0
144.09135	1.5
145.04955	3.8
145.06511	3.6
145.10121	16.1
147.02924	2.8
147.04427	2.2
147.08075	4.4
147.11671	14.7
149.05904	1.6
149.09654	3.6
149.13249	22.5
151.03888	1.9
151.07542	2.3
151.11179	2.6
151.14819	3.5
153.12714	2.2
155.08543	2.7
156.09346	2.0
157.10110	7.1
159.02902	7.6
159.06755	1.3
159.08038	4.9
159.11678	12.3
161.05949	2.0
161.09656	3.1
161.13229	11.5
163.07524	3.5
163.11171	3.7
163.14803	10.8
165.06969	1.2
165.09064	2.0
165.12740	1.9
167.08618	1.6
169.10085	2.9
171.02910	1.5
171.11678	5.5
173.09602	4.4
173.13225	10.2
175.07593	2.0
175.11232	2.9
175.14796	7.4
177.00681	2.1
177.09064	1.9
177.12785	2.8
177.16389	10.5
179.14372	2.0
181.08563	1.4
181.10110	2.0
183.11655	2.8
185.09668	2.5
185.13284	5.3
187.07678	1.6
187.11153	3.3
187.14804	5.8
189.03960	3.6
189.12695	3.4
189.16402	4.0
191.10680	2.2
191.17926	3.5
195.11650	1.7
197.13297	2.9
199.11330	2.2
199.14899	3.3
201.03967	5.0
201.12733	2.6
201.16327	2.3
203.14319	2.8
203.17963	3.9
209.13330	1.7
211.14850	2.0
213.03909	3.0
215.14211	2.9
215.17960	1.8
217.15929	1.8
217.19498	2.4
227.14354	2.0
229.15810	2.0
231.04977	18.4
243.17557	2.2
247.04297	1.6
255.56845	1.3
257.15524	1.7
257.22568	2.5
259.24292	1.9
271.20462	1.6
271.24219	3.1
273.25714	5.8
275.23645	1.3
283.24139	1.8
289.25168	1.7
291.26843	3.6
301.25290	4.2
303.26697	2.2
307.26419	3.0
313.25241	2.5
315.26816	1.8
319.26355	4.8
321.27750	2.4
327.26672	1.8
331.26401	4.3
339.27060	1.4
341.07996	1.5
345.27747	3.4
349.27148	1.4
353.28336	2.9
357.27835	3.1
363.26645	2.1
369.27820	5.0
371.29553	2.8
377.22943	5.5
381.27896	11.7
387.29001	6.3
389.30258	1.4
399.28946	26.6
405.30222	3.2
417.29865	10.8
435.31049	5.5
466.64612	1.8
473.28870	3.3
485.28876	7.2
491.30243	3.8
503.30084	13.6
509.30682	1.4
521.31036	11.3
539.12781	5.7
539.31543	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15925	0.4
53.48583	0.4
55.05495	0.7
64.24442	0.4
66.27797	0.4
67.05499	1.6
69.07058	0.5
79.05489	1.1
81.07035	1.9
84.96007	0.5
86.09703	0.9
91.05475	0.9
93.07040	0.9
95.08593	0.9
97.10151	0.5
104.10690	0.6
105.06985	0.6
109.06506	0.4
117.07001	0.6
120.01391	0.5
129.07014	0.5
139.00751	0.4
145.10109	0.6
149.01199	0.7
149.92252	0.4
155.08688	0.5
157.10031	0.4
159.11662	0.5
169.10133	0.6
171.11652	0.7
183.11682	0.7
184.07314	2.3
195.99835	0.4
203.05284	0.5
321.22708	0.6
359.18719	0.6
447.32675	1.1
521.36237	0.6
538.82178	1.5
539.31793	100.0
540.32092	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01861	3.5
55.05514	8.3
57.03427	5.2
57.07055	3.6
65.03939	2.6
67.05505	15.9
69.03423	6.8
69.07063	14.1
71.04993	3.9
71.61330	2.1
73.02905	2.0
79.05484	11.9
81.03411	4.9
81.07057	43.2
82.80905	1.4
83.04981	4.3
83.08617	5.5
85.02891	11.5
85.06536	23.2
87.00813	2.6
91.05460	16.5
93.07037	21.3
94.04203	2.4
95.04955	8.7
95.08600	35.8
97.02897	5.8
97.06520	6.4
97.10170	3.4
99.04436	1.9
99.08084	4.8
103.05447	5.0
105.07024	16.5
107.04954	11.7
107.08589	20.0
109.02871	3.2
109.06502	4.9
109.10155	19.7
111.08051	2.6
111.11700	3.7
115.03925	1.6
115.05444	4.4
117.07019	8.7
119.04929	9.1
119.08564	8.4
121.06461	8.3
121.10139	18.1
122.03625	6.6
123.04398	3.5
123.08063	6.5
123.11709	10.7
125.05988	4.7
127.03925	7.7
127.11208	1.8
128.06178	3.8
128.76604	1.6
129.07010	8.4
131.04889	6.5
131.08556	5.2
133.06499	2.6
133.10130	5.9
135.04475	2.0
135.08041	5.8
135.11684	11.4
136.05238	1.7
137.05968	100.0
137.09567	1.9
137.13234	5.3
139.11169	2.6
141.06984	1.8
143.04951	2.3
143.08557	1.9
145.06476	5.5
145.10081	4.1
147.04410	4.1
147.08044	2.3
147.11699	3.9
149.05980	7.4
149.09592	2.5
149.13286	9.6
151.03931	4.7
151.07530	43.5
151.11104	2.1
153.05470	13.5
153.08986	1.7
153.12764	4.3
157.06500	6.0
157.10013	1.6
158.58609	1.7
159.08057	2.9
159.11652	3.0
161.04639	1.9
161.05965	38.9
161.07236	3.1
161.09627	6.7
161.13261	2.6
163.03938	2.2
163.07506	10.8
163.11179	3.8
163.14836	4.5
165.05502	1.5
165.06984	4.0
165.09114	4.4
166.07776	3.0
167.07072	15.1
167.08452	3.2
167.10725	1.6
171.13780	11.8
173.13336	1.8
174.06697	3.7
175.07549	30.2
177.05507	3.8
177.06915	2.0
177.09111	8.7
177.16449	3.6
178.07655	1.7
179.07045	4.3
179.08542	1.7
181.06479	2.6
181.08563	3.2
181.12247	4.8
187.07545	3.5
187.11240	1.8
189.09096	24.7
189.12830	2.0
191.06976	3.4
191.10619	1.7
194.07310	5.1
195.08223	2.8
195.10164	17.2
199.14955	2.3
199.16888	2.9
205.06581	4.0
207.08212	3.2
207.10158	9.9
211.07449	2.5
213.09126	2.2
219.08043	4.0
219.10109	3.7
221.05977	4.4
222.06786	3.1
223.07397	2.2
225.09041	6.5
233.09624	2.0
235.07518	4.9
236.08195	2.2
237.09117	6.3
237.22064	1.9
239.07047	3.6
245.09506	2.0
247.07591	3.4
249.09125	7.2
250.06334	1.8
251.10628	4.3
253.08559	5.7
255.06567	3.4
255.23332	2.1
263.07031	2.2
263.10672	3.1
264.07755	3.5
265.08572	15.4
267.10110	5.2
269.07962	3.1
270.08875	3.9
271.09659	2.5
277.08630	8.3
277.11932	3.0
279.10092	5.4
281.07858	1.9
283.09668	5.4
285.11069	9.1
287.23541	3.3
291.10153	2.7
293.07886	2.5
293.11560	2.5
295.09631	4.6
297.11237	24.8
299.12976	3.6
301.14157	1.8
305.11746	2.5
305.24744	23.0
309.11191	8.8
311.12750	18.6
313.10648	4.3
315.12207	8.2
317.13828	4.9
323.12805	9.4
323.25790	18.3
327.12222	4.7
329.13998	2.2
337.14362	19.0
341.13745	3.2
341.26898	14.5
343.15332	2.7
349.14270	5.4
355.11301	2.2
355.15414	33.5
359.27982	5.2
367.15561	16.2
435.18054	2.2
450.87869	1.9
461.19507	3.2
475.16562	2.0
479.20615	6.8
509.21606	6.4
539.14502	10.9
539.21875	2.8
539.28741	5.8
549.67419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01865	2.9
55.05494	4.4
57.07061	1.2
59.04993	1.4
65.03927	2.0
67.05497	11.2
69.03410	5.2
69.07070	9.5
71.04981	4.0
71.59813	1.6
73.02879	1.7
76.50883	1.1
79.05484	12.8
81.03407	3.7
81.07052	24.7
83.04963	2.8
83.08620	3.5
85.02889	6.4
85.06541	14.3
86.26552	1.2
87.04479	1.3
91.05476	17.8
93.07036	16.4
94.04224	1.3
95.04974	6.5
95.08601	21.7
97.02920	2.2
97.06521	3.1
97.10167	2.7
98.99245	1.1
99.04487	2.1
99.08087	2.2
103.05468	5.0
105.07021	9.8
105.67685	1.3
107.04958	11.4
107.08591	13.1
109.02892	2.4
109.06499	4.3
109.10153	15.7
111.04395	2.0
111.08067	2.4
111.11736	1.8
115.05434	6.0
117.07019	5.1
118.04158	1.5
119.04933	6.2
119.08555	6.1
121.06512	7.9
121.10151	12.3
122.03637	6.5
123.04428	3.8
123.08049	4.4
123.11678	7.9
124.05192	1.7
125.06012	3.6
125.09619	2.8
127.03897	4.7
127.11246	2.5
128.06221	2.8
129.07013	7.7
131.04927	8.1
131.08556	5.3
133.02791	2.0
133.06483	4.4
133.10136	4.4
135.04410	1.7
135.08046	4.6
135.11679	8.4
136.05153	1.5
137.05969	100.0
137.09576	1.8
137.13239	2.5
141.06990	1.9
143.04935	3.2
143.08549	1.6
145.06480	5.0
145.10152	3.2
146.03596	1.4
146.07297	2.1
147.04404	5.0
147.08034	3.4
147.11665	4.1
148.05168	2.0
149.05954	8.2
149.09616	3.3
149.13257	7.2
150.06721	1.3
151.03909	3.9
151.07538	46.9
153.05466	9.7
153.12733	2.0
157.06474	7.3
157.10086	1.7
159.08040	3.0
159.11697	3.0
159.31923	1.2
160.05182	2.2
161.05969	41.7
161.09592	7.8
161.13171	1.7
162.06737	1.3
163.03929	2.2
163.07561	11.0
163.11189	2.9
163.14827	3.2
165.05577	2.5
165.07011	3.6
165.09108	3.1
166.07771	1.5
167.07043	26.3
167.08440	1.5
169.06427	1.9
169.12247	1.2
171.13797	6.9
173.05989	1.7
174.06801	3.8
175.07545	33.7
177.05492	1.8
177.06924	1.4
177.09087	9.9
177.16472	1.3
178.07805	1.7
179.07040	3.2
179.08519	2.6
179.10680	1.3
181.06418	2.0
181.08553	4.6
181.12149	2.1
182.07245	1.9
187.07584	3.5
187.11076	1.8
189.07263	2.3
189.09084	22.1
189.16476	1.6
191.06995	3.4
191.08549	2.8
191.10454	1.5
191.45212	1.3
193.06543	3.3
194.07256	4.7
195.08263	2.8
195.10138	22.3
197.09500	1.6
199.07513	1.7
201.09030	2.4
205.06516	4.3
205.08408	1.8
206.07309	1.2
207.08159	2.7
207.10167	13.0
208.08714	1.5
209.06090	1.9
209.09714	2.5
210.06699	2.9
211.07562	3.3
212.08371	1.2
213.09088	3.4
217.06528	1.6
218.16214	1.4
219.08064	6.2
219.10184	3.6
220.05180	1.3
221.06023	5.3
222.06714	4.0
223.07570	3.8
225.09091	4.2
227.10667	2.8
231.07961	1.9
233.05930	2.7
234.06781	2.0
235.07579	5.9
236.08272	3.0
237.03105	1.4
237.05424	1.8
237.09096	11.4
239.07072	2.7
239.10721	1.5
240.07761	1.6
241.08542	1.5
247.07599	3.2
248.08273	2.1
249.05356	1.5
249.09109	9.2
250.06163	2.2
251.06865	3.1
251.10641	3.9
252.07829	2.5
253.08452	6.6
255.06374	1.6
255.10097	2.8
255.23289	1.7
259.07330	1.5
259.75818	1.2
261.09085	2.4
262.06281	1.8
263.06885	3.2
263.10764	2.3
264.07715	2.9
265.08582	17.1
266.09259	2.5
267.06677	1.2
267.10144	4.6
268.07474	2.0
269.08090	3.1
269.11697	1.3
269.22684	1.7
270.08780	3.1
271.09750	2.1
273.09140	2.1
277.08572	8.0
277.11844	2.4
279.07159	1.4
279.10004	6.2
279.26855	2.5
281.08118	3.3
281.11780	1.4
282.08768	1.8
283.09564	6.6
284.10147	2.0
285.11215	11.7
287.12912	2.1
287.23547	2.4
289.08725	1.5
290.09225	1.6
291.10077	3.0
293.07947	3.0
294.08890	2.9
295.09677	4.0
296.10437	3.9
297.11227	30.0
299.12796	5.0
300.09937	2.9
305.11697	4.0
305.24734	14.4
307.09628	2.6
308.10214	2.1
309.11252	9.3
311.09262	1.1
311.12766	25.8
313.10641	5.6
313.14020	2.3
315.12405	8.2
317.13812	4.2
321.11212	1.6
323.12891	12.5
323.25812	11.5
325.10803	2.2
325.14255	1.9
327.12384	9.6
329.13803	3.4
335.12756	3.0
337.14313	21.0
341.13602	3.4
341.26877	8.5
341.30505	1.5
343.11554	2.3
343.15359	2.9
349.14569	5.9
353.13730	1.6
355.15384	39.0
359.27911	3.6
367.15378	19.2
379.15710	1.3
385.16479	2.0
403.15622	1.7
415.06113	1.3
433.16693	2.3
461.19482	4.8
477.19098	1.6
479.20490	8.5
491.20313	5.7
503.20200	1.7
509.21805	7.0
521.21313	2.1
539.15039	3.4
539.22260	7.2
539.29340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1738
Annotation	Fraxamoside
Peak:m/z	Relative Intensity
50.95053	0.3
52.07404	0.4
53.03940	0.5
55.01878	0.4
55.05517	1.0
56.81338	0.4
56.96552	0.4
57.03428	0.5
57.07063	0.5
67.05507	1.5
67.59475	0.3
69.03420	1.7
69.07055	1.6
71.04997	0.8
71.60911	0.8
73.02898	0.9
79.05499	1.6
81.03416	1.6
81.07045	4.1
83.04958	0.7
83.08618	0.5
85.02903	2.0
85.06530	1.4
91.05510	2.1
93.07033	2.6
93.71748	0.4
94.04183	0.4
95.04970	1.6
95.08616	3.5
97.02905	1.0
97.06519	1.1
97.10160	0.7
98.97569	0.5
99.04475	0.5
99.08106	0.6
103.05432	0.7
105.07031	1.7
107.04959	2.1
107.08604	2.1
109.02879	0.7
109.06478	0.5
109.10166	2.3
111.08110	0.5
117.06997	0.4
119.08559	0.8
121.06469	0.9
121.10151	1.7
123.08109	0.5
123.11703	0.9
127.03911	1.3
129.10295	0.4
131.04938	0.5
131.08583	0.7
133.06517	0.7
133.10129	1.5
135.04431	0.4
135.11700	1.4
137.05994	2.8
137.09624	0.4
137.13243	0.6
145.10106	0.8
147.04344	0.4
149.13239	0.9
151.07538	1.2
159.11729	0.6
161.06026	1.1
161.09569	0.4
161.13268	0.5
163.03957	0.7
163.07544	0.6
163.11226	0.6
167.07060	2.4
167.10733	0.5
171.00526	1.9
171.13773	0.7
175.07507	0.4
181.08591	0.8
189.09203	0.5
189.78760	0.4
195.06422	0.5
207.10104	0.4
229.06790	0.9
237.21991	0.6
245.07852	27.6
286.10440	0.8
293.84424	0.4
305.24677	1.7
317.08435	46.8
323.25757	1.8
327.12421	0.6
341.26425	0.5
355.15530	0.6
359.15143	0.7
539.17365	100.0
540.17444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.7
56.96566	2.4
57.03422	4.2
57.07072	5.5
59.04974	2.5
67.05505	17.9
69.03422	7.8
69.07060	24.4
69.41521	4.4
69.41935	16.5
70.06612	2.3
70.70113	2.1
71.04979	8.0
72.15836	2.3
72.67944	2.3
73.02921	4.2
79.05491	19.5
81.07054	73.7
83.04970	6.5
83.08624	17.1
85.02882	8.1
85.06527	7.2
91.05455	11.7
93.07040	31.3
95.04981	6.7
95.08601	51.9
97.02902	5.3
97.06517	6.9
97.10150	6.6
100.07585	3.4
100.11250	18.8
103.05423	2.5
105.07027	16.0
107.08594	35.9
109.02859	3.1
109.06490	3.1
109.10146	30.7
111.04419	9.6
111.08062	3.4
111.11667	2.5
112.07572	2.4
117.06963	2.9
119.04892	2.9
119.08555	12.7
121.06519	4.0
121.10134	30.6
123.08048	7.4
123.11703	15.0
125.09606	5.4
125.61676	2.4
126.65393	2.2
127.03905	5.3
128.07092	6.8
131.04913	4.8
131.08516	5.1
133.10110	11.5
135.11691	18.0
137.05974	8.5
137.09602	37.2
137.13248	8.0
139.11183	5.3
145.10075	6.5
147.04424	4.7
147.11650	7.2
149.06041	2.3
149.13245	34.3
151.07521	4.3
151.11221	4.9
159.11687	4.8
161.05995	2.6
161.13289	5.7
163.07533	2.7
163.11215	2.5
163.14812	17.8
165.12709	5.0
167.07051	3.2
167.14355	6.3
173.13335	4.8
177.12737	2.3
179.14288	3.7
181.04909	2.2
182.15401	20.8
184.16933	13.2
185.13289	2.8
189.16368	2.7
193.15848	5.9
203.17888	2.3
207.17322	2.9
210.14903	27.0
231.17653	2.2
242.00955	2.3
245.18915	2.3
253.04938	2.9
266.21182	9.6
277.25226	6.7
287.23648	11.6
293.24771	43.3
294.20718	15.0
305.24731	100.0
311.25638	3.9
323.25812	51.0
337.21423	3.7
341.26901	6.4
355.22339	6.3
377.22873	3.7
466.14334	10.9
466.64468	6.8
475.14911	2.6
484.15289	3.1
490.15576	5.5
520.37592	20.0
538.30786	4.6
538.38483	49.1
539.13025	14.6
539.28412	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	538.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97513	1.0
53.03932	1.5
55.01868	1.8
55.05507	9.7
57.03424	2.1
57.07084	6.1
60.57208	1.3
67.05505	11.7
68.99809	1.3
69.03424	9.5
69.06717	1.6
69.07070	24.5
69.57169	9.4
71.05006	3.7
71.08646	2.6
73.02917	2.3
79.05482	6.6
81.03412	3.9
81.07056	35.2
83.04971	1.6
83.08617	17.4
85.02896	11.0
85.06528	2.4
91.05485	6.6
93.07041	16.6
95.04973	3.6
95.08604	33.1
97.02882	4.5
97.06539	1.5
97.10176	5.3
99.04457	1.5
103.03954	1.9
103.05453	1.7
105.07029	13.9
107.04937	2.6
107.08592	23.4
109.02876	4.6
109.06524	4.2
109.10160	22.4
111.08105	4.1
111.11723	4.3
115.03902	2.0
115.05492	1.5
117.06943	1.3
119.08578	11.7
121.06525	4.5
121.10143	22.6
123.11712	13.5
125.05979	1.4
125.13302	1.5
127.03962	3.0
131.04939	2.5
131.08585	3.5
133.06485	6.1
133.10123	14.3
135.11703	9.0
137.05998	4.1
137.09621	16.2
137.13255	8.8
139.11159	1.8
143.08556	1.7
143.13138	1.3
145.10118	3.3
147.04399	3.0
147.08052	5.5
147.11653	8.0
149.05975	2.8
149.09618	3.8
149.13269	10.3
151.07541	1.6
151.11171	2.2
151.14778	2.3
155.10840	1.6
157.10014	2.1
159.11659	2.1
161.05974	14.8
161.09616	14.6
161.13251	3.8
161.68112	1.3
163.11224	3.7
163.14813	3.1
165.09108	6.9
167.07057	10.2
167.10675	4.6
167.14214	2.8
173.13300	2.5
175.07579	9.8
175.11208	5.2
175.14815	3.6
176.08040	1.2
177.05522	2.5
177.16383	3.4
179.07121	1.7
179.10667	6.0
181.08632	1.5
181.12227	5.3
187.07542	2.6
187.14821	1.4
189.16409	2.0
190.09546	1.3
191.17963	3.0
193.08606	24.2
193.10318	2.1
193.12280	4.8
199.14769	1.6
205.08658	7.6
209.08003	1.6
209.13321	5.1
209.18997	2.1
217.16003	1.8
217.19818	1.4
239.23805	2.7
245.22668	5.3
249.18571	1.8
259.08453	1.1
259.24268	2.5
271.80878	1.2
279.26874	5.8
287.23648	4.3
290.37073	1.3
297.27905	2.8
305.24771	30.0
323.25812	100.0
324.26068	2.8
329.13812	1.5
341.26846	65.2
342.27249	1.6
359.27820	6.1
385.99707	1.6
399.28943	1.3
538.15814	3.7
539.12921	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3268
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03923	3.6
55.01852	4.0
55.05505	9.7
57.03426	5.1
57.07064	3.2
63.97348	1.9
65.00891	2.3
66.67122	2.0
67.05499	22.1
69.03423	9.4
69.07064	24.9
69.22010	1.9
69.37469	6.6
69.37895	13.6
71.04978	4.0
79.05498	14.0
79.20561	2.3
81.03413	4.7
81.07054	73.1
83.04974	2.4
83.08602	8.2
85.02896	7.8
85.06543	24.0
91.05466	12.0
93.07038	31.0
95.04948	10.4
95.08601	54.2
97.02885	4.7
97.06496	6.1
97.10161	5.1
99.04438	2.7
99.08082	4.1
103.05443	3.0
105.07019	24.3
107.04940	3.1
107.08591	34.6
109.02901	2.9
109.06496	5.7
109.09449	3.0
109.10152	39.7
111.08102	4.0
111.11692	3.1
116.45915	1.9
117.07021	6.1
117.62808	1.9
119.08576	23.0
121.06490	3.0
121.10122	37.7
121.10926	3.6
123.08104	2.3
123.11700	33.3
125.05967	2.5
125.09588	8.1
127.03892	5.3
131.04903	2.5
131.08568	6.3
133.10124	19.5
135.08029	2.8
135.11671	22.3
137.05968	17.6
137.09627	21.7
137.13249	8.4
139.11177	5.2
145.10146	11.2
147.08038	5.7
147.11711	20.7
149.05948	2.3
149.09634	5.4
149.13234	11.0
151.07574	2.7
151.11093	3.4
153.09070	2.3
153.12816	2.8
157.10101	3.0
159.11700	9.9
161.05966	2.7
161.09558	10.4
161.13239	7.6
163.07483	3.3
163.11165	6.3
163.14822	6.5
165.09120	15.3
165.12723	2.6
167.06978	4.6
167.10663	7.5
171.11639	2.5
173.13286	5.6
175.11171	6.6
175.14807	7.4
177.09097	3.2
177.12784	2.9
177.16383	7.5
179.10709	4.3
181.12180	2.9
185.13237	3.9
187.14804	4.6
189.09172	2.7
189.16371	7.3
193.08585	2.5
193.12257	4.5
201.16338	5.4
203.14301	3.2
203.17931	2.4
219.17404	10.0
229.15767	2.9
231.05141	2.6
235.16713	2.5
243.21046	4.3
257.22595	2.4
259.24216	3.1
267.21121	2.9
267.66830	2.0
271.22672	4.9
277.25229	11.3
285.22067	12.2
295.26251	8.6
303.19690	1.5
303.23166	32.5
309.24289	6.2
321.24225	100.0
327.25189	2.1
339.25272	83.0
357.26447	11.1
519.20221	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3269
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03944	3.4
55.01870	5.0
55.05499	12.8
57.03442	2.9
57.07060	6.3
62.02369	2.0
65.03931	2.2
67.05500	15.9
69.03423	13.6
69.07073	25.4
71.04994	9.6
71.08639	2.4
71.60893	4.0
73.02926	3.2
73.04727	1.8
79.05482	13.8
81.03413	6.1
81.07053	50.6
83.04985	6.3
83.08608	15.6
85.02893	11.0
85.06549	10.9
91.05466	15.0
93.07042	31.1
95.04973	9.7
95.08604	47.9
96.08973	2.0
97.02886	6.2
97.06531	5.6
97.10164	6.6
99.04441	3.0
99.08060	2.4
103.03929	3.1
103.05382	4.3
105.07040	15.2
107.04952	2.6
107.08599	28.5
109.02883	4.6
109.06508	15.6
109.10149	28.4
111.04454	2.7
111.08082	5.8
111.11742	2.5
117.07011	4.7
119.04955	3.6
119.08582	20.4
121.06529	6.9
121.10145	21.4
123.08088	4.6
123.11704	18.6
125.05939	4.3
125.09677	2.3
127.03937	4.2
127.07568	2.7
131.04942	6.3
131.08565	6.7
133.06464	2.6
133.10121	13.6
135.08044	15.5
135.11693	13.4
137.05977	19.8
137.09599	18.1
137.13277	7.2
139.07584	3.1
143.07010	4.2
143.08548	3.0
145.02838	2.3
145.04953	4.0
145.10156	10.0
147.04448	3.7
147.08055	4.7
147.11678	12.7
149.09642	5.2
149.13228	15.1
151.03912	2.6
151.07547	4.4
151.11258	2.6
153.05484	2.4
153.09111	4.1
153.12753	2.4
155.08542	3.0
157.10107	2.6
159.08107	4.1
159.11703	6.3
161.06018	5.2
161.09634	6.5
161.13261	4.0
161.31523	1.9
163.07503	7.6
163.11136	3.8
163.14847	3.0
165.09158	5.9
165.12793	3.4
167.05707	4.4
167.07060	10.6
167.08434	2.2
167.14330	2.4
173.09563	3.6
173.13286	3.7
175.07553	2.9
175.11232	4.2
175.14795	6.9
177.05490	2.3
177.09093	4.0
177.12764	3.4
177.16397	4.5
179.07030	2.8
179.10663	6.9
181.04973	3.0
181.09988	2.1
185.13138	2.2
187.14873	5.2
189.12726	2.0
191.07137	2.9
191.10689	4.7
193.15866	5.6
195.10184	5.4
197.11678	4.2
209.18979	3.9
210.14853	2.7
210.74052	2.0
217.15933	2.3
219.21178	3.0
243.21024	5.1
261.22180	3.7
267.20996	2.8
279.23105	4.9
285.22122	9.0
295.26376	3.5
297.24231	2.8
299.06384	3.7
300.06293	4.5
303.23212	28.2
309.11334	2.3
321.24228	100.0
321.28049	5.1
322.24402	3.2
339.12155	3.7
339.25296	86.9
340.25497	4.4
357.26233	16.0
365.13989	3.3
375.21545	3.5
375.27890	2.7
459.11002	2.8
519.20203	4.2
537.20325	3.9
537.28107	3.8
537.39838	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	537.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01847	4.7
55.05496	4.1
57.03429	48.8
61.02926	19.2
65.03915	2.1
66.52628	1.6
67.05482	5.9
69.03073	3.4
69.03427	50.9
69.07066	8.7
71.01340	6.4
71.04976	6.1
71.60104	2.0
73.02913	100.0
79.05470	6.2
81.03401	10.5
81.07056	11.4
83.04981	3.0
83.08629	2.3
85.02901	88.9
85.06552	1.9
87.04459	6.7
91.03941	4.9
91.05479	10.2
93.07039	9.3
94.04188	1.8
95.04945	5.7
95.08626	11.2
97.02888	78.6
99.04443	7.2
103.03976	1.6
103.05441	3.3
105.07014	8.1
107.04940	6.4
107.08584	9.5
109.02874	9.8
109.06548	4.7
109.10144	9.7
111.04440	5.0
111.50045	2.1
115.03927	59.3
117.06973	3.0
119.04891	3.4
119.08558	4.3
121.06483	5.9
121.10125	6.7
122.03667	2.6
123.04427	4.1
123.08015	2.3
123.11679	4.2
125.05993	3.0
127.03910	36.4
129.07016	2.0
131.04932	5.4
131.08575	4.6
132.06555	3.4
133.04961	22.6
133.06436	1.6
133.10136	3.4
135.11662	6.0
137.05971	36.4
137.09634	4.9
143.08556	1.6
145.04951	46.8
145.06227	2.7
145.06566	2.4
145.10138	3.1
147.11699	3.7
149.05933	3.5
149.09636	2.9
149.13268	2.3
150.07561	10.5
151.03893	4.9
151.07521	8.2
153.05408	2.0
157.10011	1.5
159.07996	2.7
159.11646	2.8
161.05946	7.0
161.13220	2.0
163.03877	1.6
163.05986	15.6
163.07425	3.4
167.07024	25.6
167.08417	2.8
168.05934	1.5
171.08080	10.1
173.13283	2.0
174.06726	2.0
175.07535	4.2
177.05466	2.9
179.06955	4.7
180.08675	1.7
181.04985	4.0
181.06477	8.9
181.08620	1.8
189.09143	5.0
191.07025	5.2
191.10690	1.9
197.11736	5.5
199.07541	16.1
201.09261	2.0
209.07927	1.7
211.07523	2.6
213.03752	2.2
223.05981	6.0
226.08502	2.4
237.08981	2.2
241.06920	10.5
247.07414	2.1
250.08630	4.7
259.08069	6.6
265.08508	5.4
266.09354	2.0
275.53949	1.8
277.08618	3.1
279.10062	1.8
283.09540	2.8
289.25241	2.8
295.10190	8.7
297.11264	2.0
299.05927	2.0
303.23096	2.1
307.09637	2.2
309.11111	4.8
313.10843	4.4
314.11469	2.0
321.24249	4.6
323.12576	3.2
327.12393	3.1
339.12106	5.7
339.25177	2.0
340.11780	2.6
341.13892	5.2
343.11923	3.0
357.12921	4.0
358.12863	12.0
371.14841	3.8
388.14145	3.2
519.19928	2.4
537.20648	13.9
537.28644	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.8
55.01863	1.4
55.14697	0.7
57.03425	1.4
61.02925	2.1
69.03442	3.5
69.97135	4.0
71.04983	0.9
73.02934	0.9
81.03394	2.3
85.02422	1.1
85.02900	12.0
86.03175	0.7
91.03924	0.8
91.05822	0.9
96.97166	0.7
97.02917	5.3
98.21400	1.0
103.05446	1.9
105.07032	0.8
111.04406	0.8
115.05480	4.1
116.98584	1.0
117.03317	0.7
117.07014	5.6
119.04952	0.7
119.08541	0.9
123.04401	1.4
127.03885	2.8
131.04939	4.6
132.05713	0.7
133.06442	1.3
137.05946	1.4
143.04907	3.1
144.05676	1.1
145.02802	1.3
145.04961	2.7
145.06474	15.0
147.04344	1.3
149.05962	2.7
155.05997	1.7
155.07092	1.3
157.06442	1.4
159.04422	1.2
160.05258	1.1
161.06039	1.7
162.03156	1.1
162.07678	1.1
163.07558	0.8
167.05594	0.8
167.06970	1.2
171.04521	1.0
172.05185	1.6
173.05981	14.9
175.07524	2.4
176.04657	1.8
177.05481	11.5
177.06894	1.4
178.06152	0.9
179.07018	2.5
180.08644	3.4
183.06531	0.9
185.06032	0.7
186.06685	0.7
187.07625	1.1
189.05435	1.7
190.06285	1.9
191.07039	16.7
192.04120	1.3
197.05923	1.5
201.05452	5.7
203.07053	1.4
204.04263	1.0
205.04948	3.1
205.08612	19.1
206.05780	1.5
207.04558	1.1
207.06514	18.4
208.07141	0.7
209.08093	2.2
215.07056	1.3
217.04866	1.0
217.08492	1.3
218.05699	3.7
219.06512	13.7
221.08093	1.1
222.05089	1.0
225.07545	1.2
229.04977	2.0
229.08537	1.2
231.06548	1.4
233.08090	29.0
234.08659	0.7
236.06799	1.7
237.07571	4.5
239.09546	0.8
241.04813	0.8
242.10320	1.0
243.06537	1.7
247.06026	6.1
247.08269	0.8
247.09546	1.0
249.07623	5.6
251.09149	13.9
257.08102	2.1
261.07578	4.7
265.07159	1.6
271.05911	1.7
275.09149	3.4
277.06985	1.0
279.08627	100.0
280.08698	1.3
288.06091	0.7
291.08698	0.9
297.09625	1.1
299.06183	2.0
303.08566	7.8
321.09729	11.5
337.09192	2.3
338.09317	1.2
339.10638	18.4
357.11633	2.0
371.61880	0.7
413.22534	0.7
415.03308	0.9
488.45410	0.9
536.18378	1.5
549.40674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2877
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05501	1.5
57.03408	0.7
60.23248	0.7
63.30353	0.7
65.49532	0.6
67.05494	1.6
69.07052	1.1
69.29658	3.8
69.30090	3.7
71.04962	0.6
79.05502	1.5
81.03409	2.4
81.07056	2.6
83.04975	0.7
83.08598	1.1
85.02899	2.8
91.05473	1.8
93.07023	1.5
94.27084	0.7
95.04962	1.5
95.08607	1.2
105.07040	1.4
107.04921	0.9
109.10221	1.4
119.05695	0.7
119.08571	1.6
121.10124	1.0
133.10124	0.9
137.05861	0.7
137.28741	0.7
145.10106	0.8
147.11665	1.1
157.10135	0.9
175.11230	0.7
184.07339	1.6
251.12512	6.1
269.12381	0.7
287.05719	0.9
295.05984	0.8
307.15161	4.9
321.07486	0.7
325.07108	0.9
464.15594	0.7
481.11417	1.2
499.11990	0.8
535.28790	100.0
536.28906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.73489	0.5
55.01854	2.3
55.02094	0.6
55.05495	0.8
56.44894	0.5
57.03432	5.7
57.07067	2.2
61.02908	1.2
65.03930	1.4
67.05493	1.3
69.03424	4.5
69.32380	5.9
70.03734	1.1
70.38279	0.5
71.01339	0.8
71.04992	7.2
73.02918	8.2
74.03248	1.5
79.05480	1.6
81.03421	1.5
81.07043	2.4
83.04955	0.6
84.08132	1.9
85.02898	14.0
85.07661	0.7
87.04430	0.8
89.03836	0.7
91.05460	2.1
93.03370	0.6
93.07023	2.0
95.04945	2.2
95.08588	1.5
97.02900	5.9
98.03242	0.7
99.04416	0.8
99.08102	0.6
101.06025	0.6
103.05474	4.4
105.07037	1.4
107.04947	3.9
107.08595	1.2
109.02888	0.9
109.06525	0.7
109.10114	1.0
111.04416	0.6
115.03936	3.0
115.05446	0.8
116.04297	0.7
119.08573	0.8
121.02870	3.0
121.06491	2.9
121.10153	0.8
122.03147	0.7
123.04424	2.1
124.03904	1.2
125.05956	0.6
127.03900	2.0
128.04266	0.6
128.06277	0.7
129.05469	1.0
129.06995	5.3
130.35255	0.6
131.04913	5.4
131.08588	0.9
133.04950	0.7
133.06494	1.5
136.86070	0.6
137.05981	11.8
137.09561	0.7
139.11118	0.6
144.06593	1.0
145.02876	1.0
145.04903	1.0
145.06483	1.2
147.04413	0.6
147.11714	0.7
148.05249	0.6
149.02335	100.0
149.05952	8.2
150.02667	48.8
151.03780	0.8
151.07527	2.3
157.06471	6.2
159.04398	1.1
161.05952	3.2
163.03896	0.7
163.07501	3.4
167.03419	3.7
167.05617	1.3
167.07039	26.8
168.03746	2.1
173.06003	1.0
174.06795	1.5
175.07500	1.8
177.03995	0.4
177.05453	12.5
177.09117	0.8
179.07034	0.6
181.04971	6.6
181.06413	0.7
181.08597	0.8
183.40504	0.6
185.05969	2.3
187.07501	1.3
189.09081	6.2
191.07039	1.6
191.10660	0.7
193.08614	1.8
199.07576	1.0
201.09099	0.6
205.08627	3.2
206.09009	3.0
207.06490	0.7
209.08055	1.5
209.20045	0.6
211.09671	0.7
215.08540	0.6
217.08582	3.3
219.08098	0.7
223.09624	17.3
224.09988	18.0
233.09589	0.8
240.07692	0.7
241.08553	3.8
251.07111	0.8
261.09064	2.0
265.08603	1.2
269.08441	0.8
277.08682	1.2
278.09317	0.7
279.10257	1.0
283.09616	0.6
293.11670	1.2
295.06061	0.7
303.10291	0.6
307.09671	1.8
321.10886	2.0
339.12173	0.7
355.11557	1.1
371.14871	56.7
372.15192	0.7
379.08383	0.8
389.15765	1.0
427.10593	0.6
451.10364	0.7
469.11371	1.0
481.11469	0.9
499.12466	1.3
505.20020	0.6
535.19891	1.3
535.28351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01856	2.4
55.89213	0.6
57.03436	7.2
57.07067	2.4
58.07396	0.6
61.02922	1.9
65.03924	1.0
67.05499	1.3
69.03421	5.3
69.07046	1.2
69.34646	5.2
69.35055	1.1
70.03777	0.6
71.04988	7.7
73.02914	9.9
74.03238	0.6
75.04451	0.6
79.05487	1.5
81.03423	1.1
81.07036	1.7
83.04980	0.8
84.08138	2.0
85.02901	12.7
86.03237	0.8
91.05462	2.9
93.07061	1.6
95.04955	2.1
95.08605	1.2
97.02896	6.4
98.03216	0.9
99.04449	0.7
103.05453	5.8
105.07024	2.0
107.04965	3.6
107.08584	1.5
109.02869	1.5
109.06509	0.7
115.03927	3.1
116.04278	1.2
121.02863	3.5
121.06497	2.0
122.03239	0.8
123.04443	1.8
123.08031	1.0
123.11713	1.0
124.03909	1.4
124.05260	0.7
127.03903	1.8
128.06195	1.9
129.05522	1.2
129.07007	6.5
131.04918	6.1
131.08606	1.2
133.04922	0.7
133.06487	2.0
135.04410	1.0
137.04993	1.1
137.05977	12.9
145.04951	1.6
145.06483	1.0
147.04430	1.2
147.11636	1.0
149.02336	100.0
149.05949	8.0
149.09627	0.9
150.02669	52.6
151.03897	1.0
151.07555	2.4
151.34914	0.6
153.05525	0.7
155.07123	0.8
157.06468	6.4
159.04408	1.1
159.11731	0.7
161.05968	4.1
163.03918	1.0
163.07544	2.4
167.03378	2.7
167.05608	1.4
167.07034	26.0
168.03683	1.1
171.06595	0.6
174.06741	2.9
175.07526	2.1
177.05475	12.0
181.04974	6.2
181.08461	0.8
185.05957	1.4
187.07520	0.9
189.09108	7.1
190.04892	0.8
191.07053	0.8
191.10841	0.8
193.08615	1.9
197.78406	0.6
203.07010	1.6
205.06668	1.0
205.08517	4.2
206.08888	3.3
207.06467	1.1
211.09651	1.2
217.08626	4.1
218.07265	0.7
219.10139	1.0
223.07712	0.8
223.09642	18.5
224.09981	19.4
233.09688	1.4
241.08704	3.2
247.07498	0.7
249.08867	0.7
251.07178	1.0
260.82455	0.7
261.09137	2.0
263.06989	0.9
265.08408	0.9
277.08542	1.4
278.09412	0.9
293.11777	1.1
295.05804	0.9
303.10175	0.8
307.09644	1.2
316.81732	0.6
321.10803	1.9
322.11981	0.6
325.07095	0.7
333.07401	0.9
339.12335	1.4
349.06921	0.8
371.14883	55.5
372.15320	0.9
372.53537	0.7
373.30579	1.5
379.08167	1.4
380.95456	0.6
385.11316	0.6
389.16220	0.7
433.08719	0.8
469.11200	1.6
481.11411	1.3
499.12555	0.8
535.20233	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03430	7.9
61.02920	2.8
62.86997	0.6
65.03918	0.8
68.99796	0.8
69.03427	2.2
69.07055	0.7
69.47153	1.0
69.47557	4.4
71.01324	0.7
71.05002	0.7
73.02908	16.8
79.05467	0.7
81.07050	1.5
85.02890	1.6
93.07053	0.7
95.04938	1.1
97.02872	1.0
97.18521	0.5
98.21478	0.7
107.04912	0.8
107.08588	0.7
109.10143	0.6
115.03910	1.0
119.04955	2.5
119.08521	0.7
121.02859	11.6
121.10146	0.8
131.04951	0.7
133.10240	0.7
135.11673	0.6
137.05986	1.6
145.02805	3.5
147.04396	0.9
149.05963	0.7
161.05948	1.7
163.03912	3.5
165.01784	4.2
167.03438	1.6
167.06963	0.8
175.03923	1.6
175.07567	0.8
175.14845	0.9
179.03325	1.1
183.02924	3.8
187.03911	1.3
191.03426	1.6
195.02885	1.3
201.05498	0.7
203.03368	2.5
203.06976	1.3
205.04784	0.8
207.02843	1.6
221.04417	2.1
229.04977	1.8
231.02919	1.5
249.03807	1.0
267.06519	4.4
270.05179	2.0
271.06027	5.2
273.04047	0.7
279.06567	2.6
281.08054	8.5
283.05991	62.8
284.06683	6.8
287.05521	0.9
287.09103	0.7
293.07910	3.7
294.05237	1.2
295.05966	10.8
295.09283	0.7
296.06537	0.7
297.04144	1.3
297.07474	11.0
305.08087	1.4
307.05975	5.9
308.06650	1.5
309.04257	0.9
309.07532	26.5
310.08023	0.7
311.09128	3.0
313.07034	45.8
319.22614	0.7
320.06674	0.7
321.07535	32.7
325.07031	9.0
333.07770	1.1
335.09241	1.1
337.07022	57.0
338.07489	1.0
339.08533	2.6
346.48495	0.7
349.07037	34.0
351.08701	1.0
361.06891	1.1
367.08081	73.2
368.08398	0.9
373.07208	0.8
375.08533	0.7
379.08054	2.8
385.09122	29.6
391.08096	2.7
397.09195	1.8
403.10202	100.0
404.10651	1.3
409.09375	1.8
426.46124	0.6
427.10010	1.3
433.08994	1.1
445.11072	1.3
463.10477	0.7
467.43433	0.7
469.11456	2.7
481.11264	3.6
488.39334	0.6
499.12314	4.0
517.13556	2.3
535.14337	4.0
535.20782	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79091	1.5
55.01877	8.4
59.18471	1.9
61.02921	5.0
61.51200	1.6
65.03949	2.1
69.52534	14.1
75.49110	1.5
81.03362	1.6
94.19846	1.5
97.02871	2.4
98.20750	3.9
119.04952	12.1
121.02867	42.4
123.03534	1.5
145.02864	7.8
147.04460	2.4
157.18822	1.7
163.03958	2.0
166.27423	1.6
175.03908	3.1
177.01846	2.5
179.03343	2.7
185.05991	1.9
187.03920	2.8
187.74884	1.8
189.01852	5.6
191.03354	6.0
195.02878	9.2
199.03896	2.1
201.05473	2.1
203.03374	17.3
205.04953	4.8
207.02869	6.9
215.03362	7.8
217.04959	6.6
219.02864	5.5
221.04477	8.2
227.03369	3.4
229.04926	3.1
231.02866	2.4
233.04472	5.4
239.07063	2.1
241.05014	2.9
243.02908	4.2
245.04488	4.8
251.06866	2.4
261.03802	1.8
267.06253	2.3
268.07272	4.6
269.04819	1.6
271.05768	2.0
273.03964	4.2
279.06522	5.5
280.07391	2.3
281.08051	5.2
283.06039	5.8
291.06628	3.4
293.07993	4.8
294.05133	16.3
295.05984	62.4
295.09360	3.9
296.06787	6.3
297.07367	11.0
304.07120	2.3
305.07971	3.1
306.08710	3.5
307.06006	52.3
307.09552	3.7
308.06702	17.9
309.04120	2.8
309.07498	20.7
313.06952	4.2
317.07983	5.7
319.05844	3.8
320.06906	10.5
321.07599	51.9
322.08347	7.2
323.05713	2.5
323.09204	7.7
325.07050	49.2
327.05276	1.8
329.08032	6.1
331.06155	2.3
333.07556	29.4
334.08243	6.8
335.05502	2.5
335.09030	18.4
336.06390	3.9
337.07019	39.8
339.08624	6.0
345.07529	17.6
347.09091	7.2
348.06375	2.4
349.07047	46.5
349.10635	1.9
350.07672	1.8
351.08652	23.7
355.08194	3.3
359.09073	4.2
361.07037	27.1
361.10989	1.9
363.08643	32.4
367.08118	10.5
373.07117	21.6
373.11786	2.9
375.08551	14.7
377.10336	3.8
379.08109	68.9
381.09793	1.9
387.08643	6.1
389.10193	5.2
391.08121	61.8
393.09500	6.1
397.09161	46.8
399.08658	5.5
403.07993	13.2
405.09436	9.5
409.09192	64.0
415.08344	11.9
417.09641	5.9
421.09152	3.9
427.10284	53.6
433.09143	27.8
439.10568	2.0
445.10297	20.9
451.10220	30.2
463.10275	23.7
469.11301	78.8
476.45267	2.3
481.11285	100.0
499.12354	94.0
517.13428	38.2
535.14380	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	535.1441
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
54.35768	1.2
55.01873	8.3
60.73611	1.4
61.02895	1.3
65.03940	1.3
69.86211	7.9
71.05544	1.2
97.02861	1.8
107.04948	2.8
119.04948	7.3
121.02864	32.6
123.24746	1.3
135.04396	2.2
145.02850	4.4
158.57658	1.8
159.04420	2.0
175.03882	2.0
179.03519	1.7
187.03896	2.4
189.01833	6.3
191.03381	3.5
195.02863	6.5
199.03882	2.6
201.01709	1.9
201.05377	1.5
202.02415	1.4
203.03413	13.7
205.04898	2.0
207.02890	4.7
209.04420	2.1
215.03302	7.9
217.04886	4.4
219.02798	1.8
221.04471	7.5
229.04948	2.4
231.02808	3.2
233.04391	4.0
239.95143	1.7
241.05038	2.0
243.02902	3.8
243.06532	1.6
245.04440	2.6
252.54803	1.5
255.02921	1.9
261.03931	2.7
268.07428	1.8
271.06046	1.6
273.03781	2.7
279.06586	3.6
281.08066	2.7
283.06009	5.0
291.06516	1.6
292.07202	3.4
293.08057	4.9
294.05215	11.9
294.08356	2.1
295.05957	54.6
296.06732	5.0
297.07532	6.0
305.08203	2.1
306.08850	2.4
307.05984	40.0
307.09546	3.3
308.06696	14.9
309.07553	14.6
313.06970	2.4
317.08066	4.7
319.05969	6.9
320.06619	9.6
321.07544	43.7
322.08224	5.7
323.05728	1.8
323.08975	7.1
325.06989	37.2
326.07632	1.8
329.08069	3.8
331.05746	2.0
333.07544	24.2
334.08322	4.6
335.05475	2.2
335.09033	16.4
336.06082	1.9
337.06995	28.7
337.10977	1.5
339.08548	3.9
345.07568	14.9
346.08157	2.3
347.08957	6.8
349.07016	37.8
350.07687	2.3
351.08615	18.1
355.08102	2.8
359.09070	5.8
361.06973	25.8
361.10983	1.9
362.07697	2.1
363.08594	23.6
364.09042	1.8
365.10242	1.7
365.46490	1.5
367.08032	8.4
373.06955	16.5
375.08582	13.7
377.10095	2.0
379.08096	55.6
380.08667	1.7
387.08636	7.5
389.09982	4.6
391.08078	45.4
393.09482	3.4
397.09195	41.5
399.08441	4.6
403.08102	14.7
405.09558	10.0
409.09146	46.3
415.08099	11.4
417.09625	8.0
421.09048	5.5
427.10263	32.7
433.09100	27.6
445.09753	19.5
451.03851	1.6
451.10226	29.8
463.10141	25.1
469.11285	71.5
470.11264	1.9
481.11264	96.2
499.12323	100.0
517.13379	39.1
535.14514	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	535.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10745	2.7
55.01862	9.5
61.34221	2.8
65.60744	2.6
68.62303	2.3
69.34332	24.6
70.65563	2.7
83.50793	2.4
92.04536	2.4
107.04966	3.1
114.04945	2.7
119.04967	6.9
121.02841	37.7
131.44200	2.8
135.04402	2.6
145.02870	4.1
151.03802	2.7
159.04446	3.3
187.03932	5.0
189.01801	4.6
191.03397	5.3
195.02985	8.4
199.03984	4.3
203.03340	13.7
207.02901	7.4
215.03392	6.6
217.05048	5.6
219.02948	4.3
221.04550	4.2
229.05023	2.7
233.04410	5.7
241.05135	2.6
243.02945	5.3
255.02802	2.7
257.04507	3.3
268.07269	3.8
289.08289	2.7
292.07172	3.0
293.08047	2.8
294.05179	11.1
295.06003	57.7
296.06720	4.2
297.07730	4.7
307.05981	44.3
307.09518	4.8
308.06699	17.1
309.07581	18.8
317.07947	3.5
319.05936	5.0
320.06747	8.3
321.07550	53.7
322.08356	7.1
323.09186	5.6
325.07071	35.8
329.08072	4.3
333.07565	28.1
334.08380	4.4
335.05441	4.1
335.09052	18.0
336.06296	3.0
337.06982	37.4
345.07562	15.9
347.09073	11.5
349.07004	50.1
351.08618	17.1
355.08044	2.8
359.09134	6.5
361.06946	24.4
361.10764	3.7
362.07458	3.9
363.08633	22.1
367.08185	10.9
373.07095	16.7
375.08542	14.9
377.10156	3.2
379.08102	57.0
387.08594	8.3
389.10172	5.2
391.08078	39.4
393.09982	3.6
397.09116	37.6
399.08710	6.0
403.08301	14.0
405.09540	10.0
409.09137	51.1
415.08359	11.9
417.09677	5.9
427.10190	29.1
433.09027	31.1
445.09250	13.8
451.10168	36.5
458.65781	2.9
463.10315	25.1
469.11240	59.5
481.11237	100.0
499.05045	3.0
499.12347	62.8
517.13281	21.2
535.14203	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	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03925	1.1
55.01852	1.2
57.03410	1.2
61.02901	0.9
62.16001	0.4
63.04926	0.4
67.05476	1.4
68.99780	0.9
69.03424	10.7
69.07046	0.7
69.73428	2.2
70.06567	0.5
71.04974	1.4
73.02904	1.1
79.05466	1.1
81.03409	5.5
81.07030	2.3
83.01327	0.4
83.04967	0.9
85.02901	8.5
85.06515	0.7
86.09698	0.4
87.00832	3.2
91.03906	0.6
91.05460	1.6
93.07042	1.8
95.04951	0.9
95.08588	1.5
97.02879	7.8
97.06524	0.9
98.21395	0.7
98.97578	0.4
99.04420	1.4
103.05433	0.5
105.01852	2.0
105.07037	1.7
107.04941	1.2
107.08566	1.5
109.02879	3.3
109.06503	0.7
109.10124	2.4
111.00779	0.8
111.08158	0.4
115.03897	0.5
117.01823	0.5
119.04906	0.9
119.08566	1.2
121.02852	4.8
121.06506	0.6
121.10110	1.6
122.03611	0.5
123.04415	0.4
123.08011	0.6
123.11656	0.7
127.03908	5.7
129.06990	0.8
131.04857	0.5
131.08516	0.6
133.02861	0.7
133.10106	0.8
135.08006	0.5
135.11678	1.5
137.02313	0.9
137.05978	4.4
137.09627	0.6
139.11086	0.8
141.01813	0.4
145.02966	0.6
145.04918	1.2
145.06444	0.7
145.10143	0.5
147.04375	1.1
147.11696	0.6
149.05949	1.0
149.09604	0.8
149.13249	0.6
151.03954	0.5
151.07469	0.7
151.11208	0.4
153.01840	3.9
153.84662	0.4
157.06448	0.6
159.02869	1.5
159.11636	0.9
161.05972	1.4
163.03862	0.4
163.07513	0.6
164.06929	0.4
165.01801	1.5
165.05463	0.4
167.07047	2.5
169.06595	0.4
175.07458	0.7
175.11095	0.4
175.14778	0.9
177.05472	2.4
179.06944	0.5
181.04924	0.5
183.02927	0.7
185.05971	0.8
187.07603	0.5
189.09001	0.4
191.07068	0.5
193.15822	0.9
201.05458	0.6
203.03398	0.8
203.06947	0.4
211.16943	1.3
213.05435	1.3
231.04982	1.7
231.06911	0.4
241.04947	1.0
247.07822	0.4
251.06972	0.4
258.05219	1.3
259.06061	0.6
271.05933	1.1
277.08524	0.5
283.06064	0.6
287.05472	100.0
288.05734	0.9
293.07971	0.5
295.06091	2.3
299.05411	1.3
307.05930	1.6
308.06879	0.9
309.07538	1.0
309.11029	0.5
321.07526	1.7
325.06931	1.5
333.07489	0.9
333.11237	0.5
335.05450	0.5
335.09232	0.7
337.07013	1.3
337.10593	0.7
337.23923	0.5
345.07599	1.0
349.06985	2.5
351.08612	0.7
353.10138	0.8
354.10550	1.6
355.11121	3.0
361.06830	0.8
363.08609	1.1
365.06674	0.7
367.07938	0.8
371.14941	3.2
373.07419	0.4
378.68814	0.4
379.08154	2.4
387.08588	0.5
391.08032	1.7
397.09174	1.5
409.09137	1.9
427.10074	1.2
433.09094	1.2
451.10260	1.3
452.64349	0.4
469.11230	2.3
471.51480	0.4
481.11316	3.0
499.12155	3.1
517.13434	1.5
535.19824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1078
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.66557	0.1
51.30947	0.1
53.03939	1.5
55.01864	1.3
57.03424	1.0
61.02923	0.9
65.10540	0.2
65.81367	0.1
66.82655	0.1
67.01809	0.2
68.99785	1.2
69.03422	6.0
70.19029	0.6
71.04990	0.8
73.02907	1.5
76.09034	0.1
79.05500	0.1
81.03408	7.0
83.01309	0.2
84.38409	0.2
85.02898	10.0
87.00821	4.7
87.04468	0.2
90.43901	0.2
91.03939	0.5
95.04944	0.2
97.02882	4.1
97.03503	0.3
99.04448	2.7
105.01846	2.7
105.03376	0.2
107.04924	0.4
109.02869	6.3
111.00790	0.6
117.01832	0.9
121.02850	2.3
127.03907	9.2
129.01817	0.7
131.04819	0.2
133.02821	0.4
135.04356	0.2
137.02309	0.5
137.05981	0.2
141.07086	0.2
145.04947	2.7
147.02881	0.5
147.04361	0.5
153.01820	3.3
157.06451	0.3
159.02879	4.1
161.05925	0.2
165.01839	1.6
171.04384	0.3
183.02901	0.6
185.05956	0.4
189.05544	0.2
203.07002	0.3
212.04645	0.2
213.03708	0.2
213.05490	1.1
231.04707	1.1
231.06973	0.3
241.04936	0.5
243.06461	0.2
258.05286	0.8
259.06107	0.3
263.05322	0.2
287.05469	100.0
288.05838	0.9
329.06693	0.2
367.08340	0.2
409.09012	0.2
481.11334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1078
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03928	0.6
55.01857	0.5
56.79633	0.2
57.03418	0.6
58.23011	0.2
61.02906	0.7
68.99789	0.9
69.03081	0.4
69.03427	5.7
69.43503	2.3
70.02284	0.2
71.04967	0.6
73.02906	1.2
73.39310	0.2
81.03419	3.8
81.07030	0.6
85.02897	4.5
87.00823	3.9
91.03946	0.7
91.05434	0.2
93.07072	0.4
95.04964	0.4
97.02885	3.0
99.04469	1.2
105.01873	1.9
105.03368	0.4
105.07055	0.5
107.04956	0.4
107.08583	0.4
109.02869	1.9
109.10157	0.8
111.00785	0.6
117.01830	0.8
119.04947	0.3
120.08080	0.3
121.02850	3.2
121.10137	0.5
123.11714	0.2
127.03916	4.1
133.02834	0.5
133.10107	0.4
137.02310	0.6
137.05974	0.7
139.11087	0.3
145.04942	1.8
145.06548	0.2
145.10063	0.3
146.04066	0.2
147.04411	0.4
149.05872	0.3
153.01816	3.4
157.06430	0.5
159.02875	4.1
161.05995	0.6
163.03937	0.3
165.01842	1.8
175.07504	0.2
181.04922	0.2
183.02888	0.7
185.05943	0.6
203.06985	0.3
213.03688	0.3
213.05457	1.5
231.04813	2.4
241.04938	0.6
258.05283	0.9
259.38547	0.2
271.05957	0.8
283.05911	0.9
284.06894	0.3
287.05484	100.0
288.05737	0.9
295.06024	0.9
297.07581	0.4
307.06183	0.4
309.07602	0.4
313.07092	1.1
319.22659	0.3
321.07614	0.9
325.06992	0.6
337.07141	1.3
337.23434	0.5
349.06961	0.6
367.08002	1.5
379.08035	0.9
385.09497	0.5
391.08554	0.5
397.09085	0.4
403.10287	1.3
409.08865	0.8
427.10583	0.4
433.09247	0.4
469.11581	0.9
481.11301	1.4
499.12149	1.0
517.12915	0.3
535.14398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05511	18.4
57.03434	9.0
57.07077	12.6
61.02901	6.4
63.39824	1.9
65.03922	2.3
67.05508	89.6
69.03419	4.3
69.07069	27.1
70.67046	3.8
70.67386	4.8
71.04990	2.2
71.08617	3.3
79.05498	26.8
81.03427	3.0
81.07055	100.0
83.08617	21.0
85.02907	6.6
85.06532	4.4
85.10202	3.0
87.04427	3.0
89.06025	3.1
91.05480	15.3
93.07036	25.8
95.04943	2.6
95.08607	83.5
97.02885	2.7
97.06525	8.2
97.10181	15.6
99.04430	3.1
99.08093	6.4
105.07032	14.5
107.08590	16.5
109.10164	42.7
111.08076	5.0
111.11716	4.6
117.07014	2.8
117.72538	2.1
119.08598	14.5
121.10146	27.0
123.11707	21.3
125.09605	3.2
127.11280	2.5
131.08482	4.1
133.10114	14.9
135.11707	16.1
137.09633	2.2
137.13283	11.4
139.11168	2.4
141.12732	3.3
147.11691	12.6
147.42049	2.3
149.13258	16.7
151.14835	7.2
155.14317	3.6
161.13283	14.2
163.14801	14.1
165.12772	2.4
165.16400	8.8
175.14812	12.8
179.14311	2.5
179.17978	8.2
189.16379	5.8
203.17966	2.6
227.20113	13.3
245.22675	74.5
263.23709	99.8
279.08298	2.1
281.25098	2.4
337.27353	48.3
355.28275	6.3
371.25864	4.8
389.26810	4.5
425.28906	2.4
534.40979	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.40137	1.3
55.05507	20.1
57.03439	7.0
57.07069	9.2
60.08145	1.7
61.02906	5.7
61.98258	1.3
65.03941	2.0
67.05499	77.9
69.03392	1.4
69.06715	2.0
69.07062	28.0
69.86074	4.5
71.04981	3.6
71.08615	5.9
73.02936	1.8
75.04440	1.8
78.81362	1.1
79.05482	22.4
81.03405	2.0
81.07050	96.9
83.04958	2.0
83.08614	23.7
85.02881	6.3
85.06542	3.0
85.10178	2.7
85.48833	1.3
86.09695	3.4
91.03945	2.2
91.05476	15.4
93.06467	1.6
93.07035	27.9
95.04966	1.8
95.08600	82.9
97.02873	3.3
97.06519	6.8
97.10157	13.8
98.21528	1.3
99.08073	3.9
104.10734	6.4
104.11336	1.2
105.07012	11.2
107.08578	19.5
109.10146	44.5
111.08049	5.4
111.11684	3.7
116.03405	1.4
119.08566	15.0
121.10137	21.6
123.08090	1.3
123.11692	22.3
125.13248	1.9
127.11136	1.6
133.10126	18.6
135.11664	13.0
137.00264	1.2
137.09621	3.3
137.13213	8.5
141.12714	3.0
141.20218	1.2
147.11667	12.5
149.13214	14.0
151.11084	1.6
151.14786	7.0
155.14252	3.8
161.13252	17.0
163.14789	9.5
165.16409	11.6
175.14828	13.1
177.16478	2.0
179.17934	6.8
181.15878	2.3
184.07324	4.4
189.16386	5.1
203.17934	2.3
217.19398	1.5
245.22629	63.2
255.59621	1.3
263.23676	100.0
281.24658	2.0
284.18835	1.6
337.27325	63.8
355.28375	7.4
499.32303	2.6
534.35266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01883	0.9
55.05511	7.4
57.03438	12.0
57.07061	4.0
57.12249	0.8
60.34516	0.9
61.02926	4.4
61.21511	0.9
61.81918	0.8
67.05503	16.1
69.03429	13.9
69.06714	1.7
69.07066	18.9
70.95975	1.2
70.96314	2.2
71.01333	1.7
73.02914	31.1
73.87654	0.9
77.50903	1.0
79.05492	17.6
81.03414	2.3
81.07054	95.1
83.08627	4.9
85.02419	1.9
85.02905	27.6
85.03425	1.6
87.04457	1.4
91.03912	1.2
91.05475	7.9
93.07040	50.8
95.04948	3.0
95.08605	50.3
95.09222	1.4
97.02895	32.6
97.10162	3.3
99.04454	2.4
99.80141	0.9
105.07031	4.7
105.99426	1.1
107.08588	29.2
109.02863	3.3
109.10153	35.4
109.34735	1.0
111.11716	2.5
115.03926	28.1
119.08578	1.7
121.10141	100.0
123.11711	14.2
127.03905	13.3
133.04971	9.3
133.10153	1.5
133.82565	1.0
135.11696	22.2
137.13231	5.4
144.06509	1.3
145.04945	14.8
149.13254	40.0
150.07593	1.9
163.05998	4.9
163.14825	3.5
184.07324	3.6
205.19521	24.7
220.68752	0.9
222.22189	1.5
223.05989	4.6
241.07082	5.3
259.08160	6.9
295.10156	7.9
322.06482	1.0
325.88416	1.0
462.41098	1.1
477.72433	1.0
516.30121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00015	1.3
53.03936	1.8
55.05499	5.2
57.03440	16.2
57.07064	4.2
59.74011	1.5
61.02911	5.1
65.03943	1.9
65.33987	1.4
67.05505	12.2
69.03423	19.4
69.07059	16.7
69.99254	8.0
71.01357	2.0
73.02913	35.9
76.58944	1.4
79.05495	12.6
79.90368	1.4
81.03415	2.6
81.07054	100.0
83.08597	4.3
83.87817	1.4
85.02416	2.8
85.02900	30.2
87.04445	1.9
91.05456	5.7
93.07043	26.5
95.04942	2.3
95.08602	35.3
97.02889	35.1
97.10164	3.1
98.21423	1.7
99.04468	2.1
99.08109	1.5
105.07025	3.1
107.08595	17.3
109.02882	4.2
109.10148	26.8
111.11721	2.8
115.03931	31.5
115.06168	1.6
121.10137	41.9
123.11700	13.1
125.64542	1.5
127.03905	12.2
133.05005	9.6
135.11693	13.2
137.13249	11.3
145.04962	17.1
149.02284	1.7
149.13252	26.9
150.07616	2.8
163.06012	6.9
163.14789	1.7
179.17964	1.6
197.79218	1.5
205.19521	13.4
223.06004	5.7
241.07100	4.4
259.08170	7.4
295.10248	7.6
320.60614	1.6
330.63895	1.5
386.37152	1.6
524.26447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
57.03181	0.3
57.03434	3.2
57.07072	1.6
61.02917	1.0
64.89104	0.2
65.03925	0.7
65.45151	0.2
67.57687	0.2
69.03426	2.9
69.07042	0.3
70.74402	0.4
71.01341	0.4
71.04980	0.3
73.02913	5.9
81.03399	0.5
81.07079	0.2
85.02897	4.4
87.04440	0.3
93.03388	0.2
93.07034	0.3
95.08600	0.4
97.02881	4.0
105.07026	0.5
107.08618	0.2
109.02859	0.3
109.34833	0.2
111.04421	0.2
115.03907	2.3
121.02868	2.3
121.10096	0.3
123.08041	0.5
127.03889	0.9
131.04959	0.2
131.08553	0.2
133.04950	0.6
133.10059	0.2
143.10626	0.2
144.06566	0.7
145.04945	0.7
145.10240	0.3
149.02332	100.0
150.02692	0.7
153.05450	0.2
158.71310	0.2
159.27684	0.2
162.07617	0.3
167.03391	2.9
167.07039	0.3
167.14339	0.2
180.08577	0.4
190.04990	0.6
192.14632	0.2
195.06482	0.2
205.08594	4.1
223.09639	24.2
224.09941	0.2
246.56598	0.2
251.16318	0.3
290.10617	0.2
294.12015	0.3
347.75433	0.2
534.41803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72812	0.2
55.01866	0.5
55.05496	0.2
55.06059	0.1
56.85653	0.2
57.03433	3.6
57.07071	4.2
58.99187	0.2
61.02932	0.9
63.10409	0.2
65.03943	0.7
66.76810	0.2
67.05516	0.2
69.03429	3.2
69.07062	0.5
69.20603	0.2
69.23177	0.2
70.74287	0.3
70.74690	0.4
71.01353	0.5
71.05004	0.3
73.02913	7.4
79.05474	0.4
80.01283	0.2
81.03416	0.5
81.07043	0.4
83.04976	0.2
84.89936	0.2
85.02899	5.0
87.04466	0.3
89.85838	0.2
91.03918	0.2
91.05489	0.4
91.96236	0.2
93.03414	0.3
93.07033	0.2
95.08601	0.4
96.04489	0.4
97.02885	4.5
98.97574	0.3
105.07034	0.3
105.09093	0.2
106.02920	0.6
107.08592	0.3
109.02883	0.6
109.10157	0.5
115.03917	2.7
116.98652	0.2
119.08545	0.3
121.02852	1.9
124.03942	3.2
127.03915	1.7
131.04948	0.2
132.06584	0.2
133.04977	1.0
133.10138	0.3
137.05966	0.5
139.03897	0.8
144.06540	0.6
145.04903	1.1
149.02333	100.0
150.02649	0.5
150.07594	0.3
162.07709	0.4
163.06064	0.3
167.03394	8.1
167.07059	0.4
173.13249	0.2
177.05501	0.4
180.08733	0.7
190.04955	0.9
193.05013	0.2
200.12444	0.2
205.08589	2.7
223.09636	32.8
241.07184	0.2
250.07259	0.2
251.16452	0.3
268.08072	1.1
272.14536	0.3
279.45883	0.2
281.15118	1.6
294.11737	0.4
302.85318	0.2
312.12704	0.2
339.11902	0.2
371.14725	0.9
402.15118	0.9
407.89130	0.2
447.74448	0.2
534.26569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01870	1.7
57.03437	2.2
60.01639	0.3
60.04533	0.3
60.47745	0.3
61.02924	4.0
69.03069	0.5
69.03425	7.2
71.01357	0.3
71.04986	1.6
71.49486	0.5
71.49834	0.4
73.02909	1.2
73.05787	0.3
81.03414	3.8
83.04964	0.4
85.02900	28.1
87.04457	1.2
89.93276	0.3
91.03937	2.0
91.05437	0.5
95.04958	0.7
97.02890	9.2
98.97553	0.3
99.04450	1.4
103.05448	0.4
109.02873	2.6
111.04417	0.8
113.02373	0.4
115.03912	0.4
115.05410	0.6
117.03381	0.3
117.06982	0.5
119.04913	0.4
123.04437	0.7
125.05975	1.1
127.03905	5.5
131.04906	3.2
137.02359	0.3
137.05949	1.7
139.00246	0.5
141.06981	0.9
143.04916	1.0
145.02879	0.5
145.04955	5.4
145.06465	1.1
147.04422	1.0
149.05968	1.9
151.03912	4.5
153.01773	0.3
153.05472	2.3
155.04922	0.3
157.06454	0.7
159.04396	1.2
160.05168	0.8
161.02336	0.5
161.05965	1.2
162.03178	0.4
162.07597	0.5
163.03952	0.4
163.06148	0.5
163.07550	1.1
165.01804	0.7
165.05521	0.5
167.05017	0.4
169.04977	0.8
169.06471	2.6
171.04414	2.3
173.06001	0.7
175.03899	0.9
175.07549	0.9
176.04688	1.3
177.05457	12.8
179.03404	0.3
179.07037	0.4
180.08708	2.5
183.04408	1.0
185.05965	1.2
186.06702	0.6
187.03918	0.6
187.05965	0.9
187.07556	1.4
188.04697	0.4
189.01955	0.6
189.05412	2.1
190.06291	0.5
191.07019	14.8
195.02863	0.9
195.04628	0.3
195.06502	1.4
196.05251	0.5
197.05972	2.8
198.06747	0.3
199.03900	1.3
199.07596	0.3
200.04720	1.3
201.05429	1.0
201.09105	0.3
202.02655	0.4
203.07014	4.5
204.04214	0.6
205.04945	1.2
207.06485	3.7
211.03868	0.4
211.07585	0.8
212.04736	0.5
213.03783	0.7
213.05579	1.4
214.06204	2.5
215.07002	4.3
216.04158	0.9
217.04984	3.7
217.08505	1.6
219.06520	13.5
221.04462	5.9
227.07008	2.1
228.10455	0.4
229.04900	0.7
229.08603	4.9
231.06613	7.5
233.04478	0.6
233.08110	1.1
235.05695	0.4
239.06937	0.3
241.04857	0.4
242.05714	1.2
243.06519	3.6
245.04466	0.6
245.08090	2.9
247.05911	0.5
249.07582	0.4
255.06516	1.0
257.08081	2.4
259.06030	2.6
261.07608	0.8
273.07599	3.3
277.07196	0.5
291.08618	2.6
295.08197	1.0
301.07034	1.0
309.09668	1.8
319.08154	1.0
332.16183	0.3
337.09152	100.0
338.09586	0.4
342.10446	0.7
354.11746	0.5
355.10217	3.0
360.07675	0.4
372.12805	1.9
430.06558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01866	1.3
57.03424	2.4
61.02908	2.1
69.03423	5.1
70.59921	0.5
70.92419	0.6
70.92754	1.3
73.02879	0.6
81.03401	2.2
83.05002	0.9
85.02902	15.9
87.04417	0.6
93.23123	0.6
95.04907	0.8
97.02885	5.8
99.04427	0.7
103.05418	0.7
104.32490	0.5
109.02875	1.5
115.05444	0.8
125.06019	1.5
127.03888	3.3
127.78046	0.5
131.04916	2.5
136.20781	0.5
137.05948	1.5
138.09065	0.6
139.00172	0.7
143.04883	0.7
143.29544	0.5
145.04961	2.7
145.06433	0.8
147.04428	1.1
147.11751	0.5
149.05960	1.5
151.03932	4.0
153.05450	2.0
155.04932	1.0
157.08559	0.7
159.04457	1.6
159.07895	0.5
161.06010	1.0
163.07538	1.4
165.01816	0.9
166.08597	0.7
169.05125	0.9
169.06485	3.1
171.04396	2.2
172.00983	0.5
175.03867	1.6
175.07384	0.9
176.04646	1.8
177.05467	11.7
177.57152	0.6
185.06129	0.8
187.07562	0.8
189.01842	1.0
189.05492	2.6
190.06128	0.6
191.07025	12.0
195.02884	0.8
195.04524	0.7
195.06499	0.8
197.05988	2.0
197.11783	0.7
199.03882	1.3
200.04692	1.6
201.05547	1.0
201.09233	0.7
203.07062	4.6
205.04956	1.2
207.06551	2.9
210.70781	0.6
211.07516	0.6
213.03795	0.8
213.05576	1.2
214.06250	2.5
215.07062	3.6
216.04185	0.6
217.04977	3.5
217.08540	1.3
218.05605	0.6
219.04379	0.9
219.06508	12.9
221.04437	5.6
227.07071	1.6
229.08565	3.3
231.06685	6.1
233.08095	0.9
242.05672	1.1
243.06535	2.6
245.04453	0.8
245.08090	2.8
255.06540	0.7
257.08032	2.0
259.06131	2.8
261.07510	1.0
273.07614	2.2
277.07098	0.8
291.08594	3.2
295.08310	0.8
301.07135	0.7
309.09717	1.5
319.08032	0.9
322.16675	0.7
337.09161	100.0
338.09393	0.6
355.10397	2.5
448.55441	0.6
564.78741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.42273	0.5
56.55670	0.5
57.03427	1.7
61.02916	1.4
62.60428	0.5
69.03428	4.5
70.74532	1.5
71.04977	0.5
73.02902	0.7
76.20387	0.4
81.03413	2.1
83.01328	0.7
85.02905	16.4
87.04456	0.7
91.03923	0.7
97.02886	3.9
98.16235	0.5
109.02859	1.0
113.02281	0.6
117.07045	0.6
125.05905	0.9
127.03893	2.8
131.04921	2.3
137.02278	0.5
137.05972	1.6
143.04904	0.9
145.02873	0.5
145.04988	2.5
147.04460	0.7
149.05983	1.7
151.03877	3.4
153.05479	2.0
155.05014	0.7
159.04411	0.7
161.05916	1.2
163.07541	1.2
165.01791	0.6
169.05142	0.6
169.06485	2.8
171.04382	1.4
175.03799	1.2
175.07571	1.1
176.04713	1.4
177.05461	10.7
183.04375	0.9
187.03934	0.7
187.06001	1.0
187.07541	0.9
189.05455	2.4
191.07028	12.5
195.02890	0.8
195.06577	0.9
197.05922	2.3
199.03981	0.6
200.04703	1.1
201.05394	1.1
203.07048	3.2
205.05006	1.1
207.06490	3.5
213.05504	1.3
214.06221	2.1
215.07011	3.5
216.04208	0.8
217.04924	3.6
217.08606	0.9
219.06511	12.9
221.04385	4.0
227.07048	1.6
229.08553	4.7
231.06578	6.3
233.07938	0.6
242.05754	1.4
243.06596	3.4
244.07497	0.5
245.04375	0.5
245.08157	1.6
255.06474	1.1
257.08130	2.1
259.06064	2.6
261.07626	0.6
268.79279	0.5
273.07556	2.7
291.08591	2.9
301.07077	0.8
309.09674	1.5
319.08234	0.9
337.09161	100.0
355.10046	3.0
530.18817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.05494	12.6
57.03426	14.8
57.07073	7.5
57.38797	4.2
61.02913	7.4
62.22412	4.6
67.05499	11.9
69.03422	37.5
69.07052	20.9
69.89291	15.7
69.89698	9.4
70.06608	6.1
71.04992	28.0
73.02911	32.3
73.32035	4.5
79.05491	15.2
81.03414	9.4
81.07042	81.5
83.04980	13.4
83.08590	9.4
83.48909	4.0
84.40817	4.7
85.02886	53.0
85.06527	4.5
91.05470	14.9
93.07041	37.7
95.04964	5.2
95.08591	42.6
97.02889	36.3
97.06541	7.6
97.10167	10.6
99.04401	6.7
99.08073	8.2
103.41481	5.4
105.07027	54.7
107.05004	5.3
107.08578	46.7
109.02892	7.9
109.06520	8.9
109.10149	42.3
111.04464	6.6
115.03931	27.0
119.08563	100.0
121.06507	5.5
121.10174	22.5
123.04374	5.2
123.08094	7.0
123.11706	26.8
125.09628	10.0
127.03908	15.6
127.11176	51.8
131.08571	6.9
133.10149	23.7
135.11667	66.4
137.05934	6.8
137.13219	5.8
139.07484	5.5
141.07019	5.7
142.07803	5.1
143.08543	5.7
143.10652	23.4
145.04941	13.0
145.10094	15.3
147.11668	37.2
149.13272	13.1
157.10104	16.2
159.11656	22.0
161.13200	10.9
163.14778	7.0
167.07071	5.2
169.10126	5.2
171.11687	8.4
173.13254	6.0
189.16528	5.2
195.11652	4.5
203.17932	80.7
205.19522	6.2
207.11610	5.5
213.12616	5.9
215.05460	8.3
221.19002	85.6
233.19035	7.3
273.15753	4.6
301.07007	25.9
303.19571	5.7
329.20770	5.3
365.23203	8.7
383.24417	12.6
436.26770	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	533.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.9
57.03430	34.4
57.07073	8.2
61.02906	9.1
66.64983	4.4
67.05496	31.6
69.03432	47.9
69.07066	36.6
70.80955	7.1
70.81305	10.2
71.04987	27.4
72.79807	5.4
73.02911	48.9
79.05486	24.2
81.03403	13.6
81.07061	100.0
81.67448	5.1
83.04980	5.8
83.08600	12.0
84.23106	4.5
85.02904	67.7
85.06579	4.6
91.05466	21.1
93.07044	43.9
95.04977	6.1
95.08599	65.4
97.02888	63.3
97.10166	12.9
99.08096	6.0
105.07014	42.2
107.08590	67.7
109.02871	8.6
109.06502	5.9
109.10152	68.5
111.08024	5.3
111.11752	7.1
115.03958	37.1
119.08572	73.1
121.10133	30.8
123.11720	34.4
125.09641	9.2
127.03918	22.2
127.11192	38.7
131.08531	10.2
133.04987	12.7
133.10135	34.0
135.11668	53.1
137.05922	7.8
137.13272	8.9
143.08577	8.4
143.10701	34.8
145.04973	16.8
145.10112	12.7
147.11668	30.9
149.13255	17.1
157.10153	15.5
159.11679	16.8
161.13272	16.2
163.06018	9.8
167.06903	6.5
171.11662	8.3
175.14893	6.5
177.16525	5.2
187.14793	6.0
190.35968	5.2
196.27698	5.1
203.17949	67.9
205.19604	8.2
221.18947	61.7
223.20273	6.9
233.18942	9.5
278.27585	4.8
279.69400	4.9
287.19662	6.6
329.21271	7.2
365.23431	12.1
383.24323	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	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01864	2.2
55.05502	1.9
57.03433	7.5
57.07063	0.7
61.02926	7.0
67.05503	1.7
69.03425	25.1
69.07063	5.8
70.84092	1.2
70.84452	2.2
71.04988	2.8
73.02911	3.0
79.05492	2.0
81.03416	10.6
81.07043	3.2
83.04942	1.1
83.08605	1.3
83.78872	0.7
85.02900	100.0
87.04469	4.1
91.03938	4.0
91.05489	1.8
93.07043	2.6
95.04961	8.6
95.08614	4.3
97.02887	27.8
97.06528	3.9
99.03948	0.6
99.04470	5.1
103.03938	1.5
105.07007	3.1
107.04929	1.1
107.08595	5.8
109.02875	10.8
109.06519	5.2
109.10138	1.9
115.03944	2.0
119.08603	2.7
121.06501	1.4
121.10143	2.3
122.07280	2.4
123.04449	0.7
123.08067	14.6
123.11710	1.5
124.03987	1.1
127.03913	25.1
131.08600	0.8
133.10104	4.6
135.08054	27.2
135.11679	4.6
137.09637	2.5
139.07581	0.7
145.04951	29.8
147.11678	2.8
148.08925	0.8
149.09651	1.1
149.13264	1.7
150.22591	0.6
163.05998	7.3
163.14862	1.0
165.12747	32.5
171.06548	0.9
173.13245	1.1
175.14827	4.6
176.11995	3.5
189.07544	0.9
191.14296	98.1
192.14615	1.4
193.15868	21.9
207.13759	1.7
209.15355	23.5
294.77762	0.7
309.16953	1.2
353.19748	0.7
371.20706	4.3
503.78226	0.7
505.25906	0.8
533.25922	57.1
534.25824	1.4
547.06732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
60.36125	0.1
66.75571	0.1
69.03410	0.4
69.48949	1.2
73.02915	0.2
75.05599	0.2
78.07047	0.1
81.03430	0.1
85.02888	0.9
85.03970	0.1
93.07030	0.2
95.04932	0.2
97.02874	0.3
98.21436	0.2
107.04919	0.4
109.02866	0.2
123.04407	0.2
127.03945	0.2
131.07130	0.1
133.06477	0.2
134.03629	2.1
137.02330	5.1
141.06984	0.5
145.04964	0.2
147.04399	0.2
149.39101	0.1
157.06473	0.1
167.06944	0.2
169.06483	0.3
180.53065	0.1
181.06479	0.2
183.04388	0.3
186.06731	0.5
192.10246	0.3
197.05971	1.9
201.05518	0.1
213.05421	2.8
214.06252	2.8
225.03220	0.3
225.05463	6.2
229.08638	0.9
242.05751	0.7
253.04956	10.6
257.07980	0.3
269.04382	2.1
270.05225	16.9
271.05612	0.3
285.07568	100.0
286.07922	1.6
354.15277	0.2
368.64713	0.1
533.12616	1.1
533.19183	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88131	1.5
52.16482	1.7
53.03932	3.1
55.01852	1.9
55.05506	11.0
57.03433	23.6
57.07061	2.3
61.02927	7.7
65.03932	1.7
67.05499	25.8
68.11484	1.4
69.03424	24.4
69.07043	7.5
69.33201	4.6
69.33617	12.3
71.01340	3.8
71.08596	1.5
73.02913	52.6
74.02664	1.4
79.05490	22.5
81.03412	3.9
81.07054	68.3
83.01325	1.5
83.04964	1.8
83.08625	2.4
85.02898	42.5
87.04459	2.4
89.06004	3.1
91.05481	20.9
93.06464	2.6
93.07043	42.7
95.04958	6.4
95.08602	66.0
97.02887	41.4
97.10155	2.5
102.64563	1.8
103.03996	1.5
105.07025	100.0
107.07859	3.2
107.08589	59.2
109.02875	5.5
109.06510	2.0
109.10149	49.6
115.03919	32.2
117.06995	2.4
119.08580	53.1
121.10132	24.9
123.11678	14.0
127.03912	17.2
128.85680	1.9
131.08565	3.2
133.04944	8.7
133.10129	29.9
135.11682	14.4
143.08566	1.5
145.04947	15.5
145.10112	3.2
147.11679	65.3
149.13200	2.6
150.07545	7.6
157.10161	2.7
159.11697	4.9
160.26158	1.4
161.13240	18.9
163.06000	6.7
163.14807	1.8
163.27415	1.7
171.11691	2.1
173.13240	2.0
175.14828	7.5
180.08606	2.1
189.16336	3.3
203.17937	46.9
213.16345	2.5
221.18958	3.1
223.06056	4.3
241.07065	6.4
259.08109	5.1
264.84976	1.5
295.10254	2.3
352.27716	1.7
353.27979	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01871	0.5
55.24354	0.4
57.03422	0.8
61.02899	1.1
63.69321	0.4
67.05487	0.7
69.03420	3.4
69.72618	2.6
70.06559	0.7
73.02901	0.8
79.05486	0.5
81.03388	1.9
81.07033	0.5
84.04498	2.4
84.08116	0.4
85.02899	9.3
87.04434	0.4
87.09204	1.8
91.05457	2.1
93.07043	3.6
94.02919	0.8
95.01322	4.2
95.04968	1.1
97.02885	2.3
98.21417	0.6
106.45372	0.4
108.76459	0.5
109.02863	1.1
110.06029	0.8
111.08064	4.3
112.03957	20.8
116.98618	0.5
117.06996	0.7
120.08135	0.8
121.06465	1.4
122.06008	1.8
126.05492	1.2
127.03857	1.4
132.07994	0.5
134.09648	3.1
135.08022	1.6
136.07562	3.6
137.05931	1.3
138.05489	2.0
139.05807	0.8
139.07526	0.7
140.07059	2.7
145.04915	0.7
147.06802	0.6
148.07597	0.6
150.09096	0.5
152.10672	1.4
154.08647	1.7
160.07501	0.7
162.05531	2.5
162.09134	20.3
163.03888	0.5
163.07536	1.5
164.07069	0.9
166.04945	1.9
168.06564	0.7
172.07610	0.7
178.08603	0.9
180.06567	0.5
180.10181	18.5
181.06046	1.5
181.10524	0.6
189.10165	0.6
190.08626	15.4
191.09375	1.4
204.08534	0.9
205.08801	0.6
206.08250	0.6
207.07867	0.5
207.11307	3.3
208.09669	100.0
209.09996	1.1
237.02731	0.5
247.10753	0.9
273.12344	1.7
274.10452	0.9
275.13824	1.7
289.11816	0.7
291.13293	2.7
295.12845	8.4
301.11783	10.5
302.10156	0.7
319.12860	55.5
337.13934	12.2
351.15518	5.2
363.60544	0.5
369.16544	35.2
370.14832	0.8
409.27759	0.5
445.15994	0.5
463.16739	0.8
467.07831	0.5
481.18188	3.2
499.18860	1.6
531.22302	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61965	0.2
55.01878	0.3
57.03445	0.4
61.47311	0.2
67.05507	0.5
69.03433	0.7
69.07066	0.5
71.63235	0.2
71.63614	0.3
73.02914	0.7
77.34942	0.2
81.03426	0.5
81.07042	1.3
85.02904	0.9
85.06577	0.2
91.05477	0.5
93.07063	0.8
95.04955	0.3
95.08595	0.8
97.02902	0.7
99.04479	0.3
105.07037	0.6
107.04960	0.4
107.08591	0.8
109.10193	0.6
119.08574	0.3
121.10200	0.5
125.09597	0.4
127.03915	0.5
133.10114	0.3
134.03682	0.7
145.10126	0.7
146.99782	0.2
149.05966	0.3
151.03876	0.4
175.64349	0.2
183.02797	0.4
185.66891	0.2
197.06010	0.8
201.16483	0.4
214.06104	0.3
219.17535	0.3
241.04968	1.5
242.05684	0.7
269.04541	0.5
270.05246	2.2
285.07556	0.3
297.03815	0.3
298.04703	31.0
313.07028	100.0
314.07507	0.7
344.26251	0.2
369.13300	30.4
370.13550	0.3
397.01352	0.2
513.27350	0.3
530.33374	0.7
531.18835	0.4
531.27917	0.5
531.34644	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1862
Annotation	Icariside I
Peak:m/z	Relative Intensity
54.26894	0.2
55.01841	0.4
55.05460	0.8
57.03391	0.7
60.17152	0.3
66.76160	0.3
67.05485	0.4
68.99757	0.4
69.03394	0.7
69.07019	0.8
69.89939	0.8
69.90367	1.0
73.02863	1.0
75.50579	0.2
78.37880	0.2
78.92253	0.2
79.05459	0.4
81.03402	0.6
81.07049	1.5
83.04919	0.3
83.08572	0.5
85.02886	1.3
88.31659	0.3
91.05418	0.8
91.27978	0.3
93.07000	0.9
95.04942	0.4
95.08619	0.5
97.02834	1.0
97.06487	0.3
100.11200	0.3
105.06990	0.6
107.08549	0.9
109.02813	0.4
109.10103	0.6
111.04405	0.4
111.07961	0.3
115.03886	0.3
119.08497	1.2
121.06478	1.6
121.10078	0.8
123.04355	0.4
123.11647	0.4
127.03894	0.6
127.11125	0.6
129.07007	0.4
131.08517	0.4
133.10071	0.7
134.03619	2.1
135.11644	0.5
137.05968	1.5
139.03848	1.0
141.01762	0.7
145.04953	0.3
145.10045	1.2
147.11659	0.4
151.03835	0.9
159.11661	0.4
161.05928	0.3
161.09560	0.5
163.11172	0.4
165.01848	1.7
167.06978	0.5
175.03734	0.3
177.05334	0.3
183.02879	1.6
191.03339	0.3
201.05363	0.4
201.16394	0.4
219.17404	1.1
242.05634	0.7
253.04675	0.4
265.21713	0.3
269.04355	3.5
270.05203	2.8
277.17981	0.3
281.04312	0.7
285.03973	0.7
285.07300	0.4
297.03888	5.0
298.04691	7.2
313.07019	100.0
314.07373	1.0
327.12369	0.6
351.12335	0.8
351.28860	0.3
369.13306	25.9
370.13754	0.5
396.14944	0.4
432.10696	0.4
455.67297	0.3
465.16678	0.9
491.10748	0.4
530.33722	3.3
531.19073	1.7
531.34894	46.0
531.69214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05264	1.4
55.05509	14.3
57.03431	0.8
57.07076	5.7
61.02921	1.0
67.05489	1.6
67.26712	0.6
69.03403	2.8
69.07061	9.8
71.08615	1.4
71.63425	1.0
72.42542	0.6
73.02882	1.1
79.05473	1.5
81.03413	1.4
81.07050	4.1
83.04955	0.6
83.08614	32.6
85.02900	6.5
85.06522	0.8
86.82518	0.6
87.04460	2.0
89.06027	52.9
91.05458	0.9
93.07045	1.1
95.04974	1.0
95.08585	2.0
97.02880	2.8
97.10171	12.4
98.43485	0.9
99.04447	0.9
102.33692	0.6
105.07031	1.5
107.07076	6.6
107.08605	1.0
109.02879	0.9
109.10159	0.9
119.08524	0.7
120.20971	0.7
121.06458	0.8
121.10176	1.6
127.03923	1.6
130.08678	1.3
133.08595	17.4
133.10121	1.4
137.05978	2.1
145.04987	0.9
145.06497	0.6
151.09642	3.5
154.16913	0.6
157.15916	1.5
159.11740	1.2
161.05927	0.6
167.06934	0.9
177.05475	0.8
177.11201	5.2
187.14861	0.9
195.12283	20.6
203.07153	0.6
207.06561	0.8
245.21132	3.5
297.03864	1.1
307.24789	1.4
327.12106	0.8
333.26328	3.9
336.95523	0.8
351.08594	7.6
351.27383	100.0
352.27631	1.7
367.12094	0.7
369.13715	0.7
511.36908	0.8
530.26282	1.9
530.33325	0.9
531.18359	1.0
531.26367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44208	7.3
55.01860	10.2
55.05511	40.0
57.03431	10.3
65.03918	10.1
67.05501	89.8
67.50088	7.6
69.03419	54.9
69.07059	28.3
70.25802	14.0
70.26215	23.7
71.04996	9.9
73.06554	7.0
79.05485	75.6
79.62741	6.3
81.03409	64.7
81.07059	100.0
83.04945	15.5
83.08601	27.2
85.02896	42.8
91.05472	72.0
93.07034	95.5
95.04968	20.4
95.08589	84.7
97.02869	27.6
97.06493	12.0
97.10139	13.6
105.07030	60.6
107.08589	53.4
109.02847	13.8
109.10151	43.9
111.04400	14.8
117.06998	24.2
119.08583	57.1
121.10133	40.0
123.11702	11.3
127.03889	22.4
129.06937	16.8
131.08591	38.3
133.06462	9.0
133.10095	28.9
135.11702	30.9
141.07103	12.6
142.07738	8.5
143.08539	16.4
145.10126	40.9
147.11685	26.5
149.13217	13.0
151.40578	8.2
155.08572	9.4
157.10139	19.1
159.11684	24.4
161.09543	9.5
161.13290	15.0
171.08098	8.3
171.11661	17.5
173.13248	23.2
173.77345	9.0
175.14833	9.4
183.11664	10.9
185.13239	11.0
261.22128	12.7
289.21573	10.3
291.23166	10.3
301.21481	11.1
303.23087	22.3
315.23074	11.4
341.24634	14.3
351.23175	12.9
369.24094	45.7
387.25433	43.8
405.26395	43.2
423.27618	9.1
470.13242	7.8
471.18066	12.9
530.38971	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.2
59.47992	6.4
61.02912	6.3
67.05173	7.5
67.05503	100.0
69.07057	7.5
69.57656	27.9
69.58083	26.7
79.05476	42.7
81.07052	62.0
82.75167	6.8
83.08646	7.9
85.02903	14.3
85.06507	7.8
91.05469	65.2
93.07043	65.6
95.04977	8.7
95.08595	41.1
97.06508	12.9
97.36520	6.8
105.07032	36.5
107.08569	26.2
109.10159	55.5
117.07017	19.6
119.08584	39.8
121.10162	38.1
129.06995	11.5
131.08560	49.5
133.10129	41.0
135.08035	18.4
135.11646	19.1
137.09624	10.5
143.08511	8.2
145.10106	26.8
147.11644	33.2
149.09625	35.4
149.13184	11.2
151.11165	15.2
157.10022	12.5
159.11687	26.0
161.13254	21.2
163.11221	10.3
171.11662	24.7
173.13292	12.1
175.14832	32.0
185.13255	14.7
189.12862	8.3
199.14879	8.5
217.19507	15.1
223.13336	8.4
231.21127	10.3
241.19545	63.4
259.20587	48.0
277.21793	8.7
281.95251	7.1
333.24268	12.1
351.25177	17.1
408.47141	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01870	3.0
55.05504	15.7
57.03433	14.9
57.14915	1.3
67.05500	30.6
69.03427	5.2
69.07066	8.3
69.52155	2.6
69.52566	11.0
71.04990	6.1
72.77867	1.2
79.05487	29.5
81.03414	75.2
81.07053	34.8
83.04973	18.5
83.08620	25.8
85.02895	27.8
85.06550	1.9
91.05478	36.5
93.07031	18.8
95.04965	31.6
95.08613	12.1
97.02874	3.8
97.06523	6.9
97.10183	4.2
102.49052	1.4
105.07022	25.3
105.07668	1.9
107.04971	8.4
107.08603	7.8
109.06518	6.0
109.10140	3.1
111.04464	2.4
111.08054	10.8
113.05991	3.9
115.05466	2.1
117.06985	3.3
119.08578	24.4
121.06461	2.0
121.10139	10.9
123.08058	4.3
123.11681	2.3
129.06981	14.8
131.08549	15.6
133.06490	4.5
133.10104	14.9
137.09604	2.7
142.07762	2.7
145.10127	3.5
147.08022	4.6
147.11699	14.9
149.09621	8.4
157.10132	15.0
165.12782	2.7
175.11188	17.2
193.12227	61.2
201.16379	2.7
211.13275	99.7
219.17505	1.5
249.14915	2.0
267.15924	29.8
285.16943	100.0
385.23630	2.0
459.27478	9.5
477.28482	14.3
495.29547	39.1
530.34497	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51852	0.7
55.01870	0.9
67.05496	1.8
69.03429	1.1
70.06593	1.2
71.59191	1.0
71.59573	0.9
83.04948	0.7
85.02898	3.2
86.09687	2.2
91.05467	1.9
94.06548	1.4
95.04903	0.9
95.08620	0.9
97.02903	0.7
98.97540	0.7
105.07043	1.1
107.08544	0.8
108.04496	1.5
109.02861	0.8
109.10108	1.0
110.06049	0.8
121.02848	2.8
121.06467	0.8
122.06030	1.9
129.10190	0.8
136.07562	1.4
137.05968	1.8
138.05466	5.5
140.07034	1.4
142.08635	1.5
146.05997	10.7
148.07565	0.9
149.06015	1.2
150.05440	1.0
162.05511	0.9
162.09126	2.8
163.07544	0.9
164.03391	0.9
166.04996	5.0
168.06561	1.3
174.05449	3.3
177.00702	0.9
180.10168	3.1
191.44267	0.8
192.06538	1.5
193.17239	0.8
201.71225	0.8
203.03447	1.0
204.03641	1.2
206.08116	3.9
208.09677	7.8
209.10782	1.4
210.09248	0.9
211.08673	1.3
219.09206	1.5
222.07634	1.4
222.09473	1.2
222.68657	0.9
223.08696	2.0
224.09224	1.2
225.10155	1.1
235.08655	1.4
236.09285	1.4
237.10185	29.0
238.08725	1.6
238.10870	1.5
239.08162	3.8
239.11790	2.5
247.08789	1.3
249.10155	1.6
250.08725	4.0
251.08199	6.4
252.08974	2.2
253.09740	2.9
254.08003	0.9
254.10571	1.0
255.11302	2.1
256.03534	0.9
264.08856	1.3
265.09708	39.7
266.07980	1.9
266.10486	3.0
267.07718	3.1
267.11276	10.4
269.09268	1.4
271.11020	1.0
274.99854	0.8
279.07626	1.7
281.09113	5.4
283.10672	2.2
291.09607	1.0
293.09174	28.3
294.09979	2.5
295.05841	2.9
295.10788	11.6
296.06271	4.0
299.10117	2.5
307.06198	0.9
308.06351	2.1
309.07462	1.3
311.10217	38.9
312.11310	3.9
313.11734	6.9
315.09787	1.0
321.08652	13.6
322.07782	2.6
323.08661	1.1
323.12369	2.0
325.07123	0.8
325.11755	0.9
326.07324	1.8
331.12878	1.2
334.07968	1.2
336.09470	0.9
338.07532	1.3
339.09714	63.1
340.10318	2.1
348.09387	1.5
350.07303	4.8
353.11319	10.1
357.10715	2.6
361.06717	0.9
362.07410	2.4
368.08420	0.9
371.12354	100.0
372.11050	2.7
376.08774	0.9
379.08032	0.8
380.08475	2.8
389.13690	1.0
392.08499	2.8
398.09412	2.4
404.08572	1.3
410.09494	2.0
422.09961	1.3
428.10110	1.1
434.09589	0.7
434.16873	1.6
440.10550	1.0
446.09692	1.5
452.11176	0.9
452.17737	3.7
462.16565	1.2
467.39938	0.8
476.10489	1.4
480.17627	57.6
482.11658	2.1
494.11472	3.3
494.19254	2.0
498.18585	10.7
500.47342	0.8
512.12494	6.7
512.20233	6.5
530.13556	6.9
530.21069	4.9
550.98737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	25.2
57.03415	13.0
57.07074	24.6
57.53489	3.4
66.93311	3.5
67.05495	52.1
69.06769	3.5
69.07061	35.8
69.54713	31.6
71.04958	4.5
71.08616	16.4
72.03338	3.7
75.04471	4.9
79.05473	29.3
80.70288	3.3
81.03369	4.0
81.07052	69.9
83.08607	24.0
83.65060	3.4
85.10172	10.0
91.05457	14.1
93.07042	37.0
95.04944	7.3
95.08599	47.3
97.06493	9.5
97.10159	24.5
105.07011	15.7
107.08575	22.3
109.06513	4.9
109.10148	26.0
111.11691	7.9
117.06970	5.6
119.08574	8.8
121.10101	23.3
123.11696	7.2
131.07021	5.5
131.08517	6.7
133.10115	7.1
135.11647	17.1
139.11188	6.5
145.10089	7.8
147.11668	4.5
149.13217	16.6
151.55482	3.9
157.10103	4.6
159.11707	7.0
161.13293	5.0
163.14772	3.7
185.13211	3.4
195.13699	3.6
270.86063	3.6
315.96527	3.8
345.31528	4.9
363.32523	21.0
368.82675	4.0
384.40918	4.4
399.34570	42.2
416.64624	3.6
437.36288	24.7
455.37317	38.7
511.39917	22.3
529.39246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55949	1.7
53.03946	2.8
55.05510	44.3
57.03434	19.1
57.07078	39.6
66.80221	1.8
67.05504	49.8
69.03419	2.5
69.07068	66.3
70.10633	1.7
71.04974	3.2
71.08630	25.4
73.06541	3.3
73.15230	1.9
75.04482	4.1
78.86472	1.6
79.05491	26.1
81.03420	4.0
81.06577	4.1
81.07054	73.3
83.04988	2.4
83.08615	47.1
85.06527	3.4
85.10177	15.1
88.90416	1.7
91.05475	11.9
93.07043	36.3
95.04965	4.4
95.08607	71.5
97.06510	10.2
97.10163	30.9
101.06039	2.6
105.07049	6.9
107.08581	22.2
109.10154	30.7
109.10834	3.2
111.08089	9.5
111.11732	10.5
115.07535	2.2
116.63081	1.7
117.07008	2.1
119.08594	5.3
121.10145	29.5
123.11718	11.2
125.09666	6.7
125.13193	2.3
129.06953	2.2
131.07079	3.1
131.08601	5.6
133.10129	3.8
135.11694	20.7
137.13280	4.3
139.11229	5.2
143.08517	2.3
145.10150	4.6
147.11725	2.4
149.13234	12.3
152.98738	1.8
153.12715	3.0
157.10150	3.4
159.11736	3.6
161.13293	2.2
163.14862	7.2
167.14395	3.5
171.11771	2.7
173.13261	2.6
177.16415	2.5
181.15871	2.7
185.13326	2.6
189.16312	2.3
191.17863	2.1
193.12317	2.1
195.13678	1.8
195.17531	1.9
276.69318	1.8
306.44489	1.8
317.32281	4.4
335.32843	9.6
345.31525	10.2
363.32535	28.6
399.34616	63.6
437.36295	47.6
455.37381	60.6
511.40070	17.8
529.40594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01870	3.4
55.05256	2.9
55.05511	51.6
55.17210	1.6
55.49797	1.6
57.03437	20.6
57.07077	40.5
65.03954	2.4
66.31306	1.6
67.05501	59.7
69.07068	63.7
69.59329	13.6
71.04982	3.7
71.08628	29.8
74.77839	1.5
75.04470	7.3
79.05486	26.7
81.03422	2.8
81.07056	77.6
83.04982	4.4
83.08617	45.6
85.06548	4.2
85.10174	13.0
87.08138	1.6
91.05464	11.9
93.07040	33.4
95.04947	4.0
95.08604	70.9
97.06528	13.3
97.10168	34.1
99.08109	3.0
105.07043	6.4
107.08589	28.9
109.10151	31.6
111.08097	5.3
111.11707	8.8
115.07624	2.5
117.06985	2.1
119.08598	6.0
121.10146	30.3
121.13342	1.5
123.11707	14.2
125.09647	6.9
125.13219	2.0
129.09146	2.4
131.07085	4.6
131.08598	5.2
133.10144	4.6
135.11693	24.9
137.13232	5.5
139.11223	5.4
145.10187	3.3
147.11700	3.2
149.13251	14.6
151.14902	2.4
153.12715	4.1
155.08597	2.2
157.12268	2.1
159.11678	3.0
163.14867	6.4
173.13277	1.9
177.16431	2.9
181.15863	2.6
191.17966	2.8
210.68259	1.5
249.22340	1.8
265.25323	1.9
277.19641	1.5
327.30353	2.9
335.33096	11.1
345.31540	11.3
363.32538	31.1
363.36707	2.2
381.34085	3.9
399.34683	67.6
437.36264	44.2
455.37320	64.3
461.37109	1.6
511.39984	18.9
529.40729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01854	1.2
55.05507	13.9
57.03427	3.6
57.07068	3.7
65.03922	2.7
67.05499	48.9
69.07059	13.8
69.98018	4.7
70.06583	1.1
70.53687	0.7
71.04980	2.8
79.05485	35.4
81.03419	1.7
81.07053	54.1
83.04967	3.5
83.08611	8.7
85.06538	1.8
87.04449	1.2
91.05476	21.2
93.07037	47.4
95.04947	8.0
95.08596	24.7
97.06506	5.9
98.20813	1.1
99.08057	1.5
105.07018	13.7
107.08589	22.5
107.09296	1.8
109.06528	2.4
109.10153	7.8
111.08080	4.3
115.05446	1.3
117.07016	7.5
119.08567	9.3
121.06500	0.9
121.10136	22.2
123.08092	0.9
123.11720	2.8
125.09612	1.8
129.06966	2.0
131.08566	12.9
133.10100	8.8
135.08037	1.0
135.11690	10.2
139.11203	1.4
143.08559	2.2
145.10100	7.0
147.11665	5.1
149.13248	21.0
155.08572	1.0
157.10098	3.0
159.11691	11.5
161.13245	3.7
162.67828	0.8
165.12756	0.8
169.10088	1.1
171.11678	2.6
173.13252	3.1
175.14880	2.3
177.12746	3.0
183.11757	1.3
185.13300	1.2
187.14825	1.9
195.13844	5.3
199.57484	0.9
201.16377	1.4
211.14865	1.0
213.16672	0.9
241.73988	1.0
243.21091	0.9
256.26398	10.9
261.22192	3.5
419.33466	1.1
437.34232	2.6
455.35144	2.3
511.37793	1.1
529.38873	100.0
530.39197	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01857	2.0
55.05257	1.4
55.05510	16.5
57.03424	4.9
57.07069	2.3
57.44127	0.8
65.03930	2.9
67.05499	57.0
69.03412	1.0
69.07063	18.9
71.04982	3.7
71.08616	1.1
71.32922	1.9
73.89337	1.0
77.03915	1.0
79.05486	43.1
80.07591	0.9
81.03403	3.0
81.07050	61.8
83.04985	4.6
83.08612	9.4
85.06535	2.7
89.93604	0.9
91.05476	24.6
91.58665	0.8
93.07037	51.4
95.04960	9.6
95.08601	25.6
97.06511	7.5
97.10139	2.5
99.08101	1.1
105.04507	1.6
105.07014	13.0
107.08590	25.9
109.06532	1.8
109.10146	8.2
111.08082	4.9
113.81272	1.0
117.06998	8.7
119.08557	12.5
121.06513	1.3
121.10134	22.9
121.11019	1.2
123.08117	1.1
123.11692	3.1
125.09635	1.1
129.07013	2.3
131.08565	11.8
133.10107	11.7
135.11697	10.0
137.13228	1.0
139.11156	1.1
142.59091	0.9
143.08575	2.5
145.10115	6.4
145.11101	1.0
147.11671	5.1
149.13242	21.9
149.14365	1.6
151.85516	1.0
157.10130	2.4
159.11682	12.0
161.13272	2.3
163.14796	1.4
171.11743	2.3
173.13235	3.2
175.14789	1.2
177.12750	3.5
185.13316	2.1
187.14813	2.4
193.12126	0.9
195.13773	6.5
211.14716	1.1
213.14705	1.3
261.22195	3.9
266.84985	0.9
269.73792	1.0
279.41815	0.9
339.76459	1.0
437.34167	2.6
455.35547	1.7
511.37924	2.1
529.38849	100.0
530.39130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10440	0.2
55.01855	0.3
57.03418	0.2
58.63653	0.2
67.05504	0.7
69.03429	0.7
69.07086	0.6
69.86903	0.3
71.58613	0.3
79.05473	0.6
81.03408	0.6
81.07053	1.1
83.04932	0.3
83.08588	0.3
85.02899	0.8
91.05477	0.3
93.07055	0.6
95.05018	0.3
95.08605	0.6
97.02909	0.6
98.39838	0.2
105.07017	0.5
107.04986	0.3
107.08576	0.6
109.02831	0.3
109.10127	0.5
119.04906	0.3
119.08588	0.5
123.04391	0.5
124.66496	0.2
125.06036	0.3
127.03917	0.5
131.08525	0.3
133.10129	0.3
137.05994	0.4
145.10027	0.2
147.11652	0.4
157.10089	0.3
161.09656	0.3
167.07008	0.3
169.10165	0.3
175.14857	0.3
180.32442	0.3
197.35052	0.2
331.24963	0.3
529.33441	100.0
530.33820	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.5
55.05508	15.1
57.03429	10.4
57.07060	3.9
59.04987	2.6
60.24945	3.0
65.03918	5.1
67.05504	98.6
69.03447	2.8
69.07063	19.5
70.13292	13.4
71.04974	2.5
73.02911	8.5
79.05053	3.9
79.05486	45.9
81.07055	100.0
83.08594	12.3
85.02901	15.5
91.05482	24.9
93.07044	61.3
94.56622	2.8
95.01305	10.2
95.01881	2.5
95.04932	4.3
95.08605	77.5
97.02857	3.2
97.10155	5.0
99.08118	2.8
103.03888	2.8
105.07059	21.3
105.07631	4.2
107.08595	36.8
109.06480	4.3
109.10145	49.2
113.02330	3.4
117.06999	11.7
119.08595	22.1
121.10153	31.5
123.11708	24.2
131.03395	4.9
131.08577	26.7
133.10123	21.8
133.17381	2.9
135.11678	32.9
137.09645	3.2
137.13223	9.3
141.01796	13.8
145.10100	18.1
147.11678	12.7
149.13248	20.4
159.11691	17.3
161.13290	8.2
163.11237	3.0
163.14856	13.0
173.13248	12.6
174.98438	3.6
175.14804	3.1
177.16374	7.9
187.14734	7.8
195.00310	22.6
201.16252	4.0
201.95448	3.4
213.00089	4.2
221.69429	3.2
233.22473	3.6
243.21075	26.0
261.22141	95.6
263.23599	3.4
279.23215	7.7
285.22055	3.4
307.22873	2.8
335.25742	27.9
353.26865	94.7
354.27185	3.5
377.26938	3.8
383.22281	3.4
431.27713	4.4
475.26691	2.9
493.27765	4.5
511.28802	3.3
529.25165	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	529.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.71775	0.5
55.01862	0.7
57.03445	3.4
58.39531	0.5
61.02922	3.8
68.05015	0.5
69.03075	1.1
69.03423	16.7
70.06578	0.7
71.01346	0.7
71.04978	3.1
71.60720	1.4
73.02905	3.3
79.88938	0.5
81.03411	4.7
81.07041	0.6
85.02422	1.0
85.02905	16.9
85.82257	0.7
87.04482	2.9
95.08643	0.6
97.02880	6.4
99.04437	3.3
101.02344	0.9
105.06994	0.6
107.04910	0.6
107.81643	0.5
109.02860	2.5
115.03960	0.8
116.04865	0.6
117.05487	0.8
118.06498	0.7
121.10174	0.8
127.03904	3.7
136.07516	0.9
140.07042	0.8
145.04955	1.3
145.07590	3.9
146.08405	0.9
147.09167	15.1
159.09163	6.6
160.09956	1.6
164.28725	0.5
175.08635	1.2
185.10751	2.8
187.08643	0.9
187.12363	0.8
189.10213	0.9
191.08147	81.8
199.08615	0.8
199.12367	1.1
213.10207	1.4
215.11801	1.3
216.07684	11.4
225.10030	0.9
229.13295	0.6
236.42892	0.7
241.09750	0.6
249.11121	1.0
259.10727	0.8
263.13861	9.0
271.10895	1.1
289.11816	6.6
307.12869	70.1
308.13498	0.7
312.65604	0.6
320.07306	0.7
335.09476	1.8
350.13443	78.2
428.46591	0.6
469.18509	1.0
481.11356	1.0
512.18756	100.0
513.19226	1.1
529.26227	90.9
530.26215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05503	0.8
56.96558	17.3
56.96839	1.0
57.03434	3.2
61.02933	2.3
69.03425	6.0
69.87059	2.4
71.04980	1.7
71.95262	0.8
73.02913	4.2
81.03393	1.5
83.04975	1.0
84.08122	0.7
84.96033	3.3
85.02898	11.0
86.03207	0.6
86.06052	0.7
86.09705	0.5
87.04446	1.5
91.03934	0.9
97.02885	6.3
98.06051	0.6
98.97578	37.9
99.04438	1.0
100.99125	2.1
101.05988	1.1
102.97054	0.7
109.02872	1.6
110.97552	3.1
112.99123	29.6
113.02393	1.0
113.03444	0.5
115.00599	0.5
115.03974	0.6
116.07058	1.4
116.98614	30.3
119.00189	4.6
119.01904	1.3
121.01658	0.6
124.99131	0.6
127.03928	2.8
128.04268	0.4
128.98601	8.2
131.00165	80.0
133.00620	0.4
133.01683	1.0
133.03439	1.7
134.03586	0.6
134.99651	14.8
135.03169	1.0
137.01208	1.7
140.00180	0.9
143.00139	3.6
143.01874	0.6
144.98091	0.6
145.01711	3.2
145.03413	0.5
145.04951	2.2
146.99657	9.8
149.01213	86.0
151.01599	0.5
152.98578	1.7
153.00664	1.3
153.04295	0.5
154.01759	2.7
157.01692	1.2
157.03487	0.7
158.08015	0.6
158.99648	12.2
159.05017	0.6
161.01219	8.4
161.02612	0.8
161.04742	0.9
162.99133	1.9
163.02750	6.8
165.00702	2.2
167.02277	12.6
169.04489	1.1
170.99619	4.9
171.04977	1.0
172.02777	2.9
173.01213	49.3
175.02757	6.5
177.00711	19.7
177.04158	0.6
177.05643	1.3
178.04916	4.0
178.55119	1.0
179.02312	2.8
181.03789	1.1
182.99617	0.5
184.04904	1.2
185.01097	0.9
186.99168	0.6
187.02713	2.7
187.04329	0.5
189.00700	4.9
189.04361	0.5
189.06108	0.7
189.55786	0.5
190.03912	0.5
191.02263	72.9
192.02695	0.6
193.03844	13.8
193.05409	1.2
195.01768	2.2
197.01248	0.8
197.06783	0.8
199.02715	1.4
199.04436	0.6
200.02257	0.9
201.00626	3.9
201.06236	0.6
203.02238	3.2
203.07611	0.5
205.03850	4.9
206.02718	0.6
207.01802	1.4
209.01181	1.6
209.03340	4.4
211.02859	0.9
211.04871	14.4
214.03891	5.1
215.02254	1.3
216.05402	0.5
217.03763	1.5
219.01755	25.8
219.07124	2.0
221.03281	1.0
221.05025	1.2
221.07060	1.7
223.04922	1.5
227.02287	2.0
228.05499	0.6
229.05920	0.8
231.07204	1.6
233.03307	14.8
233.07024	1.4
234.06599	0.5
235.04839	4.0
237.02805	69.1
238.03171	1.1
241.05817	0.5
242.03369	1.2
245.05025	1.4
247.04665	3.0
251.04404	1.7
253.05954	0.6
255.03854	7.4
257.03339	0.8
260.04498	2.8
261.02777	0.5
263.04321	8.3
265.05817	0.6
269.05399	0.6
273.08273	0.7
275.04315	9.4
275.07187	0.8
277.05862	2.0
279.03860	2.0
279.07327	0.5
281.05432	25.0
291.09259	0.6
293.05423	9.8
304.07123	1.5
307.06879	1.0
316.07153	0.6
318.10806	0.7
319.06802	2.2
321.10327	6.5
322.10425	2.8
323.06375	0.4
323.10159	10.3
325.62289	1.3
333.11115	0.6
337.08023	64.1
338.08240	0.9
339.11588	0.5
341.10941	1.6
348.11911	0.6
351.11462	1.0
351.60870	0.5
353.07294	0.5
355.09097	56.6
356.09503	0.8
366.61646	0.6
367.08878	0.8
378.10757	3.9
379.10748	0.5
379.61212	0.8
380.12317	1.1
380.61304	1.9
391.14801	0.6
397.10226	1.5
425.09647	11.1
433.09888	0.8
439.11368	0.9
445.28244	0.4
449.09653	2.1
467.10574	2.4
469.12674	3.0
493.08649	8.7
511.09628	44.9
529.10699	100.0
530.10754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.5
55.05490	2.7
56.96557	35.5
57.03441	9.6
60.45480	1.1
61.02922	7.5
69.03076	1.7
69.03421	21.1
70.98100	1.3
71.01346	1.0
71.04970	3.3
73.02559	1.3
73.02911	18.1
74.03230	1.3
74.97572	1.5
77.00914	1.2
79.05450	2.0
81.03407	7.5
81.07059	5.6
81.94862	1.0
84.96036	7.2
85.02901	35.3
86.03207	2.2
87.04440	4.0
91.03930	3.0
91.05444	1.6
92.98593	1.1
95.04927	1.3
97.02890	20.7
98.97571	54.0
99.04430	4.1
100.99136	6.8
101.00876	1.3
101.02348	1.2
101.05990	1.3
102.97018	1.5
105.07041	1.4
107.04844	1.2
107.06091	1.2
107.08539	1.4
109.02888	6.2
110.01289	1.5
110.97530	9.4
112.98396	1.2
112.99120	15.4
115.03907	2.2
116.98606	51.8
117.03348	2.5
119.00178	10.2
119.00911	1.5
119.01060	1.2
119.01905	13.6
119.04943	2.0
120.01931	1.4
121.01632	3.3
121.06390	1.1
127.03911	16.5
128.04231	1.1
128.07022	1.3
128.98599	19.8
131.00160	45.8
131.01730	5.7
133.01631	3.9
133.03424	2.5
134.99649	28.8
135.04340	1.7
137.01128	2.4
137.02930	2.7
137.05963	5.0
139.00726	2.4
139.02547	1.3
140.00133	1.8
140.02309	1.2
140.07019	4.3
140.98569	2.7
143.00162	5.7
143.01860	2.2
144.98065	6.3
145.00760	5.3
145.01668	4.4
145.02678	3.4
145.03453	6.8
145.04900	10.3
146.99640	26.6
147.03191	2.4
147.04356	7.5
148.01323	1.6
149.01210	52.4
149.02945	2.8
152.98486	1.8
152.99586	1.4
153.00633	2.9
154.01350	3.7
155.01842	5.9
155.02922	1.7
157.01651	4.6
157.03523	6.7
158.01221	2.8
158.99637	22.4
159.03217	1.2
159.04994	1.6
160.01265	3.0
161.01224	17.2
161.02934	8.6
161.04692	1.8
161.13173	1.2
162.00230	1.4
162.03105	1.1
162.99144	13.6
163.02696	8.2
163.03920	1.9
165.00732	6.4
165.02042	1.4
166.01262	3.7
167.02286	9.0
167.07036	2.6
168.00143	1.0
169.02016	1.5
169.03220	1.6
169.04453	1.5
170.03329	1.6
170.99643	12.9
171.04977	2.4
171.52020	1.1
172.01381	1.6
172.02710	2.2
173.01167	31.9
173.02895	10.6
173.09225	1.9
174.03049	3.1
174.99046	1.4
175.02698	13.8
175.04459	6.8
177.00706	35.8
177.02267	1.3
177.04063	2.7
177.05467	11.2
178.04842	9.7
178.55008	1.8
179.02315	6.2
180.04759	1.2
181.00113	4.9
181.01701	2.2
181.03709	2.1
182.03262	1.2
182.99626	4.3
183.01434	1.1
184.04829	1.6
185.01247	1.9
185.02911	4.3
186.04573	2.3
186.99120	4.1
187.02692	3.5
187.04500	3.7
188.98999	1.3
189.00708	26.7
189.04308	5.5
190.02306	1.8
191.02269	42.9
191.03862	4.1
192.04427	1.1
193.00134	1.1
193.03769	12.0
193.05537	2.6
195.01775	4.9
196.02309	3.1
196.04573	1.1
196.54634	1.0
197.02925	3.8
198.04442	1.8
199.02768	1.7
199.04471	2.2
200.02263	2.7
200.04266	2.0
201.00690	28.1
201.05956	2.2
202.02336	2.1
202.06694	1.6
203.02263	2.9
203.03995	2.3
203.05774	1.8
205.00180	17.1
205.03726	4.5
205.05476	1.7
206.02771	1.4
207.01834	5.0
207.06653	1.2
209.03268	3.6
209.15408	1.6
210.03929	1.6
211.02824	3.1
211.04781	8.7
211.06645	1.6
212.02190	1.1
213.00578	2.0
213.05678	1.2
214.03838	4.7
215.02200	2.7
215.04022	2.4
216.05658	1.5
217.03687	3.7
217.05615	3.0
217.52911	1.4
219.01756	48.4
219.04938	2.1
219.06987	1.3
221.03152	1.8
221.04982	6.8
221.06860	2.0
223.01228	36.2
223.04724	4.1
225.04553	1.4
226.03363	3.5
227.02261	1.7
227.04199	1.8
228.01726	1.7
229.00171	1.7
229.03581	1.4
229.05763	1.1
231.01675	3.8
231.07149	1.6
232.03333	3.9
233.03238	11.4
235.04753	4.6
235.06836	8.3
237.02806	69.5
238.03229	2.5
240.02242	1.6
241.02081	5.0
241.05846	1.3
242.03268	4.0
242.05838	1.0
243.01666	7.5
245.05115	10.1
246.05217	2.1
247.01178	17.7
247.04407	6.5
247.06601	4.5
249.02792	3.4
249.08064	3.2
250.57307	1.5
251.04337	4.6
253.05684	2.2
253.07950	1.6
255.03960	6.2
258.06400	1.1
259.07166	4.0
259.57834	1.1
260.04294	3.5
260.07053	1.1
261.00183	1.7
261.02808	30.0
261.08307	1.6
262.04370	1.9
263.04169	6.9
265.02280	18.3
265.05502	1.5
266.06458	2.8
267.07330	2.9
267.57690	1.3
268.04480	2.3
269.05359	7.1
269.57520	1.6
270.06946	1.5
271.06552	4.3
273.02673	2.5
273.07742	1.3
275.04150	3.1
277.02142	8.0
277.05548	7.1
277.08142	2.0
277.59387	1.6
279.03870	22.2
279.06970	1.6
281.05014	11.8
281.57184	2.3
282.06921	2.3
282.62125	2.4
287.06525	1.3
288.03928	2.7
288.07550	2.2
289.02203	2.1
289.07669	3.0
291.03949	7.0
291.58566	2.3
292.05197	2.1
293.05225	7.1
295.03394	2.1
295.06335	1.5
298.05377	3.4
302.05222	2.5
306.04202	2.0
307.03519	8.0
307.06808	1.2
307.08466	3.8
309.04947	2.1
319.03308	2.1
319.06815	1.9
321.04880	11.1
321.10196	4.1
322.10431	1.2
323.06451	2.6
323.10080	4.5
325.59714	2.1
331.03192	1.9
331.08905	1.4
333.04791	2.2
335.02704	4.2
335.08096	2.0
337.07730	49.9
341.11044	1.7
347.09204	1.5
348.60403	3.6
349.04367	12.9
349.08527	1.6
350.60837	1.8
351.05612	2.7
351.10913	1.4
353.08649	4.4
355.09070	41.1
355.60577	1.7
357.09326	1.2
357.60855	3.7
358.09668	3.3
358.61188	2.0
363.09503	1.3
363.61325	2.2
367.05273	7.2
367.09320	4.4
372.15735	1.6
372.61420	2.8
372.65460	3.9
373.11517	4.4
378.10608	5.1
379.10864	7.5
380.11096	1.1
381.06863	4.0
391.10428	2.0
395.08643	3.6
397.12012	7.9
399.07916	5.8
409.06116	5.8
413.09656	11.2
425.09515	5.6
441.08685	3.4
449.09399	2.2
467.10687	3.1
469.12219	3.6
485.11896	2.2
493.08694	5.8
511.09174	33.9
520.90399	1.0
529.10638	100.0
530.11145	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19215	0.8
55.05506	4.1
55.37578	0.8
57.07074	26.5
58.89397	0.7
67.05499	5.1
68.05832	1.0
69.07060	3.2
70.06522	4.6
71.08631	29.0
73.06556	6.7
79.05489	3.4
79.64625	0.6
81.03421	3.0
81.07081	4.1
83.08614	3.6
85.10177	26.1
87.04462	5.1
88.08238	0.7
89.06027	100.0
91.05474	2.8
93.07035	3.5
95.04980	2.0
95.08605	3.2
97.10170	1.8
98.20821	1.0
99.11724	2.5
105.07001	2.9
107.07026	5.1
107.08592	2.0
109.10162	3.1
117.09107	6.6
119.08596	2.1
121.10136	0.9
130.08635	3.1
131.07066	1.0
131.08551	2.6
133.08598	51.1
134.29884	0.9
135.10185	0.8
141.16368	5.0
143.08562	1.1
145.10118	1.7
159.11664	1.2
161.11761	1.3
169.10176	0.9
177.11201	23.1
177.12639	1.5
185.18991	6.5
187.27121	0.9
193.12172	1.6
221.13773	3.8
226.21579	2.3
229.21625	13.9
239.14925	2.3
265.16342	1.0
268.19644	0.8
273.24277	7.4
283.17496	3.5
287.23087	0.9
327.20087	2.7
343.81381	0.8
371.22733	8.2
423.32996	2.0
436.32794	2.2
438.18936	0.8
454.34113	1.3
467.36029	1.4
472.35141	1.7
511.31161	1.3
511.38431	20.1
528.37500	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
57.07077	0.4
63.19434	0.4
64.45097	0.3
67.05479	0.9
68.66925	0.3
69.03416	1.0
69.07065	0.5
70.77124	1.1
74.56189	0.3
79.05475	0.7
79.34318	0.3
81.03415	0.7
81.07042	1.4
83.08604	0.6
85.02883	1.3
85.06518	0.3
91.05486	0.8
93.07027	1.0
95.04990	0.4
95.08585	1.2
97.02899	1.0
105.01874	0.3
105.07005	1.1
107.04965	0.6
107.08591	1.1
109.06524	0.7
109.10149	0.9
113.05947	0.4
116.98630	0.9
119.08582	1.0
123.04437	0.5
123.11655	0.5
125.09686	0.3
127.03903	0.8
131.04932	0.4
133.10127	0.5
137.05966	0.8
143.08621	0.3
145.10138	0.3
147.11673	0.5
151.03835	0.6
151.07512	0.4
157.10153	0.7
167.07060	0.4
187.07793	0.4
199.14882	0.4
219.01678	0.4
237.02893	0.4
255.06125	0.4
271.06055	0.8
289.05209	0.5
365.26309	1.4
375.08545	0.3
443.54996	0.4
464.16693	0.3
483.25702	1.0
527.25287	4.1
527.31860	100.0
528.32068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.6
55.05506	25.3
60.51760	7.8
65.03925	6.4
67.05505	84.0
69.03418	23.4
69.07066	63.1
69.63099	30.7
69.63528	28.4
79.05499	48.9
81.03404	24.8
81.07056	75.9
83.04955	10.2
83.08595	17.1
85.02882	18.6
87.08107	30.8
87.38940	7.3
91.05481	47.0
93.07033	59.4
95.04945	15.1
95.08590	54.8
97.02894	14.3
98.20727	9.3
105.07010	42.2
107.08588	38.4
109.06475	12.4
109.10151	25.4
111.04441	11.7
117.06985	25.2
119.08567	45.2
121.10136	32.0
123.11680	14.7
129.07007	22.5
131.08563	34.4
133.10127	31.9
135.11723	21.1
137.13234	8.5
143.08569	17.7
145.10127	26.6
147.11685	20.6
151.07530	10.0
155.08650	10.6
157.10112	15.2
159.11703	25.1
161.13174	14.1
169.10098	9.9
171.11635	13.8
173.13246	18.0
183.11659	10.6
185.42897	8.4
197.09608	9.6
197.13387	8.8
220.91472	6.9
261.22159	18.1
310.90729	8.3
369.24298	24.7
387.25235	17.5
405.26328	15.7
435.32370	10.3
453.33603	11.2
527.30084	9.2
527.37958	100.0
554.78052	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57975	0.7
54.49446	0.6
55.05504	0.9
55.53844	0.8
57.72709	0.7
66.41119	0.7
66.89867	0.7
67.05506	1.6
69.03419	2.0
69.07066	2.0
71.04999	1.1
71.58588	1.0
73.02894	0.8
78.29871	0.7
79.05498	1.3
81.03414	1.1
81.07040	4.4
83.08603	1.2
85.02911	2.9
85.06541	1.4
91.05468	1.6
93.07054	3.2
95.05003	0.9
95.08595	2.5
97.02859	1.1
97.06513	1.1
99.08087	0.8
105.07011	2.2
107.04951	1.3
107.08592	2.3
107.27488	0.8
109.02874	0.9
109.06500	0.8
109.10159	2.4
111.04456	0.8
119.08562	1.9
121.06531	1.3
121.10127	1.4
123.11704	1.2
125.58647	0.7
127.03930	1.8
131.04965	1.2
131.08496	0.9
133.10138	1.7
135.11726	1.4
137.05959	5.0
138.06378	1.3
145.10168	1.6
149.05966	0.9
151.03929	1.0
151.07512	0.9
153.05492	0.8
161.06006	1.7
163.07555	1.4
164.07874	0.8
167.07039	1.2
175.07568	0.9
175.14909	0.8
177.05472	1.0
178.38521	0.8
181.05008	1.1
203.05342	1.5
203.07207	0.8
207.06575	1.2
227.05469	0.9
243.04823	2.0
245.06332	3.2
261.18079	1.3
263.19904	2.0
279.19385	5.9
287.03714	16.2
289.05298	25.3
321.19174	1.3
362.14221	0.8
441.24503	1.8
483.25717	10.6
527.24628	100.0
528.25146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57975	0.7
54.49446	0.6
55.05504	0.9
55.53844	0.8
57.72709	0.7
66.41119	0.7
66.89867	0.7
67.05506	1.6
69.03419	2.0
69.07066	2.0
71.04999	1.1
71.58588	1.0
73.02894	0.8
78.29871	0.7
79.05498	1.3
81.03414	1.1
81.07040	4.4
83.08603	1.2
85.02911	2.9
85.06541	1.4
91.05468	1.6
93.07054	3.2
95.05003	0.9
95.08595	2.5
97.02859	1.1
97.06513	1.1
99.08087	0.8
105.07011	2.2
107.04951	1.3
107.08592	2.3
107.27488	0.8
109.02874	0.9
109.06500	0.8
109.10159	2.4
111.04456	0.8
119.08562	1.9
121.06531	1.3
121.10127	1.4
123.11704	1.2
125.58647	0.7
127.03930	1.8
131.04965	1.2
131.08496	0.9
133.10138	1.7
135.11726	1.4
137.05959	5.0
138.06378	1.3
145.10168	1.6
149.05966	0.9
151.03929	1.0
151.07512	0.9
153.05492	0.8
161.06006	1.7
163.07555	1.4
164.07874	0.8
167.07039	1.2
175.07568	0.9
175.14909	0.8
177.05472	1.0
178.38521	0.8
181.05008	1.1
203.05342	1.5
203.07207	0.8
207.06575	1.2
227.05469	0.9
243.04823	2.0
245.06332	3.2
261.18079	1.3
263.19904	2.0
279.19385	5.9
287.03714	16.2
289.05298	25.3
321.19174	1.3
362.14221	0.8
441.24503	1.8
483.25717	10.6
527.24628	100.0
528.25146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00071	0.4
54.72383	0.5
57.03429	0.5
57.87862	0.4
67.05493	0.7
69.03416	0.5
69.07062	0.8
69.50446	4.0
70.12631	0.4
71.03677	0.4
71.05006	0.4
79.05495	0.5
79.65210	0.5
81.03441	0.4
81.07050	1.5
85.06502	0.4
91.05504	0.6
93.07021	1.1
95.08607	1.2
95.87120	0.4
98.21516	0.8
105.07048	1.2
105.74898	0.5
107.04950	0.9
107.08598	0.6
108.05304	0.4
109.10106	0.7
117.07035	0.4
119.08540	0.4
121.10214	0.6
122.86890	0.4
127.00095	0.4
135.11668	0.5
137.05971	1.1
145.60855	0.4
154.18918	0.4
158.13972	0.4
170.75076	0.4
185.04204	0.5
203.05269	1.5
227.05162	0.7
245.06335	6.1
247.09268	0.4
250.11118	0.4
257.50250	0.4
261.18262	1.6
279.19299	3.8
289.05231	6.5
312.09607	0.4
321.19214	0.8
423.23517	2.0
441.24524	6.6
465.24591	4.3
483.25577	13.3
509.23587	16.3
527.24603	100.0
528.24835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	3.2
57.03418	4.2
61.02925	2.6
69.03413	9.0
70.03741	1.8
71.04977	2.0
71.61431	3.2
73.02903	5.6
81.03395	2.6
85.02888	14.5
94.99838	2.5
97.02880	8.1
98.97567	5.0
101.00858	4.5
105.00384	1.7
105.56689	1.4
110.97565	1.7
115.02417	1.4
116.98605	5.7
119.01904	30.0
121.03442	2.1
127.02341	1.5
127.03893	6.4
128.98639	1.8
131.00172	1.6
131.01907	20.6
133.03464	3.4
134.99599	2.9
135.05003	1.7
137.02940	8.4
143.00142	1.9
143.01883	16.1
145.03441	17.7
145.04903	5.2
146.99641	5.6
149.01219	2.2
149.02933	6.9
154.03625	1.9
155.01878	40.3
156.02092	1.5
157.03435	9.5
159.05032	10.0
161.01442	2.9
161.02939	27.8
162.03090	1.7
163.04555	8.4
167.01942	3.1
169.03444	9.4
170.99721	2.6
171.05031	6.3
173.02950	100.0
174.03052	2.1
175.04495	7.3
177.00659	5.3
177.05562	5.5
181.03423	2.4
183.04996	1.4
184.04861	8.4
184.55110	2.2
185.02919	17.9
187.02940	2.0
187.04501	30.5
189.00650	4.0
189.02425	5.4
189.06113	2.4
191.03951	5.7
193.05435	6.4
193.55663	2.2
195.04959	1.4
196.04526	6.1
197.02907	3.2
199.04552	7.7
200.04375	2.4
201.00702	2.1
201.06064	3.3
203.04021	6.5
209.50470	1.5
210.06090	2.1
213.02466	3.1
215.03992	16.8
216.03944	1.9
219.01761	5.8
219.07132	5.1
221.05042	4.1
223.04730	1.7
225.02420	2.1
227.04210	2.1
231.03607	7.1
231.07097	6.0
233.02786	2.0
233.05061	32.6
233.08672	2.1
237.02805	5.5
239.04347	1.5
243.03534	1.8
245.05048	8.5
254.04924	1.7
255.07034	1.6
256.06647	2.1
259.06744	2.1
261.02631	2.2
265.07596	2.7
273.07837	1.7
274.08047	9.1
274.58347	6.2
275.02597	8.3
275.06067	64.9
279.04019	1.8
279.07315	1.7
281.06747	3.4
287.02390	7.5
290.07251	2.7
293.03452	6.8
293.07108	4.5
301.20071	1.8
305.03394	1.9
321.10333	24.4
335.04474	2.5
335.08099	4.0
347.04675	11.9
347.08688	2.8
355.10742	3.8
355.60901	5.5
356.10840	2.4
365.10501	10.3
367.09158	2.2
370.61221	2.9
389.05328	2.1
395.06729	5.1
407.06665	47.1
449.07809	5.1
467.08704	18.7
491.09039	2.0
509.09567	8.6
527.09802	35.1
527.17163	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	526.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79884	1.6
53.03941	3.0
55.01876	3.1
55.05506	8.1
57.03146	2.1
57.03435	31.1
57.07067	4.8
57.16798	1.9
59.05000	1.7
60.04520	1.9
61.02933	10.1
62.06067	3.8
67.05510	13.3
69.03079	3.4
69.03428	51.4
69.07051	6.9
69.94230	1.5
70.91866	2.4
70.92220	4.0
71.01348	3.4
71.04989	9.2
73.02913	50.5
73.74602	1.7
75.44451	1.7
79.05455	3.0
81.03414	10.3
81.07055	36.4
83.04953	2.3
83.08599	9.8
83.46394	1.5
85.02901	100.0
85.06528	2.3
86.03273	1.7
87.04459	19.4
91.03928	3.1
91.05470	4.4
93.07049	8.6
95.08604	38.8
96.08884	1.9
97.02888	71.6
97.06524	2.1
97.10157	12.8
99.04421	6.7
101.02357	2.3
103.03937	1.9
103.05494	2.2
105.07043	2.2
107.04934	5.3
107.08580	4.6
109.02867	7.6
109.10152	50.2
115.03929	61.2
115.11198	2.9
116.98622	3.2
119.04905	2.3
121.06523	3.2
122.03659	2.8
123.04406	3.0
123.11706	57.3
124.07545	2.0
127.03908	31.9
131.04918	5.2
131.08562	3.2
133.04959	35.0
133.06488	7.6
134.06804	2.5
135.08011	3.1
135.11662	3.6
137.05974	49.5
137.13263	18.9
138.06281	15.4
145.04950	44.9
145.06187	2.5
145.06575	1.8
149.06015	2.1
150.07578	4.1
151.03839	2.2
151.07547	5.6
152.07927	2.2
153.12727	27.1
157.06412	3.7
158.06961	2.3
159.08000	2.7
161.06030	3.9
162.09186	4.6
163.06010	26.4
163.07541	12.2
164.07910	5.4
165.09167	1.7
175.07460	5.0
177.09081	2.2
177.16362	3.0
179.17949	53.5
180.10236	2.5
187.07503	1.7
189.09145	10.1
190.09430	2.0
197.18999	67.7
201.09117	2.6
207.06528	2.0
207.09930	2.6
208.09706	7.3
219.10121	16.0
220.10464	7.6
221.10771	4.4
223.05927	8.3
227.17841	2.0
241.07071	5.8
259.08194	8.5
259.10480	1.9
265.09824	2.3
277.09164	1.9
287.10266	12.7
295.10135	8.0
296.13486	3.1
325.11954	3.7
328.16287	5.6
329.23254	2.9
352.57489	1.9
353.11252	4.1
359.24203	6.2
364.21631	2.9
377.25143	2.1
379.16812	4.2
397.82968	1.7
453.16489	3.2
494.18951	10.0
526.22296	3.7
527.24786	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07005	1.0
53.03944	2.2
55.01860	2.9
55.05510	9.9
57.03183	1.9
57.03435	20.5
57.07051	1.3
59.04999	1.8
61.02933	5.9
61.88470	1.3
67.05499	13.3
69.03427	24.8
69.07060	15.1
70.07397	1.8
71.01348	2.8
71.04984	8.5
71.60975	1.6
72.08154	1.3
72.34045	1.2
73.02917	42.8
79.05499	8.6
80.61754	1.0
81.03402	3.5
81.07053	46.0
81.91882	1.2
82.07389	2.3
83.04978	4.3
83.08599	10.2
85.02903	32.7
85.06525	5.1
91.03980	1.4
91.05481	9.6
93.07045	12.1
94.06506	1.1
95.04969	1.3
95.08604	57.4
96.08931	1.7
97.02890	31.7
97.06521	10.0
97.10171	4.7
99.04443	2.9
99.08095	6.5
105.07032	16.5
107.08596	8.6
109.02869	4.9
109.06525	2.8
109.10155	7.6
110.10471	1.6
111.08083	2.6
112.08430	1.4
113.09612	2.9
114.10007	1.8
115.03922	18.5
115.07602	1.5
116.98624	1.7
119.08578	24.7
121.10139	9.5
122.05980	1.6
123.08069	3.4
123.11726	4.3
125.06010	1.3
127.03912	8.6
127.07590	1.7
133.04948	4.9
133.10124	15.6
135.04375	1.2
135.11684	13.0
137.05994	3.0
137.09641	2.7
137.13257	14.8
138.13571	2.1
139.11220	1.8
140.07088	3.2
141.09137	2.7
145.04929	5.9
145.10136	1.4
149.13261	2.6
150.07573	1.4
150.13547	1.5
151.03941	1.4
151.14854	1.5
155.14278	1.9
161.13251	68.1
161.76727	1.4
163.06088	2.3
163.07491	1.6
167.07100	1.3
167.33282	1.3
174.05435	1.4
179.14308	100.0
192.10207	2.2
195.17451	3.2
196.17691	2.3
197.15370	72.4
207.04178	1.2
207.06525	1.2
213.18501	5.7
214.18843	3.5
215.16428	40.4
215.18774	2.5
223.06050	1.3
225.10249	1.9
237.10307	3.6
245.06351	1.3
251.11795	3.7
255.11642	1.2
259.08127	1.4
259.16818	1.4
261.18271	2.7
262.18585	2.2
265.09735	4.4
267.11243	2.3
277.17810	2.7
277.92465	1.3
278.06732	1.3
278.18103	5.3
279.11365	2.9
283.10794	1.3
286.93771	1.2
287.03638	2.2
288.04065	2.1
289.05344	2.9
290.05634	1.4
292.27341	2.2
293.09192	3.8
295.10635	4.0
297.12479	1.3
309.12415	1.6
313.11743	2.7
325.11935	5.8
335.10223	3.8
353.11292	15.7
354.11942	1.5
364.21259	2.2
385.13986	2.3
406.10168	3.6
440.23166	1.6
460.10855	2.3
476.18372	1.8
482.24338	9.4
490.12225	4.5
494.19205	14.3
508.21179	1.6
526.23419	60.5
527.23682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
56.96545	1.4
57.03425	4.9
61.02909	1.6
62.12605	1.1
67.05491	3.0
67.22983	1.0
69.03424	4.8
69.07076	6.1
70.88798	3.0
71.04984	1.5
73.02911	10.4
79.05484	2.3
80.61273	1.0
81.03401	1.2
81.07052	7.5
83.04948	1.1
83.08610	3.2
85.02898	10.2
86.03205	1.9
86.09702	1.1
91.05478	3.2
93.07027	5.9
94.06570	5.9
95.04971	2.5
95.08153	0.9
95.08616	10.3
96.08975	2.3
97.02888	6.1
97.10168	1.3
98.03190	1.6
98.97586	6.0
105.06984	2.0
107.08588	8.5
108.08916	1.3
109.02834	1.1
109.10149	4.5
110.06033	1.1
111.08098	1.1
112.07586	1.6
115.03915	4.0
116.98595	4.4
120.04488	1.9
121.10133	13.1
122.06041	8.9
122.10478	3.4
127.03913	2.1
128.98630	1.6
132.08083	1.5
134.99687	1.2
135.11705	3.2
136.07547	1.6
137.05960	3.2
137.13246	4.0
140.07060	15.8
144.04442	1.2
145.04967	2.4
146.06012	3.6
146.99654	1.7
149.13326	1.7
152.06999	1.3
155.15744	1.1
158.99719	1.3
162.09100	6.4
163.07597	1.1
166.04987	1.3
170.99617	1.1
171.13730	1.1
172.03972	7.9
174.05484	6.6
177.00731	2.3
177.16371	14.0
178.16704	7.4
179.17110	2.2
180.10175	5.6
189.00699	3.3
190.04977	5.2
195.17458	3.5
196.17749	1.2
204.06580	6.8
206.08113	3.8
208.09708	10.1
209.10843	1.8
211.12141	1.5
212.09332	2.3
213.10208	1.2
223.12253	2.9
225.10179	8.8
226.11160	1.3
235.08688	3.6
236.09424	7.1
237.02887	3.0
237.10201	19.4
238.11035	1.8
239.11778	2.6
241.09734	2.2
243.11298	2.5
249.10269	3.1
250.10945	4.2
251.11787	23.3
252.08922	3.9
252.12459	2.3
253.09756	7.4
253.13437	1.9
255.11255	4.1
259.10867	1.8
261.12387	1.7
263.11877	2.2
264.08765	2.1
265.09698	26.0
266.10425	3.1
267.11282	16.0
269.09183	2.2
278.06610	3.2
279.11261	27.2
280.11990	2.1
281.09225	2.0
281.12784	2.1
282.10208	1.2
283.10861	3.7
285.12210	2.2
287.10251	18.7
292.08099	1.5
293.09164	21.2
294.09924	4.2
295.10788	19.0
296.11414	1.7
297.12347	8.9
302.07516	1.7
307.10840	7.4
309.12326	6.4
311.10101	3.9
312.11020	2.3
313.11826	19.9
317.13803	1.8
319.12952	1.5
324.11102	1.9
325.11829	34.1
327.13364	1.3
331.12906	4.1
335.10236	20.5
341.14957	1.4
345.14398	6.3
346.11194	1.3
353.11310	100.0
354.11874	4.7
355.12888	3.2
369.14642	2.4
371.12405	2.0
385.13947	15.5
387.15460	1.5
399.16235	1.6
413.18359	1.3
420.17004	1.1
429.16919	3.0
429.67310	2.1
431.19495	3.6
450.19940	3.3
452.18127	1.2
466.19531	3.7
476.18271	3.5
482.23975	1.3
494.19220	100.0
495.19208	2.0
512.20319	3.6
526.23865	10.0
526.75458	4.2
534.04083	1.2
545.22223	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	1.8
57.07037	0.7
67.05446	2.3
69.03396	1.4
69.07065	4.3
69.56588	4.8
71.04951	0.7
73.02870	0.8
73.59943	0.6
73.95676	0.5
79.05435	1.7
81.07053	6.4
83.08574	0.8
85.02876	1.4
85.06497	1.4
91.05437	1.1
93.06997	2.0
94.06557	6.2
95.04951	0.6
95.08597	4.2
96.08907	1.3
98.21426	1.4
99.08044	1.7
105.07043	0.7
107.08537	1.6
108.08854	0.7
109.10098	2.6
110.05947	0.6
110.10435	0.9
112.07590	0.6
116.04896	0.9
118.06432	0.7
120.04437	1.8
120.08956	0.6
121.10114	1.6
122.05272	0.7
122.06017	8.3
123.11695	1.5
124.07583	1.0
127.03838	0.5
135.06763	0.6
135.11629	1.5
137.05931	2.4
137.13213	0.7
138.05461	1.5
140.07054	12.6
144.04410	1.4
145.12192	0.8
146.05975	3.5
148.07617	0.9
149.13191	1.9
150.13597	0.8
152.06989	0.7
156.92334	0.6
162.05499	1.2
163.14780	1.0
163.54851	0.6
164.15094	0.9
172.03922	7.7
174.05527	5.5
190.04976	6.2
191.05722	0.8
197.10709	0.9
204.06573	8.2
206.08093	3.1
208.11351	0.8
209.10724	1.3
210.08960	0.6
211.12273	1.5
212.09380	2.2
216.06699	0.8
216.10158	0.9
222.07825	1.6
222.11366	1.0
223.12280	3.1
224.09401	1.8
225.10196	7.4
234.09164	0.9
235.08681	4.0
235.12254	0.7
235.14394	0.9
236.09317	6.6
236.66370	0.6
237.10214	20.9
238.10860	2.3
239.11855	2.8
249.10138	4.0
250.10956	4.4
251.07980	1.3
251.11787	24.7
252.08917	3.9
252.12459	1.6
253.09726	6.8
253.13361	1.9
254.10378	1.5
255.11252	4.2
261.12341	2.3
263.11737	2.1
264.08905	1.7
265.09717	27.7
266.10428	4.8
267.11267	15.8
269.12784	0.7
274.26044	0.6
278.06561	4.7
278.10327	1.0
279.11230	26.3
280.08704	1.2
280.11951	3.3
281.12866	3.0
282.10593	0.8
283.10770	3.6
284.11499	1.3
285.12259	3.8
291.11273	1.7
291.26736	1.6
292.08121	1.7
292.27148	2.8
293.05844	1.2
293.09180	22.6
294.09937	4.4
295.10724	18.8
296.11386	1.3
297.12292	8.9
306.10214	0.8
307.10742	8.2
309.12311	7.5
309.27750	0.6
310.13232	0.9
310.28033	1.0
311.10193	2.5
312.11108	3.3
313.11789	17.6
324.10928	1.9
325.11807	32.1
326.12317	1.7
331.12946	3.1
335.10233	21.2
336.10657	1.1
337.11688	1.4
345.14429	4.7
353.11288	100.0
354.12079	3.0
355.12997	2.9
358.14896	0.7
363.15176	0.6
367.12753	1.3
369.14178	0.9
371.12439	2.3
385.13870	14.2
387.15463	1.2
450.20175	2.0
452.18066	1.8
453.18655	1.1
466.19666	3.3
476.18082	2.6
482.37241	0.7
494.19208	90.9
495.19485	1.8
512.20209	1.1
526.22046	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	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
55.55494	0.8
57.03432	3.0
58.03779	0.8
61.02916	1.4
64.61903	0.8
65.03922	0.8
65.25881	0.7
67.05495	2.7
69.03423	3.6
69.07061	4.8
69.40498	5.3
69.40902	2.0
71.04958	0.7
71.88380	0.7
73.02919	4.7
79.05497	0.9
79.38490	0.8
80.44006	0.7
81.07040	2.8
83.08629	1.3
85.02910	6.8
86.09702	0.8
87.04472	1.1
91.05489	1.5
92.51948	0.8
93.07027	3.9
94.06562	6.7
94.07413	0.9
95.08598	5.7
96.08940	0.9
97.02874	3.6
97.06499	1.0
98.97595	2.2
100.11232	1.1
107.01684	0.9
107.05023	0.8
107.08596	5.1
108.08131	1.2
109.02852	0.8
109.06521	0.8
109.10155	2.2
110.06059	1.9
111.08048	1.1
112.07594	1.1
115.03956	2.2
116.98650	1.4
117.93838	0.9
120.04449	1.6
121.10130	7.1
122.06011	10.5
122.10472	2.2
123.04471	0.9
124.07601	0.8
127.03896	2.2
127.04844	0.8
134.06047	1.0
134.28418	0.9
135.11662	1.8
136.07529	1.3
137.05980	1.8
137.13257	2.1
138.05508	1.2
140.07065	15.7
142.08656	0.8
144.04453	1.3
145.04987	1.8
146.05986	4.8
154.08690	1.1
162.05486	1.3
162.09106	4.5
163.07533	1.0
164.06932	1.0
172.03900	8.0
173.04720	1.1
173.10748	0.9
174.05502	5.5
177.16393	5.7
178.16754	2.7
179.17111	1.5
180.10197	3.6
183.09288	0.9
189.00720	1.8
190.04977	6.1
191.05788	1.3
195.17482	2.4
196.17664	1.0
204.06557	8.0
206.06462	0.8
206.08037	3.8
208.09677	8.5
209.10759	3.1
210.11700	1.0
211.08559	1.0
211.12474	1.0
212.09488	1.9
222.11481	0.9
223.12282	2.8
224.09351	1.3
225.10233	6.5
226.11156	1.0
227.08063	1.1
235.08633	4.9
235.14392	1.1
236.09372	7.2
237.02840	0.9
237.10205	23.1
238.11005	3.2
239.11794	3.9
241.09789	1.5
243.11176	1.4
249.10199	5.6
250.11024	3.9
251.08150	1.2
251.11801	22.8
252.08971	3.1
252.12553	2.0
253.09714	6.5
253.13420	1.6
254.10454	1.0
255.11311	3.6
259.10660	1.2
261.12387	2.2
263.11771	1.6
264.08875	3.4
265.09705	30.5
266.10486	5.9
267.11282	16.9
269.09125	0.9
278.06555	5.0
278.10422	1.5
279.11240	26.0
280.08728	1.2
280.11929	4.6
281.12811	3.8
283.10782	4.3
284.11548	0.9
285.12119	2.8
287.10266	15.2
287.13419	1.4
291.11243	1.5
292.08191	1.3
293.09183	24.1
294.10037	4.6
295.10782	18.9
297.12311	9.6
307.10669	8.9
309.12283	7.2
311.10233	3.8
312.10992	3.1
313.11783	21.7
319.13116	1.0
324.11069	2.7
325.07874	1.9
325.11777	40.4
326.12622	1.7
327.13165	1.4
331.12769	2.8
335.10242	22.4
337.11893	2.1
341.14996	1.0
345.14481	6.5
353.11301	100.0
354.11853	3.3
355.12842	3.8
357.14261	1.6
369.14664	1.6
371.12473	1.9
385.13904	15.6
387.15234	1.4
429.17157	1.5
431.19946	1.4
448.18610	1.1
450.19974	2.2
452.17831	2.3
466.19666	4.1
476.18103	4.5
494.19196	97.2
495.19379	1.4
512.20276	1.9
526.22333	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	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93819	0.7
53.03928	1.4
53.31996	0.9
55.01855	2.9
55.05505	1.2
57.03437	47.7
57.07047	0.9
58.42669	0.8
59.04993	1.9
60.04511	2.2
61.02927	15.1
65.03937	3.0
67.05508	0.9
69.03429	47.4
69.07057	2.1
69.54229	6.8
71.01356	7.3
71.04992	3.0
72.04502	1.5
73.02917	100.0
79.05485	1.6
81.03416	5.6
81.07066	4.9
82.62533	0.8
83.01318	0.9
83.04948	0.7
83.08587	1.3
84.04471	0.8
85.02904	77.0
85.06526	2.3
87.04469	4.7
91.03940	3.0
91.05464	1.2
93.03373	1.1
93.07047	2.9
95.04977	1.2
95.08607	3.9
96.04512	0.9
97.02892	79.0
98.06049	1.7
98.21487	1.0
99.04449	3.6
99.08092	2.1
105.07021	2.3
107.08575	2.1
108.04506	0.8
109.02859	6.2
109.10141	1.8
111.04441	5.6
114.05560	0.9
115.03931	68.1
119.08586	2.2
121.10148	1.4
126.05457	1.3
127.03919	24.7
132.06618	1.4
133.04968	17.1
137.05980	1.5
137.13222	1.0
141.06989	1.7
144.06567	10.8
145.04961	34.0
147.11667	1.4
150.07616	6.4
153.06973	8.2
157.74609	0.8
162.07634	8.1
163.06012	9.0
167.07025	1.3
171.08049	13.5
180.08655	8.6
181.08572	0.9
193.05025	1.3
197.05963	7.3
200.26535	1.0
215.07028	48.8
223.05936	5.8
227.06952	1.1
233.08035	1.3
236.16269	1.9
241.07086	7.0
249.74634	0.8
256.09659	1.3
259.08041	4.9
259.20581	1.3
276.10849	1.6
293.08084	3.0
294.11884	4.0
295.10196	2.3
298.27972	1.2
309.27643	1.4
310.28284	1.4
311.09265	1.4
312.12665	1.8
328.29269	1.5
329.10187	1.3
359.11237	1.8
364.20831	2.4
377.11987	1.7
381.02292	1.0
441.24231	1.0
482.24551	1.2
483.25632	2.9
526.26093	4.4
527.08539	1.1
527.24640	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	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32394	2.4
55.01428	2.9
55.01871	4.0
55.05507	18.1
57.03420	6.1
57.07072	14.3
59.39593	2.9
60.28040	2.9
61.02903	3.4
65.03925	3.4
67.05505	28.1
69.03419	12.4
69.07063	49.1
70.34498	13.0
70.95284	2.9
71.04988	14.8
71.08608	4.8
72.05287	2.7
73.02914	12.9
73.06528	3.1
79.05474	17.3
81.03391	3.8
81.06580	6.6
81.07052	100.0
82.07375	2.8
83.04984	6.0
83.08617	20.5
85.02916	22.4
85.06580	14.0
91.05466	13.6
93.07049	32.6
95.04962	3.4
95.08602	79.3
97.02879	15.5
97.06521	10.1
97.10173	10.0
98.97559	3.5
99.08095	5.8
103.05477	3.2
105.07030	19.7
107.08577	36.8
109.02848	4.2
109.10145	52.9
109.86581	2.9
111.08070	10.9
111.11721	12.3
113.07451	3.6
115.03924	7.0
119.08560	10.2
121.10130	28.5
122.10442	4.8
123.08015	3.1
123.11702	44.5
125.09610	3.9
127.03938	8.4
131.08499	3.6
133.10124	4.6
135.11688	21.3
137.06018	4.7
137.13252	17.4
139.11182	5.4
145.04900	8.0
145.10139	3.0
147.11700	14.2
149.09666	4.0
149.13239	27.6
151.14810	4.3
153.12733	13.8
155.14265	7.7
159.11659	5.1
161.13206	6.2
163.05934	4.3
163.14833	12.8
165.12793	10.1
177.16379	11.0
191.17976	7.5
193.15990	7.5
194.16182	7.7
195.17455	5.5
196.17819	4.6
201.14828	3.5
205.19466	6.8
213.18468	10.9
214.18831	10.1
217.19540	5.3
226.57274	3.0
272.10913	7.9
273.25732	13.1
279.26907	7.4
291.26810	44.9
297.27737	10.5
309.27844	43.3
327.28973	24.6
382.11859	3.7
525.23767	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	525.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18523	2.5
54.58782	2.9
55.05515	16.5
56.99411	2.9
57.07060	8.4
61.35886	3.3
62.53094	2.7
67.05506	37.1
69.03436	7.1
69.07063	39.4
71.59448	3.0
71.60256	3.5
71.60631	3.2
79.05493	17.8
79.97095	3.0
81.07056	92.1
83.08626	16.0
85.02899	14.1
85.06548	10.1
91.05492	13.1
93.07040	41.4
95.04939	2.9
95.08601	99.1
97.02892	4.7
97.06503	5.3
97.07619	3.6
97.10165	13.5
99.08093	10.5
105.07047	10.1
107.08579	35.8
109.06482	3.5
109.10147	100.0
111.08068	8.5
111.11705	8.2
113.09645	2.9
119.08584	9.8
121.10131	39.3
123.11703	36.5
125.09650	3.7
127.03896	4.4
128.07022	3.7
133.06540	4.3
133.10107	6.6
135.11684	33.7
137.05975	12.0
137.12364	3.0
137.13226	15.2
138.09142	3.4
139.11176	10.1
147.11647	6.6
149.13252	38.0
151.14821	13.9
153.12773	3.7
161.13177	4.1
163.14793	23.9
164.07114	4.9
165.16324	5.6
167.14362	6.7
177.16350	16.3
179.17899	3.2
181.15796	3.4
189.16360	3.8
191.17993	9.1
203.17938	6.8
205.19440	6.2
209.19035	3.8
217.19527	9.8
247.24184	5.7
251.80690	3.2
261.25806	12.6
273.25751	35.8
279.26828	13.0
291.26776	77.2
309.24246	4.5
309.27869	73.8
322.89325	2.9
327.28900	14.3
364.08698	3.3
385.01324	2.8
410.69159	3.4
435.15057	2.8
436.55847	3.3
466.15054	3.6
525.22461	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	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01862	2.8
55.05508	16.6
57.03437	3.4
57.07074	9.5
59.04970	2.1
60.49303	1.8
67.05506	34.3
69.03414	7.0
69.06712	3.1
69.07064	35.9
70.17626	5.5
71.04959	1.8
71.08630	4.1
73.02899	2.2
79.05479	15.0
81.03414	3.6
81.07052	100.0
83.08608	15.6
85.02895	10.7
85.06539	21.7
91.05448	9.3
93.07040	35.5
95.04935	3.6
95.08598	92.7
97.02876	5.8
97.06487	3.9
97.07632	2.2
97.10155	11.2
98.20840	2.3
99.05536	2.9
99.08076	17.3
105.07034	8.6
107.04929	4.7
107.08593	37.1
109.02874	2.5
109.06488	1.8
109.10148	68.8
111.08076	6.4
111.11707	5.2
113.09691	3.2
119.08553	8.6
121.10135	28.6
121.83514	1.5
123.11707	42.1
125.09647	2.6
125.13283	3.6
127.03861	2.9
133.06477	6.3
133.10112	9.2
135.11690	24.5
137.05939	9.4
137.13254	13.8
139.11186	2.4
139.57593	1.6
145.10042	2.1
147.11650	6.5
149.13248	40.6
151.07329	2.1
151.14787	5.4
153.12761	3.0
161.13248	4.0
163.14819	20.1
167.06949	1.9
167.14365	4.3
171.13791	3.5
175.07549	2.3
175.14790	2.1
177.16367	12.7
179.17920	3.1
181.15903	2.9
185.15369	5.1
189.16382	6.7
191.17938	6.9
195.17432	4.4
199.16896	2.5
203.17958	4.2
205.19498	2.7
213.18430	6.4
217.19569	6.1
231.11279	11.2
235.20648	2.7
261.25607	3.6
265.25293	3.9
273.25812	10.7
274.25620	1.8
279.26813	8.1
291.26794	61.3
297.27850	7.6
309.27863	67.4
327.28879	36.4
345.29932	4.4
393.16495	3.9
421.16315	4.6
481.97061	1.9
516.87256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05507	17.9
57.03419	2.5
57.07079	11.9
59.04989	2.2
61.02904	2.7
63.46410	2.6
65.03941	3.2
67.05501	27.1
68.33340	2.5
69.03414	7.9
69.07059	38.3
71.04967	5.0
71.08627	4.1
71.59643	2.0
71.60027	2.5
79.05485	21.1
81.03391	2.8
81.07050	100.0
83.04955	2.7
83.08613	19.1
85.02890	15.4
85.06536	72.3
91.05478	7.3
93.07041	35.2
95.04940	2.7
95.08598	73.1
97.02895	4.6
97.06530	3.6
97.10140	11.0
99.08083	23.3
100.11231	8.0
103.05415	2.5
105.07032	11.7
107.08586	33.6
108.08818	2.3
109.06507	2.9
109.10145	52.1
111.08074	9.3
111.11703	8.6
113.09643	3.3
119.08544	7.4
121.06456	2.7
121.10143	32.0
123.11698	38.1
125.09623	6.9
127.03911	5.4
127.11149	3.3
131.04974	2.6
131.08560	2.6
133.10123	6.0
135.11662	17.6
137.05972	20.4
137.13248	18.3
138.06258	5.4
139.11151	8.7
145.10164	3.1
147.11665	8.8
149.13246	32.3
151.07524	3.3
151.14803	4.0
153.12730	5.4
157.50812	2.3
161.05936	4.4
161.13200	6.2
163.14803	14.8
167.14326	5.1
175.07587	3.0
177.05345	3.1
177.09190	2.4
177.16368	23.1
179.17908	3.5
182.15393	7.2
189.16345	3.0
191.17931	4.4
195.17365	12.3
203.18048	3.0
209.19011	3.4
210.14937	2.5
213.18474	66.7
223.20593	2.3
273.25735	4.1
279.26807	14.4
291.26776	35.5
297.27878	7.0
309.27808	42.4
327.28937	37.5
345.29910	3.6
482.19263	2.4
525.22742	8.8
525.87286	2.9
526.21924	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03930	1.4
55.01865	1.5
55.05500	6.8
56.96524	0.6
57.03440	0.8
57.07055	2.2
59.04977	1.0
64.36191	0.5
65.03926	0.7
67.05502	7.6
68.99783	0.7
69.03421	8.4
69.07055	6.2
70.10474	2.6
71.04969	2.1
79.05490	9.6
81.03419	4.0
81.07050	17.0
83.04974	9.8
83.08617	4.2
85.02903	7.6
85.03683	0.6
85.06542	4.2
87.00824	3.5
91.05475	7.8
93.07037	18.5
95.04961	2.8
95.08601	11.9
97.02876	2.7
97.06522	2.1
97.10152	0.9
98.20850	0.6
98.97592	0.6
99.04425	1.5
104.58494	0.5
105.01841	2.3
105.07023	15.2
107.04945	4.6
107.08582	16.1
109.02887	2.7
109.06503	5.2
109.10143	16.3
110.37393	0.5
111.08067	3.3
113.09614	6.0
117.06981	1.2
119.08571	22.1
121.02831	0.5
121.06488	3.7
121.10132	23.2
122.07269	2.2
123.04385	0.8
123.08051	2.5
123.11694	6.8
125.09605	4.3
127.03913	4.8
131.08577	3.4
133.06499	1.5
133.10118	42.3
134.10384	0.5
135.08080	2.8
135.11691	9.2
137.05974	1.0
137.09605	24.2
139.11163	5.0
143.08542	1.3
144.09300	0.6
145.04970	1.3
145.10106	4.5
147.08031	4.3
147.11684	7.4
149.02205	0.8
149.09628	4.4
149.13240	4.1
151.11165	13.0
152.85783	0.5
153.12672	0.8
156.09319	0.5
157.10107	2.5
159.02927	0.7
159.11682	4.0
161.09619	5.9
161.13275	6.0
163.11122	1.6
163.14778	0.8
165.12746	2.0
171.11684	1.7
173.13225	1.4
175.11212	3.4
175.14806	22.1
177.12695	1.1
177.16295	0.8
179.14374	0.8
185.13271	3.0
187.14810	0.6
189.12766	2.6
189.16339	1.0
191.14317	1.3
193.15776	2.4
199.14853	1.6
201.16374	5.0
203.14291	6.9
213.05482	0.8
215.17928	0.7
217.15900	3.7
217.19482	1.9
219.17424	1.2
221.15256	0.8
241.04892	1.6
241.19455	3.0
255.06485	0.7
256.07056	0.7
259.20544	28.2
260.20752	0.7
277.21600	100.0
278.21899	2.0
289.21564	1.5
328.30206	0.5
345.07416	2.6
347.08792	0.6
359.09064	0.6
367.22812	0.6
373.06805	2.9
385.23770	0.6
387.83765	0.6
388.09476	1.6
401.06326	1.0
405.13516	0.8
445.25946	1.7
469.12418	0.7
489.24762	1.9
497.12177	2.1
507.10593	2.8
507.25995	0.9
508.11200	0.6
525.11517	3.2
525.30267	0.7
526.11920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2325
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05497	0.9
56.30885	0.3
57.07065	0.5
67.05499	1.5
69.03400	0.4
69.07069	1.3
69.32284	0.8
69.32702	2.3
71.04993	0.8
73.61088	0.3
79.01589	0.2
79.05479	0.8
79.57165	0.3
81.03414	0.6
81.07053	4.5
82.00309	0.2
83.08613	1.0
85.02892	0.8
85.06528	0.8
91.05466	0.8
93.07048	1.9
95.04958	0.6
95.08599	3.8
96.10104	0.2
97.06515	0.3
97.10163	0.5
99.08101	0.5
105.07030	0.8
107.08597	2.2
109.10136	1.7
110.10517	0.3
111.08041	0.4
111.11709	0.6
117.06966	0.3
119.08589	0.8
121.10140	1.5
123.11744	1.3
125.09653	0.3
127.00069	0.5
127.03902	0.3
133.10136	0.9
135.11673	0.6
137.05981	1.0
137.13263	0.9
139.11191	0.3
141.05261	0.4
145.10138	0.3
147.11650	0.3
149.13280	1.2
151.07550	0.3
151.10986	0.3
161.13293	0.5
163.14841	0.4
167.03249	0.3
167.14284	0.3
169.04745	2.0
177.08937	0.8
177.16527	0.3
185.04214	0.3
187.06065	0.3
198.20288	0.3
199.05872	0.5
199.49881	0.3
203.05347	0.7
207.13727	0.6
227.05229	0.5
243.04736	0.4
245.06326	5.4
245.08850	0.3
259.16693	6.1
271.04163	0.3
273.25555	0.3
277.17731	7.6
289.05273	3.4
291.26663	1.6
305.17297	0.6
309.27911	1.7
327.28973	0.8
345.30051	0.3
351.17636	0.3
369.19058	1.1
411.19943	3.4
421.22070	2.6
439.23016	6.0
455.18790	0.3
463.23016	4.2
481.24094	19.9
489.11975	0.5
507.22037	4.0
525.23065	100.0
526.23450	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1181
Annotation	Chrysalodin
Peak:m/z	Relative Intensity
55.01851	3.8
55.05494	5.1
56.44053	2.3
58.89816	2.5
67.05504	4.6
68.99788	4.4
69.03420	8.3
69.07048	6.7
69.43710	25.0
70.99886	2.9
71.04968	4.0
77.49564	2.6
79.05478	7.0
81.03392	5.3
81.07017	16.8
83.04986	5.0
85.02915	7.0
91.05474	5.6
93.07034	12.9
95.04985	2.8
95.08590	8.0
97.02873	3.6
97.06489	2.8
98.97577	4.0
105.07017	9.9
107.04920	16.9
107.08574	11.3
109.02853	3.2
109.06486	4.0
109.10119	8.9
113.09657	2.9
119.08556	8.0
121.02840	9.1
121.10127	8.8
123.04410	13.2
123.11699	5.9
125.05950	3.4
125.09589	3.4
127.03915	4.3
128.64955	2.9
131.08562	3.6
133.10143	15.9
135.11649	4.7
137.02319	9.5
137.05962	7.3
137.09587	8.9
139.54439	2.6
141.07004	3.2
145.10104	3.7
147.04385	8.9
147.07962	4.2
147.11652	2.6
149.02359	4.4
151.03876	13.3
151.11130	6.4
157.06479	8.4
159.11624	3.4
160.05176	3.5
169.06444	3.2
171.11661	3.2
173.05942	3.6
175.14783	7.7
184.05144	3.0
185.05965	8.3
187.03876	7.6
187.07445	3.8
189.12779	2.8
197.05898	6.4
203.14380	3.4
211.07520	4.0
212.04646	2.7
213.05482	22.3
215.07013	9.2
224.04785	3.0
237.05391	5.2
239.07101	5.7
241.04915	37.4
243.06342	3.9
253.04875	3.9
254.05721	3.7
255.06477	30.7
256.07346	21.5
259.20496	10.5
261.09030	5.4
269.04483	5.1
269.08078	8.5
271.05615	13.7
275.07013	3.8
277.21597	35.2
287.07245	2.9
289.08487	14.0
300.07712	4.4
303.06509	5.5
316.07288	7.4
317.08035	13.5
319.09573	3.2
333.07538	3.1
339.10382	3.0
344.06464	4.2
345.07559	60.6
347.08990	4.8
356.06613	4.2
359.09329	5.7
373.07074	64.0
375.08423	5.1
387.08667	4.5
387.23563	3.2
388.09421	30.1
401.06339	28.0
403.08044	5.1
405.13318	3.7
407.09256	3.3
409.10928	4.3
412.09369	3.0
416.08557	5.3
431.08041	3.7
437.10123	8.5
439.19852	4.6
469.12851	17.6
475.07968	9.0
481.21005	4.6
491.07303	7.7
496.11380	3.4
497.12241	51.1
507.10690	88.5
525.11670	100.0
525.29706	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	525.1177
Annotation	Calodenin B
Peak:m/z	Relative Intensity
55.05505	0.3
65.03931	0.6
67.05497	0.9
68.75411	0.3
69.03427	0.6
69.07054	0.5
69.98961	0.7
69.99374	0.9
70.56830	0.3
79.05518	0.4
81.03402	0.4
81.07047	1.1
83.04983	0.3
85.02892	0.5
89.46577	0.3
91.05470	0.7
93.07043	0.6
95.08588	0.9
95.75972	0.3
97.02898	0.6
98.20802	0.5
98.97589	0.3
105.07033	0.6
107.04964	1.0
109.06458	0.4
109.10161	0.4
111.04443	0.6
117.07047	0.4
119.04952	0.4
121.01983	0.5
121.02856	9.5
121.10143	0.6
123.04429	0.8
123.11725	0.3
131.04935	0.3
131.08559	0.3
133.10175	0.4
134.03654	0.6
135.04378	0.5
137.02264	0.6
137.05988	0.6
145.02838	0.5
145.10101	0.6
147.04388	0.9
149.06007	0.4
151.03879	0.7
151.22472	0.3
157.06448	0.4
159.04494	0.4
161.13272	0.4
163.03860	0.5
165.09145	0.4
169.06601	0.3
184.05208	0.3
187.07500	0.5
189.69615	0.3
197.05989	0.5
197.13222	0.9
212.04544	0.4
213.05403	1.4
213.12820	0.3
215.06976	0.8
215.66092	0.3
227.07047	0.4
234.06535	0.3
239.07251	0.6
241.04970	1.4
243.06563	0.6
250.06340	1.7
253.04942	0.6
254.05841	0.5
255.02957	1.3
255.06473	3.1
256.07343	3.6
261.05524	0.5
262.06134	0.5
263.06860	0.4
265.05072	0.7
266.05618	0.4
267.06552	0.5
269.08127	1.0
271.06070	1.2
273.03864	0.6
274.06256	0.9
275.06909	0.4
276.04266	0.5
277.05035	1.9
278.05734	3.5
279.06461	0.8
281.04468	0.4
282.05334	0.4
282.47775	0.3
283.05966	0.6
287.07141	0.5
289.05078	0.4
289.08572	0.4
290.05716	2.7
291.06540	0.9
292.07150	0.4
303.06497	2.2
305.04453	0.7
306.05197	4.9
307.06094	0.4
318.05283	2.8
319.05997	3.3
321.07401	0.5
323.05331	0.3
327.06494	0.8
327.19562	0.4
329.04568	0.6
329.07809	1.8
331.05981	1.5
333.07663	0.5
343.05850	0.6
345.04190	0.5
345.07614	1.8
347.05536	1.2
348.06268	6.5
348.10251	0.5
357.07614	0.4
361.07062	1.0
372.06146	0.7
373.07016	3.7
374.04059	4.2
375.04861	1.5
390.07260	5.3
392.05243	6.4
399.08667	0.5
401.06494	4.8
407.07666	1.5
416.08954	2.5
423.08569	0.5
431.07614	0.6
437.09875	0.4
451.08124	0.8
453.32156	0.3
455.11179	0.4
465.09732	0.7
479.07370	2.6
481.23660	0.4
493.09058	0.9
494.09894	6.0
497.12170	1.2
509.08932	0.9
510.09763	2.6
525.11774	100.0
526.12067	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	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
56.05020	1.0
57.03418	0.7
57.07077	3.8
58.06588	1.2
60.08164	16.3
60.82586	0.4
67.05487	0.9
69.07068	0.5
69.19571	0.4
69.93774	2.6
71.07375	6.1
71.08620	1.9
81.03416	0.7
81.07059	1.2
82.69607	0.4
83.08597	0.5
84.76169	0.4
85.10191	1.0
86.09703	48.6
95.08588	1.3
98.20801	0.5
98.98470	3.1
100.83525	0.4
104.10741	100.0
109.10154	0.4
113.99624	0.4
121.10110	0.5
125.00002	26.8
163.01575	1.0
184.07339	98.8
258.11130	0.8
274.94785	0.5
341.30438	1.9
506.36008	8.7
524.37103	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	525.1178
Annotation	Flavumone B
Peak:m/z	Relative Intensity
53.63488	0.3
65.03928	0.4
70.11938	1.6
81.03406	0.4
105.07055	0.5
107.04943	0.7
111.04442	0.7
121.02863	8.8
121.03861	0.5
123.04395	0.5
135.04404	0.5
147.11479	0.4
153.35870	0.4
163.03835	0.4
187.82266	0.4
213.05499	0.9
241.04997	0.7
250.06253	1.3
253.04964	0.4
255.02928	1.7
255.06544	1.7
256.07285	2.6
262.06107	0.5
269.08142	0.9
274.06226	0.7
277.04990	1.3
278.05768	3.1
279.06534	0.9
281.04410	0.5
290.05701	3.3
291.06595	1.0
294.04959	0.4
303.06503	1.8
305.04462	0.8
306.05182	4.6
318.05209	3.7
319.06036	2.7
323.05359	0.4
331.06067	1.2
343.05963	0.8
345.07642	0.7
347.05539	1.3
348.06265	6.6
361.07275	1.2
371.05478	0.4
372.06213	0.9
373.07050	3.4
374.04132	4.7
375.04910	1.6
389.06842	0.5
390.07239	5.2
392.00684	0.6
392.05264	6.2
399.08569	0.7
401.06598	1.6
407.07724	1.0
416.08975	1.6
465.10007	0.4
493.08878	1.0
497.12128	0.7
509.08923	0.7
510.09436	2.5
525.11768	100.0
526.12085	1.0
529.71478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01863	0.9
55.05515	1.3
57.03434	12.2
57.07079	2.7
59.04980	0.9
60.04487	0.7
61.02926	4.3
67.05499	3.7
69.03073	0.9
69.03426	14.4
69.06725	0.7
69.07066	9.2
70.50179	1.8
71.01342	1.3
71.04993	18.9
73.02915	25.7
79.05491	1.2
81.03407	2.0
81.07053	6.5
82.07365	0.7
83.04965	1.1
83.08606	0.9
85.02902	23.1
87.04441	1.4
87.08093	1.4
91.03935	0.7
93.07021	1.7
95.04969	0.6
95.08597	4.5
97.02886	22.1
97.03503	1.3
97.06508	1.7
97.10157	4.4
99.04436	1.6
99.11731	0.9
105.07021	1.0
107.08586	2.1
108.38761	0.5
109.02855	1.8
109.06461	0.8
109.10154	19.1
111.04411	1.1
111.08070	0.8
111.11713	5.2
113.09637	16.5
115.03925	19.3
121.10120	2.7
122.10459	0.9
123.11695	7.2
125.09625	0.7
127.03908	9.0
127.11212	0.8
132.06520	0.7
133.04944	4.2
135.11681	2.1
137.13213	1.1
139.11194	8.2
145.04956	7.2
149.13275	1.3
150.07605	1.8
157.12236	5.4
163.06065	3.5
163.07317	0.9
177.09334	0.5
177.12735	0.7
177.16368	1.8
193.05069	0.9
195.13785	4.5
195.17439	40.0
213.18486	100.0
223.05994	3.5
241.07097	4.4
254.21043	0.7
259.08118	4.9
290.25537	1.6
295.10178	3.3
308.26492	1.9
347.41953	0.5
362.21732	1.2
524.20166	2.0
525.22791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01851	1.4
55.05504	5.1
57.03432	16.9
57.07064	2.0
59.04989	1.0
61.02921	4.6
65.03899	0.9
67.05479	3.0
69.03421	29.5
69.07059	8.7
70.29022	3.5
71.01336	1.9
71.04973	2.4
71.08627	0.9
73.02911	29.0
79.05486	3.9
81.03397	3.4
81.07040	9.6
82.15273	0.7
83.04970	1.1
83.08602	7.2
85.02897	43.8
87.04460	11.4
88.67503	0.7
91.03907	0.9
91.05462	2.6
92.71726	0.7
93.07030	12.8
95.04952	1.7
95.08595	26.2
97.02877	35.4
97.10159	3.4
99.04456	1.7
103.03922	1.5
105.07006	3.3
107.08581	31.9
109.02856	2.8
109.06532	0.8
109.10146	7.6
111.04429	1.5
111.08059	1.3
115.03917	34.1
119.08608	1.8
121.10126	53.2
123.08031	0.8
123.11691	4.6
125.09571	1.3
127.03896	10.5
131.04892	0.9
133.04950	18.4
133.10139	1.5
135.11679	14.5
137.05980	8.1
137.13232	15.9
138.06729	1.2
139.11157	1.9
145.04932	12.3
149.13254	5.0
150.07639	3.7
163.06026	5.6
163.07312	1.4
174.06778	0.9
175.07405	1.3
177.09158	1.2
177.16364	100.0
185.80464	0.7
188.90569	0.7
189.09084	2.2
193.05087	0.9
195.17430	28.8
207.10167	1.3
208.10910	2.8
209.52472	0.7
219.10129	8.0
223.06076	3.6
241.07069	4.7
250.23055	0.7
259.08112	4.2
277.09259	1.4
293.61133	0.8
295.10162	3.8
309.20584	1.9
323.54181	0.8
344.16287	1.2
355.56979	0.7
362.17242	1.2
524.27679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28811	0.4
53.03937	1.0
55.01862	1.1
55.05504	4.8
57.03434	17.0
57.07061	1.7
59.05002	1.0
60.04511	0.7
61.02926	5.8
64.13376	0.4
66.54199	0.4
66.66279	0.4
67.05502	3.0
69.03426	23.9
69.07061	8.4
71.01362	2.4
71.04980	1.8
73.02914	34.6
74.06013	0.4
75.04455	0.5
79.05485	3.7
81.03429	3.7
81.07057	8.8
83.04980	4.2
83.08612	6.6
85.02901	41.0
85.06491	0.5
86.09708	4.0
87.04475	4.0
91.03967	1.1
91.05465	2.6
93.06467	0.8
93.07043	14.4
95.04951	0.8
95.07969	0.6
95.08601	23.5
97.02887	36.3
97.10158	2.8
99.04443	2.1
103.03960	1.2
103.05434	0.5
105.07000	2.8
107.08588	30.6
109.02885	4.7
109.06533	0.8
109.10146	6.3
109.75452	0.4
111.04466	0.5
111.08066	0.8
115.03924	30.0
119.08553	1.0
121.10139	51.3
123.11703	3.9
125.09633	1.6
127.03913	13.7
128.10698	2.5
132.06570	1.1
133.04953	11.5
133.05963	0.6
133.10164	0.6
135.11684	12.1
137.05925	0.5
137.13245	13.1
139.11156	1.4
144.06587	0.8
145.04945	15.1
149.13249	4.3
150.07593	2.4
151.14771	0.5
157.08612	2.0
162.07602	0.5
163.05998	7.2
169.04950	0.6
173.13216	0.5
175.14937	0.5
177.16377	100.0
178.16743	0.5
180.08656	0.7
193.04973	1.0
195.17439	32.9
223.06036	4.5
230.13948	0.9
236.20148	0.6
241.07062	5.2
250.00005	0.5
259.08127	6.6
272.14941	1.7
277.09238	0.6
295.10242	4.4
297.98590	0.5
309.20496	0.6
312.18002	3.9
357.22351	0.6
519.66443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05518	1.1
57.03429	2.6
58.72795	0.8
60.04526	1.8
64.21695	0.9
67.05501	1.3
69.03432	2.1
69.07049	1.6
71.04987	11.7
71.60812	1.4
73.02910	2.1
78.04691	1.0
79.05497	1.6
79.59908	0.8
80.44617	0.8
81.03406	1.0
81.07048	2.5
83.04999	2.0
85.02901	15.8
86.09706	0.8
88.85864	0.8
89.57138	0.9
91.05472	2.5
93.07055	1.5
93.82056	0.8
94.04211	1.1
95.04980	2.0
95.08599	2.7
97.02862	2.3
97.06532	0.8
99.70998	0.9
103.05441	1.3
105.07095	0.9
106.04197	1.2
107.04980	1.1
107.08584	1.6
111.04431	1.0
115.05421	1.1
117.07043	1.1
121.06532	1.4
121.10151	1.0
122.03673	1.8
123.04414	4.3
124.05202	1.0
129.05469	3.3
129.07021	6.4
131.04962	4.6
131.08551	5.2
133.06534	1.6
133.10149	1.1
137.05974	35.7
138.06770	9.9
141.06938	4.5
143.04861	0.9
144.05688	1.2
145.06456	2.1
149.05975	1.1
150.06735	1.2
151.07556	3.3
153.12711	1.9
157.06465	5.7
159.08066	5.0
160.05186	1.6
161.06027	2.8
163.06035	2.5
163.07579	4.0
169.06519	2.2
171.08038	1.6
174.06760	13.2
175.07533	12.4
176.08340	2.0
177.05267	0.8
177.09190	1.2
177.16399	1.7
186.06689	2.1
187.07501	1.2
188.08270	2.4
189.09108	29.9
191.07040	1.1
191.10677	2.6
194.09450	2.4
198.04265	1.1
201.09146	7.8
203.10701	7.7
206.09363	3.6
207.10236	2.0
212.16504	1.3
213.13347	1.0
219.10159	100.0
221.11688	2.7
230.17612	1.6
237.11151	2.6
255.10237	1.3
275.90359	0.9
297.11255	1.2
315.12384	1.3
325.14334	1.3
344.16232	4.2
419.58063	0.8
458.64374	0.9
524.26532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.05509	8.6
55.60072	1.4
57.03429	5.5
57.07072	26.4
60.48743	1.1
60.81477	1.1
67.05501	15.2
67.49056	1.0
69.07063	5.6
71.04986	2.3
71.08631	19.7
75.90874	1.1
79.05489	7.9
81.03417	24.0
81.07053	18.2
83.04984	3.8
83.08615	15.8
85.02901	12.7
85.10177	9.1
91.05471	10.5
93.07033	7.1
95.04973	9.2
95.08598	17.6
97.02879	1.6
97.06544	1.8
97.10165	5.3
105.07042	8.9
107.08602	2.4
109.06489	2.1
109.10160	7.6
111.08073	4.1
119.08592	6.8
121.10159	2.6
122.91383	1.1
123.11713	2.6
129.06989	4.1
131.08577	3.7
133.10132	4.4
147.08107	1.5
147.11673	6.6
149.09613	1.7
157.10133	6.2
165.12784	1.7
175.11217	5.4
193.12239	23.9
211.13281	30.7
229.65785	1.9
239.23691	5.5
267.15924	6.6
267.31451	1.3
313.27423	5.1
505.38892	2.8
511.28696	1.2
523.39911	100.0
524.40216	2.0
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
50.45818	1.8
54.51498	2.0
55.05508	14.2
57.03427	5.8
57.07069	33.2
66.92617	1.9
67.05218	2.2
67.05511	24.2
69.03411	2.4
69.07069	10.0
71.08631	23.4
71.61647	2.7
79.05506	14.0
81.03416	34.7
81.07059	34.7
83.04980	7.3
83.08629	17.0
85.02909	17.0
85.10170	10.9
90.75083	2.2
91.05478	17.6
93.07051	7.5
95.04970	11.9
95.08599	26.7
97.10168	8.7
98.47878	2.6
99.08101	2.2
105.07050	13.9
107.04983	3.9
107.08607	5.3
107.38613	2.2
109.10155	8.7
111.04309	2.2
111.08022	4.4
119.08611	11.6
121.10127	5.0
123.11695	4.9
126.02198	2.1
129.06993	4.2
131.08594	5.3
133.10121	4.0
137.09598	2.5
145.10196	2.2
147.11723	7.1
149.09650	3.4
157.10147	5.9
165.12808	3.4
175.11215	8.2
193.12256	31.9
209.82991	2.5
211.13278	32.0
239.23634	3.9
267.15933	5.8
312.77707	2.0
313.27435	5.9
317.25693	2.0
319.01657	2.0
505.38934	4.3
523.39935	100.0
524.39978	5.0
545.24902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07692	1.0
55.05505	12.4
57.03419	1.4
57.07072	39.2
65.03919	1.1
65.13531	1.1
67.05500	29.8
69.07066	17.5
70.35151	3.8
71.04974	2.4
71.08627	26.8
76.09736	1.0
79.05488	12.3
81.07051	79.5
83.04974	3.3
83.08614	16.2
85.02921	1.3
85.06529	4.3
85.09701	1.5
85.10180	16.5
91.05469	17.2
93.07046	9.6
95.04963	1.7
95.08604	34.3
97.06525	3.8
97.10162	6.3
99.08082	3.9
105.07025	27.2
107.08596	8.3
109.06515	3.2
109.10151	11.9
109.27621	1.1
111.04387	1.0
119.08571	18.7
119.13457	0.9
121.10138	15.1
123.08070	3.2
123.11696	24.2
127.07569	1.9
137.13252	3.7
141.09154	1.4
145.10034	1.3
147.11678	50.5
165.12732	27.6
183.13855	3.6
193.12302	1.3
211.13252	1.4
220.16908	0.9
229.14394	5.2
239.23706	6.5
266.78857	1.0
267.15900	38.8
313.27499	1.0
404.29874	1.2
523.39929	100.0
524.40039	4.7
546.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87854	0.7
53.03927	0.9
55.05263	0.9
55.05508	12.7
57.03439	1.5
57.07071	33.6
60.03098	0.7
65.03934	1.9
67.05500	30.3
69.07062	16.6
70.18899	2.2
70.19318	1.6
71.04978	2.1
71.08625	22.4
79.05486	13.1
81.07049	74.0
83.04958	2.9
83.08610	14.7
85.06519	3.7
85.10176	13.1
91.05470	16.1
93.07036	8.8
95.04949	2.3
95.08597	30.1
97.06512	3.1
97.10140	4.1
99.08081	2.1
101.06028	0.7
105.07019	25.4
107.08580	7.0
109.06503	1.8
109.10150	9.9
113.06080	1.0
114.46456	0.7
119.08569	19.9
119.14413	0.9
121.10121	13.9
123.08044	2.6
123.11700	23.7
127.07562	2.2
131.08554	0.7
133.10112	1.0
137.13275	2.6
141.09087	1.0
147.11673	43.3
150.18776	0.7
165.12744	24.0
183.13783	4.0
188.70830	0.7
201.77440	0.8
229.14417	4.6
232.61920	0.7
239.23712	4.8
246.13446	0.7
267.15887	37.4
285.16977	0.9
523.39905	100.0
524.40186	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05503	10.1
57.03429	5.1
57.07070	26.1
67.05499	18.9
67.68260	0.5
69.03419	1.2
69.07060	7.1
69.39672	3.5
69.40078	1.5
71.04984	2.4
71.08227	0.8
71.08624	17.2
79.05484	8.3
81.03410	29.0
81.07048	23.2
82.63782	0.5
83.04984	4.6
83.08132	1.0
83.08608	16.6
85.02897	14.1
85.06532	0.8
85.10172	9.4
86.24773	0.5
91.05476	10.4
93.07036	6.4
95.04959	12.8
95.08599	19.9
97.02869	1.4
97.06499	1.4
97.10167	6.4
99.08082	0.7
99.11693	0.6
102.15797	0.5
105.07012	9.0
107.04956	2.3
107.07973	0.5
107.08575	3.4
109.06517	2.3
109.10149	8.7
111.04465	1.0
111.08067	4.9
111.11718	1.1
113.05994	1.9
115.05432	0.9
117.06985	0.6
119.08578	8.2
121.06528	0.6
121.10140	5.2
123.08067	1.5
123.11678	3.1
125.13286	0.8
129.06989	3.7
131.08562	4.8
133.06474	1.2
133.10118	4.5
137.09604	1.0
137.13264	1.5
145.10057	0.8
147.08046	0.6
147.11679	6.3
149.09608	2.1
157.10135	5.6
165.12715	1.5
175.11183	6.7
175.66348	0.5
190.87018	0.4
193.12222	27.2
211.13271	32.8
221.22633	0.8
231.06598	0.5
239.23700	4.4
249.14758	0.6
267.15900	7.9
285.16907	1.0
313.27332	7.3
360.18134	0.6
463.72037	0.5
485.59048	0.5
505.38525	4.0
523.39893	100.0
524.40057	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01846	1.2
55.05509	10.8
57.03432	5.8
57.07072	33.8
60.99649	0.7
65.03928	1.1
67.05504	20.8
67.05868	1.1
69.03431	2.2
69.07063	9.7
70.08482	3.5
71.04990	2.8
71.08628	23.8
71.74059	0.7
79.05486	12.8
79.05904	1.2
81.03413	33.6
81.07052	27.2
83.04974	5.9
83.08615	18.3
85.02903	17.3
85.06515	0.8
85.10175	12.1
91.05474	17.2
93.07037	8.6
95.04963	14.4
95.08601	24.3
97.02887	1.1
97.06541	2.1
97.10163	5.2
105.07023	13.1
107.04977	3.1
107.08588	3.6
109.06517	2.1
109.10155	9.9
111.04463	1.6
111.08086	5.2
111.11724	1.2
113.06030	1.0
117.07037	1.2
119.04969	0.8
119.08588	8.7
121.10121	4.6
123.08067	1.9
123.11713	5.1
128.06276	0.8
129.06998	5.9
131.08563	6.6
133.06529	1.2
133.10121	4.3
137.09659	0.7
137.13231	2.2
139.49921	0.7
142.07823	1.8
145.10120	0.9
147.08061	1.3
147.11674	6.3
149.09644	2.9
157.10112	6.5
165.12790	2.0
175.11156	7.7
180.00412	0.8
193.12228	31.0
209.54305	0.7
211.13280	36.5
219.42216	0.8
239.23662	5.3
249.14861	0.8
267.15945	9.6
306.31686	0.7
313.27353	10.2
505.38956	6.5
523.31287	4.8
523.39911	100.0
524.30573	1.0
524.40149	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68509	13.2
51.93405	14.3
53.03919	15.3
55.05518	39.4
57.03431	18.3
57.07076	40.3
57.74124	12.2
67.05499	98.2
69.03409	27.4
69.07072	38.3
69.37609	88.1
69.38035	54.8
71.08617	27.4
75.33415	17.1
75.42861	14.7
79.05496	40.4
81.03424	69.3
81.07066	100.0
83.08621	41.9
85.02896	21.7
88.84673	13.3
91.05500	43.6
93.07059	69.0
95.04985	28.7
95.08591	92.8
97.02912	20.9
97.10191	17.5
98.20714	26.9
105.07040	56.1
107.08595	46.2
109.06522	17.6
109.10164	42.5
111.04451	20.4
115.63152	12.7
117.07040	16.4
119.08567	39.7
120.88967	13.5
121.10152	32.9
121.21073	14.2
123.08138	16.4
123.11708	38.4
131.08560	28.2
133.10110	41.8
135.11725	19.0
141.09120	15.1
145.10143	16.4
147.11679	39.3
149.13313	18.3
173.13261	15.6
176.07397	15.8
179.75276	15.7
189.27702	17.6
193.12305	24.5
209.11627	20.5
261.22043	27.2
267.15964	52.0
303.15906	13.4
303.23196	29.8
313.27438	38.3
315.23398	16.0
369.24109	45.6
387.25302	53.2
405.26437	40.4
423.27203	23.9
505.39282	21.8
523.39813	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	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69489	3.0
55.05503	18.3
55.18027	3.1
57.03428	4.2
57.07066	9.5
67.05502	35.1
69.03417	6.4
69.07066	39.8
69.39193	26.3
71.05021	6.8
79.05495	22.6
81.07051	100.0
82.23333	3.4
83.04994	4.8
83.08613	11.5
85.02901	9.5
85.06541	26.9
91.05492	16.9
93.07032	46.5
95.04961	10.9
95.08595	88.3
97.02874	4.9
97.06519	7.8
97.10168	9.6
99.08100	20.0
104.98982	2.9
105.07019	29.8
107.08597	40.3
109.06544	3.6
109.10148	58.7
111.08125	5.2
111.11713	9.0
113.09628	3.2
118.90869	3.2
119.08567	26.6
121.10135	36.6
123.08089	5.3
123.11692	28.0
124.07623	3.5
125.09618	7.7
127.11177	4.1
131.08559	8.9
133.10107	22.2
135.11685	34.6
137.05946	35.3
137.09605	5.4
137.13206	12.8
139.11171	9.5
145.10086	12.5
147.11688	15.4
149.13246	25.0
151.11191	3.4
151.14816	5.0
159.11699	13.2
161.05988	10.9
161.13252	13.7
163.07516	6.0
163.14803	8.9
165.12744	6.1
167.07010	5.8
167.14449	3.4
169.12186	3.6
173.13217	5.6
175.07561	5.1
175.14859	11.1
177.09161	4.7
177.16365	19.8
181.08569	4.9
187.14784	9.7
189.16423	8.0
191.17979	6.8
195.17429	12.0
201.16443	5.4
203.10645	5.4
205.19299	3.4
211.16985	3.6
213.18466	31.4
215.17964	7.7
219.20863	3.5
221.11772	3.9
229.17860	8.4
271.24258	14.4
277.25284	13.9
289.25186	27.5
295.26331	13.4
307.26215	33.2
317.13779	4.1
325.27429	17.7
343.28409	5.9
401.14056	8.4
502.68921	3.3
523.17767	19.1
524.19897	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	523.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13222	0.5
65.69650	0.6
70.77428	1.1
70.77784	1.5
78.39827	0.6
81.07047	0.8
91.91967	0.6
95.08602	1.3
107.08552	0.7
111.01923	0.5
169.10034	0.6
177.16475	0.6
189.47319	0.5
193.05069	0.7
200.07843	0.6
287.18597	1.8
310.45587	0.7
523.28778	100.0
524.29083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01880	1.5
55.05503	6.0
57.07065	4.4
67.05502	12.3
69.03420	4.0
69.07065	17.0
69.43939	6.4
69.44374	4.7
71.04954	1.6
71.08634	3.5
73.02895	1.4
79.05498	8.5
81.07050	43.3
83.04969	2.8
83.08611	5.9
85.02460	1.1
85.02884	6.4
85.06541	3.7
91.05471	9.1
93.07040	21.6
94.04192	4.3
95.04961	4.6
95.08600	39.4
97.02891	1.7
97.06529	2.7
97.10176	2.4
98.21479	1.7
99.08065	4.4
103.05443	3.3
105.07025	15.5
107.05011	2.3
107.08582	20.6
109.06495	2.0
109.10149	25.5
111.08036	2.4
111.11698	2.9
117.07040	1.2
119.04981	1.6
119.08567	11.2
121.06536	1.7
121.10130	18.3
122.03654	7.8
123.08012	2.0
123.11707	14.3
125.09620	1.4
127.11268	1.4
129.06989	1.3
131.04935	4.8
131.08585	2.7
133.06479	2.9
133.10130	10.2
135.11691	13.8
137.05972	100.0
137.09598	2.6
137.13205	9.3
138.06302	4.5
139.11192	3.6
145.06464	1.4
145.10152	3.5
147.04416	1.5
147.11655	9.5
149.05980	1.9
149.13234	8.8
151.07535	8.0
151.11177	2.0
151.14781	1.4
153.12779	2.0
155.10658	2.0
159.08069	1.6
159.11705	4.6
161.05962	7.1
161.13268	4.9
163.07515	10.2
163.14787	4.4
165.05376	1.3
165.06967	1.2
165.09131	2.6
165.12744	3.6
166.07739	1.2
167.07037	3.9
167.14314	2.4
169.06555	1.3
169.12262	1.3
173.13254	3.7
174.06808	1.6
175.07529	7.3
175.14830	4.5
177.16388	18.7
181.08595	5.8
187.07542	2.2
187.14821	2.9
189.09084	3.4
189.16403	3.9
191.17984	1.7
193.15855	1.6
195.08043	1.9
195.17455	6.6
197.09460	1.9
201.09109	2.6
201.16434	1.5
203.17827	1.6
207.17575	1.7
211.16861	1.6
212.08315	1.9
213.18459	6.1
215.17873	2.9
225.09135	2.0
225.57007	1.0
229.17969	7.7
237.09218	1.5
245.62206	1.2
253.08600	1.3
257.11722	2.0
259.23917	1.2
271.24146	9.5
277.25232	3.2
283.09659	1.7
285.11197	3.6
287.12936	1.3
289.25229	12.3
295.26266	2.1
297.11160	3.0
299.12677	1.5
307.26260	11.8
311.12579	1.6
315.12225	1.3
317.13824	3.7
325.27386	9.2
332.63852	1.1
343.28299	1.1
349.14233	1.8
351.15909	4.1
369.17206	1.5
426.78110	1.3
475.20172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13580	0.7
53.03953	1.2
55.01842	1.1
55.05503	3.6
57.03429	1.4
57.07069	0.8
65.03936	0.7
67.05496	5.8
69.03423	3.5
69.07059	5.8
71.04992	4.0
71.58532	1.5
73.02904	1.3
79.05480	3.8
81.07055	17.4
83.04979	1.9
83.08615	2.7
85.02905	4.4
85.06540	4.4
86.09698	0.9
88.30017	0.8
91.05472	6.2
93.07046	8.5
94.04176	3.8
95.04964	2.3
95.08603	15.4
97.02888	2.1
97.06525	1.2
97.10148	1.9
99.08089	2.6
103.05460	2.3
105.07031	6.5
107.04942	1.5
107.08585	7.5
109.06513	2.4
109.10157	11.2
111.08073	1.4
111.11692	1.0
113.09620	0.9
115.03928	0.8
115.05414	1.0
117.07016	1.2
119.04938	2.7
119.08605	4.5
121.06532	1.1
121.10138	7.1
122.03649	8.1
123.04404	1.2
123.08040	0.7
123.11711	9.8
125.09624	1.4
127.07546	0.8
127.11176	2.5
131.04918	4.2
131.08513	0.9
133.06471	2.0
133.10107	3.6
135.04382	1.7
135.08046	1.4
135.11673	4.9
137.05971	100.0
137.09616	2.3
137.13223	2.1
138.06303	1.0
139.11163	1.9
144.05701	0.8
145.06453	1.5
145.10110	2.0
147.04312	1.1
147.08003	0.9
147.11682	2.5
149.05960	2.3
149.13255	4.4
151.03928	0.8
151.07542	11.8
151.11182	1.3
153.12721	0.9
155.10629	1.8
157.06514	1.7
159.11711	2.2
160.05193	0.9
161.05963	6.0
161.09595	0.7
161.13275	2.8
163.07535	6.9
163.14838	2.0
165.09145	4.2
167.07010	2.3
167.08540	1.0
171.08034	0.7
173.13228	1.7
175.07542	6.4
175.14828	1.3
177.05441	0.9
177.09044	1.0
177.16283	1.7
179.07034	1.0
179.08528	1.0
181.08585	1.0
187.07556	1.9
187.14838	1.9
189.09160	3.7
191.07043	0.8
191.17838	0.9
193.06413	0.9
195.08002	1.0
195.17384	1.0
201.09062	2.0
201.16225	1.3
203.07005	1.5
203.10712	1.3
203.17963	1.3
207.10164	0.8
211.07568	0.9
211.16951	6.6
211.30707	0.8
212.08273	0.9
213.09032	1.4
213.18581	1.7
215.17967	1.3
219.08200	1.0
221.08000	0.8
223.07507	1.1
225.08998	1.1
227.10683	1.8
229.17998	13.7
233.09506	0.8
237.09131	0.9
239.10660	2.3
253.08444	0.8
255.10260	1.2
257.11703	2.3
261.00912	0.7
261.09125	0.8
265.08502	1.6
269.08142	2.9
271.24109	2.6
279.77069	0.8
285.11362	1.6
287.12683	3.3
289.25208	5.3
295.26511	1.3
297.11176	4.5
299.12903	2.5
307.26459	5.0
311.12750	1.3
325.14291	0.9
325.27344	2.7
337.14352	0.9
343.28537	1.8
349.14349	1.7
351.15918	3.6
363.15936	1.9
369.17203	1.1
381.16953	1.6
401.14233	0.8
475.21277	1.6
487.21051	2.3
493.22366	1.0
505.22290	1.0
523.17639	1.5
523.32526	1.2
546.69592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1024
Annotation	Cassiamin A
Peak:m/z	Relative Intensity
56.57506	0.9
67.05486	1.0
69.07059	2.0
71.63409	1.3
81.07082	1.5
83.08604	1.1
83.61825	0.9
85.02911	1.4
93.07014	1.5
95.04958	1.2
95.08627	2.0
105.41754	1.0
107.04936	7.2
107.08553	1.1
121.02822	1.7
123.04414	1.0
127.03923	1.2
129.07079	0.9
134.03609	1.2
134.62346	0.9
135.11723	1.0
137.05983	1.8
145.10146	1.1
147.04411	1.8
151.03931	1.7
178.47876	0.9
213.05518	1.6
215.07051	1.0
255.06618	2.0
256.07428	2.7
265.05026	1.8
281.04584	1.2
287.07205	3.1
315.06396	3.0
343.05902	1.5
344.07056	1.4
371.05316	7.7
371.09360	1.2
372.06781	1.0
387.12262	4.2
399.04883	10.5
401.10385	5.4
402.11050	1.4
407.09238	1.5
414.07379	4.1
417.07813	1.5
417.13281	18.3
419.08963	1.8
429.06668	1.3
435.08667	3.6
436.09662	1.8
463.08185	2.8
475.45419	1.1
477.09824	1.1
479.07474	2.3
491.07660	4.0
495.10495	6.3
507.07025	5.6
508.08032	1.4
523.10229	100.0
523.17444	17.7
524.10889	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05031	0.5
57.03427	0.2
57.59870	0.1
58.06632	0.5
59.07390	0.2
60.08161	5.9
67.05489	0.2
69.07063	0.5
69.94720	0.3
69.95127	0.2
70.06555	0.1
71.07369	2.8
79.05518	0.1
81.07041	0.3
83.08637	0.2
86.09701	29.4
87.10072	0.1
93.07048	0.2
95.08614	0.3
97.06529	0.1
97.10155	0.2
98.21381	0.1
98.98457	2.6
104.10739	2.8
107.08593	0.1
109.10157	0.2
121.10178	0.1
124.99998	20.1
135.11667	0.1
143.01045	0.2
161.18260	0.1
163.01476	0.1
166.02608	0.2
170.12161	0.1
172.95250	0.1
184.07330	100.0
185.07735	0.5
258.11044	0.1
339.28885	0.1
455.85022	0.1
504.34528	1.2
507.93643	0.1
522.23132	0.2
522.35492	3.6
523.36047	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.12007	0.3
55.05509	2.0
56.05017	0.9
57.07066	0.6
58.06604	1.0
60.08161	15.7
63.87395	0.3
67.05479	1.2
69.07063	2.4
69.35835	2.2
69.36263	1.2
71.07370	5.8
71.08675	0.4
71.76209	0.3
79.05493	0.6
81.07044	1.4
83.08613	1.4
86.09702	48.8
88.55993	0.4
93.07027	0.4
95.08605	1.4
97.10172	0.4
98.98451	2.9
104.10738	100.0
107.08610	0.5
109.10129	0.7
121.10161	0.4
124.99996	25.9
135.11690	0.5
163.01611	0.7
166.02628	0.4
172.95247	0.7
178.49690	0.4
179.53011	0.3
184.07330	91.9
190.96361	0.5
200.49541	0.4
258.11005	1.0
325.27432	0.5
339.29028	1.1
432.80551	0.4
445.26984	0.4
504.34476	10.3
522.35553	37.8
523.35809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.7
53.03947	3.6
55.01867	3.9
55.05497	8.0
57.03439	5.2
57.46133	2.3
67.05501	14.7
69.03426	9.2
69.07052	16.2
70.19095	6.2
70.19512	10.0
71.04987	29.5
72.05297	3.5
73.02917	6.2
73.06577	4.0
79.05486	23.6
81.03422	4.8
81.07052	93.6
83.04974	2.7
83.08609	4.3
85.02898	27.7
87.00829	7.0
91.05457	15.4
93.07039	39.9
95.04956	5.2
95.08595	35.0
97.02896	11.4
97.06506	3.5
98.21441	3.8
99.04514	3.8
99.08076	5.3
101.03603	2.6
105.01866	18.2
105.07026	44.4
107.04902	2.6
107.07874	3.1
107.08589	48.7
109.10142	36.1
111.11735	3.3
117.07003	4.8
119.08581	82.3
121.10136	19.5
123.11694	36.2
125.09640	2.6
127.03906	14.4
127.11186	32.7
129.07065	3.9
131.04904	4.5
131.78568	2.4
133.10136	35.4
135.11682	100.0
137.05971	27.8
137.13231	3.6
138.06332	4.7
143.10651	16.1
145.04996	9.0
145.10136	3.5
147.11681	23.7
149.05980	4.3
149.13248	9.4
151.07591	3.4
151.11194	4.2
153.12788	8.8
159.11673	3.8
161.06044	4.7
161.13263	18.4
161.14391	3.1
163.14751	3.1
165.12782	3.0
167.07063	5.1
173.13324	3.2
175.14807	8.0
177.05498	3.8
177.16452	3.2
193.15872	36.4
203.06926	3.2
203.17966	75.4
211.16884	23.5
221.18996	63.5
222.19456	3.8
231.05042	4.5
236.85439	2.5
249.06036	4.8
260.05591	2.9
294.20709	2.8
335.66135	2.7
345.73889	2.6
372.15240	7.3
395.83051	3.0
455.62253	2.8
462.17456	3.3
522.20105	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05504	1.3
55.83660	0.6
57.03181	0.9
57.03434	11.1
59.04990	0.8
61.02916	2.9
67.05509	0.7
69.03063	1.1
69.03423	13.1
70.39269	2.7
71.01337	1.5
71.04988	46.5
73.02914	23.8
78.34098	0.6
79.05483	0.8
81.03407	1.4
81.07050	5.4
85.02904	18.5
86.60081	0.6
87.04467	1.3
87.08121	1.0
91.05499	1.0
93.07034	2.2
95.08610	1.4
97.02887	18.0
98.21515	0.6
99.04431	1.2
101.83833	0.6
105.07037	3.2
107.08582	3.6
109.02863	1.9
109.06528	0.8
109.10117	1.3
115.03921	12.8
119.08601	2.3
121.10137	24.7
123.08054	2.7
123.11700	34.1
127.03926	5.0
133.04996	3.5
133.07652	0.7
133.10114	2.1
135.11726	1.9
137.05946	1.2
145.04947	4.1
149.13199	1.3
151.11179	4.9
151.14841	0.7
160.55112	0.8
163.06038	2.1
165.12775	5.3
165.16417	1.3
175.14819	5.8
185.56689	0.7
193.15874	100.0
194.16217	1.8
211.16922	87.8
223.05981	2.1
229.17926	4.3
241.07126	2.5
259.08096	2.2
291.74518	0.7
295.10193	2.1
306.19955	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	522.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03431	4.6
59.37791	1.7
60.02127	8.0
61.02908	4.7
67.05511	1.8
69.03426	13.1
70.06555	2.0
70.89755	3.6
72.08118	1.6
73.02902	6.1
79.05466	3.6
81.03406	4.4
81.07050	6.7
85.02902	23.5
86.09683	2.5
87.04452	2.3
91.05458	4.0
93.07062	4.0
95.04958	3.6
95.08591	4.2
97.02885	11.8
99.04427	2.8
103.05448	2.4
105.07001	2.6
107.08593	1.9
109.10135	3.7
115.03945	1.8
115.05431	2.2
119.08572	3.8
121.10072	2.1
123.11691	1.7
127.03893	5.6
129.06958	2.6
131.04883	5.1
133.10086	4.8
135.11652	2.5
136.12012	1.7
137.05963	29.4
137.09560	1.9
147.04376	4.2
149.05974	2.7
151.03874	2.9
151.07513	2.4
159.40715	1.8
161.05948	8.3
162.06769	4.5
163.07578	8.9
164.08119	2.7
165.06973	2.9
173.06059	2.2
174.06732	11.0
175.07492	4.0
175.14746	3.6
178.07718	2.0
179.08372	2.4
182.74974	1.7
183.08051	2.2
187.10985	2.1
191.08530	3.4
193.06485	2.3
195.08052	2.8
203.08559	2.4
205.06473	3.4
207.08142	4.0
207.10138	2.1
208.10973	4.1
209.05711	1.8
210.06738	3.5
211.07512	3.0
219.07925	3.0
221.05911	6.0
221.09558	3.2
222.06738	3.4
223.07504	5.1
224.08281	3.4
225.09047	5.6
230.52995	2.1
231.08034	2.2
235.07506	4.3
237.09030	7.8
239.07036	3.8
240.07800	2.2
245.09746	2.3
247.07503	3.2
248.08316	3.1
249.09097	5.7
250.06357	2.4
251.07025	3.9
251.10620	4.1
253.08553	8.9
253.12308	2.0
254.09314	2.4
255.10249	2.4
263.10547	2.6
265.08588	10.9
266.09229	9.5
267.06729	2.0
267.09979	4.5
269.08109	2.7
271.09485	2.6
277.08618	4.5
279.10117	5.6
280.07648	2.1
280.10751	3.1
281.07944	7.9
281.11414	4.5
282.08826	2.5
283.09790	10.0
283.12674	2.4
285.11136	6.2
286.11945	11.3
291.10016	2.0
293.11612	5.6
294.08810	2.0
295.09622	3.1
295.13235	2.2
296.10211	3.2
297.11176	10.7
298.11957	20.0
299.12750	5.5
309.11145	12.0
310.11978	6.2
311.12683	9.1
323.12701	2.3
324.13388	3.3
325.14648	2.1
326.15121	4.0
327.12228	35.0
329.13879	9.4
330.14590	77.3
341.13821	100.0
342.14594	100.0
343.14954	3.2
353.13708	4.1
355.11670	2.7
358.14331	3.2
391.26846	2.0
492.19946	37.5
504.19919	33.7
522.20697	3.8
535.10950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80714	0.8
55.05513	7.5
56.26956	0.7
57.03436	7.5
57.07072	1.6
60.04510	1.1
67.05500	19.8
69.07066	12.0
70.42985	2.3
70.43394	2.0
78.58067	0.8
79.05490	6.3
79.17305	0.7
81.07058	20.5
83.08614	6.6
85.06501	1.0
88.03986	5.1
91.05446	3.9
93.07040	7.0
95.08597	16.7
97.06534	0.9
97.10181	2.6
97.92199	0.8
98.98467	3.1
99.08097	0.8
105.07033	3.0
105.70697	0.7
106.04976	1.4
107.08569	3.6
109.10155	6.6
119.08595	3.2
121.10152	2.7
123.08026	0.8
123.11665	2.2
133.10110	2.3
135.11674	2.5
147.11639	1.5
161.13271	1.2
173.13187	0.7
184.07317	1.2
263.23776	0.9
296.97318	0.9
337.27350	100.0
338.27670	3.1
350.26697	1.4
383.48398	0.9
522.34039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03419	6.6
60.02127	7.4
61.02908	3.3
69.03430	15.0
69.30258	4.3
69.30667	21.7
71.05009	2.5
73.02904	6.5
81.03406	4.8
81.07024	4.3
85.02908	19.5
87.04464	3.0
93.07036	2.6
95.08598	4.5
97.02876	8.8
103.05431	2.8
105.07025	4.1
107.04968	2.2
107.08619	2.7
109.02853	2.2
109.10123	3.6
119.08523	2.8
121.10196	1.9
122.92952	2.3
127.03888	3.6
129.06927	2.2
131.04897	3.5
133.06566	2.3
133.10095	3.5
135.08002	2.3
137.05965	25.8
149.06114	2.4
151.03851	3.2
151.07541	2.6
154.09431	2.2
161.05966	9.5
162.06720	4.0
163.07516	7.5
165.07040	2.7
166.07806	2.5
174.06728	8.3
175.07437	3.0
175.14781	4.9
181.06503	3.2
195.08122	3.0
205.06554	2.4
207.08203	2.7
208.10941	4.8
209.09639	3.8
211.07550	5.3
211.16977	3.6
218.07063	2.6
219.08099	4.2
221.05907	5.4
221.09502	5.6
222.06674	5.7
223.07555	3.8
224.08322	3.9
225.09129	8.7
225.51656	2.5
235.07541	5.2
237.09071	7.9
238.09885	3.1
239.06989	4.3
249.09096	5.9
251.06949	5.1
251.10649	2.7
252.07791	3.1
253.08592	11.2
255.10100	4.4
265.08450	15.1
266.09317	6.4
267.10141	5.2
268.07324	2.7
271.09525	3.0
277.08618	2.3
279.10153	5.0
281.08069	8.2
281.11487	3.6
282.08533	3.0
283.09549	6.2
285.11142	6.6
286.11935	8.0
295.09808	5.1
295.12943	3.0
296.10208	3.5
297.11288	12.2
298.11996	21.5
309.11127	13.3
310.11841	5.1
311.12744	11.6
312.13867	3.4
323.12839	4.7
326.14740	2.3
327.12219	36.5
329.13815	7.2
330.14594	74.8
341.13828	90.6
341.18033	5.0
342.14581	100.0
359.15048	2.5
492.19931	34.8
504.19955	32.3
522.21289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46745	3.4
55.01876	3.9
55.05508	13.9
57.07070	6.6
67.05499	25.1
69.03427	14.0
69.07066	36.9
70.70783	3.1
71.04984	7.1
71.59850	5.5
71.60240	4.1
79.05487	17.1
81.03400	7.6
81.07043	88.8
83.08612	13.9
85.02902	14.6
85.06543	7.1
87.00809	3.2
87.04444	3.4
91.05472	15.3
93.07032	33.2
95.04962	9.1
95.08600	66.9
97.02869	6.9
97.06525	4.0
97.10143	8.4
99.04433	4.3
99.08057	4.9
105.07024	22.9
107.04960	5.5
107.08585	42.7
109.02893	4.6
109.06503	9.3
109.10147	37.5
111.08076	5.3
111.11720	6.0
117.07022	3.9
119.08563	22.1
121.06496	7.4
121.10143	28.5
123.08041	11.6
123.11687	21.5
125.09637	7.9
127.03919	8.4
131.08554	12.1
131.88625	3.0
133.10118	13.3
135.08136	3.9
135.11673	20.8
137.05969	17.5
137.09589	38.3
137.13260	8.5
139.11154	6.3
143.08585	5.1
145.10153	7.6
147.11676	11.2
149.09648	4.2
149.13210	17.3
151.03905	4.7
151.07536	5.0
151.11165	7.2
159.11690	6.4
161.05980	8.3
161.13271	9.5
163.07574	4.6
163.11182	5.0
163.14816	14.9
165.12781	4.0
167.05551	4.5
167.07063	5.6
173.13367	5.8
175.07516	3.2
175.14725	3.5
177.05409	4.0
177.12721	3.0
177.16272	3.4
179.07014	3.9
179.14252	5.8
186.17735	3.4
187.14804	5.7
189.16328	5.6
191.14337	4.8
193.15776	7.5
207.17467	5.9
210.44481	3.6
237.18507	8.1
237.21924	4.0
237.43715	3.5
238.18834	10.9
269.22464	4.6
277.25082	4.6
287.23624	16.4
293.24722	52.4
305.24713	100.0
323.25775	36.1
382.01523	3.3
477.15369	4.4
521.30798	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01860	8.0
55.05502	23.6
57.03432	5.8
57.07074	9.2
59.40760	2.3
61.02910	2.2
65.03942	3.1
66.09132	1.9
67.05166	3.1
67.05499	45.7
68.99792	4.8
69.03422	55.6
69.07065	41.6
70.76649	4.4
70.76991	3.1
71.01402	2.4
71.04990	9.4
71.08616	4.5
73.02910	3.6
73.06491	2.2
77.03907	2.1
79.05487	33.9
81.03410	39.5
81.07050	95.5
83.04986	12.2
83.08614	16.7
85.02900	27.4
85.06551	3.4
85.10162	3.1
87.00829	14.5
87.77996	2.1
91.05473	31.0
93.07039	64.3
93.07625	3.6
95.04964	29.4
95.08600	100.0
97.02896	25.1
97.06521	7.4
97.10171	8.7
99.04455	8.1
103.05475	3.4
105.01839	5.6
105.04557	2.0
105.07021	49.4
107.04953	7.7
107.07870	3.5
107.08587	70.1
109.02876	23.8
109.06531	14.1
109.10147	58.8
111.04432	15.4
111.08080	9.1
111.11736	3.1
112.26835	1.9
115.03927	7.9
117.06998	10.1
117.82862	2.1
119.08565	47.9
121.06497	12.1
121.10133	48.3
123.04447	6.9
123.08054	14.0
123.11687	26.8
125.05983	4.2
125.09628	3.1
127.03915	21.5
127.07542	2.0
128.06226	2.8
129.05498	3.3
129.06998	5.4
131.08545	21.5
133.06543	2.4
133.10118	43.5
135.04413	2.0
135.08047	11.9
135.11684	38.8
137.05986	6.1
137.09625	16.6
137.13246	6.9
138.50989	1.8
139.07532	2.1
139.11166	3.1
142.07751	2.3
143.08568	12.8
145.04955	2.6
145.06485	4.7
145.10104	23.7
147.02904	2.3
147.08043	10.1
147.11668	32.6
149.05930	1.8
149.09596	5.9
149.13257	33.9
151.11186	5.9
151.14801	2.8
155.08554	5.0
157.10127	8.7
159.02888	5.4
159.08060	7.5
159.11662	21.7
161.09589	10.8
161.13217	20.3
163.07533	3.2
163.11179	5.3
163.14818	12.9
165.09091	3.7
165.12851	2.4
167.10664	2.3
169.10100	4.7
171.02815	2.0
171.11676	4.8
173.09625	3.1
173.13324	12.3
173.14592	3.0
175.07458	2.1
175.11150	5.3
175.14832	9.5
177.09044	4.5
177.12776	5.7
177.16396	5.5
179.10605	4.9
179.17979	2.2
185.13286	5.6
187.11198	2.2
187.14799	6.5
189.12770	4.5
189.16368	10.2
191.17963	2.8
197.13312	2.9
199.14813	4.9
201.16382	6.4
203.17935	4.2
205.15799	3.9
211.14944	3.3
213.03983	4.6
213.16402	5.2
215.17978	7.6
217.19513	5.7
219.13730	2.1
219.17342	3.5
222.76358	2.0
229.15886	2.1
229.19304	3.0
231.04962	5.4
241.19633	2.4
243.10782	2.5
257.22742	2.5
259.24118	3.5
271.24146	7.4
273.25687	6.6
283.24072	2.6
285.25717	5.4
289.25189	2.2
291.26675	2.9
295.24332	3.1
301.25229	3.7
303.26730	4.7
309.25510	2.5
313.25165	4.3
315.26727	4.1
327.26901	2.5
331.26266	8.7
353.28525	3.0
355.26343	3.3
357.27774	3.2
363.26776	5.8
371.29584	4.8
381.27820	23.0
387.29099	2.5
399.28888	38.8
417.29874	20.1
435.26468	2.5
435.31549	3.0
467.27991	2.9
475.30557	4.2
477.31778	3.8
485.29144	12.4
503.29898	30.9
521.31079	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.5
53.77108	1.2
54.14710	1.5
55.01873	9.9
55.05264	1.4
55.05511	22.3
57.03429	5.3
57.07071	8.6
61.02913	2.5
65.03928	4.6
67.05502	44.9
68.32513	1.1
68.99782	4.6
69.03078	2.5
69.03429	43.8
69.07065	45.2
71.01348	2.8
71.04987	8.7
71.08624	3.1
73.02919	2.4
79.05048	2.0
79.05491	30.1
81.02968	2.4
81.03417	30.4
81.07055	100.0
83.04984	11.0
83.08623	16.6
85.02425	1.6
85.02901	21.4
85.06514	3.6
87.00829	10.8
87.04464	2.3
91.05463	26.9
93.06458	2.7
93.07042	54.3
95.04963	21.6
95.08604	90.3
97.02274	2.0
97.02885	19.3
97.06536	7.4
97.10167	10.2
99.04443	10.0
99.08078	2.1
103.03991	1.7
103.05466	2.8
105.01844	3.8
105.07026	41.5
107.04943	9.3
107.08595	51.3
109.02866	16.1
109.06501	12.3
109.10155	59.8
109.10912	2.8
111.04431	10.7
111.08051	3.5
111.11712	5.9
113.02354	2.3
113.05968	1.8
115.03928	3.9
115.05431	3.5
117.07015	9.0
119.04943	1.6
119.08577	37.0
121.06486	7.5
121.09306	2.6
121.10139	35.0
122.10491	1.3
123.04414	10.8
123.08074	6.1
123.11710	29.1
125.02377	1.3
125.05947	4.0
125.09646	3.3
125.13274	1.5
127.03919	16.6
129.01817	3.0
129.06975	3.3
130.07758	1.9
131.04898	1.8
131.08563	14.6
133.06474	4.7
133.10130	27.4
135.04405	1.4
135.08061	8.3
135.11687	29.3
137.05971	7.1
137.09605	5.4
137.13240	15.4
139.03867	1.7
139.07518	2.5
139.11183	1.6
141.05402	1.6
142.07803	1.4
143.08556	10.7
144.09274	1.2
145.04942	2.1
145.06487	4.9
145.10127	20.9
147.04445	1.5
147.08051	6.8
147.11687	22.0
149.05949	2.7
149.09663	6.7
149.12183	1.5
149.13266	22.8
151.07536	3.3
151.11119	3.5
151.14819	2.7
153.12694	1.8
155.08505	5.7
157.10101	10.3
159.02885	4.5
159.08055	5.8
159.11685	17.6
161.05916	1.8
161.09621	5.5
161.13246	15.4
163.07498	3.3
163.11198	4.1
163.14835	8.7
165.09076	3.3
165.12704	1.8
165.16408	1.4
167.08499	1.4
169.10107	4.8
171.02919	1.4
171.08000	1.8
171.11671	7.6
173.09628	4.7
173.13280	10.6
175.07619	2.0
175.11154	3.1
175.14848	6.4
177.05267	1.2
177.09100	2.9
177.16367	5.7
179.08487	1.7
179.14394	1.5
181.10118	2.8
183.11719	4.1
185.09641	3.3
185.13257	4.1
187.11153	3.8
187.14818	5.4
189.03961	1.6
189.12711	4.2
189.16354	5.4
191.18027	2.5
195.11682	2.8
196.76263	1.2
197.13329	3.7
199.11279	2.8
199.14830	3.5
201.03972	2.0
201.12744	3.3
201.16396	3.8
203.17970	5.4
205.15840	1.8
205.19511	1.2
209.13298	1.5
211.11200	1.9
211.14856	2.8
213.03853	6.8
213.12737	1.5
213.16425	3.2
215.14479	1.3
215.17908	2.3
217.19504	3.6
219.13632	1.5
221.19150	1.2
223.14723	1.5
225.16254	1.4
227.17970	2.1
229.15877	1.7
229.19493	1.4
231.05031	7.6
231.21121	1.6
233.15247	1.4
241.19495	1.5
253.21756	1.4
257.22546	1.6
259.24191	2.9
271.24170	3.2
273.25867	2.9
285.10019	1.5
285.25821	2.2
289.25256	2.7
301.25143	3.1
303.26776	3.4
305.24799	2.4
313.25204	3.6
315.26920	2.0
319.26419	1.7
325.25055	1.8
327.26947	2.2
329.24899	1.7
331.26367	6.0
339.26956	1.5
345.27753	2.0
353.28394	4.9
355.14334	1.3
357.27747	2.7
363.26740	2.0
369.27979	2.3
371.29453	3.5
381.27902	14.0
399.28958	24.7
417.29965	13.3
435.31097	1.6
441.30054	2.1
465.81186	1.4
475.30139	1.9
485.29053	10.3
503.29910	25.7
521.31201	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23973	1.2
53.03933	4.5
54.28097	1.1
55.01870	8.3
55.05509	21.2
57.03427	5.1
57.07072	11.0
61.02932	1.8
65.03936	4.4
65.34158	1.5
66.09702	1.2
66.52979	1.2
67.05503	40.8
68.99782	3.4
69.03426	36.2
69.07064	41.2
69.37985	8.8
69.38407	5.2
71.04996	6.9
71.08625	2.9
73.02906	3.3
79.05486	25.6
81.03412	29.4
81.07053	93.4
82.07346	1.4
83.04963	8.4
83.08612	14.5
85.02901	20.0
85.06526	3.5
87.00821	11.6
87.04514	1.7
90.58959	1.3
91.05470	23.4
93.07040	49.0
95.04961	23.8
95.08602	100.0
97.02885	18.5
97.06528	5.9
97.10157	9.8
98.21504	2.5
99.04467	7.6
103.03983	1.7
103.05475	2.7
105.01859	3.0
105.07025	35.1
105.11145	1.3
107.04942	10.7
107.08586	44.3
109.02877	18.6
109.06523	10.9
109.10148	62.5
111.04434	14.6
111.08063	3.2
111.11705	5.9
113.02387	1.6
115.03914	3.9
115.05435	1.3
117.07024	8.4
119.04923	1.8
119.08573	34.2
121.06504	11.0
121.10132	33.7
123.04406	10.6
123.08053	7.7
123.11699	30.1
125.02383	1.5
125.05978	4.2
125.09646	3.0
125.13288	1.5
127.03905	15.5
128.06215	3.3
129.01849	2.6
129.05511	2.5
129.06989	5.1
131.08566	16.1
133.06500	3.5
133.10120	24.2
135.08067	6.7
135.11691	30.8
137.05974	8.3
137.09601	4.2
137.13234	13.5
137.71170	1.4
139.03896	2.0
141.05441	2.2
141.07054	1.5
142.07764	2.2
143.08536	7.4
145.06491	4.7
145.10110	19.8
147.08037	6.2
147.11673	19.4
149.09624	5.8
149.13257	23.0
151.07530	2.8
151.11147	3.0
151.14841	2.9
153.12701	2.0
155.08583	4.4
155.10674	1.6
157.10132	8.2
159.02896	2.9
159.08067	5.4
159.11691	17.8
161.05956	1.7
161.09599	6.5
161.13258	13.6
163.07567	3.3
163.11166	3.1
163.14813	13.1
165.09146	3.0
165.12700	1.6
169.10201	6.6
171.11652	7.9
173.09657	5.2
173.13298	11.7
175.07545	1.8
175.11153	3.8
175.14841	7.5
177.12759	2.9
177.16406	7.4
179.14291	1.9
183.11685	2.2
185.09529	2.2
185.13222	3.4
187.11197	4.5
187.14827	5.7
189.09032	1.7
189.12782	3.3
189.16394	5.0
191.10638	1.8
191.14427	2.2
191.17934	3.3
195.11702	2.4
197.04535	1.7
197.13280	3.8
199.11171	2.6
199.14807	6.1
201.12776	2.8
201.16362	3.5
203.14363	2.9
203.17909	3.1
211.14932	3.0
213.03923	2.9
213.12738	2.3
213.16338	3.3
215.14351	1.8
215.17958	2.7
217.19449	1.7
229.15895	2.6
231.04993	6.2
237.18594	3.1
238.18900	3.9
243.17552	1.5
256.19965	1.8
257.22659	2.3
259.24243	3.4
267.08621	1.5
271.24130	4.0
273.25876	2.1
285.25424	1.8
287.23630	1.8
289.25247	4.4
297.25760	1.7
301.25342	3.0
303.26801	5.9
305.24734	5.8
313.25089	3.0
315.26721	2.3
319.26346	2.2
323.25842	3.8
327.26938	1.9
331.26288	4.7
339.26846	2.0
345.27667	1.6
348.70944	1.6
353.28244	2.8
355.26334	1.7
357.27658	1.8
363.26834	3.9
369.28043	3.1
371.29575	3.1
381.27786	14.4
387.28763	2.7
389.30402	1.9
399.28995	27.5
417.30020	13.0
485.28900	10.7
503.30029	18.2
521.31030	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	521.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29431	1.3
53.03936	2.2
55.01862	4.6
55.05500	4.2
56.09309	1.2
57.03431	42.2
61.02929	8.5
64.98277	1.6
67.05504	6.9
69.03421	9.5
69.07063	7.5
69.61598	10.7
71.01350	15.0
71.04973	4.8
73.02908	15.0
73.86958	1.5
75.04464	3.7
79.05471	6.5
81.03397	2.5
81.07047	15.4
83.01325	1.5
83.04974	10.3
84.08173	2.0
85.02423	2.7
85.02899	43.0
85.06512	4.1
87.04443	1.5
90.56776	1.3
91.05461	6.0
93.07044	15.2
95.01311	3.9
95.04939	6.5
95.08591	6.4
95.48264	1.4
97.02888	23.0
97.06512	6.2
99.00806	5.0
99.04446	16.0
101.02347	4.6
103.03900	7.4
105.07030	10.0
107.04970	2.1
107.08586	9.5
109.02852	2.0
109.06487	5.1
109.10120	4.4
111.08067	17.1
113.02340	19.4
117.05486	100.0
119.08577	5.1
121.06483	3.8
121.10124	4.1
123.04420	2.2
123.08037	1.9
123.11720	8.5
125.05988	4.2
126.09182	1.9
129.05479	1.9
131.03415	13.1
131.04893	1.8
131.08502	1.9
133.06406	1.7
133.10126	6.2
135.08022	2.7
137.05937	6.4
139.03955	2.0
141.01820	20.2
141.05438	2.1
143.06982	2.2
145.04935	9.7
145.10074	1.9
146.05969	4.3
147.11665	10.8
149.09474	1.7
151.11154	4.9
157.10109	1.8
159.02890	5.7
159.06508	34.4
159.11684	1.8
160.93385	1.3
163.07455	2.5
165.12737	3.0
167.07175	1.4
169.04884	2.7
169.12218	19.4
171.06508	2.0
173.04407	1.9
175.11169	5.9
181.04962	1.9
187.05992	2.3
189.09059	1.5
193.12204	6.2
197.04376	3.1
201.07512	7.1
207.13741	1.7
211.13319	15.0
214.04944	4.6
215.05432	11.4
217.12187	4.9
229.07111	2.4
229.14340	5.4
230.04396	1.6
233.06427	3.4
235.13255	3.5
253.14299	6.0
257.06534	6.2
270.03928	3.4
271.06000	3.1
272.06192	3.2
273.06680	3.5
275.07608	6.4
293.08621	65.4
312.04871	3.4
313.11914	1.6
327.17908	3.3
330.06055	4.6
348.07080	7.2
362.08548	8.3
380.09604	3.4
489.14911	3.5
503.21082	5.8
521.17682	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87287	0.1
52.11480	0.1
55.05502	0.2
56.03524	0.1
56.05032	0.4
57.03434	0.1
58.06311	0.1
58.06630	0.5
59.00998	0.1
59.07413	0.2
60.08160	5.9
61.57430	0.1
63.46780	0.1
64.71816	0.1
67.05500	0.5
69.07061	0.3
70.06618	0.1
70.64524	0.1
70.64913	0.1
71.07365	2.8
79.05479	0.1
81.07050	0.5
83.08598	0.2
86.09698	30.2
87.10049	0.1
93.07018	0.1
95.08602	0.4
98.98454	2.8
104.10026	0.2
104.10732	2.8
107.08575	0.1
109.10142	0.2
119.08566	0.1
121.10168	0.1
121.84683	0.1
123.11717	0.1
124.99993	20.4
133.10072	0.1
143.01106	0.3
166.02621	0.1
167.05586	0.1
184.07324	100.0
185.07675	0.2
258.11063	0.2
284.95590	0.1
337.27411	0.2
485.32938	0.1
502.32867	1.0
520.33936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.43103	0.2
51.40798	0.2
55.05507	1.1
56.05030	1.4
57.03441	0.5
58.06580	1.7
59.07387	0.3
60.08159	16.7
65.03940	0.2
65.90414	0.2
67.05509	3.5
69.07063	1.5
70.00150	1.4
70.06613	0.2
71.07370	5.7
79.05481	0.7
81.07052	3.5
81.54062	0.2
83.08583	0.4
85.85747	0.2
86.09700	54.8
91.05474	0.4
93.07035	0.9
95.08593	2.4
97.06503	0.3
98.98465	3.8
104.10738	100.0
105.07002	0.3
105.11063	0.2
107.08573	0.6
109.10131	0.8
116.81963	0.2
119.08577	0.5
121.10129	0.5
123.11729	0.5
124.99998	27.7
133.10103	0.3
143.01001	0.4
162.13846	0.2
163.01549	0.7
166.02635	0.3
168.94968	0.2
184.07329	96.4
185.07672	0.3
249.22142	0.3
258.11017	1.1
337.27359	0.9
443.25732	0.3
453.27591	0.2
502.32938	8.9
520.33978	39.0
521.34613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55432	0.8
53.03938	1.8
55.01865	1.5
55.05511	7.3
55.30006	0.7
57.03431	1.4
57.07055	2.8
57.50375	0.8
59.04990	2.0
61.02914	0.8
61.65943	0.7
67.05502	9.1
69.03419	8.3
69.07059	9.5
70.06578	5.2
70.20387	3.1
71.04987	32.5
73.02918	1.0
73.06561	4.8
77.67728	0.9
79.05495	10.2
79.68023	0.9
81.03409	3.8
81.07053	29.6
83.04975	2.2
83.08614	5.6
85.02902	11.8
85.06541	2.5
87.00830	4.6
91.05470	13.5
93.07037	30.4
95.04961	3.8
95.08598	36.8
96.08968	0.8
97.02888	4.7
97.06540	3.8
97.10166	2.2
99.04436	1.5
99.08099	5.1
105.01850	6.7
105.07026	38.5
107.07858	1.5
107.08588	27.4
109.02854	4.0
109.06509	2.7
109.10149	17.3
110.09673	1.5
111.08060	1.1
115.03974	1.0
117.07014	2.9
119.08578	10.8
120.23289	0.7
121.06451	1.1
121.10137	18.9
123.08070	1.6
123.11694	7.4
125.09621	27.4
127.03914	6.9
127.07561	2.5
127.11177	6.0
129.09209	0.8
131.08545	8.1
133.10121	64.1
135.11707	2.9
137.05977	1.4
137.09570	1.3
139.11163	1.1
143.10658	43.6
145.04945	2.2
145.10120	11.9
145.79164	0.8
147.11687	17.4
149.13248	30.5
151.11186	2.9
157.10080	1.0
159.02893	1.2
159.11665	9.3
161.13260	6.8
165.12767	1.7
167.14307	100.0
169.12238	3.0
173.13260	1.8
177.05478	3.7
177.12712	1.0
179.14333	1.1
180.17435	1.7
191.17914	0.9
201.16365	12.8
203.17943	3.6
208.16946	5.4
217.15579	0.7
219.05052	1.0
219.17430	57.6
221.19052	1.6
226.18005	29.8
231.05052	2.2
231.17540	1.0
237.18474	8.9
243.17451	1.5
249.06020	1.8
261.18384	0.9
307.11554	0.9
326.16360	0.8
327.18381	0.9
356.40100	0.8
391.16284	1.5
397.18765	1.8
449.21802	1.3
485.23611	1.8
520.19580	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	520.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05507	5.8
56.42842	0.8
57.03434	6.5
57.62243	1.0
60.08154	4.4
62.07456	1.0
63.70602	1.0
65.03927	1.4
67.05502	25.6
69.07067	6.6
70.77010	2.7
71.05007	1.2
71.07352	1.0
72.22117	0.9
79.05489	13.0
79.99426	1.0
81.07056	25.7
83.08622	2.6
86.09698	19.7
87.09523	0.8
87.10036	4.7
88.03983	5.8
91.05435	7.0
93.07039	16.3
95.04957	1.8
95.08041	1.6
95.08605	18.5
97.06518	1.2
97.10162	0.9
98.61060	0.9
98.98454	6.7
104.10741	2.7
105.07014	4.8
106.05006	1.0
107.08597	8.4
109.10153	6.5
119.08556	3.6
121.10146	6.6
123.11696	2.2
125.00001	11.6
126.00313	2.2
127.00426	2.9
131.08585	2.9
133.10136	3.1
135.11699	4.4
145.10138	1.5
147.11719	1.1
149.13304	1.6
151.70981	1.0
158.35333	0.9
159.11668	1.8
161.13181	1.1
163.14825	1.2
173.02066	1.2
181.06828	0.9
183.76378	1.1
184.07332	44.7
185.07703	20.8
186.07761	13.9
207.13731	1.1
261.22235	1.2
335.25793	100.0
336.26254	1.4
348.25330	1.1
485.32718	1.2
502.32303	1.4
520.33124	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.04588	0.5
55.01885	1.3
55.05506	8.1
57.07071	0.5
58.06585	1.7
67.05515	3.0
68.99789	1.1
69.03419	3.4
69.07063	3.5
70.06590	100.0
71.04990	2.9
71.11142	1.3
73.06551	1.4
77.03918	0.6
79.05485	4.1
81.03427	2.1
81.07052	8.0
83.04974	1.9
83.08629	1.0
83.52174	0.5
85.02909	6.0
85.06580	0.8
87.00826	1.4
91.05460	4.5
93.07035	12.2
93.16998	0.5
95.04977	2.0
95.08604	9.4
97.02887	2.5
97.06521	1.2
97.10143	0.7
99.04472	1.0
99.08082	0.9
103.05483	1.2
105.01874	2.8
105.07030	12.5
107.04955	3.4
107.08588	10.2
108.05813	0.5
109.02908	1.7
109.06523	1.9
109.10143	6.2
111.08123	1.7
117.07014	1.8
119.08582	8.0
121.06497	3.6
121.10138	25.0
123.08062	1.9
123.11719	1.7
125.09613	3.0
127.03921	4.6
127.11185	0.7
129.07027	0.6
130.07750	0.6
131.04944	0.9
131.08556	4.7
133.10120	10.5
135.04414	2.4
135.08067	0.8
135.11687	6.6
137.05978	0.8
137.09657	0.8
137.13284	0.6
143.08560	1.1
143.10652	3.7
144.09421	0.5
145.05003	1.2
145.10123	12.0
147.11671	6.9
149.05969	7.0
149.09666	0.9
149.13284	1.8
151.11211	1.4
157.06570	0.6
157.10139	1.0
159.02930	1.0
159.04247	0.7
159.11685	7.9
161.13239	4.1
163.11163	5.0
163.14816	0.8
165.05475	1.1
167.08630	1.5
167.14304	3.2
171.11696	0.7
173.05905	0.9
173.13269	2.3
175.07556	2.3
175.14807	2.6
177.05467	60.2
177.12683	3.1
177.16388	0.7
179.07039	0.9
185.05875	0.5
188.07097	0.6
191.14296	0.6
191.17993	3.3
195.08028	3.5
201.05585	0.8
201.16380	13.0
203.07176	0.6
205.04924	0.8
213.05527	0.6
213.09152	1.1
219.17430	14.1
223.07512	1.7
231.05013	1.1
234.11226	8.5
237.18549	2.2
241.08662	1.2
241.94554	0.6
249.06116	1.3
259.09729	1.5
269.08157	1.4
283.36279	0.6
284.06705	0.7
287.09155	14.9
296.86810	0.6
338.11081	0.8
358.13831	0.7
445.12607	1.1
451.13358	0.5
463.13937	5.4
482.25146	0.5
508.81305	0.6
520.19684	58.7
521.19904	1.6
525.67273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03904	1.4
55.01859	1.5
57.03440	1.9
60.86384	1.2
61.02916	3.7
62.75285	1.3
67.61520	1.3
69.03424	6.7
70.93558	2.9
70.93897	1.9
73.02911	1.5
81.03418	3.4
85.02905	28.4
91.03941	1.9
91.05838	6.6
97.02895	9.7
99.04465	1.3
99.83924	1.5
107.04945	1.5
107.46560	1.5
109.02882	3.2
110.65849	1.3
111.04489	1.5
127.03915	6.5
131.04903	4.9
135.04457	3.1
137.02351	5.7
139.03839	2.0
145.04915	6.7
147.04424	1.7
149.05949	2.6
155.50804	1.4
159.04453	5.1
161.02354	4.3
161.05997	3.8
163.03911	16.4
167.05536	5.4
168.05486	1.5
169.06537	1.6
175.03926	2.9
177.05464	15.5
179.85637	1.3
185.05927	1.9
187.03889	2.8
189.05457	7.3
193.04950	1.7
197.05994	3.1
199.03889	2.0
201.05403	4.6
203.03334	4.8
205.04979	52.6
205.06932	2.5
207.02841	5.4
213.05505	4.2
215.07065	2.7
217.04993	12.1
229.04912	4.7
243.06564	3.1
245.04376	2.4
259.06042	5.8
277.07056	4.5
287.05511	2.5
295.08105	4.0
299.06110	4.1
300.06097	6.6
305.06686	2.2
323.07617	100.0
341.08752	7.8
345.97565	1.5
358.11301	1.8
388.46667	1.3
407.72519	1.9
472.17966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01865	2.6
55.05508	10.1
56.96561	1.3
57.03410	3.5
57.07055	4.2
59.05000	2.2
61.02927	1.8
67.05175	1.9
67.05505	25.1
69.03422	15.3
69.07065	18.0
71.04990	5.8
71.58589	1.9
73.02901	2.9
73.04731	1.0
79.05483	12.4
81.03399	4.6
81.07056	63.9
83.04976	5.2
83.08597	4.1
85.02901	20.7
85.06535	12.1
87.00825	1.6
89.21045	1.3
91.05421	14.2
93.06471	1.7
93.07041	29.9
95.04959	10.9
95.08601	42.8
97.02892	10.2
97.06529	4.2
97.10132	4.5
98.03255	1.2
99.04451	3.0
99.08072	4.1
101.06020	1.3
103.05440	2.6
105.07032	20.6
107.04927	3.6
107.08589	29.4
109.02861	4.9
109.06513	6.9
109.10149	33.7
111.04420	3.4
111.08056	3.8
111.11706	2.3
113.06010	2.9
113.09652	1.2
115.03908	1.6
115.05477	2.0
116.98586	1.2
117.05460	1.0
117.07018	4.0
119.04913	2.1
119.07800	1.5
119.08581	20.1
121.06477	4.1
121.10145	26.7
123.04414	3.9
123.08050	4.6
123.10800	2.0
123.11703	28.7
125.05988	2.2
125.09606	3.3
127.03884	6.3
129.06963	2.7
131.04935	1.3
131.08565	10.1
133.09225	0.7
133.10126	21.8
135.08044	3.6
135.11687	19.3
137.05977	16.6
137.09610	25.0
137.13229	5.6
139.07542	1.3
139.11198	7.4
141.07001	1.4
143.08549	2.7
145.04947	3.9
145.06346	1.5
145.10106	8.2
147.04427	2.1
147.08055	5.4
147.11691	15.5
149.05899	1.2
149.09674	5.4
149.13271	9.4
151.03909	1.7
151.07486	2.8
151.11157	3.4
153.05338	1.4
153.09076	1.5
153.12669	1.3
155.10655	1.4
157.08643	2.1
157.10126	3.8
159.07990	1.9
159.11673	7.5
161.05991	5.6
161.09630	12.4
161.13246	6.2
163.07472	2.1
163.11140	4.1
163.14803	2.2
165.09094	16.3
165.12766	3.4
167.05533	4.5
167.07027	8.0
167.08321	1.6
167.10657	4.4
173.09610	2.2
173.13216	4.5
175.07506	3.9
175.11154	7.6
175.14822	7.3
177.05490	2.7
177.12784	2.7
177.16368	3.2
179.07074	2.4
179.10669	5.0
181.12189	1.9
183.10057	2.4
183.11571	1.1
187.07500	2.0
187.14789	2.7
188.04678	1.2
189.09100	1.5
189.16364	3.1
191.07025	2.4
191.10533	1.5
191.14212	2.2
193.12184	6.0
193.15852	1.8
195.08141	1.4
195.13737	1.7
197.13297	2.1
199.14835	2.1
201.16327	2.7
203.07025	5.1
205.08621	1.5
207.06500	1.4
207.13847	1.8
207.17393	2.3
209.15395	2.4
217.15926	2.7
217.19470	1.2
219.17438	2.8
225.18495	1.2
229.15842	1.8
233.15450	1.2
234.98863	1.2
235.16870	2.8
236.17123	1.3
239.28632	1.1
240.07663	1.3
243.21028	4.2
247.16878	2.7
251.06924	2.6
253.17888	1.4
255.10034	1.4
257.22543	3.5
261.22156	2.0
265.08514	1.7
267.21085	2.6
271.05978	3.6
277.25177	2.5
279.10123	1.3
281.92697	1.3
283.06223	2.1
283.09689	2.5
285.22180	7.0
293.08331	1.5
295.09604	1.9
295.26337	2.6
297.11288	2.1
299.06174	5.8
303.23178	22.4
315.12271	2.3
321.24237	35.6
325.10690	3.0
327.12198	1.7
339.11954	2.5
339.25284	100.0
340.25461	3.0
344.97562	2.1
357.13464	7.8
357.26300	24.5
455.13071	1.3
519.19299	6.0
519.29224	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1132
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
50.74557	0.4
53.03909	0.8
54.05833	0.4
57.03369	0.4
61.02905	0.5
65.03909	0.6
67.05471	0.9
68.99771	0.8
69.03389	1.7
69.07038	0.7
71.59783	0.8
73.02895	1.0
79.01812	1.3
79.05483	0.5
81.03400	2.2
81.03779	0.4
81.07015	1.4
81.38844	0.4
83.04932	0.8
85.02888	4.4
87.00798	0.7
87.04411	0.7
89.06002	2.8
91.05415	0.8
93.06986	1.5
95.04910	0.6
95.08569	0.7
97.02856	1.3
97.06475	0.6
103.03899	1.6
105.07005	0.7
107.04926	0.7
107.08575	0.9
109.02847	1.7
109.06482	0.5
109.10108	0.9
113.05986	0.5
116.70713	0.4
119.04930	2.8
119.08568	0.6
121.02854	11.9
121.10093	1.6
123.08035	0.4
125.02299	0.5
127.03844	0.9
129.01772	1.1
129.06958	0.6
130.99693	0.4
133.08568	1.3
135.11636	0.6
137.05975	2.1
137.09546	0.4
141.01762	0.7
145.02829	1.7
147.02837	0.5
147.04355	0.7
147.11594	0.5
149.04526	0.5
149.06013	0.7
151.07501	0.5
153.05385	0.5
161.05968	1.0
163.03853	1.4
165.01822	6.3
165.12784	0.4
167.03362	1.0
167.06937	0.5
171.02881	0.9
175.07458	0.5
177.01767	1.4
177.05441	1.0
177.11221	0.5
179.03285	0.7
182.07274	0.5
183.02898	5.0
184.37767	0.4
187.03944	0.6
189.01819	0.7
189.05370	0.5
191.03389	0.8
195.02866	1.9
197.05969	0.6
203.06940	0.8
207.02823	0.5
207.15775	0.7
211.07520	0.6
213.05449	2.4
215.03346	0.6
217.04945	1.5
221.00952	0.5
227.06976	1.2
228.07809	0.9
241.04951	0.7
242.05602	0.7
243.02872	1.2
243.06525	1.9
253.04991	0.5
255.06509	3.5
256.07275	6.7
259.06073	1.4
261.03961	1.4
263.06854	0.4
267.06558	2.4
268.07123	0.7
270.05164	1.2
271.05966	10.2
281.07996	0.9
283.05978	58.9
284.06750	30.0
284.10007	0.9
285.07541	2.2
295.05972	30.3
296.06384	0.5
297.04471	0.5
297.07547	14.4
297.10742	0.5
298.04797	0.6
299.05933	1.0
305.07974	1.0
307.05957	1.9
308.06805	2.0
309.04092	0.6
309.07529	4.6
311.05551	2.9
313.07019	100.0
314.07501	1.5
316.05563	0.6
321.07773	0.7
321.11273	0.5
323.05441	1.6
323.09106	7.5
325.07071	4.2
327.08530	1.1
333.07486	2.8
335.05563	0.8
335.12488	0.5
337.07034	17.1
343.08093	4.8
349.06992	0.8
351.08676	2.8
355.08200	1.2
357.12778	0.6
361.06900	3.5
363.08667	1.0
364.18509	0.4
365.13834	0.7
367.08102	1.6
379.08060	10.2
397.09106	4.8
415.10233	2.8
433.11163	2.2
439.10233	9.1
457.11276	7.1
475.12399	4.3
483.09109	6.7
501.10223	15.8
519.11292	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	519.1129
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01873	0.2
60.61334	0.1
66.11565	0.1
67.65960	0.1
68.27946	0.1
68.99786	0.4
69.03417	0.3
71.47582	0.3
71.47919	0.1
71.82957	0.1
79.05470	0.2
81.03394	0.2
84.26658	0.1
85.02893	0.7
87.00818	0.1
91.05437	0.7
95.08569	0.2
97.02886	0.3
99.04430	0.1
105.01856	0.1
107.04951	0.2
109.02866	0.4
111.00806	0.2
113.60109	0.1
119.04922	0.5
119.08569	0.2
121.02878	0.2
126.54086	0.1
127.03901	0.5
131.04930	0.3
137.05946	0.3
141.06966	0.2
145.02820	1.1
145.06442	0.2
147.04343	0.2
147.08043	0.1
149.02342	2.1
153.01823	4.6
159.04358	0.7
159.07997	0.1
161.05972	0.2
165.01813	0.5
167.05489	0.1
167.06897	0.2
169.06485	0.9
173.05910	0.2
175.07513	0.2
183.02931	0.2
187.03957	0.2
187.07516	0.4
197.05925	0.8
203.07016	0.3
205.08449	0.2
213.05476	0.2
215.07005	4.5
225.05489	0.3
243.06526	2.9
253.04994	1.4
265.08722	0.2
271.05984	100.0
272.06314	1.2
299.06113	0.2
323.72562	0.1
357.13330	0.4
433.11255	0.4
491.19070	0.1
519.11340	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.8
57.03428	5.6
57.64846	5.2
60.08157	17.5
65.03924	6.4
67.05500	69.4
69.07059	15.4
70.27078	21.6
77.32966	4.9
79.05490	52.2
81.07046	72.1
83.08621	9.3
85.02900	8.2
86.09691	31.8
91.05479	17.6
93.07037	65.2
95.04947	6.4
95.08609	68.7
99.06422	5.5
104.10754	59.6
105.07055	29.0
106.53352	5.8
107.08588	53.7
109.10160	36.0
113.00054	8.3
117.07040	8.5
119.08588	31.0
121.10153	49.0
123.08092	8.9
123.11688	9.6
125.00007	23.9
125.09542	6.4
131.08557	24.9
133.10118	21.2
135.11696	31.8
137.86569	5.0
145.10104	21.1
147.11710	22.5
149.13266	24.3
156.94960	5.6
159.11713	17.9
161.13255	8.0
163.14851	7.6
167.05534	10.2
173.13242	12.6
178.20769	5.3
184.07343	88.9
187.14757	6.4
198.89799	5.7
201.16318	6.6
229.19539	35.3
247.20554	100.0
299.06088	16.1
321.24319	13.5
339.25378	30.3
347.89404	5.3
406.30289	17.7
470.17117	6.2
483.31741	5.9
518.31915	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	518.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04142	1.7
53.03948	1.7
55.05503	10.5
57.03428	5.3
57.07081	2.9
60.08163	3.8
61.02914	5.3
67.05499	63.6
69.07060	11.4
69.52277	11.4
69.52695	5.1
76.71876	1.9
79.05485	39.2
81.06570	3.9
81.07051	71.9
83.08620	6.6
85.02911	6.3
85.06548	3.1
86.09702	15.0
91.03950	2.7
91.05453	18.5
93.07037	51.2
95.04955	4.4
95.08600	70.1
97.02867	2.6
97.06504	3.5
97.10180	3.0
98.98468	2.0
99.08054	2.7
104.10763	2.7
105.07027	21.2
107.08588	45.3
109.06533	2.5
109.10149	37.1
111.08058	3.6
111.37538	2.5
117.07030	6.8
119.08563	14.6
121.10146	35.6
123.11684	13.9
125.00018	10.2
131.08566	15.8
133.10115	16.2
135.11688	32.4
137.13275	5.1
145.10100	21.7
147.11670	18.0
149.13246	24.0
151.11191	4.6
153.12700	2.2
159.11679	19.3
161.13255	5.5
163.14838	9.7
165.12794	2.5
173.13286	12.3
184.07332	57.0
187.14792	7.6
191.14417	2.0
201.16328	3.2
219.21017	5.7
229.19482	39.4
247.20567	100.0
248.20934	2.0
265.21698	5.4
321.24191	29.2
339.25320	38.1
372.42249	2.1
380.93262	2.1
483.30228	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01855	2.4
55.05497	1.6
57.03432	24.2
57.07066	2.1
61.02921	13.5
67.05492	1.9
69.03423	32.0
69.75192	4.0
69.75600	1.8
71.01350	2.0
71.04973	2.4
73.02910	49.9
77.03914	1.6
79.05485	20.5
81.03411	5.0
81.07041	2.5
83.04961	1.3
85.02898	70.3
85.06534	31.9
86.75868	0.9
87.04462	5.2
91.03951	4.3
91.05453	2.7
93.07024	2.6
95.04985	6.5
95.08595	1.9
97.02883	48.9
97.06524	2.5
99.04425	2.8
103.03944	1.1
105.03382	70.5
105.06989	2.1
107.04954	1.4
107.08588	2.0
109.02879	5.7
109.06489	1.7
111.04426	1.4
115.03919	32.2
116.36115	0.8
119.08554	1.7
121.10130	1.2
123.04417	100.0
123.08044	1.8
123.11801	1.0
125.05884	1.1
127.03907	23.1
133.04965	11.2
133.06499	1.3
133.10074	1.8
137.05981	4.8
141.05511	1.0
145.04944	39.3
147.07997	1.6
150.07605	3.0
151.03964	1.4
151.07512	1.9
153.42058	0.9
163.06010	17.5
163.07391	1.6
179.07083	1.1
181.08585	1.5
189.09097	40.4
193.04938	1.3
199.09607	2.7
206.15462	1.1
207.10246	1.5
211.09537	2.1
217.10689	1.4
217.15793	1.1
219.06488	1.7
222.40204	0.9
223.06050	3.3
224.16461	2.2
229.10695	6.3
229.17729	1.1
230.18626	0.9
241.07079	4.3
259.08109	3.0
277.27069	1.2
285.09671	9.8
295.09995	2.9
338.10983	2.4
518.18689	1.7
539.57574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27010	0.1
55.05490	0.2
56.05028	0.5
57.03432	0.2
58.06622	0.4
59.07125	0.1
59.07400	0.2
60.08161	5.9
65.03876	0.1
67.05503	0.5
69.07051	0.1
70.06570	0.1
70.51212	0.1
70.73834	0.2
70.74200	0.2
71.07372	2.5
79.05470	0.4
80.97436	0.1
81.07059	0.3
83.08620	0.1
86.09702	29.1
91.05462	0.1
93.07024	0.3
95.08591	0.3
98.98459	2.7
98.99115	0.1
104.10743	2.7
107.08610	0.1
109.10127	0.1
116.99469	0.1
121.10154	0.1
124.99998	19.0
143.01045	0.3
166.02744	0.1
184.07330	100.0
185.07674	0.5
200.97441	0.1
208.96814	0.1
258.11099	0.2
335.25806	0.2
481.81940	0.1
500.31357	1.4
518.32446	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05489	1.0
56.05027	1.5
58.06602	1.4
60.08159	16.2
63.46688	0.3
65.19726	0.3
67.05494	2.4
69.07061	0.9
69.84081	1.3
69.84493	0.8
71.07370	5.8
79.05478	1.9
81.07048	1.9
83.04947	0.3
83.27142	0.4
85.67809	0.4
86.09699	47.2
91.05463	0.7
93.07021	2.0
95.08617	1.9
98.98479	3.2
104.10737	100.0
105.07010	0.5
105.11068	0.4
107.08586	0.4
118.92506	0.4
121.10187	0.5
123.11707	0.4
124.99995	28.2
131.08533	0.4
135.11667	0.4
163.01674	0.5
184.07329	96.7
258.11078	1.0
289.63403	0.5
299.57751	0.4
335.25760	1.0
336.81415	0.4
402.47772	0.3
441.23953	0.5
460.64114	0.4
466.53775	0.3
500.31265	9.6
518.32391	41.4
519.32721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03935	2.1
55.05518	9.4
57.03432	2.9
57.07067	1.6
59.93986	0.9
61.54129	1.0
67.05164	1.6
67.05503	19.6
67.71878	1.1
69.07064	8.9
70.87515	1.3
70.87846	2.2
71.04984	1.4
79.05494	16.7
81.07056	26.3
83.08630	4.8
91.05468	12.8
93.07047	19.7
94.03032	1.0
95.04964	1.7
95.08610	19.1
97.06505	1.8
97.10175	2.9
100.73933	1.0
105.07030	15.5
107.08588	13.5
109.06506	1.6
109.10148	10.1
111.08083	1.6
117.07016	5.0
119.08583	14.8
121.10149	11.5
123.08054	1.8
123.11716	3.5
129.07019	2.2
131.08569	12.4
133.10126	11.2
135.11714	7.3
137.13280	1.3
143.08553	3.0
145.10121	13.2
147.11684	9.0
149.09586	1.0
149.13297	4.8
155.08585	1.9
157.10187	3.5
159.11670	7.2
161.13289	6.4
163.14882	1.6
169.10127	2.5
171.11734	4.9
173.13240	6.4
175.14862	3.5
177.16362	1.3
183.11705	2.0
183.54887	1.1
185.13274	3.4
187.14867	3.3
197.13301	1.1
199.14838	3.4
201.16348	2.7
209.13103	1.0
213.16472	1.9
241.17926	2.3
259.20642	2.8
273.22220	1.3
287.23621	1.6
293.74457	1.0
299.23734	1.4
313.25311	1.6
333.24368	1.8
405.30048	1.7
407.28131	1.8
407.33374	3.0
425.34009	8.8
440.54785	1.0
443.35178	3.5
499.37671	13.2
500.38309	1.2
517.38885	100.0
518.39160	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05509	9.9
57.03437	3.2
57.07051	1.8
60.23040	1.6
67.05499	25.0
69.07064	10.2
69.84326	8.0
69.84734	3.4
71.04979	1.8
76.04214	1.9
76.23862	1.8
79.05502	15.4
81.07057	31.1
83.08611	6.5
91.05499	12.6
93.07040	24.0
93.43230	1.7
95.04984	4.0
95.08597	24.0
97.10179	3.2
105.07037	22.5
107.08598	16.2
109.06515	1.7
109.10194	9.2
117.07033	6.1
119.08586	19.8
121.10139	11.7
123.11703	4.1
129.07018	3.1
131.08537	12.6
133.10129	14.8
135.11708	7.9
143.08534	2.5
145.10132	13.5
147.11707	11.5
149.13266	5.5
155.08496	2.7
157.10153	3.6
159.11676	8.9
161.13205	8.3
169.10182	2.3
171.11732	4.3
173.13261	6.3
175.14798	3.1
183.11700	4.1
185.13286	3.1
187.14828	6.1
193.16025	2.1
197.13245	2.9
199.14816	3.0
201.16382	1.9
213.16408	2.2
241.17934	2.6
259.20615	3.4
262.90692	1.8
407.33255	3.4
425.33978	8.7
443.35403	5.0
444.81268	1.9
499.37753	14.4
517.38892	100.0
518.39191	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03941	1.8
55.05507	9.2
57.03429	5.1
65.03933	2.1
67.05502	19.3
68.99039	1.8
69.07065	7.9
71.04993	3.4
71.60731	2.6
71.61121	2.7
79.05486	16.1
81.07056	31.1
81.24799	1.8
83.08629	6.8
85.06547	2.2
91.05469	15.0
93.07046	22.7
95.04934	3.6
95.08600	23.7
96.78889	1.8
97.10150	2.4
101.89899	1.8
105.07017	17.6
106.00494	1.9
107.08589	17.6
109.10145	10.0
117.07028	7.9
119.08575	18.6
121.10131	13.3
123.08049	2.4
123.11710	3.3
131.08569	11.1
133.10121	17.4
135.11684	9.7
141.07004	2.1
143.08572	4.2
145.10144	15.4
146.97606	1.8
147.11688	10.1
149.13284	3.6
155.08575	3.2
157.10117	4.8
159.11696	12.0
161.13268	5.7
163.14865	4.4
169.10107	3.1
171.11685	2.4
173.13235	5.4
175.14809	2.4
183.11603	2.2
185.13254	2.6
187.14789	3.7
197.48145	1.8
199.14915	2.2
259.20551	3.9
313.25812	2.0
318.24631	2.1
351.33099	2.2
355.70871	1.8
361.28076	2.4
407.32925	3.0
425.34354	10.1
443.35236	5.6
469.34155	2.1
499.37915	13.5
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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36524	4.0
54.27834	3.2
55.05503	25.0
57.03436	12.4
57.07070	10.6
65.03941	6.2
67.05504	70.3
69.03437	11.5
69.07078	29.9
69.32674	3.6
71.04991	5.3
71.08627	8.9
71.24298	12.3
73.02919	4.0
75.94847	3.7
79.05472	25.0
81.03429	6.5
81.07053	100.0
81.07518	7.5
83.08629	20.0
85.02908	7.7
85.06548	7.2
86.95935	4.1
91.05476	23.5
93.07039	38.7
95.05011	4.8
95.08601	78.2
97.02905	6.8
97.06531	9.5
97.10168	12.3
99.08092	5.3
105.07034	19.5
107.08581	29.4
109.06522	9.5
109.10162	34.3
111.11679	3.8
112.19646	3.5
113.00018	59.3
119.08578	28.0
121.06490	3.8
121.10152	22.5
123.08086	16.1
123.11717	17.9
129.07001	6.4
131.08572	9.7
133.10100	22.8
135.08073	8.6
135.11673	10.1
135.48456	4.4
137.13292	5.8
139.11174	4.3
145.10139	12.3
147.11662	14.6
147.67471	3.7
148.10361	4.4
149.09674	4.9
149.13272	13.4
151.14803	6.3
159.11691	9.0
161.13303	11.8
161.91492	3.9
163.14803	7.1
164.31584	3.8
165.16411	6.9
175.14877	13.5
177.12798	4.7
177.16379	5.2
179.14311	23.3
187.03659	10.7
189.16414	5.7
190.66318	4.3
245.22610	32.4
263.23709	43.0
289.21680	6.7
303.27094	5.2
331.26358	33.3
337.27335	38.1
359.17310	5.8
371.25781	5.3
387.28699	5.3
400.55472	4.3
405.30029	47.4
481.31650	5.6
499.32553	12.0
517.29779	7.1
530.00427	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03943	0.1
55.01864	1.8
55.05492	0.2
65.03949	0.2
68.99783	0.7
69.00125	0.2
69.03414	0.4
69.07043	0.5
69.40977	1.5
72.52681	0.2
72.73382	0.1
73.02890	0.1
79.01838	0.3
79.05466	0.3
81.03416	0.4
81.07032	0.5
83.04934	0.2
85.02858	0.3
89.06009	0.3
91.05434	0.2
92.48668	0.1
92.99761	0.2
95.04964	0.2
95.08588	0.3
97.02879	0.6
99.00803	0.2
107.04939	0.3
109.02869	0.2
109.10143	0.2
119.08539	0.2
121.10191	0.2
123.00790	0.2
133.08557	0.2
134.23643	0.1
135.04396	0.4
137.02319	1.2
137.05927	0.3
139.69933	0.2
141.01819	7.7
147.11542	0.2
155.03389	0.2
165.01826	32.6
166.02199	0.2
181.04956	0.2
183.02879	30.3
184.03133	0.1
197.05968	0.3
201.05379	0.3
205.70680	0.1
225.05435	0.1
227.03365	0.2
229.05002	0.4
253.04887	1.1
281.04437	19.1
299.05478	100.0
300.05927	0.8
313.10654	0.4
337.10547	0.3
355.11731	46.7
356.12112	0.5
386.62119	0.2
402.19385	0.2
517.17041	1.0
517.24414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1705
Annotation	Iicoisoflavone A 4'-O-glucoside
Peak:m/z	Relative Intensity
51.70334	0.2
54.14067	0.2
55.01849	0.2
55.05482	0.2
56.61255	0.2
61.02906	0.3
65.03918	0.3
65.78218	0.2
67.05480	0.8
68.99808	0.3
69.03422	1.0
69.07061	0.3
69.49059	1.7
70.06557	0.2
71.04989	0.2
73.02892	0.3
79.05475	0.4
81.03391	0.7
81.07034	0.7
85.02895	2.0
85.06522	0.2
87.04466	0.2
91.05472	0.9
93.07037	0.4
95.04955	0.3
95.08609	0.3
97.02882	0.6
97.06510	0.3
99.04421	0.3
103.05439	0.2
105.07008	0.7
107.04935	0.3
109.02884	0.4
109.06491	0.3
109.10156	0.3
115.05430	0.2
119.04931	0.3
119.08576	0.4
121.02869	1.0
121.10138	0.4
123.11652	0.2
127.03909	0.6
127.07732	0.2
131.04948	0.3
131.08533	0.2
133.10107	0.4
135.04388	0.3
137.05954	1.2
143.08617	0.2
145.02890	0.2
145.04976	0.6
145.06451	0.4
145.10123	0.3
147.04370	0.2
147.11662	0.3
157.06419	0.2
159.11746	0.3
161.05988	0.3
163.03915	0.2
163.11154	0.2
165.01833	0.4
167.03432	0.3
167.06958	0.2
171.04324	0.2
173.06010	0.3
175.07475	0.3
175.67650	0.2
177.01831	0.4
177.05453	0.3
179.10667	0.2
181.05116	0.2
183.02892	0.4
183.07999	0.3
189.01817	0.2
191.07074	0.3
197.06018	0.5
200.04887	0.3
201.05475	0.7
220.08829	0.3
223.00998	0.4
229.05000	0.3
231.08124	0.3
234.06818	0.3
239.07158	0.9
245.09688	0.5
248.08388	0.3
253.08575	0.4
255.06522	0.6
263.10660	0.6
267.06497	3.6
269.07999	1.3
271.06082	0.6
276.07901	0.5
277.05127	0.2
277.08496	0.3
279.06564	0.8
280.07159	0.3
281.08255	0.9
281.11230	0.2
283.05994	19.6
284.06281	0.4
291.10141	0.7
293.08157	0.4
294.05316	0.3
295.06006	5.3
295.09616	1.4
297.07742	0.3
299.05576	0.3
304.07297	0.3
305.08160	0.3
307.05875	1.9
308.06738	3.3
309.07510	1.9
309.11130	1.1
313.10788	0.9
319.09619	5.2
321.07510	1.4
322.08359	3.7
327.12131	0.3
337.10672	100.0
338.11032	0.8
355.11697	3.3
484.14529	0.2
499.15594	1.4
517.17145	0.7
517.23193	0.3
517.29474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1704
Annotation	Iicoisoflavone A 7-O-glucoside
Peak:m/z	Relative Intensity
50.63951	0.2
55.05508	0.3
57.03413	0.4
59.52041	0.2
67.05495	1.2
69.03423	1.4
69.07066	0.6
70.06586	0.4
70.20422	1.0
71.04984	0.5
72.08131	0.3
76.51215	0.2
79.05470	0.5
81.03407	0.6
81.07069	1.2
83.04986	0.4
85.02903	2.0
86.09673	0.7
90.10860	0.2
91.05473	1.0
93.07021	0.7
95.04936	0.5
95.08590	0.6
97.02873	1.0
97.06509	0.6
99.04474	0.4
103.05447	0.2
103.17271	0.2
105.07048	0.7
107.04935	0.6
107.08615	0.7
109.02888	0.5
109.06519	0.4
109.10159	0.5
115.05460	0.2
115.86359	0.3
119.04914	0.4
119.08573	0.6
119.78188	0.2
121.02866	1.2
121.10136	0.7
123.04416	0.4
123.11720	0.5
127.03928	0.5
129.06932	0.3
131.04958	0.4
131.08566	0.3
133.10124	0.6
135.04376	0.3
135.11647	0.3
137.05974	1.0
139.11169	2.4
141.01813	0.3
145.02812	0.6
145.04962	0.5
145.06450	0.5
145.10144	0.3
147.04417	0.6
147.11703	0.7
149.05998	0.4
149.09599	0.3
161.44908	0.2
163.03798	0.3
165.01820	0.9
175.07584	0.3
176.67380	0.2
177.01907	0.4
183.02856	0.7
187.07512	0.4
201.05479	0.8
205.06773	0.3
205.16016	0.2
207.06471	0.3
211.07445	0.3
220.08751	0.4
221.09544	0.2
229.04831	0.3
231.08203	0.3
239.07146	1.1
245.09677	0.4
247.07501	0.4
248.08160	0.3
251.07091	0.4
253.04912	0.3
255.06444	0.3
263.10718	0.7
265.08313	0.3
267.06476	3.3
268.07150	0.2
269.08157	1.1
271.05981	0.7
273.08914	0.3
276.07843	0.5
279.06384	0.5
280.07245	0.3
281.08063	1.1
283.05994	22.2
291.10135	0.9
293.08081	0.4
294.05243	0.3
295.06000	5.6
295.09610	1.8
297.07697	0.6
299.05533	0.9
307.05981	2.5
308.06766	3.4
309.07553	1.9
309.11282	0.9
313.10727	0.5
319.09656	4.8
319.22888	0.3
321.07562	2.0
322.04846	0.4
322.08347	5.0
337.10678	100.0
338.11084	1.0
355.11819	2.8
355.24475	0.4
499.16214	1.6
517.22949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
61.02923	2.1
64.81799	0.3
65.03912	1.4
68.99775	0.7
69.03396	1.1
69.34985	2.7
69.35401	0.8
73.02957	0.4
79.01825	0.4
81.03388	0.8
81.07023	0.4
83.04948	0.4
84.46705	0.3
85.02876	1.0
91.03928	0.5
91.05475	2.3
93.03360	1.0
95.04915	0.4
97.02903	1.6
103.05449	0.5
105.03361	0.4
106.86399	0.4
107.04942	3.1
109.02843	0.7
111.04419	1.3
115.05420	0.7
119.04928	9.4
121.02856	41.4
121.06455	0.9
129.07002	0.4
131.04909	1.1
135.04391	1.7
137.06032	0.4
139.03850	0.4
141.06973	0.4
143.04895	0.5
145.02840	6.1
145.06447	0.7
146.18129	0.3
147.04427	1.8
147.05432	0.3
149.05894	0.6
151.03844	0.4
155.04910	0.9
157.06429	0.6
159.04399	2.0
161.02312	1.1
161.05923	1.1
163.03909	1.9
165.01801	0.6
165.05414	0.4
165.07083	0.4
169.06476	0.4
171.04309	1.0
173.05943	1.2
175.03889	2.4
177.01764	1.9
177.05374	0.6
179.03345	1.5
181.06503	0.4
183.02841	0.4
183.04350	0.7
185.05925	1.3
187.03935	2.8
187.07648	0.4
189.01773	4.5
189.05356	1.6
190.02522	0.9
191.03378	2.9
193.04947	0.4
194.02057	0.6
195.02872	7.7
195.06477	0.4
197.05949	1.2
199.03893	2.2
201.01793	0.5
201.05435	2.3
202.02580	0.9
203.03372	20.8
205.04974	3.7
207.02876	6.7
207.06523	0.5
208.03650	0.7
209.04367	1.3
211.03897	1.1
213.01767	0.6
213.05392	2.0
215.03368	10.0
215.06818	0.8
216.04092	0.5
217.04945	6.8
219.02895	2.5
219.06511	0.9
220.03610	0.3
221.01051	0.5
221.04420	8.3
223.04088	0.4
223.05917	0.4
225.05640	1.7
227.03386	2.4
227.07048	0.4
229.01407	0.4
229.04976	3.6
231.02887	2.5
231.06464	1.1
233.04437	7.1
235.02260	0.5
235.05922	0.4
237.05591	0.5
239.03448	0.6
239.07066	0.5
241.04965	3.6
243.02881	4.0
243.06526	1.1
245.04359	3.7
247.05916	0.6
249.03900	1.0
251.07076	0.8
252.07750	0.7
253.04980	1.2
253.08546	0.4
254.05711	0.5
255.02902	1.4
257.04401	2.3
259.06049	1.1
261.03943	1.9
261.09018	0.5
263.06964	0.5
265.04922	0.4
265.08832	0.4
266.05603	0.6
267.06485	1.8
268.07220	2.2
269.04379	2.4
269.07349	0.7
271.06067	1.4
273.03915	2.7
277.08554	1.1
279.06509	5.6
280.07181	1.6
281.04858	1.8
281.07779	1.9
282.05118	0.7
283.05960	3.9
284.06778	0.7
287.05283	0.9
289.08701	1.1
291.06677	1.8
292.07257	3.4
293.08029	5.6
294.05151	6.4
294.08673	1.7
295.06000	56.1
296.06653	4.2
297.03928	1.0
297.07556	4.7
299.05423	0.7
301.08578	0.4
303.06494	0.8
304.07220	1.6
305.08075	3.8
306.08786	2.9
307.05997	41.3
307.09378	2.2
308.06757	17.6
308.09894	0.4
309.04010	1.0
309.07520	16.7
310.08188	0.6
313.03857	0.4
313.06873	2.0
317.08054	5.5
318.08853	0.8
319.06000	4.0
319.09628	1.4
320.06787	8.2
321.07550	65.7
322.04678	1.1
322.08279	10.1
323.05493	1.6
323.09058	9.1
324.06332	0.8
325.07040	31.4
326.07047	0.4
327.05261	0.5
328.07303	0.5
329.08090	4.7
330.08850	0.5
331.05969	2.3
331.09641	0.9
332.06595	0.6
333.07550	33.3
334.08282	5.7
335.05569	1.8
335.09113	22.5
335.12286	0.4
336.06262	3.9
337.07010	21.9
338.07520	0.6
339.08505	3.4
341.08279	0.5
343.09583	1.5
344.06659	1.3
345.07556	18.5
346.08276	2.3
347.05478	0.8
347.09116	11.7
348.06256	2.2
349.07025	51.1
349.10358	2.6
350.07748	2.3
351.08612	25.6
353.10287	0.7
355.08347	0.6
357.07507	0.9
358.08307	1.2
359.09091	9.0
360.06216	0.8
361.06998	30.5
361.10477	1.9
362.07736	2.5
363.08594	25.6
364.08826	0.7
365.06290	0.5
365.10361	2.3
367.08115	7.7
371.09274	2.8
373.07028	17.0
374.07632	1.0
375.08621	20.1
377.06323	0.7
377.10333	5.1
379.08090	67.8
380.08429	1.0
381.09689	2.1
383.09100	0.6
385.09409	1.8
386.07831	1.1
387.03598	0.8
387.08582	14.5
389.06335	0.6
389.10309	4.6
390.06876	0.4
391.08087	43.8
392.08646	0.7
393.09650	4.4
395.07635	0.8
397.09167	38.6
398.09705	0.8
399.08643	6.0
401.10315	0.4
403.08090	17.5
404.08823	0.5
405.09665	16.8
407.11533	0.7
409.09149	44.7
410.09476	0.4
415.08044	13.8
416.09998	0.4
417.09689	10.1
421.09125	6.8
423.10980	0.8
427.10291	24.6
433.09152	43.9
434.09579	1.1
435.10684	1.2
439.10251	2.1
445.09180	19.1
446.09375	0.8
451.10199	54.4
452.10257	0.8
453.12231	0.7
457.11356	0.5
463.10184	27.5
469.11279	78.2
470.11481	1.5
481.11267	100.0
482.11591	1.9
499.12317	83.0
500.12762	0.8
517.13379	34.5
518.14087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88077	0.6
52.89294	0.6
53.03935	1.2
55.01863	1.0
57.03446	1.3
60.04518	0.7
61.02914	1.4
63.31332	0.6
67.05486	1.2
68.99774	0.9
69.03419	3.0
69.17239	0.7
71.60934	1.0
73.02903	0.7
79.01848	2.5
81.03427	4.1
85.02896	8.9
85.06706	0.6
90.06905	0.7
91.05457	0.9
97.02886	4.5
107.01301	4.4
109.02876	9.9
111.04478	0.8
115.07559	0.7
125.02335	6.9
127.03906	27.1
131.04913	0.9
138.05455	0.8
139.03889	54.2
143.03386	5.6
145.05020	1.4
153.01817	100.0
154.29099	0.7
157.08603	1.0
163.03899	0.7
167.03392	81.2
171.02873	81.2
171.04395	1.8
172.03246	0.8
174.05469	1.6
175.07533	1.4
177.70967	0.8
179.03377	3.4
185.04533	1.7
192.06519	0.8
196.63960	0.6
208.09746	1.2
212.05608	1.1
232.35394	0.7
248.13600	1.4
295.10864	0.8
313.11761	4.2
341.08749	1.1
354.11798	1.7
457.19785	0.8
492.93021	0.7
516.19617	1.0
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
53.03941	2.9
55.01867	2.2
55.05283	2.1
55.05510	18.4
57.03427	5.4
57.07066	4.4
61.02916	4.5
65.03911	3.6
67.05501	78.8
69.03419	11.5
69.07054	15.1
69.36708	16.5
69.37115	3.0
71.05000	4.6
73.02897	1.9
79.05492	57.0
79.05952	3.2
79.41978	1.7
81.03391	7.9
81.07053	97.5
83.04959	2.9
83.08617	13.2
85.02902	8.2
85.06538	4.5
91.04963	1.3
91.05470	35.2
93.07039	66.8
95.04942	10.2
95.08601	70.0
97.02894	3.4
97.06557	8.5
97.10155	5.2
98.29461	1.6
99.08083	4.0
104.34519	1.9
105.07014	26.7
107.08589	46.5
109.02874	2.7
109.06516	7.1
109.10151	43.0
111.04400	2.2
113.09646	3.1
117.07015	13.7
119.08566	23.3
121.06476	2.9
121.10140	39.1
123.08067	4.3
123.11700	20.6
127.03922	2.1
129.06998	6.1
131.08566	27.6
133.06403	2.4
133.10118	22.4
135.08067	3.1
135.11688	33.4
137.09589	3.3
137.13249	8.4
139.11163	3.0
143.08539	4.7
145.10104	23.9
147.11668	19.2
149.13245	24.8
157.10139	2.5
159.11691	21.3
161.09570	2.8
161.13226	14.4
163.14807	19.9
165.12823	2.9
169.10066	3.6
171.11633	3.8
173.13255	22.5
175.14830	4.9
177.12778	5.0
177.16373	7.5
179.14348	1.9
185.09627	2.2
185.13309	3.8
187.14835	11.5
189.12766	1.9
191.14270	3.0
197.13246	1.9
199.14798	2.8
201.16393	3.0
209.13403	1.8
215.17938	2.1
219.17581	2.2
233.22639	4.7
243.21060	31.2
259.20532	2.2
261.22128	100.0
279.23138	3.5
301.21426	2.3
303.23196	3.2
317.24902	2.9
319.22144	1.9
323.18152	2.3
335.25720	12.5
341.24789	2.2
345.24344	2.5
353.26886	26.1
369.24158	7.0
387.25311	4.4
405.26257	5.2
419.28201	3.3
431.27676	1.9
443.27859	3.2
461.28961	3.0
479.29889	4.1
497.30994	7.9
514.50958	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11567	0.7
53.03929	2.9
53.60317	0.9
54.96210	1.0
55.01852	2.3
55.05253	1.4
55.05506	17.9
57.03231	1.0
57.03436	9.6
57.07073	4.9
57.66253	1.0
61.02925	5.6
65.03926	3.4
67.05501	93.9
69.03425	6.9
69.07066	19.0
69.32086	8.5
69.32508	2.6
71.01332	1.1
71.04972	3.6
71.08620	1.4
73.02898	3.5
75.04498	2.0
77.03906	1.4
79.05486	54.8
81.03409	6.3
81.07051	100.0
83.04964	3.5
83.08620	11.6
85.02892	5.6
85.06532	4.3
90.58557	0.9
91.03949	1.8
91.04903	1.1
91.05473	35.1
93.07037	69.5
95.04963	7.5
95.08601	75.1
97.02880	6.4
97.06519	5.0
97.10155	5.6
99.04453	1.3
99.08084	3.3
103.03918	2.0
105.04478	1.2
105.07021	23.4
107.04945	2.1
107.08586	43.5
109.02916	1.1
109.06524	8.2
109.10146	38.5
111.08070	2.6
113.09629	1.5
117.07002	11.9
119.08577	21.1
119.63063	0.9
121.06524	1.4
121.10132	37.9
123.08062	3.3
123.11686	20.8
125.09623	2.2
127.03883	1.9
129.05420	1.1
129.06975	3.2
131.08559	26.7
133.06503	1.6
133.10124	19.1
135.08037	3.1
135.11678	27.4
137.09608	2.7
137.13271	4.4
139.11160	2.7
141.07077	1.2
142.07761	1.3
143.08553	3.6
145.10104	18.2
147.08017	2.0
147.11665	15.3
149.09601	2.0
149.13245	22.0
151.11147	2.2
151.14809	2.5
153.12640	1.1
155.08533	1.8
157.10117	2.6
159.11670	17.3
161.09622	2.0
161.13248	15.8
163.11134	2.8
163.14818	13.8
165.12698	2.0
169.10208	1.2
171.11676	4.4
173.13246	17.3
175.11139	1.3
175.14832	4.2
177.12726	2.2
177.16342	6.3
179.14259	2.0
185.13277	2.6
187.14809	10.8
189.16405	1.4
191.14256	1.4
199.14874	2.1
201.16356	4.4
205.15880	1.2
209.15227	1.2
212.01660	1.1
215.18010	1.5
219.17380	2.3
233.15331	1.4
233.22627	2.1
243.21077	27.4
259.20520	1.4
261.22131	77.2
279.23135	5.4
285.22052	1.9
301.21552	2.7
303.23309	4.5
317.24780	1.3
319.22818	1.2
327.23352	1.1
335.25775	26.7
345.24283	3.1
353.26865	21.4
369.24176	3.2
387.25269	2.3
405.26187	3.2
419.28052	4.9
443.27997	2.9
461.29279	2.6
479.29889	2.4
497.31094	9.1
497.37906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05508	23.7
57.03427	9.4
57.07058	6.8
61.02910	8.1
65.03943	4.0
67.05498	90.9
69.03427	17.4
69.07063	23.2
69.52657	18.8
71.01326	3.3
71.04962	5.2
71.08627	4.7
73.02914	5.5
79.05491	64.9
81.03408	12.4
81.07049	100.0
83.04974	6.3
83.08599	17.7
85.02879	13.2
85.06567	3.0
88.91280	2.4
91.03929	3.4
91.05473	42.5
93.06470	4.0
93.07040	80.0
95.04960	18.9
95.08598	87.3
97.02872	8.6
97.06513	9.3
97.10166	4.1
98.20776	5.0
99.04441	5.2
99.08083	7.2
105.07018	42.1
107.04922	4.3
107.08583	46.5
109.06509	12.9
109.10148	43.0
111.04371	3.7
115.05450	2.9
117.07018	21.1
119.08589	28.2
121.06479	4.2
121.10139	52.7
123.08047	7.8
123.11696	20.4
127.03893	5.3
129.06999	11.0
131.08559	32.7
133.06514	3.3
133.10117	22.8
135.08035	7.4
135.11679	32.4
137.09550	4.5
137.13228	3.8
139.11180	4.7
141.06970	4.5
142.07814	2.9
143.08562	9.3
145.06453	3.0
145.10126	31.9
147.08041	4.9
147.11696	21.5
149.09599	5.9
149.13234	28.3
151.11179	4.3
155.08502	3.3
157.10144	6.5
159.08060	4.7
159.11668	22.6
161.09566	5.4
161.13297	15.9
161.14449	2.7
163.11203	5.9
163.14754	13.5
169.10127	7.0
171.08035	3.4
171.11684	8.9
173.13275	25.8
175.11160	3.6
175.14764	7.1
177.12665	5.4
177.16342	4.5
181.10097	4.3
185.13254	4.4
187.14833	11.2
189.16267	3.9
195.13762	3.2
197.13231	3.3
199.14822	4.4
201.12610	3.4
201.16420	3.1
205.15805	5.1
207.13824	2.9
209.13141	2.8
233.22444	3.3
235.16913	4.3
243.21078	23.0
261.22134	70.9
269.17252	2.8
273.22113	4.1
279.23245	6.8
285.22302	4.7
301.21542	6.7
303.23120	9.7
319.22760	4.0
335.25754	14.2
341.24847	3.5
345.24225	8.6
351.22668	6.2
353.26877	30.7
361.26846	3.0
363.25018	2.7
369.24228	15.1
375.25308	3.0
377.26743	5.5
387.24902	8.5
405.26172	9.0
419.27756	8.0
443.27655	6.9
449.28653	3.9
461.28812	10.0
479.29858	10.9
497.30789	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01845	4.8
55.05506	23.2
57.03423	9.9
57.07063	4.5
58.61758	2.4
61.02916	7.1
65.03943	3.2
67.05501	82.9
68.62143	2.2
69.03406	10.9
69.07058	22.3
70.45546	8.8
71.05000	2.9
73.02904	4.1
79.05488	49.7
81.03418	9.7
81.07051	100.0
81.15321	2.8
82.16899	2.5
83.04948	6.4
83.08599	7.9
85.02906	10.5
91.03938	4.3
91.05473	34.6
93.07042	68.8
95.04965	9.2
95.08597	80.9
96.65384	2.6
97.02869	5.5
97.06501	7.1
97.10165	5.2
99.08097	5.8
100.36620	2.2
103.03939	2.8
105.07032	28.3
107.08593	38.3
109.02831	2.3
109.06505	9.9
109.10138	33.4
111.08064	3.4
117.07008	15.1
119.08591	26.0
121.10132	32.6
123.08054	6.0
123.11720	21.1
127.03838	2.8
129.06979	5.3
131.08569	27.1
133.06425	2.5
133.10124	21.9
135.07977	2.8
135.11691	29.3
136.06442	2.3
137.09554	3.4
137.13220	7.6
143.08614	5.4
145.06548	3.4
145.10124	17.8
147.08090	3.5
147.11722	17.4
149.09622	3.0
149.13234	15.4
149.57996	2.3
157.10121	7.7
159.11687	23.7
161.09592	3.0
161.13251	11.3
163.11127	3.3
163.14803	10.4
169.10097	4.3
171.11687	6.8
173.13260	15.9
175.14807	5.5
177.12813	3.7
177.16418	5.0
179.14308	4.5
183.11592	3.7
185.13315	3.6
187.14787	12.9
191.14197	3.2
201.16335	4.1
243.21162	25.1
261.22131	56.0
269.17581	2.9
279.23199	6.2
285.22302	6.1
301.21533	4.0
303.23114	7.5
335.25714	17.1
345.24319	5.8
353.26831	25.6
369.24191	11.2
387.25339	4.8
405.26450	5.1
419.27890	10.6
443.27658	4.4
461.28894	8.7
479.29819	6.1
486.05954	2.5
497.31149	15.7
515.25696	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	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68786	0.2
54.90748	0.3
55.05508	0.3
67.05503	0.8
69.07040	0.3
70.91005	0.3
73.65275	0.3
79.05437	0.4
81.07040	0.7
91.05461	0.5
93.07055	0.3
95.08609	0.7
97.16666	0.3
101.84401	0.3
105.07003	0.4
107.08591	0.3
108.59702	0.3
121.10139	0.5
145.10117	0.3
159.11685	0.4
185.04173	0.4
197.77483	0.3
203.05304	1.2
259.07913	0.5
356.50339	0.3
426.68777	0.3
515.31866	100.0
516.32184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32619	0.5
56.96549	2.5
57.03414	0.7
57.53249	0.6
69.03399	1.6
70.39114	1.8
73.02903	1.2
77.00935	0.6
80.00838	0.6
82.06551	0.7
82.11317	0.6
82.99875	1.1
85.02908	1.3
87.57214	0.6
88.93445	0.6
93.29041	0.5
93.63235	0.5
97.02874	2.0
98.97565	4.5
100.99146	1.0
101.00857	5.2
109.02824	0.7
110.97549	1.2
113.00900	1.1
116.92722	0.7
116.98596	2.0
119.01925	15.5
127.02405	4.4
127.03876	0.6
128.07068	1.7
128.98586	2.4
131.00153	1.0
131.01924	3.9
133.03441	2.1
137.02942	1.9
139.02435	1.6
140.98621	0.6
143.00159	1.1
143.01883	17.0
144.47487	0.6
145.00752	2.0
145.03453	31.7
145.50780	0.9
146.99634	1.9
147.01401	0.8
149.01180	1.4
149.02905	0.9
152.41454	0.6
154.01308	1.6
154.51439	0.6
155.01913	12.8
157.03465	14.1
158.99596	1.5
161.01434	1.0
161.02945	20.8
163.04518	4.4
167.01878	7.0
169.03430	3.8
170.99661	2.1
171.05096	2.8
173.02956	26.1
173.09178	2.1
175.01854	0.9
175.04518	6.9
177.00674	2.2
179.01936	2.3
181.03401	0.8
184.04778	0.6
185.02945	36.8
186.03171	1.1
187.04526	6.8
189.00668	2.1
189.02364	0.8
190.98613	1.7
191.02406	0.6
191.03993	17.2
196.04565	1.0
197.02942	12.9
199.04500	2.0
201.00697	3.7
203.02426	0.5
203.03970	13.8
203.05692	0.9
205.53128	0.7
208.04504	1.0
208.99670	2.6
209.02956	1.4
209.04996	1.0
211.04382	0.8
212.03658	0.8
214.98651	0.7
215.04025	9.4
217.05621	1.1
219.01729	4.9
220.04663	0.7
221.05011	2.0
226.03430	0.7
227.03981	10.6
228.04097	0.6
229.05597	1.0
232.99730	2.3
233.05063	19.3
237.02750	2.7
239.03993	1.1
243.01825	0.7
245.05060	100.0
246.05286	2.8
247.03992	1.1
247.06575	1.9
247.54106	0.9
251.00665	1.7
251.06169	3.9
257.05090	6.9
261.02893	3.4
262.57013	1.0
263.06097	15.9
264.06265	0.9
275.06113	17.1
277.05048	0.7
277.07660	0.8
277.55057	0.6
278.05157	0.8
279.03873	2.1
281.07175	0.8
286.07712	1.2
287.06076	1.5
291.03787	0.7
293.07306	6.0
298.55725	1.0
299.05875	0.8
305.07147	17.4
317.07016	2.9
321.10373	0.8
335.02771	1.4
335.08246	13.0
347.08377	0.9
352.70853	0.7
353.03891	2.4
353.09259	2.0
365.09262	30.5
377.09158	1.6
381.07071	0.9
383.10379	2.8
395.10184	1.7
399.07886	1.4
406.12283	0.8
416.76917	0.7
455.10645	1.4
497.07980	0.6
497.13651	11.0
515.07892	2.0
515.15240	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	514.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.02584	0.6
54.96822	0.7
55.01871	0.8
55.29696	0.6
65.03945	0.9
67.05492	1.9
68.05009	1.1
69.07063	5.7
70.04218	0.7
70.06585	3.3
71.04966	1.2
71.35645	1.5
78.04699	1.2
79.05532	0.7
80.05010	0.9
85.02892	2.0
86.09696	3.8
86.69823	0.7
91.05469	0.8
92.02657	0.8
94.06564	12.0
95.04960	2.2
97.06535	1.1
98.06059	1.3
104.04974	2.3
105.05770	1.6
106.04144	0.9
108.04468	12.7
112.07600	3.3
118.06525	1.5
122.06017	38.7
123.04391	2.4
124.07549	0.9
133.05150	0.9
138.05484	0.7
140.07051	71.9
144.04480	1.0
145.05183	1.1
146.05994	48.0
147.06421	1.2
148.07599	0.9
150.05492	2.7
152.07057	1.6
154.04924	0.6
162.05452	1.0
163.06303	1.2
167.06940	1.1
168.06552	12.5
172.03926	10.3
173.04691	6.9
174.05496	51.7
176.07066	2.7
190.04984	1.8
191.05766	15.0
192.06564	4.9
199.18037	1.1
204.06529	9.1
206.08145	5.9
211.08580	1.2
225.10182	4.7
237.10239	1.6
239.08112	1.6
239.11794	2.4
240.08844	1.3
241.09677	1.6
252.08902	1.4
253.09621	6.3
254.10498	1.4
258.26782	0.8
265.09793	1.5
267.11298	5.3
281.09186	12.1
285.12308	10.1
292.67432	0.8
295.10724	7.8
296.11612	0.9
297.12347	3.5
299.10242	16.7
299.13455	1.2
300.11261	2.2
313.11783	42.8
323.10199	8.8
324.11093	4.9
331.12906	9.7
341.11295	70.4
342.11771	2.5
345.14520	1.4
356.13794	2.3
361.04114	0.8
373.13907	7.0
440.18134	13.2
464.18100	6.0
482.19189	100.0
483.19427	3.9
496.20853	8.4
500.20483	3.8
514.21832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.02584	0.6
54.96822	0.7
55.01871	0.8
55.29696	0.6
65.03945	0.9
67.05492	1.9
68.05009	1.1
69.07063	5.7
70.04218	0.7
70.06585	3.3
71.04966	1.2
71.35645	1.5
78.04699	1.2
79.05532	0.7
80.05010	0.9
85.02892	2.0
86.09696	3.8
86.69823	0.7
91.05469	0.8
92.02657	0.8
94.06564	12.0
95.04960	2.2
97.06535	1.1
98.06059	1.3
104.04974	2.3
105.05770	1.6
106.04144	0.9
108.04468	12.7
112.07600	3.3
118.06525	1.5
122.06017	38.7
123.04391	2.4
124.07549	0.9
133.05150	0.9
138.05484	0.7
140.07051	71.9
144.04480	1.0
145.05183	1.1
146.05994	48.0
147.06421	1.2
148.07599	0.9
150.05492	2.7
152.07057	1.6
154.04924	0.6
162.05452	1.0
163.06303	1.2
167.06940	1.1
168.06552	12.5
172.03926	10.3
173.04691	6.9
174.05496	51.7
176.07066	2.7
190.04984	1.8
191.05766	15.0
192.06564	4.9
199.18037	1.1
204.06529	9.1
206.08145	5.9
211.08580	1.2
225.10182	4.7
237.10239	1.6
239.08112	1.6
239.11794	2.4
240.08844	1.3
241.09677	1.6
252.08902	1.4
253.09621	6.3
254.10498	1.4
258.26782	0.8
265.09793	1.5
267.11298	5.3
281.09186	12.1
285.12308	10.1
292.67432	0.8
295.10724	7.8
296.11612	0.9
297.12347	3.5
299.10242	16.7
299.13455	1.2
300.11261	2.2
313.11783	42.8
323.10199	8.8
324.11093	4.9
331.12906	9.7
341.11295	70.4
342.11771	2.5
345.14520	1.4
356.13794	2.3
361.04114	0.8
373.13907	7.0
440.18134	13.2
464.18100	6.0
482.19189	100.0
483.19427	3.9
496.20853	8.4
500.20483	3.8
514.21832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.24506	0.9
53.03930	1.3
55.01862	1.8
55.05509	5.7
57.03428	4.0
57.07072	2.1
61.02924	7.7
65.03928	1.0
67.05167	1.6
67.05500	20.8
69.03430	4.7
69.07066	6.9
71.04985	2.6
71.08618	0.9
71.36928	1.8
71.37263	1.2
73.02900	3.5
75.04468	1.8
79.05489	20.8
81.03414	2.9
81.07048	24.7
83.04975	1.0
83.08601	3.7
85.02898	8.7
85.06526	1.4
91.03954	4.5
91.05470	20.2
91.06011	1.9
93.07034	31.8
95.04961	3.3
95.08598	15.9
97.02892	7.8
97.06511	1.3
97.10167	1.1
99.04435	1.6
99.08071	2.6
103.05462	2.0
105.04524	0.9
105.07021	22.6
107.04979	1.9
107.08592	20.5
109.02894	1.2
109.06518	2.3
109.10142	7.9
109.73428	1.0
117.07025	6.1
119.07787	1.6
119.08575	23.7
121.06477	8.5
121.10140	15.0
123.04427	1.2
123.08057	1.4
123.11700	2.2
125.09657	1.2
127.03922	1.9
128.06232	1.0
129.07010	3.8
131.08548	9.6
133.10117	19.7
135.08000	1.4
135.11681	17.2
137.06003	1.9
137.09610	1.2
142.07713	1.2
143.08545	6.7
145.04942	2.1
145.06450	1.6
145.10091	11.7
147.11678	22.4
149.05963	7.8
149.09630	2.0
149.13263	9.9
157.10095	5.4
159.11694	11.4
161.13245	17.7
163.11188	1.8
163.14798	3.8
165.12766	1.0
165.49266	1.0
169.10063	1.5
171.11649	6.3
173.13232	6.9
175.11237	1.5
175.14790	9.6
177.12758	2.5
183.11734	1.4
185.13255	4.6
187.14828	2.3
189.12813	1.2
191.14401	1.2
197.13315	1.3
199.14796	4.3
213.16418	1.9
217.19547	2.3
231.17424	1.8
231.21103	3.9
235.17061	1.2
241.19487	16.6
257.19009	1.3
259.20566	38.2
271.05936	1.4
271.20618	1.3
277.21588	6.1
325.21429	1.2
333.24194	7.7
343.22702	1.6
346.42862	1.0
349.23740	3.6
351.25262	100.0
352.25839	1.1
363.25296	1.9
367.22470	1.8
375.25229	1.7
385.23795	1.2
390.14102	1.4
403.11606	1.2
429.26669	1.3
441.26321	5.1
451.19223	1.1
459.27377	3.4
477.28470	3.0
495.29413	4.0
513.15210	2.4
513.26453	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01868	2.0
55.05492	6.0
57.03423	4.4
57.07065	1.5
61.02921	10.2
66.26245	1.1
67.01802	1.2
67.05497	17.2
69.03404	3.7
69.07058	7.6
69.96910	4.2
69.97318	2.9
71.04995	1.6
73.02904	3.3
75.04452	1.7
79.05486	20.1
81.03410	2.3
81.07048	22.2
82.91629	1.0
83.04982	1.8
83.08592	3.4
85.02909	11.2
85.06526	2.9
91.03934	4.5
91.05470	19.7
93.06465	2.2
93.07031	32.6
95.04974	5.9
95.08599	18.3
97.02866	6.0
97.06528	1.2
97.10139	1.7
98.20750	1.4
99.04417	1.8
99.08090	1.3
103.05462	1.4
105.07018	22.3
107.04935	2.5
107.08591	19.9
109.02886	1.7
109.10155	6.5
117.06994	7.6
119.08581	22.0
121.06442	4.6
121.10130	17.1
123.04417	44.9
123.11720	1.6
127.03921	2.6
129.07022	5.8
131.04877	1.4
131.08578	10.4
133.10121	21.8
135.11694	17.9
137.02367	1.5
143.08549	4.8
145.10094	12.8
147.11678	18.3
149.05983	5.7
149.09605	2.1
149.13214	10.6
151.03874	2.0
157.10118	4.8
159.11650	10.2
161.13252	11.1
163.11214	1.7
163.14790	4.7
171.11746	6.2
173.13255	7.1
175.14842	8.0
177.12674	2.0
183.11757	1.5
185.13228	6.2
187.14809	2.3
199.14680	2.7
213.05377	1.2
213.16422	2.0
215.18042	1.8
217.19427	2.0
231.17499	1.5
231.20966	3.0
241.19456	16.1
259.20541	36.4
267.06384	1.6
271.20599	1.5
277.21667	5.0
279.06494	1.9
301.21585	1.2
333.24185	7.4
345.07364	1.6
349.23853	3.0
351.25262	100.0
363.25604	1.4
367.22794	2.6
375.25101	1.8
377.10037	15.0
385.24197	1.8
386.14761	1.2
394.30566	1.3
417.26498	1.5
429.26355	2.0
441.26352	4.9
459.27524	4.4
477.28510	2.4
495.29263	4.5
513.15924	7.5
513.26990	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01861	7.1
55.05508	28.1
57.03435	44.5
57.07055	4.9
59.05003	2.6
60.43785	2.3
61.02923	19.4
65.03928	5.5
65.28247	2.8
67.05167	4.4
67.05504	72.3
69.03424	28.9
69.07081	24.1
71.01346	5.8
71.04994	23.9
71.31183	2.6
71.31516	4.7
73.02922	14.7
75.04474	2.4
75.28138	2.5
79.05051	5.0
79.05492	67.3
81.02981	2.6
81.03417	29.9
81.06575	4.8
81.07053	84.5
83.04984	13.1
83.08606	13.0
85.02911	39.7
85.06550	7.4
87.04450	2.6
91.03949	11.3
91.05479	59.9
93.07038	96.1
95.04993	12.7
95.08605	73.8
95.30753	2.4
97.02888	35.8
97.06509	10.2
97.10152	6.3
99.04444	8.2
99.08079	6.8
101.02377	8.3
103.03931	7.7
103.05493	3.1
105.07033	51.7
107.04910	3.4
107.08597	56.6
109.02888	9.7
109.06500	7.0
109.10146	23.9
111.04456	4.1
111.08080	6.9
115.03919	4.7
117.07015	19.4
119.08575	41.9
121.10152	45.9
123.08076	6.9
123.11716	6.9
125.09656	3.3
127.03913	19.4
129.05461	7.1
129.06992	10.9
131.08569	30.2
133.10117	35.3
135.11697	33.3
137.09598	5.8
143.08556	8.9
145.04977	7.8
145.10126	27.5
147.11679	28.4
149.09650	4.8
149.13286	20.3
157.10100	12.6
159.11694	22.3
161.13258	22.8
163.11192	4.6
163.14816	7.3
165.12740	4.7
171.11694	13.3
173.13260	17.6
175.14790	8.1
177.12775	3.0
183.06493	4.4
185.13272	7.5
187.14790	17.9
189.16388	4.2
191.14320	3.8
197.13260	3.0
199.14804	5.5
201.07675	2.7
201.16417	2.8
203.14322	2.7
205.15901	6.0
207.17622	3.1
213.16447	4.8
219.17300	3.2
231.20992	3.1
241.19499	14.4
259.20587	44.5
269.17746	2.6
275.20105	4.4
277.21637	45.7
293.21085	4.4
301.21680	5.2
333.24265	8.8
343.22537	3.2
351.25281	100.0
361.23746	2.9
379.25024	3.7
392.36484	2.8
393.26199	2.7
421.25888	4.7
441.26047	4.2
459.27518	2.8
477.28268	6.9
495.29495	7.2
513.33838	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.8
57.25498	3.1
61.02910	11.8
67.05500	16.8
69.03419	9.9
69.07053	6.8
71.59944	4.4
71.60323	4.9
73.02892	6.1
79.05505	20.0
81.03389	5.9
81.07059	24.0
83.04952	4.1
83.08611	6.1
85.02885	11.0
85.29977	3.6
91.03918	7.5
91.05458	24.1
93.07030	34.7
95.04952	7.9
95.05573	3.3
95.08601	23.1
97.02898	7.5
99.04437	3.7
105.07034	30.1
107.08596	17.9
109.10148	9.8
117.06971	7.2
119.08539	26.4
121.10130	16.2
123.11669	5.1
127.49583	3.4
131.08548	12.8
133.10126	19.9
135.11681	15.9
143.08490	5.4
145.10104	17.0
147.11687	22.1
149.13271	4.9
157.10088	7.4
159.11684	12.0
161.13229	16.4
163.14815	4.7
169.39954	4.0
171.11647	9.5
175.14807	5.9
185.13268	7.2
189.12701	4.0
199.14659	5.1
241.19518	20.2
259.20575	34.0
277.21713	5.6
349.23563	6.3
351.25281	100.0
441.26099	7.6
477.28030	7.3
495.29041	8.0
513.26923	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.01859	7.8
55.05502	28.5
56.41920	3.3
57.03434	34.4
57.07059	3.6
61.02924	25.0
65.03931	3.7
67.05174	3.7
67.05502	69.5
68.81899	2.8
69.03420	32.0
69.07071	20.4
69.32485	3.2
71.01332	6.6
71.04990	20.9
71.60802	4.6
73.02918	15.4
79.05486	70.6
79.06648	3.0
81.03416	25.1
81.07054	91.3
83.04976	9.3
83.08601	12.8
85.02903	45.0
85.06524	6.1
91.03946	8.4
91.05478	58.5
93.07040	90.1
95.04946	14.6
95.08599	64.9
97.02879	37.9
97.06516	11.2
97.10194	4.7
99.04417	8.7
99.08083	4.8
101.02386	8.8
103.03915	3.8
103.94517	3.4
105.07022	57.4
107.04942	4.7
107.08582	56.3
109.02856	9.4
109.06491	9.6
109.10148	22.1
111.04424	5.0
111.08051	5.6
115.05443	3.8
117.06995	16.7
119.08576	42.2
121.06445	6.2
121.10143	52.0
123.04404	9.6
123.08064	5.7
123.11684	6.1
125.09615	5.1
127.03915	21.3
129.05435	5.3
129.06990	10.0
131.08589	30.9
133.06454	5.4
133.10123	32.5
135.07977	3.6
135.11693	36.8
137.09596	4.2
137.13214	3.4
141.06998	3.7
143.08549	12.7
145.04985	7.8
145.10114	35.1
147.08049	3.4
147.11699	32.2
149.13269	25.9
151.11223	4.4
157.10095	9.5
159.11697	25.0
161.13222	21.8
163.11105	5.2
163.14818	8.5
167.07053	6.3
169.10104	5.9
171.11662	12.4
173.13254	18.2
175.14806	11.1
177.12830	4.5
185.13257	9.1
187.14792	11.4
189.12773	4.7
199.14879	7.1
201.07445	4.2
205.15808	4.5
209.13397	3.7
211.14816	3.6
213.16307	3.4
217.15868	3.5
221.18887	3.7
230.79378	3.6
231.02536	3.3
231.20949	6.0
241.19501	13.8
259.20572	48.2
277.21591	40.4
300.57352	3.7
318.28339	3.3
333.24036	9.7
336.63824	3.2
351.21112	5.8
351.25302	100.0
359.50781	3.9
375.25256	3.9
385.23364	4.1
393.26294	6.0
421.25201	4.0
459.27203	6.5
477.28354	6.6
495.29340	7.9
513.30725	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	513.3056
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03923	2.2
55.05505	8.7
57.03431	4.7
57.07044	2.2
57.45210	1.9
61.02908	8.5
67.05495	17.5
69.03411	2.6
69.07072	9.6
70.86605	4.6
71.04995	2.5
73.02898	3.7
77.08512	2.0
79.05129	1.9
79.05497	21.3
79.47086	1.9
81.03383	1.8
81.07048	33.0
83.08593	4.2
83.64127	1.8
85.02892	9.2
85.06554	2.3
91.03922	4.5
91.05476	21.9
91.73746	2.0
93.07042	32.1
94.48491	2.2
95.04929	2.7
95.08585	17.0
97.02886	7.7
97.06498	2.8
97.10176	3.4
99.08099	3.7
103.05440	2.4
105.07022	28.3
107.08588	18.3
109.10160	4.6
117.07020	3.8
119.08559	21.4
121.10125	17.9
121.79059	2.3
123.08102	3.6
123.11702	7.1
127.03918	2.6
129.06972	3.2
131.08553	8.9
133.10107	20.7
135.11678	15.8
143.08537	4.4
145.10089	12.6
147.11673	26.0
149.09612	2.5
149.13255	10.0
157.10095	5.6
159.11694	11.3
161.13297	13.8
163.14803	3.9
165.12735	6.6
169.10278	2.4
171.11656	6.9
173.13243	6.1
175.14769	5.8
185.13269	6.7
189.12730	2.4
199.14784	2.0
213.16354	2.4
231.20908	2.3
241.19489	15.5
259.20541	36.6
267.15811	8.6
271.20676	2.1
277.21582	5.9
285.16898	13.5
298.83643	1.9
310.32266	2.3
325.21344	2.2
333.24164	6.3
351.25259	100.0
367.22620	3.2
385.23785	3.1
441.26230	4.8
441.53082	2.3
459.27191	2.8
477.28439	3.1
495.29370	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81376	2.6
53.03939	2.9
53.93219	2.4
55.05500	9.4
55.34131	2.7
57.07068	2.9
61.02939	12.9
67.05502	21.1
67.70015	2.6
69.03423	6.9
69.07057	6.4
69.79917	18.8
71.04989	4.9
73.02915	7.7
78.72734	2.9
79.05488	35.1
81.03403	5.2
81.07047	26.2
83.08630	3.4
85.02910	13.9
91.03973	7.5
91.05481	29.4
93.07037	34.7
95.04964	6.0
95.08596	18.2
97.02900	9.0
97.06499	4.3
99.08129	4.0
105.07026	38.1
107.04948	4.2
107.08578	23.7
109.02855	3.0
109.06490	3.1
109.10171	11.0
117.06998	10.9
119.08573	30.0
121.10123	18.4
127.03930	3.7
129.07005	9.2
131.08554	16.5
133.10120	29.5
133.96986	2.8
135.06303	2.6
135.11670	19.6
143.08577	8.3
145.10114	18.6
147.11688	29.4
149.13293	9.0
157.10170	10.2
159.11652	14.7
161.09619	3.6
161.13249	20.1
163.14813	4.2
169.10135	5.1
171.11713	11.9
173.13248	10.7
175.11189	3.5
175.14827	10.9
177.12878	2.8
185.13263	10.4
187.14903	3.9
199.14825	4.4
241.19576	20.9
259.20563	47.3
276.79834	2.8
349.23831	3.8
351.25311	100.0
361.85211	3.1
367.22516	5.5
375.25027	3.2
385.23654	7.1
403.25000	3.8
421.25854	6.2
441.26416	6.0
477.28564	5.4
495.29068	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.3
57.03429	3.5
61.02925	11.9
67.05499	16.4
69.03433	2.0
69.07066	5.5
70.67412	6.2
73.02909	3.5
79.05485	23.5
79.05900	2.2
81.03404	3.3
81.07052	23.5
83.04993	2.7
83.08617	3.0
85.02895	7.9
89.16460	1.4
91.03954	4.8
91.05477	19.5
93.07036	36.7
95.04960	3.0
95.08604	14.9
97.02889	5.0
97.10145	1.9
105.07023	20.4
107.08574	22.0
107.09206	2.5
109.06510	2.4
109.10144	7.6
117.07008	5.9
119.08569	24.0
121.10134	17.9
123.08064	2.1
127.03936	1.9
128.06247	1.9
129.07002	3.3
131.08565	12.5
133.10126	16.8
135.08134	2.0
135.11699	16.0
143.08563	4.5
145.10100	9.5
147.11665	18.1
149.13255	7.8
150.56552	1.7
157.10103	3.6
159.11678	9.1
161.09557	1.8
161.13248	14.0
163.14813	3.5
171.11716	5.7
173.13280	6.3
175.14838	6.6
185.13271	5.0
189.13010	1.6
199.14828	2.9
213.16342	1.6
217.19487	2.2
231.21004	3.1
241.19502	12.6
259.20554	35.8
277.21667	6.1
301.21832	2.0
333.24170	6.3
344.20401	2.0
349.24002	2.0
351.25269	100.0
363.25009	1.5
375.25391	2.7
441.26212	2.7
459.27670	2.0
477.28525	3.5
495.29352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
56.96577	6.5
56.96802	1.1
57.03427	4.0
61.02914	3.5
69.03429	9.1
71.05009	1.7
71.30786	2.1
73.02919	6.5
81.03416	3.2
83.04982	1.8
84.96065	1.4
85.02902	18.3
86.10600	1.2
86.62466	1.0
87.04467	1.6
91.03937	1.6
97.02893	11.0
98.97575	16.1
99.04455	1.7
101.00877	1.8
103.02445	2.0
109.02846	1.5
110.97584	1.6
112.99123	4.5
115.02392	3.0
115.03953	1.1
115.69164	1.0
116.98596	6.7
119.01923	8.6
119.05000	1.4
121.03459	1.7
127.03945	6.7
128.98604	3.0
129.03986	1.4
131.00177	11.5
131.01880	6.7
133.03468	23.1
133.04965	1.4
134.99644	2.3
141.04047	1.3
143.00223	1.5
143.01910	5.2
145.03450	7.0
145.04942	4.4
146.99654	3.2
147.03224	1.4
147.05043	4.7
149.01227	8.3
151.04509	3.2
155.01910	8.0
157.03493	5.2
158.99593	5.4
159.05032	12.0
161.01456	2.3
161.02968	8.1
163.02763	3.3
167.05629	1.4
171.05032	9.8
173.01256	4.0
173.02972	9.1
175.02954	1.6
175.04550	6.4
177.00758	4.8
177.04410	2.5
177.06081	6.1
178.04912	6.8
179.02110	2.1
183.05016	6.1
184.04675	1.3
185.02957	4.8
185.06586	2.6
187.04587	3.7
189.00732	2.8
189.06157	1.8
191.02296	3.8
193.03815	2.6
193.05441	1.6
195.05447	2.3
195.07190	5.8
197.02962	5.4
197.06570	1.8
199.04573	1.6
201.00790	2.1
201.06090	4.9
203.03986	3.3
204.56201	1.6
205.03891	1.6
207.05025	1.1
211.04692	3.5
217.03685	1.3
219.01765	9.8
219.05214	1.0
219.07130	24.0
221.05028	13.7
221.06972	1.3
223.05025	2.0
225.06140	2.2
229.16325	1.2
229.59200	1.4
231.07126	25.2
233.03378	1.9
233.08678	5.4
237.02844	17.5
239.06053	1.5
245.05080	22.4
245.07669	1.4
245.08813	2.7
250.60306	1.2
251.04405	2.9
255.07181	10.9
259.06720	2.0
261.08209	3.9
263.06180	1.9
273.08252	7.6
291.09396	2.0
293.05487	2.1
297.79044	1.2
307.06866	2.6
310.11676	4.2
310.61917	1.7
321.10349	100.0
322.10648	3.1
325.08127	1.4
332.10437	5.0
332.60776	1.5
337.08109	6.0
339.11490	7.6
341.10165	1.7
341.60001	1.2
349.61029	1.4
350.10724	6.3
350.59955	2.6
355.09100	4.9
364.10971	1.4
365.07687	1.7
367.09305	1.6
383.08609	1.8
397.10373	1.2
453.14398	2.0
476.45834	1.1
477.10638	2.5
495.11798	18.7
513.12885	63.3
514.13184	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.1
57.03428	4.2
59.48025	0.6
61.02919	3.1
69.03426	7.2
70.03776	0.6
71.04984	1.3
71.57875	0.6
73.02921	5.3
81.03410	3.8
83.04948	1.1
85.02420	1.2
85.02897	14.7
86.03225	1.1
87.04449	1.3
91.03930	0.9
95.04891	0.6
96.83250	0.5
97.02873	7.7
98.03226	1.0
98.28891	0.5
98.97581	6.3
99.04468	1.2
101.00866	2.0
101.06007	0.7
103.02410	2.0
105.51199	0.6
106.02835	0.7
109.02885	1.8
110.97571	1.2
112.99097	1.7
113.00880	0.7
115.02445	2.3
115.03960	0.7
116.98598	5.6
117.03317	0.7
119.01905	9.4
119.04923	0.8
121.03460	1.8
127.03902	5.1
128.04234	0.7
128.98595	2.0
129.03951	1.1
131.00214	3.5
131.01898	6.0
133.03456	20.5
134.99622	3.2
137.02928	1.5
137.05954	1.3
140.02298	0.6
141.03972	0.7
143.00162	1.1
143.01836	5.7
145.01732	1.2
145.03580	5.4
145.04932	2.6
146.99658	2.4
147.01346	0.9
147.05145	4.1
149.01215	4.3
149.02879	2.2
151.04510	4.9
155.01866	8.2
155.02899	0.7
156.04985	0.6
157.03461	7.2
158.99622	2.3
159.05032	9.8
161.01189	1.9
161.02934	7.9
162.02837	0.7
162.99002	0.8
163.02724	1.4
163.04460	2.2
163.05821	0.7
165.00677	0.6
165.06038	0.9
167.02022	0.9
169.03285	0.8
169.04539	1.1
170.99756	1.2
171.05060	6.9
173.01276	3.3
173.02954	11.5
173.06589	0.7
175.02760	1.5
175.04503	6.2
177.00714	3.2
177.02090	0.6
177.04128	1.0
177.05977	6.9
178.04852	8.1
178.55057	2.4
179.01895	2.8
179.05209	1.1
180.04568	1.9
183.05054	6.4
184.04752	0.8
185.02870	4.4
185.06586	1.6
187.02902	1.0
187.04405	2.7
189.00685	2.4
189.02435	1.8
189.06071	2.8
189.55655	1.2
191.02274	3.0
191.03819	0.7
192.04535	1.4
192.54855	2.0
193.03625	2.1
193.05266	0.7
195.07120	5.3
196.04515	0.9
197.02988	6.8
197.06566	1.3
199.04533	1.3
201.00696	2.2
201.02383	0.7
201.06213	3.4
203.03934	3.8
203.07785	0.7
205.03777	1.0
205.05602	1.3
207.01736	1.0
211.04659	3.5
213.06218	1.1
215.04199	1.1
215.07600	1.1
217.03781	0.6
217.05618	0.7
218.06392	0.8
219.01767	2.7
219.07138	26.1
220.07260	0.7
221.03215	0.5
221.05060	12.9
225.06018	2.2
227.04036	0.8
231.03667	3.6
231.07108	25.9
233.03296	0.9
233.08737	5.9
235.04704	0.9
237.02783	5.3
239.04070	0.7
243.07126	1.1
245.05070	26.4
245.08665	3.4
247.06721	1.7
249.02550	0.7
249.04736	0.7
250.07066	1.2
250.57320	0.9
252.06807	0.8
255.04225	0.7
255.07156	10.3
259.07526	3.6
259.57739	2.2
260.07886	2.2
260.58194	1.8
261.02737	1.5
261.08102	4.2
263.06296	3.1
265.07831	0.8
266.06583	1.1
267.07861	1.1
269.05524	0.6
271.06720	0.6
273.08191	10.6
274.08502	0.7
276.06793	1.2
279.03955	1.5
282.07562	1.5
282.57861	1.1
285.08087	0.7
291.03766	1.2
303.09491	1.2
307.08762	1.1
318.10599	1.1
318.60867	1.4
321.10287	100.0
322.10489	2.3
326.10294	0.7
333.06595	1.5
333.10187	1.7
337.08057	3.0
339.11441	4.3
340.10175	1.2
340.60263	1.3
341.10944	3.0
341.61011	6.1
342.10074	1.8
347.09296	0.8
348.10687	2.8
348.61005	1.4
351.07547	2.1
351.11636	0.7
355.09302	1.4
355.60660	0.7
356.11072	2.0
356.61105	1.9
357.11038	4.5
357.61453	1.7
363.10284	0.9
363.60617	0.9
364.11978	1.2
367.08630	0.8
375.05475	0.7
379.10648	0.9
381.10904	0.7
397.11267	1.0
477.10840	2.4
495.11844	17.3
513.12909	70.2
514.12976	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.3
52.18399	0.3
53.03953	1.3
53.49125	0.3
55.05512	0.4
56.85743	0.3
56.96569	0.4
56.97721	0.3
57.03435	1.5
61.02922	0.5
65.03938	0.3
67.05514	0.2
69.03429	1.7
69.07060	0.5
71.60918	0.2
71.61398	0.3
73.02921	2.5
79.05492	12.3
81.03434	0.7
81.07054	100.0
81.59975	0.2
83.04947	0.3
85.02917	3.1
85.06509	0.3
86.09702	0.5
91.05463	0.4
93.07050	0.4
95.04984	0.6
95.08599	0.5
97.02903	2.2
105.07031	0.7
109.02924	0.3
109.10168	0.6
115.03928	1.5
119.08588	0.4
121.06560	0.3
121.10191	0.4
127.03920	0.9
128.10719	0.3
133.05016	0.3
133.10136	0.4
137.05978	1.1
138.06241	0.4
145.04953	0.7
147.11703	0.4
159.15347	0.3
167.07050	0.7
183.13815	8.6
265.14325	0.5
364.98523	0.3
512.20081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01866	6.1
55.05495	3.4
57.03421	3.7
61.02906	5.4
67.05492	3.6
69.03416	6.9
69.07049	5.0
70.06565	1.5
71.04987	4.4
71.06952	1.8
71.60982	2.6
73.02904	2.8
74.02699	1.7
74.03223	1.5
79.05473	10.5
81.03384	4.1
81.07050	9.5
83.04984	4.5
85.02895	30.6
91.05466	14.4
93.07040	70.4
93.07627	4.0
94.35219	1.6
95.04958	5.7
95.08589	10.4
97.02883	7.7
97.06538	5.2
99.04458	2.4
105.07023	6.7
107.04951	3.3
107.08588	82.8
109.02886	4.9
109.06525	2.4
109.10183	3.1
118.56164	1.6
119.04937	5.0
119.08597	2.8
121.02866	14.8
121.06485	1.8
121.10048	1.7
122.03236	5.0
122.06038	3.1
123.04411	2.0
127.03905	7.5
132.49707	1.8
132.84178	1.7
133.10178	2.2
135.11687	81.7
137.05989	4.9
140.07036	2.4
143.10666	1.8
145.02837	14.4
145.04927	14.6
146.06017	2.3
148.07565	2.2
149.06010	2.1
150.27898	1.8
153.12723	12.8
161.05994	4.4
163.06006	5.4
166.05052	2.4
167.07072	4.6
176.04320	1.9
177.05478	19.8
178.05080	2.2
178.57648	1.9
184.39998	1.9
195.02896	3.1
203.03418	8.0
204.03749	6.4
206.04478	4.6
207.02945	3.1
207.10170	4.7
208.03232	1.9
215.03398	2.2
216.03784	2.2
221.04492	5.0
222.04790	2.5
233.04512	3.0
239.11864	3.7
241.07486	1.8
265.09695	3.8
267.11249	3.4
284.06451	3.5
287.13916	5.9
293.09235	2.9
294.05078	1.9
295.05945	18.1
296.06311	26.9
296.09564	2.0
297.07220	2.1
307.06009	6.6
308.06357	15.0
309.07339	4.6
310.08002	4.8
311.10110	2.4
321.07489	10.3
322.07910	20.9
323.08838	2.2
326.07303	2.4
327.13464	9.9
330.08374	3.0
333.07449	5.2
334.07938	9.0
335.08603	4.0
336.05988	2.4
336.09540	7.7
337.06473	2.6
338.07480	4.1
339.09857	2.7
345.07599	2.1
346.07895	13.3
349.07062	10.7
350.07397	30.8
350.11334	3.0
352.08972	2.8
353.11526	2.9
360.09448	4.3
361.07086	3.0
362.07336	18.8
363.08173	2.2
364.09039	6.9
371.12466	4.0
373.07062	2.6
374.07355	10.8
376.08923	2.9
378.10327	2.3
379.08078	6.3
380.08456	14.7
388.08914	5.4
391.08044	5.9
392.08386	29.0
392.12967	2.8
400.09055	3.9
402.10648	3.4
404.08444	4.4
409.08969	1.9
410.09537	10.9
416.08484	7.7
418.09998	2.8
422.09625	4.3
427.10120	6.3
428.10629	37.3
430.09906	3.0
434.09616	14.0
435.09851	2.0
446.09338	9.0
458.09467	7.1
464.10645	4.0
468.21222	7.8
476.10358	10.1
480.17438	2.7
494.11255	22.5
512.12659	100.0
512.18713	3.7
513.12946	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	512.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76933	0.7
53.03922	1.1
55.01859	1.1
55.05510	1.0
57.03435	22.4
57.07061	1.5
61.02917	8.5
65.03894	1.1
67.05502	1.8
69.03075	1.4
69.03426	22.5
69.07051	1.0
70.87241	2.1
71.01340	1.9
71.04982	1.0
71.40208	0.8
73.02914	49.9
81.03399	2.7
81.07035	2.9
83.04955	1.2
83.08612	1.4
84.04465	0.8
85.02900	34.5
85.06532	3.1
87.04472	1.8
91.03906	1.0
95.04923	0.8
95.08607	1.5
97.02888	38.2
97.23047	0.9
99.04441	1.7
101.06006	2.3
103.03956	1.0
103.05447	0.9
105.07005	1.1
109.02864	3.3
109.10142	1.0
115.03925	29.7
115.05421	1.8
116.06209	1.6
119.08601	0.9
120.93728	0.7
127.03909	12.0
128.06187	3.3
129.06978	2.4
131.04950	1.2
132.05678	2.1
132.06609	2.0
133.04948	8.5
137.05940	2.0
141.06940	1.4
142.07767	1.6
144.06541	1.2
145.04947	12.2
145.06065	1.2
145.06544	1.1
150.07616	6.5
153.05792	1.0
153.06953	5.4
154.07765	1.7
155.08557	6.1
162.07616	1.4
163.06012	2.6
165.06998	4.8
167.07080	1.1
168.05704	6.6
171.08028	6.1
175.58981	0.8
180.08687	1.6
181.06523	1.7
182.07295	1.8
183.08044	100.0
183.13847	2.1
183.17390	1.6
184.26112	0.7
185.09602	3.2
195.08099	2.4
197.09604	13.8
201.09111	11.5
201.14886	0.9
207.08073	2.7
209.09613	3.7
211.07529	1.3
213.08968	0.8
221.09579	5.9
223.05998	3.0
223.07814	1.4
223.11060	0.8
225.09120	5.6
233.09659	1.2
235.11198	1.6
237.09070	6.6
241.06950	3.6
249.09073	3.0
251.10773	1.6
259.08142	4.0
260.64008	0.9
261.09091	1.3
263.10706	2.3
267.10101	3.1
279.10150	4.5
281.11765	0.9
291.10181	2.4
295.10345	2.5
297.11188	4.7
309.11206	10.0
327.12271	7.4
387.00574	0.8
504.78421	0.8
530.00415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.5
65.03955	1.4
66.57915	1.1
67.05482	1.3
69.03428	1.8
69.07054	3.7
70.73252	3.9
73.02896	1.6
81.07042	1.7
85.02884	4.1
91.05487	2.6
93.07050	2.1
94.06562	13.0
95.08575	1.9
96.20779	1.4
97.02894	3.1
107.04969	5.1
107.08575	3.5
108.08130	1.4
110.06034	5.5
118.42928	1.3
120.04459	5.6
122.06008	14.8
123.04427	1.8
124.07574	1.7
131.08507	1.5
134.06006	2.3
135.11650	1.7
136.07584	2.4
137.05933	2.8
138.05495	3.9
140.07050	24.8
146.06007	14.0
148.07553	29.3
150.56476	1.3
152.07054	8.4
153.12766	3.3
154.08606	3.1
164.07103	2.7
172.03932	1.4
174.05536	2.1
177.05447	2.2
180.06572	3.2
180.91995	1.2
182.08171	1.6
183.13811	2.2
190.04997	3.5
192.06499	1.8
196.10007	2.2
197.10701	4.0
210.11516	1.7
210.98082	1.3
211.08612	4.5
211.12325	5.6
216.10153	2.1
223.08641	1.7
224.09560	2.9
225.10252	12.7
226.05884	1.3
226.10980	17.6
227.11746	3.2
234.07588	3.6
235.08714	1.5
235.12154	1.7
235.14293	1.7
236.09151	1.9
237.10165	14.1
238.11031	2.6
239.11772	44.8
239.14162	3.0
240.12518	4.8
244.09622	1.6
249.10550	2.7
250.11165	2.0
251.11736	8.3
252.08755	2.1
252.12555	1.9
253.09703	1.8
253.13483	3.2
254.10544	3.3
255.11188	2.0
261.12402	6.1
263.11795	2.8
265.09744	14.8
266.10712	1.6
267.11273	26.1
279.10776	7.1
279.13672	4.0
280.12006	2.2
281.12805	11.6
287.13873	60.4
293.09213	11.3
294.10025	2.4
295.10730	6.4
297.11963	2.5
298.13092	6.0
299.13879	26.7
305.15063	2.1
307.10583	2.8
309.12302	9.8
311.10309	5.5
311.13577	1.4
312.11072	2.3
313.11710	8.2
325.11816	9.0
327.13361	100.0
331.86172	1.5
335.10089	7.7
339.09641	11.2
353.11288	30.8
371.12338	17.6
389.09445	1.5
440.21768	2.6
450.19952	6.5
452.18240	2.1
466.20975	1.9
468.21280	52.6
480.17276	5.3
494.19183	19.6
512.19916	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.8
53.03933	9.2
55.01853	7.0
55.05506	21.8
57.03431	32.2
61.02927	28.7
66.37520	2.5
67.05506	43.5
69.03421	28.3
69.07059	20.9
71.04978	11.4
71.60683	4.7
73.02901	15.1
77.03899	2.6
79.05486	54.0
81.03415	27.7
81.07055	56.8
83.04967	7.7
83.08596	11.2
84.24153	2.5
85.02900	40.3
85.06543	12.2
89.05997	4.8
91.03928	16.6
91.05474	79.9
93.07036	62.5
95.04968	16.3
95.08594	48.6
97.02882	30.8
97.06529	11.6
97.10164	5.6
99.04454	9.0
99.08070	4.0
101.02374	10.8
103.03949	5.5
103.05513	3.7
105.07024	80.1
107.04925	9.4
107.08580	39.0
109.02826	13.3
109.06506	12.5
109.10155	19.2
111.04427	4.0
111.08098	6.4
115.03897	3.5
115.05465	6.1
117.07010	43.2
119.08568	64.9
121.06512	4.6
121.10159	22.8
123.08053	4.0
123.11705	7.2
125.09628	4.6
127.03921	16.2
128.06203	6.8
129.06985	29.8
130.07745	2.9
131.08548	56.9
133.10114	39.2
135.08054	10.1
135.11707	12.1
137.05978	10.0
137.09624	4.0
141.06979	7.5
142.07758	4.6
143.08568	21.3
145.04987	3.4
145.10117	60.2
145.34036	2.8
147.11661	29.5
149.09596	12.6
149.13261	7.7
151.07555	3.6
154.07755	4.2
155.08551	11.0
157.10126	23.8
159.08084	5.9
159.11687	50.5
161.09584	7.6
161.13274	13.4
163.11195	9.3
167.07034	4.0
169.10107	10.1
171.11703	18.1
173.09605	7.9
173.13280	28.6
175.14832	5.9
177.12831	6.4
181.09995	3.4
183.11671	12.8
185.13203	24.2
187.07504	3.6
187.11227	5.4
187.14824	8.1
189.12680	5.5
197.13280	9.2
199.14882	5.0
201.16264	5.8
203.14282	5.7
205.15881	3.9
209.13239	5.3
211.14836	3.8
213.16376	3.2
215.17874	4.4
219.17543	4.4
229.19559	9.2
239.17993	25.2
241.19652	2.9
255.06519	3.8
255.17447	3.4
257.18988	43.8
275.20050	39.8
283.06244	35.4
285.10468	3.9
293.21124	3.2
301.07367	8.6
310.90839	3.0
317.21106	3.8
324.08939	4.3
331.22623	11.8
349.23724	100.0
361.23654	4.7
373.23770	6.8
383.21991	4.9
401.23044	4.3
439.24786	3.8
457.25574	5.9
458.72726	3.3
475.26941	7.9
493.27716	10.5
511.24109	11.7
511.29044	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	511.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	6.1
56.05273	0.9
57.03424	3.9
61.02911	2.3
64.60188	0.9
69.03425	6.0
70.16817	4.7
73.02914	10.0
74.45622	0.8
79.05508	1.0
81.03402	2.0
81.07062	1.9
83.06097	100.0
85.02896	9.0
91.05494	1.9
93.17942	1.1
95.04959	1.7
95.08591	2.2
97.02873	6.8
105.07046	1.3
107.04949	4.0
109.02845	1.3
115.03910	7.0
121.06463	1.1
121.10135	1.9
127.03907	2.1
131.04996	1.6
133.04990	2.3
133.06458	5.0
137.05952	8.3
145.02739	0.9
145.04939	2.3
151.07530	2.1
159.08076	1.7
161.09625	2.7
165.09163	1.0
167.07030	5.0
171.08022	1.1
175.07425	1.2
215.10126	2.1
217.13348	4.0
222.60216	1.0
274.88202	0.9
287.12717	0.9
361.47873	1.0
379.18643	1.8
446.54572	1.1
476.68106	1.2
511.17224	1.7
511.24036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1421
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
53.06441	0.4
56.96546	0.6
57.89080	0.4
66.98243	0.4
69.03429	0.7
71.61945	0.8
73.02905	0.4
81.03426	0.6
81.07107	0.4
85.02900	1.3
97.02882	0.8
98.97560	0.5
104.79221	0.4
106.70196	0.5
119.01939	0.5
127.03879	0.6
131.01884	0.5
131.04890	0.6
136.30583	0.4
137.05969	0.5
137.31526	0.5
140.07057	0.5
145.03539	0.5
145.04909	0.4
149.05978	0.5
154.80818	0.4
173.02960	0.8
197.02946	0.4
237.02797	1.2
245.06378	34.6
263.06226	0.7
264.38120	0.4
378.52628	0.5
451.14929	1.3
467.15555	0.7
511.14194	100.0
512.14594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
56.05029	8.0
57.03436	3.4
61.02915	2.7
69.03425	6.9
69.95519	1.9
69.95914	1.4
71.04974	0.8
73.02505	0.6
73.02910	12.6
73.50441	0.7
81.03429	1.6
81.07058	0.7
83.06097	100.0
84.06424	1.1
85.02895	14.6
87.04461	1.2
91.03973	0.9
97.02879	10.9
99.04479	0.7
107.04939	1.1
109.02851	1.7
115.03917	8.5
122.05998	0.6
125.07119	1.3
127.03903	5.9
133.04950	11.1
133.06493	0.9
136.07530	0.8
137.06004	1.3
140.07060	1.1
145.04939	9.9
163.06026	4.1
164.07101	1.3
171.08124	1.1
175.07550	1.1
176.67232	0.7
191.11937	0.7
200.10764	0.8
201.09233	1.1
205.59456	0.6
215.10266	4.4
217.07227	0.8
217.13461	1.6
222.11115	0.9
223.06023	1.6
235.12334	1.0
236.08971	0.9
237.10246	1.8
238.10648	2.6
241.07022	1.2
248.09364	1.3
249.09869	3.4
250.10622	3.4
251.11670	3.8
252.12178	3.4
259.08157	1.3
263.11856	5.1
264.12186	8.1
265.09808	2.1
265.13303	7.1
266.10132	3.0
266.13733	11.4
268.11646	0.6
277.09750	1.7
278.10095	1.8
279.11359	4.3
280.11636	6.2
281.12534	0.9
282.13568	1.0
291.11499	0.8
292.11685	3.3
293.12769	1.9
294.13290	2.0
295.10577	2.6
295.13882	1.0
296.11160	2.6
297.12073	1.1
298.12784	1.8
309.12308	7.8
310.12656	19.0
311.13443	6.9
312.14233	1.1
319.10776	1.4
320.11035	3.7
337.11795	17.3
338.12167	41.7
339.12906	11.9
369.14447	3.5
370.14822	12.3
371.15677	3.3
379.89142	0.7
418.80136	0.7
479.19955	9.5
511.22720	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	511.1385
Annotation	(3R,3'R,4R,4'R)-rel-(+)-3,3',4,4'-Tetrahydro-7,7'-dihydroxy-4,4'-bis(4-hydroxyphenyl)-[3,3'-bi-2H-1-benzopyran]-2,2'-dione
Peak:m/z	Relative Intensity
53.93672	1.8
61.85366	1.7
68.99780	1.9
71.59336	1.6
71.59813	1.4
72.31264	1.9
74.00333	1.7
88.42798	2.1
91.05456	2.3
93.07059	2.3
95.04964	2.0
98.61993	2.1
105.07056	2.0
107.04929	7.8
121.02858	2.5
123.04424	7.0
134.03581	2.3
137.02307	3.7
141.07010	2.1
145.06584	2.1
147.04395	4.0
149.02353	5.0
151.03864	2.0
158.03662	2.2
169.06535	5.0
174.29909	2.1
184.05211	5.4
187.07559	2.1
193.04993	4.8
197.05977	7.0
203.18445	1.8
206.55602	1.9
212.04649	25.2
213.05508	9.4
215.07021	10.2
221.06062	1.8
225.05321	2.6
227.07043	6.9
241.05087	8.7
243.06575	5.8
255.06490	96.4
256.07211	9.7
271.06009	18.3
271.08572	3.2
287.07001	3.1
288.07864	3.5
289.08408	2.0
300.07785	2.8
315.06503	2.8
316.07324	19.1
317.07892	2.5
327.06622	6.9
328.06937	2.1
340.07156	2.7
343.05832	4.2
344.06827	22.3
346.08502	3.0
356.06680	6.9
358.08524	2.0
359.09161	28.8
361.10672	2.0
370.08405	3.1
372.06271	9.6
387.08612	62.5
402.10974	32.4
417.09879	2.8
448.09573	2.2
468.12048	2.9
480.12051	2.9
483.14401	9.0
493.12744	2.3
496.11505	4.6
510.33954	4.4
511.13831	100.0
511.34781	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35955	0.6
55.05508	5.0
56.70632	0.5
57.03452	2.8
57.07074	34.7
60.08140	1.8
61.02932	3.2
67.05503	9.7
67.35190	0.5
69.07063	7.6
69.52643	4.8
69.83112	0.6
71.07359	0.5
71.08628	26.8
73.02914	0.6
75.04464	2.3
81.07055	14.0
83.08144	0.9
83.08614	12.3
85.02897	2.8
85.10177	14.5
86.09703	5.5
89.06008	1.6
91.03952	1.2
91.05456	0.5
91.57492	0.5
95.08603	22.5
97.02892	1.4
97.10163	5.3
99.11703	1.2
103.07540	0.7
104.10739	9.3
105.07052	0.8
109.10141	11.5
111.11704	1.7
119.34135	0.5
123.11707	4.8
125.00003	2.5
137.13295	2.5
139.14796	0.6
151.14822	1.1
165.16438	0.9
184.07339	10.0
184.08942	0.6
187.48792	0.5
221.22588	1.1
237.26828	0.6
239.23689	25.7
257.24747	3.8
277.80087	0.5
297.55322	0.5
298.27396	2.2
313.27347	100.0
314.27737	2.3
331.28424	16.4
457.30322	0.5
475.32462	2.2
492.34555	1.1
510.35867	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.2
57.03439	3.7
57.07076	46.8
61.02930	3.7
67.05509	12.8
69.03422	2.6
69.07065	7.9
69.53982	3.3
69.54384	11.0
71.04968	1.2
71.08629	40.0
73.92779	1.2
81.07055	19.7
83.08617	13.8
85.02908	7.9
85.10185	22.1
91.03962	2.4
95.08602	34.7
97.02901	5.5
97.10185	8.3
99.11742	2.1
107.70509	1.2
109.10139	15.0
111.11700	2.0
123.11701	6.5
127.03933	4.7
137.13237	1.7
145.04993	2.3
151.14848	1.4
178.20018	1.3
239.23691	36.0
257.24808	3.4
298.27390	2.3
313.27359	100.0
331.28442	19.8
383.27924	10.3
401.29007	20.6
453.41226	1.4
510.33286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.0
57.07066	9.1
67.05498	28.4
69.07060	46.4
69.49433	9.2
69.49854	14.4
71.08630	7.1
75.39722	2.2
75.53250	3.3
79.05481	9.8
81.07050	90.4
83.08611	28.4
83.76300	2.8
84.78134	2.9
85.02911	8.6
85.06542	7.8
91.05481	2.8
93.07030	15.5
95.08598	100.0
97.10172	23.8
99.08108	4.9
105.07006	4.2
105.10777	2.4
107.08572	11.3
109.10146	59.6
111.11696	17.1
113.09630	2.8
119.08543	4.1
121.10115	12.6
123.11700	31.2
125.13262	7.6
129.12712	3.3
135.11707	10.0
137.13246	17.6
141.33154	2.5
143.14308	3.5
146.95178	2.7
147.11664	3.3
149.13263	18.5
151.14786	19.0
163.14838	9.5
165.16386	13.9
179.17958	7.0
183.17503	5.0
193.19637	3.0
205.19661	4.2
214.94995	2.7
219.21181	5.5
241.23901	2.3
249.25647	3.4
262.05618	2.4
267.26852	4.4
275.27280	14.0
280.12134	2.7
281.28351	5.7
293.28354	33.3
299.18396	5.1
311.29532	15.5
329.30460	3.7
340.27396	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21611	0.6
55.05492	1.0
57.07072	3.0
57.43293	0.6
58.06592	0.8
61.13235	0.6
65.03925	1.5
69.86017	2.9
69.86423	1.4
70.06590	10.6
71.08626	1.6
72.08135	2.0
81.07055	0.7
82.32578	0.6
83.49139	0.6
84.08147	1.7
86.09707	2.3
88.07618	2.2
93.07071	0.7
93.33417	0.6
97.27024	0.6
102.09132	0.6
121.02876	0.9
127.04010	0.8
132.10207	4.7
139.03889	1.0
146.11771	5.7
149.02338	44.4
149.03339	1.8
153.58066	0.6
177.32419	0.7
193.04959	47.9
212.23715	0.8
237.07567	61.4
238.25197	0.9
255.06465	1.5
256.26392	2.1
281.10248	1.9
300.28952	23.1
361.10681	1.8
387.08603	1.8
448.30518	2.6
453.02002	0.6
483.14511	2.4
510.34259	100.0
511.13828	2.2
511.34872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.4
57.07064	14.8
61.02895	3.1
66.70688	3.2
67.05499	29.3
69.03411	11.1
69.07068	48.6
70.64639	7.0
70.65008	5.6
71.04984	6.3
71.08621	5.8
77.31340	3.8
79.05486	13.7
81.03404	4.0
81.07051	100.0
82.07387	3.7
83.08617	35.6
85.02897	19.5
85.06528	9.4
88.64574	3.2
91.05463	7.2
93.07035	26.3
95.08601	83.1
97.06510	4.0
97.10152	20.7
99.08084	5.8
99.64166	3.0
105.06998	9.5
107.08578	24.3
109.10152	56.7
111.08053	5.9
111.11702	24.3
113.09637	3.3
119.08559	6.6
121.10133	18.0
123.11691	42.7
124.12025	4.2
125.13230	9.9
127.03938	6.2
133.10146	5.6
134.19655	2.8
135.11685	16.6
137.06017	7.3
137.13222	21.4
138.46468	3.1
139.14803	4.5
145.04956	5.4
147.11685	5.0
149.13243	35.6
151.14807	14.3
153.12708	4.2
163.06021	5.1
163.14803	19.8
165.16408	10.2
167.07053	3.3
167.14305	6.6
179.17963	7.7
193.19530	9.7
219.21123	4.0
249.25803	8.2
253.04979	3.9
275.27335	23.8
293.28412	68.2
311.29517	15.4
491.22653	5.8
509.10870	5.1
509.23099	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	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05500	20.9
57.07078	15.4
61.02902	2.7
67.05500	32.3
68.45956	2.3
69.03422	2.5
69.06717	3.6
69.07064	55.9
69.97768	12.0
71.04969	2.5
71.08621	9.0
79.05489	14.6
81.03396	6.1
81.07049	100.0
83.04967	2.4
83.08607	33.1
85.02888	16.4
85.06540	10.9
85.10213	2.8
91.05473	5.2
93.07027	17.1
95.04967	3.6
95.08598	99.2
97.02874	4.5
97.10174	24.6
99.04500	2.2
99.08073	8.0
102.04314	2.0
105.07007	5.5
107.04918	2.5
107.08574	15.5
109.02877	2.4
109.06548	2.4
109.10146	77.7
111.08096	4.3
111.11708	27.4
119.04842	2.6
119.08536	2.9
121.10137	14.1
123.04457	2.0
123.11699	42.4
123.78836	2.0
124.35959	2.0
125.13270	17.8
127.03967	4.2
127.11226	1.9
131.08575	2.6
133.10101	3.3
135.11696	13.9
137.05975	8.7
137.13251	32.5
138.27907	2.1
139.11099	4.8
139.14795	3.4
140.10594	1.9
145.04936	3.8
147.08098	2.1
147.11659	2.0
149.13222	16.3
151.03906	5.1
151.07628	2.2
151.14790	17.5
153.12814	2.4
155.14278	3.3
159.11633	3.3
161.06021	2.5
163.14796	6.2
165.16373	9.3
167.07018	9.6
167.14345	6.6
169.15904	2.8
173.13239	2.4
177.16354	5.6
179.17937	7.2
193.19566	4.6
205.19502	4.5
207.21027	5.1
219.21091	2.9
228.33929	1.9
237.28195	2.4
259.73730	2.2
263.27335	16.1
275.27344	29.0
275.40796	2.4
281.28418	25.5
289.05310	3.5
289.77322	2.4
293.28363	65.8
299.05493	3.2
311.29547	16.1
401.31223	2.7
491.15842	3.7
509.13086	4.1
509.23410	10.4
527.68964	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
54.94309	3.2
55.01886	3.6
55.05500	22.6
57.03413	5.1
57.07073	17.6
57.89042	2.9
67.05497	34.3
69.03407	10.3
69.07063	43.5
70.34782	9.2
71.08610	12.3
73.02914	4.0
79.05479	15.9
81.03416	7.9
81.07050	82.8
82.84733	3.8
83.04979	7.6
83.08614	38.9
85.02898	28.6
85.06543	17.8
91.05461	9.9
93.07039	33.5
95.04942	4.3
95.08601	100.0
97.02874	7.2
97.10168	25.0
97.10662	3.9
99.08068	14.1
100.11227	7.6
105.07010	11.1
107.04906	4.2
107.08596	32.6
109.10136	61.4
111.08019	6.3
111.11686	18.5
115.69035	3.5
116.98655	5.4
117.06969	5.3
119.08610	7.9
121.10143	20.4
123.11696	44.3
125.09618	5.0
125.13236	8.2
127.03889	8.3
127.11125	4.3
131.08504	6.3
133.10123	8.3
135.10745	4.3
135.11659	18.1
137.05959	8.6
137.13223	15.2
141.12694	5.6
143.08432	4.2
145.04930	6.0
145.10046	6.7
147.11636	7.4
149.13242	39.3
151.14803	10.9
153.12703	4.2
159.11638	4.1
161.09576	3.4
163.14799	16.1
165.09052	7.0
165.16368	12.7
167.06953	3.8
168.13753	5.6
170.15392	10.5
175.14743	3.8
177.16347	4.2
179.17870	11.5
182.15358	5.5
183.17551	4.3
193.19487	7.7
196.13383	6.7
198.14859	8.5
205.19670	5.1
207.21114	6.4
219.20996	9.6
249.25783	7.6
275.27347	28.7
286.12323	3.7
286.79416	3.6
289.05386	4.8
293.28363	48.9
311.29315	10.8
312.26382	6.9
347.22064	6.0
403.08417	3.7
496.98032	3.6
509.11719	4.9
509.23386	13.3
509.40460	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	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64133	0.6
53.03933	1.1
55.01857	1.1
59.80446	0.7
64.62209	0.7
65.03930	1.6
65.04535	0.7
67.05494	2.6
67.60838	0.7
69.03432	1.4
69.07056	1.4
69.69882	4.9
71.10717	0.7
79.05507	4.6
81.07052	2.3
83.04992	1.3
85.06536	1.7
89.03935	0.8
91.05466	15.8
93.07047	3.7
94.04193	3.0
95.04963	5.0
95.08606	2.1
101.11968	0.8
103.05444	4.5
105.07022	6.6
107.04954	8.2
107.08579	3.9
108.05727	1.6
109.06493	2.3
109.10182	1.0
111.04475	1.3
115.05453	4.6
116.06265	1.0
117.07004	5.2
119.04942	6.6
119.08577	3.4
121.06495	7.2
121.10110	1.4
122.03629	6.2
123.08073	2.6
127.03934	1.1
128.06215	2.9
129.07008	9.1
130.07817	0.9
131.04927	6.3
131.08539	2.5
132.05704	1.6
133.06485	2.8
133.10104	1.0
135.04419	1.8
135.08032	4.0
136.05174	2.3
137.05969	100.0
143.04909	3.3
144.05669	1.7
145.06494	3.4
146.03645	1.7
146.07262	3.5
147.04390	3.8
147.08035	2.7
148.05179	2.9
148.06334	0.8
149.05988	5.0
149.09616	1.4
150.06750	1.2
151.03923	2.6
151.07538	41.7
153.05516	1.3
157.06454	7.0
159.08067	2.5
160.05225	2.0
161.05972	71.6
161.09599	16.6
162.06711	1.5
163.07527	7.8
165.05638	1.1
165.07019	2.7
165.09082	5.3
167.07079	4.7
167.08409	1.3
174.06754	5.3
175.07532	25.0
177.06941	1.6
177.09145	7.7
178.07762	1.4
178.98830	0.8
179.07030	1.5
179.08536	2.0
181.06462	1.7
181.08597	1.1
182.07309	1.0
185.05934	1.0
187.07571	3.2
189.09099	34.9
191.07019	1.5
191.08557	1.7
191.10667	0.9
193.06549	2.1
193.08554	1.2
193.10155	1.2
194.07330	2.9
195.08128	3.3
195.10138	20.1
195.11847	1.7
196.08829	1.0
199.07466	1.4
203.08621	1.0
205.06519	2.8
206.07257	1.4
207.08170	2.8
207.10127	41.2
208.08777	1.1
209.06013	1.3
209.09709	1.0
210.06737	1.7
211.07500	2.2
213.09097	1.9
217.06584	1.7
218.07210	1.3
219.08052	3.4
219.10153	3.2
221.06010	3.1
221.09708	1.9
222.06796	1.9
223.07507	2.6
224.08322	2.7
225.09157	3.2
227.07031	1.8
227.10692	1.4
231.08037	1.0
233.06056	2.1
233.09654	1.5
234.06691	3.0
235.07556	3.2
236.08327	1.7
237.09059	5.5
238.06332	1.2
239.07069	1.6
239.10759	1.8
241.08701	1.1
245.09622	1.9
247.07552	1.9
248.08386	1.3
249.09116	5.6
250.06277	1.5
251.07076	2.6
251.10654	3.6
252.07811	1.2
253.08636	5.1
253.12323	0.8
255.06461	1.4
255.10243	2.0
261.09079	1.7
262.06161	2.4
263.07080	1.8
263.10840	1.3
264.07806	1.9
265.08575	11.0
266.09381	1.6
267.10135	4.7
269.08109	1.7
269.11911	0.9
270.08813	1.9
273.08884	1.0
274.09827	0.9
276.07681	1.1
277.08582	8.3
277.12216	2.3
278.09415	1.5
279.07245	1.0
279.10065	3.9
281.08051	1.9
282.08817	1.9
283.09613	4.5
284.10550	1.6
285.11203	9.8
287.12805	1.4
291.10214	2.5
293.08234	1.6
293.11694	1.4
294.08771	1.2
295.09760	4.2
295.12704	1.0
296.10349	1.1
297.11234	16.2
297.14282	1.5
299.12735	4.1
305.11639	3.0
308.10483	1.8
309.11157	5.9
311.12802	16.4
313.10745	1.9
317.13834	3.4
323.12869	6.0
325.14352	1.4
327.12326	2.0
329.13776	1.7
335.12976	1.1
337.14374	18.1
341.13876	2.7
343.15463	1.4
349.14355	4.3
355.15363	17.2
367.15356	8.1
369.10867	1.1
385.11276	0.9
403.15494	1.0
433.16684	1.4
435.17673	1.1
447.18063	1.2
459.18747	1.0
461.19321	2.3
465.18710	1.0
479.20798	5.3
491.20724	3.8
509.21735	10.0
509.34247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33188	1.3
54.54352	1.1
54.61825	1.2
55.01857	1.9
55.05492	2.0
57.03410	1.4
67.05486	3.0
69.03431	2.4
69.07066	5.8
71.04957	1.3
71.60473	1.9
73.02906	1.8
79.05468	5.5
81.03396	2.0
81.07036	5.1
85.02886	4.3
87.05582	14.3
91.05468	16.5
93.07018	3.3
94.04154	2.5
95.04967	2.1
95.08607	2.8
97.02892	2.4
102.17017	1.2
103.05444	4.1
105.07012	9.1
107.04961	6.1
107.08568	4.0
109.02868	1.5
109.06476	2.1
109.10100	1.5
109.27518	1.2
111.04431	1.7
111.11692	1.2
115.05466	4.3
116.98612	1.2
117.07036	2.6
118.04126	1.3
119.04962	6.7
119.08563	3.3
121.06493	5.8
121.10107	1.6
122.03621	6.1
123.04403	1.4
123.08044	2.9
123.11671	2.5
125.06020	1.8
127.03896	2.1
128.06155	1.6
128.98595	1.1
129.06985	7.0
131.04948	6.4
131.08519	4.0
133.02837	1.9
133.06458	2.6
135.04404	2.2
135.08032	3.4
137.05968	100.0
143.04892	3.3
145.04938	2.7
145.06453	4.2
146.03610	1.3
146.07291	2.3
147.04393	2.8
147.08014	2.5
148.05173	2.5
149.05949	4.0
149.09621	1.9
151.03896	2.7
151.07535	40.4
157.06473	6.5
159.08055	1.9
160.05174	1.7
161.05974	75.0
161.09619	16.9
162.06578	1.1
163.06303	1.4
163.07545	6.8
165.06966	2.8
165.09114	5.7
167.07092	5.9
174.06763	5.6
175.07533	25.8
177.06898	1.3
177.09138	5.0
178.07654	1.2
179.07109	2.2
179.08598	1.7
187.07446	1.9
189.07376	2.9
189.09091	42.7
189.12840	1.6
191.06963	2.6
191.10725	2.2
195.08214	2.2
195.10146	19.9
202.07616	1.4
203.08652	1.8
205.06496	3.0
207.10153	53.9
209.05840	1.4
210.06683	2.3
213.08940	1.6
219.08064	2.8
219.10152	5.2
220.08856	1.4
221.05948	3.4
222.06815	1.4
223.07538	2.1
225.09044	4.4
233.06015	1.3
233.09534	1.8
234.06749	2.4
235.07530	3.1
236.08252	1.2
237.09064	5.4
239.06886	1.5
239.10806	1.6
240.07881	1.6
245.09497	2.3
247.07483	2.7
249.02713	1.6
249.09082	5.6
250.06114	1.4
251.07001	2.0
251.10651	1.6
253.08548	3.6
255.06561	3.7
261.09064	1.8
262.09760	1.6
263.07062	2.3
263.10788	1.4
264.07632	1.5
265.08545	10.7
266.09213	1.4
267.10162	3.9
269.08026	3.9
270.08899	2.1
277.08530	7.8
277.12302	1.2
278.09412	1.6
279.09958	2.1
281.08139	2.6
281.11218	1.4
283.09665	4.5
284.10254	1.7
285.11282	7.6
291.10016	1.5
295.09573	2.9
296.10416	2.0
297.11169	19.1
298.12198	1.7
299.12674	4.4
305.11569	2.2
308.10318	2.8
309.11118	5.2
311.12778	18.2
313.10873	2.1
313.14139	2.0
317.13788	4.2
323.12781	6.3
325.14023	2.2
335.12949	1.7
337.14285	14.0
341.13763	2.4
343.15265	3.4
349.14444	3.6
355.15405	14.9
367.15588	8.2
435.18118	2.1
449.18839	1.3
461.18826	1.7
473.18948	1.4
479.20715	7.5
491.20633	2.7
509.21909	10.7
509.34604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01865	2.8
55.05495	3.6
57.03413	2.1
58.68845	1.2
60.67892	1.4
61.02925	1.9
67.05489	5.3
69.03417	13.5
69.07060	5.3
71.04990	2.0
71.60959	2.2
73.02914	2.6
79.05473	1.5
81.03413	9.7
81.07057	8.9
81.99952	1.2
83.04941	2.1
83.08628	1.7
85.02898	26.1
85.06556	1.4
87.00828	6.0
91.05478	1.9
93.07041	4.0
95.04947	1.5
95.08599	6.7
97.02872	7.4
97.10143	1.8
99.04446	5.8
102.47365	1.5
105.01850	5.7
105.07005	3.2
107.04946	1.8
107.08583	4.5
109.02879	9.9
109.10149	6.7
119.08569	2.1
121.10078	3.0
123.04346	1.7
123.08034	1.7
123.11703	3.0
127.03890	16.7
127.14471	1.2
128.06197	1.4
129.01825	1.6
131.08574	2.2
133.10106	2.4
135.11620	1.8
137.06007	1.7
145.04933	5.8
145.10130	2.0
147.11595	1.8
149.13225	1.7
158.07172	1.6
159.02869	4.4
159.11743	1.4
161.13307	1.6
163.14853	1.7
171.08070	2.2
186.06772	8.0
188.08386	2.5
189.09096	2.8
201.09088	100.0
214.10121	1.5
215.10652	1.7
225.09131	2.1
231.04955	3.7
243.10143	5.3
243.13785	20.6
261.14853	42.9
261.17612	2.6
267.13748	2.5
285.14713	3.9
293.28427	1.7
303.15710	2.2
329.30206	2.3
347.22141	1.8
465.23734	3.3
477.08893	2.8
493.08075	2.5
509.11615	10.9
509.23297	16.2
509.40701	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
67.05508	0.7
69.03419	0.5
69.70091	2.8
70.06567	0.5
71.04974	0.5
81.03396	0.5
81.07040	0.9
85.02899	1.1
85.22816	0.4
89.47166	0.5
91.05476	0.7
93.07055	0.5
95.08594	0.8
105.07005	0.6
107.04945	0.6
107.08586	0.6
108.04492	0.5
111.08114	0.4
119.08592	0.5
119.77742	0.4
120.28613	0.4
121.06514	0.5
121.10143	1.3
123.04462	0.4
127.03860	0.7
137.05942	1.0
138.05504	0.7
152.03433	0.7
160.03966	0.8
162.05562	0.5
167.07085	0.6
176.07086	0.8
178.05040	1.9
187.05038	1.2
199.08699	2.1
201.06616	1.6
201.10251	0.5
205.06009	0.9
211.08704	0.5
213.06598	2.6
213.10199	1.7
219.07741	0.7
225.06599	0.5
227.08127	3.8
227.11797	1.7
229.09781	2.0
229.13443	0.7
231.07654	2.7
237.10190	1.1
238.08687	0.5
239.08206	0.7
239.11823	0.7
241.09741	3.0
243.07782	0.6
243.11438	0.8
255.07677	5.7
255.11238	3.7
257.09180	1.1
257.12814	1.0
259.07303	0.4
259.10721	0.6
265.09790	2.0
267.07565	1.1
268.09592	0.6
269.09161	5.1
273.08667	4.2
273.12054	0.7
283.07498	0.7
283.10745	10.6
285.12283	0.7
287.10172	2.2
293.09146	3.0
301.11829	2.8
311.10263	25.0
311.76749	0.4
319.12744	1.6
329.11307	41.5
330.11777	0.7
347.12363	100.0
348.12799	1.7
377.23926	0.6
491.16339	0.6
509.16965	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
56.96569	9.5
57.03440	38.5
57.07081	11.3
61.02926	13.4
67.05502	41.8
69.03423	47.9
69.07066	22.2
70.05393	5.6
71.01351	5.8
71.02187	18.4
73.02907	85.1
79.05462	12.9
81.03409	17.1
81.07051	75.0
83.08611	22.2
85.02901	100.0
85.06537	25.1
89.13107	5.5
91.05474	10.4
93.07030	18.7
94.35901	6.0
95.08601	63.8
97.02882	85.9
97.10170	34.0
99.04477	11.2
99.08127	9.5
105.07001	14.3
107.08603	12.8
109.02875	12.8
109.10145	92.3
111.11734	7.8
115.03925	47.7
117.06994	8.8
119.08634	6.0
121.10170	14.0
123.04314	7.1
123.11694	80.7
127.03927	38.5
133.04974	11.3
133.10046	9.0
135.11702	9.8
137.13255	11.6
145.04996	32.3
159.11597	8.0
163.05989	7.4
172.61665	5.8
175.07484	5.8
179.17909	50.3
191.17960	8.6
197.18956	29.7
201.08508	6.2
209.18973	16.9
221.18864	7.0
241.07065	10.0
253.05003	6.2
259.08099	6.6
269.19043	7.0
359.24448	9.1
403.66937	6.7
508.29926	10.7
509.12152	12.3
509.22989	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04441	2.7
55.05509	14.3
57.03431	36.4
57.07060	4.7
61.02929	13.5
67.05503	21.8
69.03429	42.7
69.07058	19.3
69.86212	6.2
69.86639	12.6
71.01334	4.6
71.04973	5.8
73.02916	74.2
76.87689	2.8
79.05490	9.5
81.03400	11.8
81.07052	50.4
83.08614	16.3
85.02899	100.0
85.06528	12.6
87.04391	3.1
91.05464	4.6
93.07022	10.9
95.04977	3.1
95.08601	68.0
97.02280	5.5
97.02888	75.3
97.10155	31.7
98.20824	5.2
99.04424	5.4
105.07021	8.6
105.41089	2.7
107.08574	13.7
109.02860	8.1
109.09458	6.1
109.10154	91.0
109.10893	5.3
113.09646	6.5
115.03922	48.2
119.08569	8.7
121.10130	11.7
123.04425	6.9
123.11694	71.2
127.03910	21.1
127.11174	6.6
132.06563	3.9
133.04956	12.6
133.10133	5.1
135.11674	8.9
137.13245	10.7
139.11113	3.3
145.04927	20.6
145.10156	3.4
145.59016	2.6
147.11656	8.1
149.05916	3.2
150.07620	6.9
151.03802	3.6
159.11598	3.5
163.05951	5.3
165.08980	3.4
177.16289	3.8
179.17938	39.9
191.17934	9.8
197.18976	27.8
203.18015	4.8
207.17416	3.1
209.18948	14.1
215.18080	3.6
219.17380	4.4
223.05960	3.6
225.07312	2.8
234.27971	3.3
237.43417	3.2
241.07053	9.1
259.08093	5.0
287.20184	3.6
292.69507	3.0
305.21103	5.2
323.22089	8.5
334.81583	2.9
341.23468	3.1
359.24216	10.4
377.95502	2.9
385.83554	3.4
423.23108	4.6
465.24313	6.9
468.10480	3.8
482.70355	3.2
508.10950	6.3
509.23560	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	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01856	2.2
55.05500	17.5
57.03423	4.4
57.07063	7.7
65.03947	1.4
65.83999	1.2
67.05498	41.1
69.03423	7.0
69.07063	31.0
69.53403	12.4
69.53730	2.5
71.04993	3.9
71.08611	3.7
73.02908	2.8
76.76302	1.6
79.05482	19.0
81.03403	4.3
81.07050	100.0
82.07388	1.6
83.04979	3.3
83.08611	19.0
84.61308	1.3
85.02905	11.7
85.06536	22.7
91.05473	9.1
93.06454	3.0
93.07036	41.2
93.07620	2.2
95.04943	4.8
95.08601	95.0
97.02876	7.8
97.06535	3.0
97.10168	9.4
99.04445	1.7
99.08083	14.8
105.07003	12.4
106.07354	1.4
107.04958	11.2
107.08584	35.6
109.02867	4.1
109.06545	1.5
109.10146	60.0
111.04472	1.9
111.08060	7.0
111.11743	9.5
113.09663	3.9
117.06993	2.0
119.08562	9.4
121.06501	1.7
121.10137	30.8
123.08047	2.5
123.11698	39.5
125.09605	3.5
125.13278	2.6
127.03886	5.6
127.11224	2.1
131.08560	1.9
133.10135	7.2
135.04463	2.1
135.11678	21.9
137.05965	12.2
137.13231	10.0
139.11191	3.4
145.04922	2.3
145.10115	1.8
147.11670	6.6
149.06007	1.9
149.13245	37.2
151.07513	4.4
151.14795	5.6
153.05431	2.3
153.12720	4.3
159.11612	1.7
161.06024	1.9
161.13239	3.7
163.07475	2.8
163.14769	16.2
165.05376	1.6
165.09059	2.3
165.16455	2.9
167.07031	3.3
167.14323	3.5
171.13834	5.8
173.05861	1.5
173.13266	1.8
175.07454	2.2
175.14874	4.3
177.05392	1.6
177.16364	11.9
179.17867	1.6
181.15858	1.8
185.15378	5.4
189.09119	2.0
189.16370	4.2
191.17923	6.0
195.06555	2.1
195.17442	2.4
195.88414	1.4
203.17923	4.4
203.44543	1.5
205.19527	2.4
209.18982	2.9
213.10072	1.9
213.18491	5.7
217.19458	2.7
221.18903	2.4
223.20479	2.0
247.24295	2.5
253.08708	2.0
261.25714	3.4
265.25235	3.5
273.25757	9.4
279.26828	8.7
291.26794	44.4
297.27832	4.6
303.04993	7.6
309.27835	57.4
317.58450	1.6
327.28958	20.2
331.85602	1.5
338.96942	1.4
345.29843	2.1
357.13251	2.4
403.15021	2.1
507.24579	8.5
508.17661	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.6
55.05500	13.6
57.07063	11.4
60.63174	3.1
65.60644	3.9
67.05500	35.5
69.07066	36.1
71.08598	4.3
71.37014	7.3
73.04975	3.6
79.05466	23.9
81.07053	100.0
83.08609	16.9
85.02890	12.2
91.05486	7.9
93.07048	37.8
95.04964	6.2
95.08044	6.6
95.08602	88.8
97.02863	4.8
97.06493	5.8
97.10152	15.1
105.07008	14.9
107.08578	40.8
109.10149	54.8
111.08071	7.1
111.11705	12.0
119.08569	11.4
121.10118	27.1
122.10525	4.8
123.11693	29.0
125.13236	5.8
127.03909	5.7
133.10095	10.8
135.11697	37.9
135.20131	4.0
137.13203	18.6
147.11678	15.4
149.13268	28.8
151.14780	7.3
161.13333	5.2
163.14793	13.6
165.16380	7.4
175.14861	8.4
177.16342	17.3
178.16669	6.8
185.28989	3.2
189.16360	9.8
191.17920	7.5
199.38275	4.3
203.17947	8.0
217.19452	7.3
223.16895	7.3
224.17255	8.3
273.25778	29.2
291.26840	19.9
297.28027	4.1
309.27798	11.6
507.10391	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42932	2.2
53.94238	2.5
55.05508	17.9
56.88552	2.3
57.07065	11.3
62.83067	2.3
65.43007	2.4
67.05505	32.3
69.07068	37.0
69.42631	25.9
71.04991	3.4
71.08630	5.7
79.05486	16.3
79.49570	2.7
81.07056	90.4
83.08617	24.7
85.02902	8.2
90.57835	2.7
91.05471	8.2
91.71131	2.1
92.10478	2.3
93.07043	38.9
95.04961	3.6
95.08604	100.0
97.10167	18.4
105.07018	13.1
106.89592	2.4
107.08566	30.7
109.09450	4.3
109.10154	58.2
111.08052	3.9
111.11708	16.0
119.08572	8.6
121.10143	25.6
123.11711	36.0
125.13264	6.5
133.10118	10.9
135.11696	30.9
137.13252	21.6
139.11212	5.8
147.11702	10.3
149.13245	31.8
151.14806	10.6
153.12764	3.8
161.13264	6.2
163.14815	19.5
165.12721	3.0
165.16426	3.1
175.14841	5.6
177.16394	8.2
179.17888	3.7
179.72572	2.6
179.94540	2.5
181.15938	2.9
183.13861	3.2
189.16391	6.4
191.17924	9.4
203.17990	3.8
204.18776	2.8
205.19450	3.1
217.19519	6.6
223.20468	2.7
247.24179	5.1
250.23355	2.5
261.25793	6.8
273.25797	29.2
279.26819	7.5
291.26816	31.2
297.27881	9.0
309.27814	22.5
327.28839	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	507.3314
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.03922	9.1
55.05509	35.4
57.03429	11.8
57.07053	16.8
67.05498	86.5
69.03400	20.5
69.07067	40.4
69.33291	42.3
69.33710	14.0
79.05480	42.7
81.03426	33.5
81.07048	91.3
83.04980	6.5
83.08578	18.9
85.02888	24.2
87.04422	5.7
91.05478	46.0
93.07042	66.1
95.04959	13.9
95.08591	79.2
97.02863	18.4
97.06548	7.4
97.10156	18.4
98.21510	9.8
99.04395	10.5
105.07018	70.8
107.08575	63.0
109.02849	8.1
109.06508	5.9
109.10133	45.9
111.04417	6.3
113.92861	5.8
115.03922	7.9
115.05412	6.2
117.06999	18.7
119.08564	75.2
121.06504	4.9
121.10139	35.6
123.11675	15.9
129.06987	10.5
131.08553	50.8
133.08534	5.7
133.10098	46.8
135.11699	26.3
143.08551	24.9
145.10115	58.0
147.11668	39.6
149.13240	15.4
157.10094	17.9
159.11670	43.6
161.09679	6.3
161.13219	29.0
163.11241	5.0
163.14841	10.5
165.09174	5.8
169.10080	15.5
171.11679	16.0
173.13268	36.1
173.92311	5.0
175.14819	13.1
177.16325	7.2
183.11668	11.6
185.13237	11.7
187.14766	22.2
189.16339	13.9
191.17967	5.8
195.00261	32.7
197.00775	6.4
197.13231	6.4
201.16344	13.0
211.14661	5.2
213.16370	5.1
223.14590	5.1
225.16292	7.6
229.14313	6.3
261.21957	9.8
268.47971	4.7
285.21939	5.9
309.25488	7.1
313.27036	5.6
319.48215	4.7
325.25134	11.0
327.26807	41.7
343.26358	5.3
345.27759	17.9
369.27811	5.6
398.30270	5.9
435.28421	7.6
453.29837	15.1
457.83551	6.2
471.31125	31.3
489.31683	76.8
507.26547	6.8
507.33011	100.0
507.39871	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	507.2717
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05513	8.8
57.03426	6.4
61.40834	1.3
67.05500	31.9
69.07065	10.6
71.24458	3.4
78.18374	1.7
79.05491	20.1
81.07054	31.1
83.08614	4.7
91.05477	13.4
93.07035	24.3
95.04941	3.5
95.08599	21.8
97.06538	2.0
97.10200	2.1
98.98461	35.2
105.07029	10.6
107.08586	16.9
109.10131	11.2
116.99529	2.6
117.07019	2.8
119.08580	7.6
121.10136	11.2
123.08083	1.9
123.11681	5.5
131.08569	6.3
133.10109	6.4
135.11685	10.3
137.13277	1.9
142.51172	1.6
145.10112	4.0
147.11674	4.5
149.13260	3.6
155.01030	15.0
159.11722	4.9
161.13231	3.8
163.14809	3.7
173.02058	5.7
173.13225	3.6
175.14798	2.0
182.63153	2.0
201.16197	1.5
221.15466	1.6
232.31032	1.5
243.21149	4.5
247.05693	2.9
261.22070	11.3
317.24670	7.1
335.25778	100.0
471.25009	6.5
507.30447	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38264	0.7
53.03939	1.2
54.89716	0.6
56.50413	0.6
65.03918	0.8
67.05504	4.1
68.05015	0.7
69.03428	4.0
69.07058	3.7
69.32568	7.1
70.06573	2.3
71.05001	0.8
73.02882	1.9
79.05459	2.6
81.03401	2.3
81.07056	6.9
82.06564	1.3
82.32668	0.6
83.04980	1.2
84.08121	1.9
85.02900	8.0
91.05452	1.0
94.02911	2.5
94.06564	9.7
95.04942	3.1
96.08128	1.6
97.02856	3.3
97.06506	0.9
98.20772	1.4
105.06582	0.7
106.06526	1.1
108.08093	1.8
109.02888	1.3
110.06030	1.9
112.03957	11.8
112.07580	4.5
113.06019	0.7
116.04979	4.0
118.06530	1.3
122.06024	26.5
123.04395	2.8
124.07585	13.5
127.03888	1.4
134.05957	1.3
136.07561	1.1
137.05933	2.0
138.05493	1.8
140.07057	77.0
141.07799	1.1
142.08612	1.2
144.04428	9.6
146.05997	17.4
147.06728	0.8
148.07523	2.7
149.05948	1.2
151.03851	1.3
152.07062	2.2
154.08536	1.0
162.05487	7.3
164.07071	0.9
167.46771	0.7
172.03923	68.5
173.04303	0.9
174.05492	21.5
175.11710	0.7
176.07060	1.1
178.04974	1.2
178.08626	1.9
190.04974	17.6
192.06534	4.0
204.06546	100.0
205.07059	1.7
206.04376	2.1
206.08116	43.8
222.07610	2.2
239.11722	0.8
242.08325	0.6
268.09491	0.7
300.12247	2.0
302.12177	1.0
309.27969	0.7
313.11771	6.0
315.13443	0.7
318.31506	0.7
327.13373	2.1
331.12866	16.5
332.13333	0.7
334.09125	3.8
336.10718	2.8
345.14444	53.6
363.15445	4.0
366.11783	7.6
381.16513	1.2
415.15268	0.9
452.04105	0.7
457.15787	2.4
475.10440	0.8
475.17062	10.5
493.18094	2.4
507.19247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01870	3.0
55.05506	6.4
55.34720	1.8
57.03183	2.3
57.03434	27.7
57.07042	3.1
59.04995	3.1
61.02918	12.6
67.05515	11.6
69.03425	43.3
69.07065	9.6
70.07398	2.5
70.22784	1.8
71.01335	4.5
71.04982	3.7
71.63396	2.6
73.02915	52.9
79.05486	12.8
81.03398	7.8
81.07050	62.8
83.08612	5.4
85.02897	100.0
85.06546	2.5
87.04450	8.1
91.05460	4.5
93.07038	18.5
95.04935	2.7
95.08607	45.2
96.08929	2.6
97.02885	68.3
97.03515	4.4
97.10181	4.7
99.04445	4.1
103.03928	2.6
105.07008	8.6
107.08582	19.0
109.02879	10.0
109.10149	11.2
115.03928	40.5
119.08578	3.7
121.10133	33.4
123.11696	4.0
127.03908	31.4
133.04973	15.5
133.10123	5.1
135.11691	10.1
137.05954	3.9
137.13211	4.4
145.04941	42.0
145.09990	2.3
147.11708	4.1
149.05946	1.9
149.13237	4.9
150.07660	3.4
161.13182	3.2
163.06007	21.4
163.14827	3.0
165.09081	1.9
175.14798	2.4
177.16386	59.1
179.47429	2.0
195.17438	4.0
212.29659	2.4
223.06006	4.4
241.07054	7.6
241.12099	2.5
247.75993	1.8
250.20822	1.8
259.08069	7.7
291.27002	2.4
295.10315	5.0
299.11572	3.3
357.22656	3.2
482.48962	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.99722	0.3
57.03429	0.5
61.02906	1.5
65.68878	0.3
69.03413	2.0
70.56059	1.1
71.04991	0.4
73.02912	0.6
81.03397	0.8
85.02895	8.4
97.02871	2.2
103.05497	0.4
106.67181	0.3
109.02851	0.9
111.04420	0.4
115.05448	4.1
117.06968	0.5
119.04909	0.4
125.06016	0.4
127.03908	1.2
131.04916	1.3
133.06465	0.7
137.05957	0.4
141.06975	0.7
143.04913	13.2
145.04945	1.0
145.06483	0.8
146.03648	0.5
147.04399	1.4
149.05969	1.0
153.05444	1.2
157.06488	1.0
159.04364	0.7
160.05193	3.1
161.05956	10.4
161.07236	0.6
162.06619	0.3
163.07608	0.8
169.06470	1.4
171.04388	9.6
173.05896	0.5
175.07532	22.2
176.04718	2.0
177.05449	5.9
177.09006	0.5
179.07060	1.7
180.08623	0.6
185.06065	0.7
187.03929	0.4
187.07501	1.3
188.04706	0.3
189.05452	6.9
190.06279	0.3
191.07025	7.1
193.04982	0.4
195.06535	0.8
199.03952	0.6
201.05450	0.9
201.09035	0.5
203.07013	45.3
205.04948	0.8
205.08585	0.7
207.06635	1.7
212.04649	0.7
213.05600	0.5
215.07028	1.7
217.04953	7.0
217.08611	1.0
219.06534	2.9
221.08069	4.4
227.07016	4.6
229.08519	1.7
231.06519	6.0
235.06049	0.5
245.08078	4.9
247.05971	0.9
249.07565	100.0
250.07912	0.7
261.07550	1.4
263.09091	2.3
265.07108	0.4
273.07547	11.7
291.08624	6.4
309.09641	10.2
327.10959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36171	1.4
55.01875	7.8
57.03437	2.3
61.02911	2.2
69.03431	7.5
69.74524	2.1
69.74936	7.6
73.02920	7.2
81.03407	2.4
81.99027	1.6
85.02898	17.7
87.04473	2.0
87.07983	1.5
89.06018	7.2
91.05494	1.9
97.02873	6.9
99.04427	2.4
103.03955	1.4
103.05521	1.6
109.02882	3.7
111.04424	2.0
113.02358	1.7
115.05447	4.9
116.98647	1.6
119.04910	1.5
125.05999	3.1
127.03897	4.0
127.42690	1.5
129.06992	3.2
131.04930	6.9
133.08603	5.1
137.06027	2.0
141.06985	3.0
143.04921	15.2
145.02898	1.5
145.04924	2.7
145.06491	2.4
146.05949	1.4
147.04413	9.5
149.05988	14.0
153.05449	13.8
157.06511	7.7
159.04422	3.0
160.05211	6.1
161.05989	19.5
163.07582	6.2
165.05457	4.0
169.06477	6.6
171.04410	9.1
174.06746	1.6
175.03978	1.7
175.07552	40.7
176.04671	4.0
177.05461	72.3
177.11133	1.3
178.06055	1.8
184.05199	3.5
185.04573	1.6
185.05914	6.7
187.03883	2.5
187.07544	5.4
189.05463	18.0
189.09059	6.6
190.06346	1.5
191.07018	17.1
193.04939	1.8
195.06538	15.6
197.05968	2.5
199.03902	2.6
199.07475	3.4
201.05440	7.8
201.09074	3.0
203.05475	3.3
203.07027	62.9
205.04958	9.0
205.08615	6.2
207.06436	7.6
212.04646	7.4
213.05490	5.2
214.06262	3.6
215.07019	5.9
217.05104	8.6
217.08632	11.1
219.06532	23.8
220.09715	1.6
221.08086	13.2
222.05273	2.5
227.07031	50.8
229.08549	16.9
231.06522	28.4
235.05978	7.5
237.07642	6.2
241.04956	3.7
243.06612	1.8
245.08086	54.6
247.06044	4.7
249.07579	100.0
255.06564	1.7
261.07706	9.9
263.09103	11.8
265.07095	5.9
265.10727	2.2
273.07559	98.8
279.08646	3.8
291.08615	72.4
309.09686	60.9
327.10748	8.5
327.20068	8.1
506.20691	2.1
530.83417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85559	1.2
53.03935	2.5
55.01858	2.1
55.05513	10.4
57.03423	2.2
57.07074	6.4
59.04987	1.9
61.02921	1.9
61.77956	1.3
65.03944	2.3
65.07632	1.3
67.05158	2.1
67.05497	18.3
69.03419	11.8
69.07061	23.7
71.04975	4.4
71.08626	1.8
71.63287	2.1
73.02902	3.7
79.05485	20.3
81.03417	5.4
81.07050	100.0
83.04974	6.0
83.08610	6.2
85.02895	15.8
85.06541	9.0
86.09715	2.2
87.04472	2.3
91.03946	1.3
91.05465	15.2
92.05800	1.3
93.07040	33.1
95.04955	5.4
95.08599	52.3
97.02886	6.3
97.06528	5.5
97.10162	5.2
99.04447	2.2
99.08073	3.8
103.05472	2.9
103.49957	1.5
105.01874	1.8
105.07021	18.6
107.04945	2.2
107.08596	26.0
109.02875	3.0
109.06528	8.1
109.10144	44.4
110.10515	1.6
111.08062	4.6
111.11718	4.1
113.02237	1.4
115.03919	1.9
115.05423	1.4
117.07000	4.3
118.01642	1.3
119.08575	14.9
121.06510	2.5
121.10129	18.7
122.03699	2.1
123.04369	2.1
123.08077	4.0
123.11697	12.8
125.09614	1.9
127.03912	5.7
127.07546	6.3
127.11186	1.8
129.07010	2.3
131.04886	3.4
131.08600	6.9
133.06487	2.4
133.10118	11.8
135.08101	1.7
135.11681	35.4
137.05975	19.9
137.09666	3.3
137.13254	20.8
139.11195	1.7
143.08508	2.1
145.04962	2.6
145.10092	7.2
147.08052	2.0
147.11671	10.7
149.06015	2.8
149.09631	3.3
149.13252	9.5
151.07515	2.1
151.11188	2.1
151.14764	2.8
153.12740	7.3
155.10738	2.3
155.14310	4.6
157.10158	1.7
159.11623	7.8
161.05998	2.7
161.09557	2.1
161.13249	4.6
163.07529	3.0
163.11185	3.3
163.14810	2.6
165.09148	4.1
165.12746	3.5
167.07021	5.8
171.11656	2.3
171.13823	3.4
173.13222	3.8
173.15329	9.0
175.07570	2.1
175.14822	5.4
177.05458	3.2
177.12772	3.0
177.16341	3.1
181.04886	2.0
181.12166	1.7
187.14806	2.6
189.16338	3.6
193.15811	3.4
195.08015	1.4
199.29134	1.3
201.16356	2.2
203.06998	2.2
203.17926	4.4
207.06560	2.7
211.16920	6.6
215.18002	2.6
221.19017	2.7
223.13281	1.5
239.20061	4.7
243.35544	1.5
257.21097	2.3
261.09357	1.4
271.24188	6.8
277.08890	1.8
277.25070	2.7
289.25290	12.0
307.26324	19.6
325.27350	4.7
333.11212	1.9
343.28375	4.0
456.67056	1.6
487.17285	1.9
505.18784	6.4
505.31641	8.9
520.42914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40422	3.2
53.03936	5.4
55.05510	24.3
57.03668	2.8
57.07053	8.8
59.04997	15.9
67.05505	25.9
69.03414	11.7
69.07062	57.9
71.04987	5.5
71.63586	4.2
79.05487	19.4
81.07054	100.0
83.04993	5.0
83.08610	20.6
85.02892	13.2
85.06528	8.2
87.00817	3.7
91.05456	9.4
93.07047	48.8
95.04945	7.2
95.08603	98.3
97.06535	7.5
97.10161	10.2
99.08082	3.8
105.07016	19.1
107.08563	40.9
109.06493	5.2
109.09446	5.2
109.10152	63.9
111.08093	6.0
111.11727	10.9
111.20581	3.1
119.08549	20.7
121.10120	36.9
123.11713	35.2
127.03889	4.0
127.11229	3.5
131.08516	7.3
133.10107	14.1
135.11673	41.3
137.05957	4.8
137.09581	4.0
137.13245	34.2
138.56396	3.0
139.11182	10.7
145.10127	7.2
147.11679	17.1
149.13251	32.3
159.11685	9.2
161.13223	10.5
163.14799	11.5
165.16443	3.6
175.14828	16.9
176.15129	10.1
177.12868	3.2
177.16309	7.4
187.14796	6.1
189.16432	4.9
191.17827	3.6
203.17928	5.3
204.18188	3.3
205.19371	5.2
231.21097	18.0
249.22118	5.1
271.24365	14.7
289.25247	35.0
307.26288	36.8
325.27319	11.0
343.28217	4.6
505.20398	4.7
505.32654	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	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05501	21.5
57.03413	3.7
57.07059	7.3
59.04989	12.3
67.05497	31.2
69.03429	10.8
69.07066	49.6
71.04980	4.3
79.05495	17.7
81.03394	6.0
81.07053	100.0
83.08619	15.6
85.02882	8.7
85.06536	7.2
91.05462	10.9
93.07032	36.4
95.04951	6.8
95.08600	91.8
97.02870	4.6
97.06516	9.3
97.10159	8.9
105.01875	2.9
105.07024	20.7
106.07298	4.6
107.08591	43.1
109.06506	3.4
109.10151	52.2
111.11706	10.5
119.08595	20.1
120.08859	3.3
121.10133	33.4
122.50052	3.1
123.11707	31.5
125.09571	4.1
127.03919	3.6
131.08562	7.8
133.10115	12.0
135.11674	40.2
137.05992	6.8
137.09579	5.4
137.13245	36.7
139.11212	6.8
145.10120	5.2
147.11635	15.2
148.12003	3.2
149.13254	31.4
151.11212	3.1
151.14799	4.3
153.55946	2.6
159.11725	7.6
161.13249	9.3
163.14798	9.0
165.09177	3.9
165.35135	2.6
169.33731	2.7
173.13264	7.1
175.14812	20.5
176.15112	8.5
177.16306	8.8
187.14767	6.4
189.16409	6.3
193.15933	2.9
201.16338	4.1
203.18022	6.3
204.18243	3.0
205.19516	5.3
215.17940	3.2
231.21132	13.1
247.24135	4.2
271.23996	13.3
277.25220	5.8
289.25229	33.3
307.26291	30.4
325.27448	8.2
379.84592	2.9
487.31754	3.2
505.20065	6.3
505.32428	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	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44191	2.6
53.03939	2.7
55.01878	2.5
55.05508	13.8
57.03434	6.7
57.07068	9.0
59.04992	3.3
67.05504	34.8
69.03418	6.5
69.06768	2.8
69.07069	34.3
69.47779	25.1
71.04998	3.3
73.02927	15.9
76.47968	2.5
79.05490	25.1
81.07057	86.5
83.08631	14.0
85.02914	14.6
85.06548	7.0
91.05475	18.5
93.07044	46.6
95.04970	7.3
95.08605	100.0
97.02872	8.6
97.06534	4.4
97.10176	6.0
99.08096	6.1
105.07028	29.0
107.04959	5.0
107.08598	34.5
109.06506	3.9
109.10155	49.6
111.08083	3.6
111.11747	6.1
115.03917	4.3
117.07004	4.6
119.04902	3.4
119.08583	25.4
121.10141	31.5
123.08028	5.4
123.11705	22.3
125.09687	4.9
127.03881	3.4
131.08549	8.2
133.10110	27.8
135.08043	3.4
135.11700	29.1
137.05978	10.9
137.09596	9.1
137.13251	8.0
139.11218	4.3
145.04959	5.4
145.10136	15.1
147.11731	17.5
149.13243	23.4
151.14767	4.4
154.06210	6.5
155.10716	4.5
159.11740	12.2
161.13271	16.7
163.07529	6.3
163.11044	3.0
163.14812	13.5
165.09105	5.7
165.12633	3.5
168.62209	2.8
173.13275	6.8
175.14827	9.4
177.16376	10.0
179.14313	3.3
187.14915	5.4
189.16402	10.7
193.15889	4.3
195.10190	24.6
201.16365	6.0
207.17432	4.2
215.17937	12.1
220.78046	2.6
243.76701	3.3
245.22704	3.4
259.24323	3.7
271.24246	31.2
276.10535	3.3
277.25168	6.8
289.25177	35.0
295.40854	3.2
307.26337	22.4
325.14362	2.5
325.27298	4.2
336.25580	2.6
464.30960	2.6
505.21524	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	505.2643
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01855	2.6
55.05498	5.8
57.03439	11.8
61.02916	4.7
67.05486	5.2
69.03428	12.5
69.07074	9.9
71.34321	3.9
73.02915	23.5
79.05473	5.8
81.03409	2.3
81.07053	25.0
83.08598	4.9
85.02904	26.4
87.04453	2.4
91.05454	7.6
93.07048	15.3
95.04959	2.1
95.08600	25.3
97.02882	20.4
99.04449	3.0
103.05450	3.9
105.07026	31.9
107.04973	2.3
107.08580	25.7
109.02859	2.5
109.06522	1.8
109.10166	11.7
111.08130	2.0
115.03915	16.1
117.07013	1.7
119.08580	39.1
121.10118	9.4
123.11703	4.8
127.03892	6.7
131.08528	1.9
133.04950	5.7
133.10124	30.8
135.11665	10.1
137.05969	3.7
137.09598	2.5
145.04935	7.9
145.10162	3.2
147.11638	8.1
149.13240	4.8
154.06224	6.3
161.13208	1.9
163.06084	3.2
163.07520	7.2
163.14835	9.7
171.47839	1.6
173.13272	2.8
175.14821	100.0
176.38921	1.6
181.04727	2.1
193.04932	1.7
193.15892	26.8
195.10187	23.2
211.16965	9.8
223.05893	1.9
241.06998	2.3
259.08112	2.7
265.25446	1.6
271.24231	3.9
283.70624	1.6
307.26120	1.9
473.36838	1.9
505.22699	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13150	0.6
55.05507	4.9
57.03410	1.5
59.04977	1.5
61.02907	1.9
65.03912	1.1
65.31672	0.7
67.05483	2.8
67.32741	0.7
69.03425	6.4
69.07047	2.9
69.56061	4.8
69.56476	1.4
70.06574	0.7
71.04978	2.0
71.08626	6.9
72.08142	1.3
73.02899	1.6
79.05467	2.7
81.03397	2.3
81.07043	8.0
83.04982	4.5
83.08602	1.3
84.04485	1.3
84.08131	1.3
84.17046	0.7
85.02895	10.4
85.06523	1.0
86.06068	14.2
87.04465	1.0
91.05463	2.9
93.07048	4.3
95.04926	1.3
95.08600	5.3
96.08121	4.2
97.02878	4.7
97.06483	1.2
98.06030	1.6
98.09676	7.0
98.21445	1.2
99.04441	1.3
99.08083	6.7
101.06023	5.5
103.05443	0.9
105.07029	3.7
107.04932	1.0
107.08567	4.3
108.08096	1.4
109.02871	3.1
109.06494	1.7
109.10155	4.5
111.04443	4.5
111.08041	1.4
115.03828	0.8
115.05428	1.0
116.10719	27.6
117.06993	1.2
119.04821	0.9
119.08584	6.4
121.06493	1.1
121.10110	3.9
122.09653	1.0
123.08031	0.7
123.11697	1.8
124.07594	1.1
127.03908	4.7
127.11132	1.0
129.05475	2.5
131.04956	0.9
131.08553	1.0
133.10078	3.4
135.07993	0.8
135.11702	3.8
137.05952	4.7
137.09595	1.1
142.08607	6.9
143.10669	4.2
145.04886	2.1
145.10146	1.1
147.04422	0.8
147.06514	2.2
147.11671	2.2
154.15816	1.8
155.06990	1.9
159.11699	0.9
161.13203	0.8
162.12685	1.0
163.11159	0.9
164.10686	4.3
165.09137	1.1
166.15884	2.0
167.05643	0.8
167.07004	2.8
168.17395	1.0
171.11661	0.8
172.09604	0.8
173.08101	2.6
174.88638	0.7
175.07561	0.9
177.05452	0.9
178.15784	1.1
180.13744	1.1
180.60622	0.7
182.15353	3.6
184.13261	0.7
190.12260	2.9
196.17000	4.5
197.08107	2.1
198.14847	1.3
203.17972	5.4
208.13289	4.9
211.16893	0.9
214.17999	100.0
215.18265	1.5
219.30670	0.8
221.15422	1.0
221.18997	6.4
226.12128	1.5
226.14360	28.0
239.19997	1.2
244.15430	88.5
245.15814	1.3
261.13260	1.3
301.32068	0.8
307.26196	1.2
327.19424	0.8
342.22726	22.4
376.23291	11.5
388.19373	0.9
406.20670	8.7
486.27176	0.8
504.27951	5.4
504.35989	4.4
505.17227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54285	1.9
55.05505	2.3
56.96576	1.8
62.12544	1.6
67.05508	3.1
67.45195	1.8
69.03416	4.4
69.07053	5.1
69.81898	11.5
70.38086	1.7
71.04993	9.7
71.05315	1.6
79.05487	7.2
81.03421	2.0
81.07053	44.5
85.02895	6.7
87.00836	2.5
91.05485	4.3
93.07040	14.9
95.08601	12.4
97.02892	3.4
97.06489	2.4
99.08080	2.3
105.01864	3.4
105.07018	25.5
107.08588	16.7
109.10139	15.5
112.04542	1.6
113.92934	1.7
119.08576	56.8
121.06541	2.1
121.10174	3.8
123.11693	6.4
127.03885	2.7
127.11185	20.1
133.10103	11.4
135.11682	34.6
135.13971	2.1
147.11694	10.1
149.13225	4.5
152.53944	1.9
161.13220	5.2
175.14908	2.3
203.17955	46.2
221.18988	100.0
233.03395	2.0
299.57285	2.5
300.18350	1.8
318.52585	1.9
515.98761	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.1
56.96569	5.0
61.11810	2.8
63.48273	3.6
67.05499	5.9
69.03406	7.8
69.07069	7.3
70.16082	4.9
70.16493	9.6
71.04985	8.2
79.05511	7.2
81.03409	3.8
81.07058	53.2
81.62094	3.8
85.02894	15.5
87.00825	5.7
89.17410	2.9
91.05471	6.2
93.07036	20.9
95.08609	22.8
97.02906	5.8
99.04435	3.1
105.01847	8.1
105.07021	28.2
107.08584	20.8
109.02904	5.3
109.10145	22.0
119.08572	71.2
121.10118	6.1
123.11674	8.2
127.03899	8.7
127.04791	2.7
127.11160	23.9
133.10120	13.0
135.11691	36.9
136.90785	3.0
141.76758	3.0
145.04951	4.7
147.11699	16.6
149.13263	5.8
157.10103	4.7
159.05437	2.7
161.13252	6.9
189.37175	2.8
203.17941	51.2
204.04709	3.0
221.18999	100.0
259.12137	3.2
390.14145	3.6
504.21646	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65903	0.4
53.03944	0.9
55.05502	3.0
55.72327	0.4
56.96550	0.7
57.03426	1.1
57.07082	0.6
59.04989	1.3
59.54988	0.5
61.02924	1.0
61.07551	0.5
62.06073	0.8
64.88747	0.5
67.05484	1.7
67.74140	0.4
69.03419	2.5
69.07048	2.1
70.06581	0.8
71.04997	1.0
71.08630	4.2
71.59910	0.6
72.08140	0.9
73.02902	1.5
79.05471	1.5
81.03403	1.6
81.07050	6.0
83.04980	2.5
83.05389	0.4
83.08559	0.5
84.08119	0.8
85.02899	6.4
86.06055	3.3
87.00795	0.9
88.83258	0.4
91.05464	1.5
93.07027	2.2
95.04939	1.3
95.08589	3.2
96.08118	1.6
97.02908	2.5
97.06538	0.6
98.09681	3.4
99.04454	0.9
99.08083	2.6
101.06009	2.5
105.01847	1.2
105.03377	0.9
105.07015	2.9
107.04917	0.6
107.08582	2.0
108.08089	1.0
109.02831	1.1
109.10152	2.7
111.04420	1.6
111.08066	0.8
116.10717	12.6
117.07052	0.7
119.08569	4.4
121.06474	0.6
121.10118	1.3
122.09642	1.0
123.08086	0.6
123.11670	1.3
124.07594	0.7
127.03918	2.4
127.11219	0.9
129.05450	1.8
131.04921	0.5
131.08556	0.6
133.10094	2.2
135.11687	2.6
136.11209	0.6
137.05948	3.8
140.10600	0.6
142.08624	0.8
142.12238	0.5
143.10638	1.8
145.04967	1.5
145.10120	0.6
147.04420	0.6
147.06529	2.0
147.11678	1.6
149.13271	0.7
154.08548	0.9
154.15848	2.7
155.07019	1.0
161.13194	1.1
163.07544	2.3
163.14798	0.8
166.15904	1.7
167.07054	0.9
168.17361	0.7
173.08112	1.0
173.13327	0.6
175.14812	0.6
177.00664	0.6
177.05420	0.5
178.15892	1.3
179.07042	0.5
189.00537	0.6
196.16965	6.5
200.07806	0.5
203.17935	3.4
211.16986	1.1
214.18002	100.0
215.18379	1.6
221.15421	0.6
221.18948	3.1
226.14362	6.0
239.12794	0.9
244.15436	3.5
291.10632	0.6
324.21680	3.3
342.22736	19.1
376.23303	7.6
504.27689	1.1
505.18134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00657	1.4
53.03933	2.4
55.01865	3.3
55.05511	15.1
57.03431	4.9
57.07066	4.8
59.04988	5.4
61.02930	2.8
64.17325	1.5
65.97449	1.8
67.05505	12.5
69.03429	10.2
69.07068	100.0
69.59515	1.2
69.59808	11.5
71.04977	4.7
73.02892	1.7
75.89434	1.3
79.05482	11.5
81.03404	5.5
81.07053	38.5
83.04971	3.0
83.08613	5.6
85.02905	30.1
85.06543	4.5
87.04472	1.7
91.05467	18.1
93.07041	36.3
95.04971	7.1
95.08607	30.2
97.02885	8.4
97.06528	7.4
97.10173	3.7
99.04458	3.5
99.08082	2.5
105.07032	33.4
107.08588	19.7
109.02865	2.8
109.06494	4.3
109.10149	18.8
111.08070	4.2
111.11720	26.8
113.09624	1.9
113.23709	1.4
117.06990	3.0
119.08581	25.9
120.89096	1.4
121.10139	50.7
123.08101	2.6
123.11718	25.7
125.09568	3.2
127.03903	6.3
131.08626	9.7
133.10124	72.7
135.08070	3.5
135.11713	10.7
136.05589	1.5
137.05977	5.8
137.09641	2.8
137.13257	5.3
139.11174	25.2
142.07787	3.0
143.08522	3.5
145.04970	4.8
145.10135	13.0
147.11694	14.4
149.13289	14.7
151.11179	5.6
153.12691	1.6
157.10097	8.1
157.12244	3.0
159.11710	12.0
161.05951	2.4
161.13266	7.0
163.11163	3.2
163.14774	3.0
165.12781	2.7
167.10683	4.0
167.14359	2.3
171.11597	3.0
173.13263	4.9
175.11168	9.1
175.14824	5.6
177.12733	2.4
177.16319	4.5
183.68440	1.7
185.13260	5.2
187.14842	5.9
191.49698	1.5
193.15906	1.7
199.14764	3.0
201.05457	2.6
201.16345	2.8
203.17900	1.6
211.16913	2.0
213.16360	5.6
237.18422	2.1
253.89297	1.6
261.22244	1.9
265.32272	1.6
269.22650	6.9
275.23755	8.9
277.08649	1.4
287.23679	12.2
305.24799	17.5
323.25821	31.2
341.13699	2.0
341.26749	10.3
503.18524	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	503.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01857	3.8
55.05506	11.4
57.03424	3.8
57.07069	4.1
59.04978	3.8
61.02910	2.1
64.20914	1.8
67.05504	16.4
69.03430	11.6
69.07066	16.7
69.70570	12.4
71.04985	36.2
73.06552	3.3
79.05489	17.0
81.03403	5.5
81.07053	49.8
83.04942	5.4
83.05389	1.6
83.08610	7.2
85.02900	19.4
85.06535	4.5
85.59100	1.6
87.00826	6.8
91.05462	18.9
92.71307	1.7
93.06473	2.8
93.07040	39.9
95.04958	8.4
95.08599	46.2
97.02869	7.9
97.06519	5.2
97.10155	5.3
99.04472	2.7
99.08076	7.1
103.05476	2.3
105.01850	7.1
105.07024	66.2
107.04968	1.8
107.07862	2.3
107.08584	44.8
109.02881	6.2
109.06492	5.7
109.10146	28.0
111.08059	3.2
115.19867	1.8
117.07005	5.7
119.08564	22.5
121.06470	3.1
121.10145	27.7
123.08077	1.9
123.11712	12.9
125.08738	3.6
125.09620	45.4
125.10531	2.2
127.03922	11.6
127.07516	3.6
127.11142	5.9
131.08566	13.3
133.10123	100.0
135.08026	2.5
135.11630	8.3
137.05946	7.3
137.09598	4.2
137.10606	1.9
137.13167	2.4
139.11121	3.2
143.08652	3.4
143.10664	47.3
144.09241	2.3
145.04964	4.0
145.10115	19.2
147.04338	1.9
147.11671	31.2
147.30443	1.6
149.13242	33.3
151.11171	5.9
155.10664	2.5
157.10106	3.9
159.02730	1.8
159.11670	18.5
161.13261	10.5
163.07520	3.0
163.11183	4.9
163.14801	2.1
165.09068	2.2
167.07001	1.8
167.10625	3.3
167.14305	78.9
169.12338	2.3
169.58807	1.7
173.13217	5.6
175.14711	2.5
177.12778	2.5
179.34097	1.9
187.11165	2.4
191.17874	2.3
201.16345	18.4
203.17950	3.9
212.67426	1.8
219.17439	53.5
237.18542	9.8
287.23770	2.9
305.24686	5.2
323.25726	3.5
437.72885	1.8
459.22006	2.4
503.20865	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
53.10222	3.3
55.01861	7.9
55.05505	22.7
57.03426	7.7
57.07066	7.9
59.04985	6.6
60.78376	2.8
61.02905	7.8
67.05507	34.0
67.57414	3.1
68.99773	5.0
69.03076	4.3
69.03430	60.2
69.07053	28.1
69.96177	13.5
69.96606	6.6
70.06599	4.0
71.04988	30.4
73.02904	6.9
77.59901	2.9
79.05476	21.4
81.03427	23.2
81.07052	100.0
83.04970	9.4
83.08604	15.5
85.02895	48.2
85.06525	12.9
87.00814	18.1
91.05458	34.5
93.07043	88.0
95.04955	12.6
95.08598	74.2
96.49699	3.1
97.02912	21.0
97.06531	21.6
97.10161	8.4
98.20745	3.5
99.04420	7.6
99.08079	8.7
105.01855	13.5
105.07021	65.8
107.04938	3.7
107.08591	67.2
109.02852	13.1
109.06519	19.8
109.10152	49.0
111.04407	5.9
111.08076	12.3
111.11721	5.2
113.09633	3.7
115.03904	5.6
117.07005	9.6
119.07801	3.8
119.08584	55.8
121.06470	8.9
121.10145	44.6
123.08057	19.9
123.11696	33.1
125.09605	17.1
127.03921	32.3
127.11213	19.1
129.01857	5.8
129.06990	6.1
131.08568	27.4
133.06482	5.2
133.10123	74.4
135.08060	4.9
135.11665	30.0
137.05983	19.6
137.09625	19.6
137.13298	3.8
139.07515	4.4
139.11162	11.6
142.07765	3.6
143.08554	7.6
143.10652	5.7
145.04967	6.7
145.06441	4.0
145.10126	38.2
147.08043	3.8
147.11688	33.0
149.09624	10.5
149.13235	14.2
151.11183	33.6
153.09111	6.5
155.08569	3.1
155.10658	13.4
156.09312	3.1
157.10139	9.4
159.02893	4.8
159.11710	29.6
161.09613	8.4
161.13229	17.6
163.11131	7.0
163.14848	6.5
163.92592	3.9
165.09113	7.7
167.05566	5.2
167.10675	5.8
173.13292	18.6
175.07521	4.1
175.11215	7.2
175.14815	16.8
177.05516	5.1
177.09132	3.2
177.12761	6.0
177.16310	16.4
179.06915	4.6
181.10078	3.6
181.12219	6.9
187.14775	6.2
189.09038	3.5
189.16505	3.9
191.14297	7.9
191.17941	7.1
199.11197	5.0
201.16376	34.3
207.10141	8.3
219.17422	82.8
231.04926	3.3
235.17050	6.6
237.18494	46.0
238.23550	3.5
241.12393	3.8
244.39928	4.1
255.19505	7.1
259.13110	3.5
295.30963	3.6
299.06039	4.4
305.24774	5.0
323.25659	6.9
327.19363	3.4
329.12271	3.5
381.15189	3.4
399.28723	6.6
485.28748	5.9
503.31320	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1182
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03952	0.1
55.01864	0.2
57.03426	0.1
65.03925	0.2
67.05475	0.3
68.99786	0.2
69.03407	0.2
69.07061	0.2
69.36615	1.3
71.04972	0.2
79.05487	0.2
81.03411	0.1
81.07037	0.5
83.08624	0.1
84.23373	0.1
85.02890	0.4
85.06528	0.4
91.05463	0.9
93.07030	0.4
95.04956	0.2
95.08598	0.4
97.02885	0.2
98.20708	0.2
99.04388	0.1
105.03432	0.1
105.07016	0.4
107.08578	0.2
109.10115	0.3
119.04930	0.4
119.08556	0.2
121.02840	0.2
121.06506	0.1
121.10138	0.1
127.03924	0.2
127.11272	0.1
128.06224	0.2
129.07002	0.4
131.04958	0.2
131.08569	0.2
133.02844	0.3
133.10124	0.2
137.02325	4.1
137.05920	0.2
137.09521	0.1
143.08577	0.2
145.02829	0.7
145.10095	0.2
149.02345	0.2
153.06963	0.7
155.03345	0.1
157.06487	0.5
160.31210	0.1
161.06012	0.2
161.13297	0.1
165.07016	0.2
171.08041	0.8
181.06461	1.2
182.07167	0.1
185.05905	0.1
199.07535	6.7
209.05931	0.2
211.07420	0.1
217.19412	0.1
227.07004	3.5
237.05438	1.1
237.18463	0.2
255.06499	100.0
256.06836	1.0
287.05368	0.1
305.24792	0.1
376.99506	0.2
443.13925	0.2
503.11713	1.0
503.19086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.62000	0.3
55.01871	2.3
55.05515	0.3
57.03432	3.3
58.87122	0.3
59.04998	0.5
61.02923	3.5
65.42016	0.3
69.03423	18.0
69.91298	1.6
71.01340	0.7
71.04984	5.1
73.02901	2.2
81.03410	21.3
83.01310	0.3
85.02896	17.9
87.04438	1.4
91.03932	0.9
96.04412	0.3
97.02885	6.3
97.03497	0.5
98.04637	0.3
99.03819	0.6
99.04441	7.3
109.02853	2.2
117.05503	1.4
127.03897	3.5
133.07605	2.7
134.05998	0.7
135.09125	0.3
137.06018	0.4
145.04962	2.5
160.07542	0.5
161.07098	6.1
162.05470	0.4
163.08655	4.6
167.05592	0.4
177.06604	0.3
178.07358	0.8
179.08156	1.2
189.06570	5.5
191.08142	5.6
203.08124	0.4
207.07631	100.0
208.07848	0.8
208.09613	0.4
218.93736	0.3
219.07622	0.6
221.09227	0.8
229.09683	0.6
231.07617	0.7
231.11241	0.3
241.09798	0.3
247.60992	0.3
249.08821	1.6
287.10190	0.7
299.06082	0.5
305.11224	2.2
323.12354	31.9
324.12747	0.5
341.13406	96.2
342.13617	0.9
503.16580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.05512	11.0
57.03437	3.2
57.07094	2.8
59.05021	2.7
65.03946	2.2
67.05503	72.5
69.03419	6.1
69.07063	16.8
70.00621	3.7
70.01028	8.5
79.05486	27.2
81.03412	6.1
81.07055	100.0
83.04965	2.0
83.08612	7.6
85.02892	14.9
85.06544	2.9
91.05460	13.9
93.07040	32.4
95.04956	2.6
95.08604	82.1
97.02892	7.2
97.06502	3.7
97.10164	3.6
99.08073	2.6
105.07001	12.4
107.08585	27.5
109.10149	48.0
117.06996	3.5
119.08551	12.9
121.10152	28.7
123.11711	27.1
125.09669	2.3
125.83849	2.2
127.03948	3.5
131.08562	11.7
133.10143	11.9
135.11696	28.2
137.09653	2.8
137.13251	14.0
145.10132	15.1
147.11693	10.2
149.13234	17.6
151.11205	5.7
159.11694	8.5
161.13280	7.7
163.11346	2.2
163.14774	10.6
165.12787	3.4
173.13298	10.4
175.14793	3.7
177.12743	4.1
177.16402	5.1
179.14320	4.7
181.73718	2.2
182.05875	2.1
187.14835	9.8
191.14294	3.7
201.16368	4.1
205.15858	5.2
219.17531	3.0
243.21051	30.5
261.22113	66.4
269.65421	2.6
305.24783	2.5
323.25766	50.2
395.36618	2.5
450.93457	2.6
502.33118	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	502.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01865	1.5
55.05498	2.9
56.96552	1.9
57.03439	11.7
57.07068	15.3
58.39247	1.0
59.04998	97.0
61.02901	4.1
67.05488	2.4
69.03132	1.1
69.03429	14.5
69.06776	1.1
69.07066	12.6
69.54935	8.9
70.03401	0.9
71.01319	2.0
73.02910	22.5
73.50951	0.9
74.06049	1.1
78.08237	1.0
79.05482	1.3
79.19855	1.0
81.03404	3.1
81.07042	4.9
85.02414	2.0
85.02901	24.7
85.06519	1.6
89.06033	7.5
89.10071	1.1
91.05475	3.4
93.07051	2.5
95.04972	2.0
95.08580	2.6
97.02879	19.5
98.97572	1.1
99.04444	1.4
101.09675	1.6
105.07024	3.1
107.08581	3.8
109.02863	2.9
109.10181	2.6
115.03920	11.0
115.11201	32.8
116.98585	1.5
117.09118	1.9
119.04919	2.6
119.08551	1.5
121.10109	2.6
124.12054	1.1
127.03943	5.6
131.08582	1.1
133.04939	2.4
133.08565	2.0
133.10081	5.5
134.99652	1.3
135.11726	1.3
137.05962	5.2
137.09590	2.6
145.04953	5.6
145.10088	1.4
147.04419	2.1
147.11650	1.6
165.09077	1.7
167.07037	1.5
173.15349	7.4
175.03880	3.8
182.77077	1.1
191.16408	100.0
195.12247	4.1
207.06494	7.2
223.05995	2.1
255.77550	1.1
259.07996	1.4
260.85678	1.0
305.23123	12.5
323.24249	1.8
369.55777	1.3
458.21609	1.9
463.65619	1.1
502.23560	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	502.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18076	4.1
55.01854	4.7
57.03434	29.4
57.07072	20.7
58.83696	4.3
59.04996	98.4
61.02913	11.5
67.05506	4.7
69.03424	27.1
69.07060	10.4
69.66086	3.5
69.95684	25.6
71.01341	5.7
73.02914	62.3
79.05495	5.4
81.03399	7.7
81.07047	7.8
84.04592	4.4
85.02900	42.8
89.05987	5.1
91.05474	9.4
93.07024	7.6
95.04955	6.2
95.08610	12.3
96.08987	4.5
97.02908	43.8
97.06525	4.1
99.04439	5.9
103.05479	5.1
103.30692	4.6
105.07048	26.5
107.08608	7.4
109.06526	4.2
109.10154	9.0
115.03915	33.5
115.11189	30.2
119.08562	8.2
121.10041	5.5
124.05185	7.8
127.03887	16.8
131.04919	8.0
131.08543	3.9
133.04929	5.7
133.06473	14.4
136.25290	4.5
137.05965	50.1
145.04915	10.2
145.10146	4.9
165.09108	45.5
166.08597	4.8
173.09639	7.5
173.15297	6.6
176.09210	9.3
191.16409	100.0
201.05403	6.3
201.09189	4.9
206.10193	12.5
208.09776	6.2
208.13335	18.5
223.05942	7.4
244.71448	4.7
370.18549	17.9
416.23059	7.0
435.69562	4.9
458.24243	17.6
502.23224	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.0
55.05507	41.0
57.03435	28.4
57.07069	49.5
65.35236	4.2
67.05499	61.6
69.07058	71.9
69.27620	3.5
69.84436	23.7
71.04993	5.6
71.08626	32.3
71.92583	3.7
75.04472	7.4
76.47321	3.5
77.03894	2.9
79.05501	25.1
79.05872	5.0
81.07051	89.5
83.04974	7.1
83.08609	55.8
85.10181	19.3
91.05466	10.9
93.07028	28.6
95.08598	90.3
97.06519	15.6
97.10155	35.5
99.08102	3.7
99.11691	3.4
101.06002	5.3
107.08580	24.6
109.10134	43.0
111.08065	12.0
111.11726	15.4
113.05995	5.0
119.08556	11.2
121.06487	3.5
121.10116	34.7
123.11720	23.0
125.09641	8.5
131.07016	6.9
133.10107	10.2
135.11676	24.9
137.09637	4.2
137.13205	6.8
139.11163	9.6
145.10129	4.1
147.11650	4.5
149.13257	16.3
153.12766	7.6
154.17282	3.0
159.11700	4.5
163.14813	5.0
167.14305	4.7
177.16380	6.7
181.15833	5.0
191.17902	4.2
195.17456	4.1
199.16806	4.6
205.19489	4.8
307.29941	17.0
317.28516	16.3
325.30667	3.7
335.29358	28.5
371.31512	100.0
371.35965	7.7
372.31808	3.8
409.33121	56.4
427.34149	80.4
428.34335	4.6
437.30359	4.9
483.30640	10.3
483.36829	39.1
501.32120	8.6
501.38031	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
57.03436	15.2
57.07076	13.6
59.04998	100.0
61.02922	5.1
69.03432	17.2
69.07068	10.3
70.05814	5.8
70.06232	3.3
71.04980	1.9
73.02917	31.1
81.03423	3.9
81.07036	2.2
83.04966	1.7
85.02906	24.3
87.04482	2.3
89.06020	5.0
89.75345	1.7
93.07036	2.8
96.86697	1.8
97.02886	19.8
103.05442	2.0
105.07043	4.6
107.08603	2.5
109.02866	2.5
111.11705	1.9
115.03918	15.7
115.11204	32.2
117.09131	2.1
119.08605	2.3
127.03927	7.0
133.04930	3.3
133.06561	2.4
133.08594	3.0
133.10201	1.8
137.05984	10.7
145.04990	6.6
147.04500	1.9
161.05992	2.0
163.06010	1.9
163.07585	2.0
165.09097	11.2
166.08609	2.3
168.01575	1.8
173.15442	4.0
176.09300	2.5
177.05597	1.8
182.84155	1.8
191.16408	89.5
195.12244	3.6
208.13245	3.2
305.23172	10.1
323.24243	2.4
358.76111	2.1
370.18643	3.4
417.64090	1.8
458.24289	7.0
502.23376	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	500.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
57.07074	29.6
59.04979	0.8
67.05515	0.7
69.07072	4.3
70.62099	1.6
70.62471	1.8
71.08630	44.3
71.38306	0.7
73.06557	7.8
76.32831	0.7
81.07066	1.0
87.04465	3.8
89.06028	100.0
91.07603	0.9
93.07059	0.8
95.08582	1.1
105.06979	0.9
106.70499	0.8
107.07069	4.1
109.10187	1.0
111.11773	1.0
113.13240	3.5
117.09140	6.2
119.08613	1.0
122.78183	0.8
123.11662	0.8
130.08632	2.8
131.07045	1.9
133.08603	46.0
136.70229	0.7
139.28291	0.7
145.10136	1.1
149.13298	0.8
157.15874	6.7
161.11755	2.1
177.11217	21.6
177.12665	1.4
195.12325	1.3
198.18610	2.4
201.16617	0.6
201.18474	16.8
221.13908	3.9
239.14920	2.3
243.70952	0.7
245.21126	8.9
283.17612	2.8
327.20172	2.2
371.22708	7.5
395.30276	1.7
439.32910	2.6
483.35330	20.7
500.31512	1.1
500.38123	4.2
511.08078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1756
Annotation	Genisteone
Peak:m/z	Relative Intensity
51.53072	0.1
51.95279	0.1
55.01870	0.3
55.05523	0.1
68.99809	0.1
69.07051	0.2
69.79870	0.7
71.22172	0.1
79.37068	0.1
81.03382	0.1
81.07049	0.3
85.02882	0.3
90.20019	0.1
91.05469	0.2
93.06998	0.1
95.08584	0.2
105.07030	0.2
107.08575	0.2
109.10112	0.1
119.04942	0.5
121.02864	1.3
121.10139	0.1
137.02336	0.4
137.05986	0.2
141.01823	0.9
147.11671	0.2
149.02094	0.1
155.03407	0.1
165.01830	2.4
171.08037	0.1
171.11676	0.1
181.06522	0.2
183.02887	2.3
199.07462	0.1
227.06993	0.3
229.04955	0.3
237.05336	0.2
255.06450	1.0
261.90204	0.1
265.05090	0.2
283.06000	100.0
284.06335	2.0
339.12259	25.7
340.12680	0.5
443.22369	0.1
501.17734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
57.07053	3.3
62.83813	1.5
69.03419	3.3
69.07050	2.8
69.34045	8.8
69.34473	9.6
71.04971	9.0
81.03418	2.5
81.07026	3.3
83.08598	1.9
85.02887	8.9
85.48294	1.6
86.52452	1.5
87.00798	2.7
91.05472	2.8
93.07034	1.6
95.08604	2.7
97.02911	3.2
98.21521	3.2
99.04436	2.4
105.01865	2.1
105.07023	23.4
107.08582	6.3
109.02864	2.9
109.10144	2.7
119.08569	12.3
121.10157	2.5
127.03903	5.5
127.11198	5.4
131.08533	3.3
133.08618	1.6
133.10088	5.0
141.93875	1.5
142.07709	2.1
143.08554	14.7
145.04993	3.0
145.10106	9.2
147.11652	1.8
157.10098	14.1
159.11710	1.9
161.09636	4.6
171.11716	2.5
199.14804	39.0
217.15857	100.0
218.16223	2.7
219.78259	1.7
235.16904	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	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67385	0.2
66.04713	0.3
69.03425	0.4
69.45118	1.2
79.05480	0.3
81.07056	0.3
83.86022	0.1
85.02898	0.9
90.05542	0.3
91.05492	0.2
94.04194	0.8
95.04948	0.2
97.02876	0.6
104.07104	0.2
106.46616	0.2
109.02890	0.3
109.06461	0.2
119.04899	0.2
121.06483	0.3
122.03638	2.8
124.07613	0.2
127.03938	0.3
137.05962	100.0
138.06323	0.4
142.08603	0.2
145.02852	0.2
145.04991	0.3
147.04422	0.4
149.05978	0.9
151.07550	0.5
153.06966	0.4
163.07576	0.2
165.06947	0.2
179.07036	1.2
180.08598	0.2
181.06479	1.1
182.07288	0.2
184.09412	0.2
202.10767	0.3
204.08694	0.3
209.05960	0.3
213.09038	0.8
223.07428	0.2
225.09044	0.3
230.10225	0.2
234.12268	0.2
235.12607	0.3
241.08545	1.2
253.08600	0.5
273.11176	4.0
285.11209	2.1
303.12167	2.1
328.13794	0.3
364.15671	0.2
500.14279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23147	0.7
55.05508	0.8
56.76631	0.7
57.03423	1.1
67.05489	1.8
69.03429	2.1
69.07062	6.2
70.06603	3.6
71.10093	1.6
79.05478	0.9
80.05002	1.4
81.03417	0.9
81.07038	1.8
83.04970	1.8
85.02895	2.2
91.05482	1.8
93.07008	1.5
94.06565	8.0
95.04969	1.6
96.08084	0.8
97.02861	2.1
97.06477	1.2
98.06065	1.5
106.06539	0.9
108.04472	26.7
110.06001	1.3
110.07194	0.8
112.07590	3.4
116.98631	0.9
119.04932	1.1
120.08073	1.9
122.06015	30.8
123.04411	1.7
124.07594	2.4
127.03887	1.4
134.06003	1.3
137.06015	1.0
138.09077	1.0
140.07054	65.3
141.12711	1.2
145.04832	0.9
146.05998	40.5
147.04395	1.0
147.06784	16.5
148.07559	100.0
149.07890	1.0
150.05444	5.2
153.12897	0.7
157.08643	1.4
168.06548	39.6
170.08116	3.8
171.13786	3.1
173.04747	1.2
174.05508	6.6
189.14705	1.3
190.04942	1.6
191.05751	2.1
192.06593	1.2
269.12872	1.1
285.12332	1.6
287.13882	52.0
297.09283	1.1
297.12247	4.1
298.13156	2.9
299.10156	1.1
303.13580	1.4
305.14996	1.9
313.11789	4.0
315.13358	33.2
322.07864	1.1
331.12823	1.0
341.11353	3.1
352.08923	1.0
383.00085	0.7
427.09958	0.8
438.20187	6.8
456.21271	77.4
464.10242	1.2
482.11722	2.7
482.19189	9.9
500.19806	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
54.40516	1.3
55.01863	4.6
55.05260	1.6
55.05508	22.5
57.03436	21.6
57.07064	5.4
58.08102	1.4
61.02921	54.0
65.03952	1.7
67.05501	73.3
69.03424	31.0
69.07067	25.7
71.01339	4.5
71.04987	5.3
71.08635	2.0
71.61949	1.7
73.02911	23.5
75.04482	1.9
79.05486	22.6
81.03411	20.2
81.07049	71.8
83.04975	4.9
83.08609	17.5
83.31083	1.3
85.02901	58.7
85.06560	2.7
85.10154	1.5
87.04461	3.5
91.03950	37.5
91.05473	17.0
91.79455	1.4
93.07049	25.3
95.04960	6.3
95.08599	58.3
97.02883	50.6
97.06517	4.1
97.10168	9.0
99.04434	9.4
99.08090	4.2
101.02379	14.9
103.03922	11.1
104.10742	3.6
105.07013	13.5
105.11097	1.8
107.08590	16.6
108.43814	1.5
109.02871	10.3
109.06507	1.6
109.10146	24.7
111.04398	2.0
111.08082	3.9
111.11686	2.7
115.03922	4.9
117.05489	1.9
117.06998	3.0
119.08572	11.7
121.06522	2.0
121.10128	16.1
123.11722	14.9
125.09660	1.7
127.03903	24.6
129.05472	5.2
131.08557	5.9
133.10139	13.7
135.11720	8.3
137.09628	2.3
137.13251	6.1
145.04936	10.0
145.10144	4.0
147.11688	7.5
149.13246	9.2
151.11214	2.8
151.14807	4.7
159.11716	2.4
161.13232	8.0
163.11211	1.4
163.14804	8.0
165.12741	1.6
165.16341	2.5
173.13316	2.0
175.14830	6.5
177.16383	4.6
183.06558	4.0
184.07307	4.1
186.07759	1.8
187.14845	1.7
189.16287	2.2
191.14249	2.2
193.15977	1.5
201.07594	7.5
205.15947	2.2
217.15924	1.8
245.22661	11.3
261.22165	3.9
263.23703	26.0
275.23306	2.0
278.64682	2.2
303.23123	1.9
305.24600	2.7
317.24588	3.2
334.42972	1.5
337.27344	100.0
338.27454	2.0
347.25439	1.9
353.24670	2.0
365.26901	5.5
371.25696	5.8
379.28244	1.7
389.26764	2.5
445.29330	3.1
463.30209	4.1
481.31726	8.4
499.32599	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
53.73160	1.4
55.01865	6.7
55.05258	2.9
55.05507	33.5
57.03435	30.4
57.07081	7.3
61.02925	56.1
65.03928	3.6
67.05500	89.3
69.03425	37.3
69.06718	2.5
69.07066	37.1
71.01344	5.4
71.05001	7.3
71.08626	2.3
73.02913	30.0
75.04500	1.6
79.05045	2.9
79.05486	34.1
81.03410	23.1
81.07053	100.0
82.07388	2.1
82.50397	1.2
82.78140	1.4
83.04980	6.8
83.08617	23.5
85.02898	62.0
85.06527	4.1
85.10195	1.4
87.04483	3.2
91.03953	38.4
91.05481	24.2
93.07038	31.5
95.04968	7.4
95.08599	78.6
97.02883	47.7
97.06510	7.2
97.10154	13.0
98.20710	3.7
99.04455	12.4
99.08099	3.3
101.02379	12.0
103.03915	11.5
105.07019	23.0
107.05001	1.9
107.08588	25.8
109.02873	10.8
109.06506	4.7
109.10152	31.9
111.04465	3.5
111.08069	5.0
111.11718	3.5
113.09672	2.1
115.03922	6.6
117.05480	3.5
117.06997	4.3
119.08575	18.7
121.06477	2.9
121.10133	22.7
123.08067	3.5
123.11706	16.0
123.15154	1.4
125.09631	2.4
127.03908	22.4
128.02983	1.4
129.05458	5.6
129.06999	1.9
131.08595	7.9
133.10126	15.5
135.08041	2.0
135.11687	13.2
137.09608	3.7
137.13237	10.4
143.08513	2.3
145.04939	8.0
145.06401	1.6
145.10109	5.3
147.11671	11.8
149.09639	3.0
149.13234	12.6
151.14835	4.1
153.12743	2.2
159.06528	3.4
159.11710	3.4
161.09659	2.6
161.13239	9.5
163.14778	8.0
169.10098	1.6
171.11646	2.5
173.13211	3.4
175.14766	8.2
177.16420	1.9
179.14311	3.1
183.06551	6.8
185.09639	1.5
187.14861	3.3
189.16376	4.3
197.09541	1.5
201.07555	4.5
201.16354	1.6
233.15343	2.3
245.22661	15.4
259.16986	1.6
261.22214	2.5
263.23706	28.8
275.23547	2.1
303.23209	2.8
305.24677	2.6
311.23456	1.5
317.24783	2.3
329.24863	1.5
335.25848	1.9
337.27335	99.0
347.25885	2.3
353.24658	3.5
365.26855	6.9
371.25891	7.3
379.28632	2.5
389.26904	3.4
407.27911	3.5
445.29352	5.1
453.29733	1.8
463.30402	6.0
464.30621	3.0
481.31650	9.7
499.32654	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2691
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
50.21282	2.6
51.57546	3.2
53.03952	2.7
54.15799	2.5
55.01865	4.9
55.05511	8.2
56.96562	3.1
67.05503	19.1
69.03431	11.6
69.07066	30.0
69.49961	27.7
79.05489	11.0
81.03421	4.8
81.07059	14.5
83.04977	5.2
83.08628	8.4
85.02914	8.2
91.05479	14.9
93.07047	32.2
95.04970	12.4
95.08600	33.9
97.06540	4.7
98.21510	3.2
105.07045	19.3
107.04995	3.1
107.08583	13.5
109.06542	7.1
109.10178	12.5
111.08073	8.8
113.02431	3.9
116.98638	5.4
117.07016	4.1
119.04945	3.6
119.08582	16.8
121.06488	18.7
121.10147	15.1
123.08072	7.4
123.11751	4.9
125.05952	3.1
131.08586	7.2
133.06522	3.9
133.10139	10.9
134.99702	3.2
135.04527	2.7
135.08081	7.3
135.11743	3.8
137.06009	10.0
137.09660	3.9
139.07507	4.5
143.08553	6.0
145.10153	9.7
146.99634	4.2
147.04376	3.9
147.11717	13.3
149.06082	3.4
149.09633	6.8
151.07544	3.7
156.09358	3.0
157.06454	4.0
157.10152	12.4
158.99760	2.8
159.07971	6.1
159.11742	8.3
161.09686	3.4
161.13179	4.1
163.03920	4.2
165.09113	3.5
165.12752	4.2
167.08595	3.9
169.06387	3.2
169.10158	9.0
171.08069	3.2
171.11763	8.6
173.09657	6.6
173.13260	3.9
175.03914	3.6
175.07468	4.5
175.11269	7.0
177.00760	3.4
179.07127	3.4
179.08612	4.8
181.10197	4.6
182.10995	2.9
183.08127	5.4
183.11806	5.6
185.09685	5.9
187.07669	5.1
187.11229	9.0
189.54762	3.0
191.10736	4.0
193.12247	4.1
197.09711	8.3
197.13390	4.4
199.11224	3.3
201.09135	4.4
203.10736	6.1
207.11809	5.8
209.09679	3.5
209.13393	6.3
213.12640	3.9
215.10701	9.6
221.13133	3.2
223.11215	6.0
225.09154	7.3
225.12892	4.1
227.10721	6.0
229.12222	3.4
237.02888	6.0
237.12875	4.7
239.10632	5.0
241.12354	5.4
251.10753	6.5
253.16220	3.3
255.13910	3.3
257.12079	2.6
257.15457	3.8
265.12274	3.7
269.15280	4.9
277.15918	4.5
287.15222	5.3
291.17355	2.8
295.17163	7.1
295.58386	3.3
297.18475	6.4
307.17044	5.4
315.19806	7.5
318.69177	3.2
321.18515	6.9
323.16492	5.7
323.20056	3.3
325.18027	5.9
327.16171	3.7
333.18781	3.7
337.10745	8.2
337.17804	4.6
339.19461	3.8
379.18958	5.7
387.18112	5.6
388.62180	4.1
389.24921	12.1
391.26477	4.0
393.20328	4.2
399.23340	6.5
407.25842	8.3
413.18686	10.7
417.24203	32.6
427.23212	4.1
431.19659	12.6
435.25357	45.4
445.24008	12.9
453.26370	78.2
455.19809	5.5
463.24500	29.7
463.30173	2.9
481.25693	51.7
481.31448	3.8
499.12518	4.9
499.20486	6.3
499.27081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35585	0.5
55.01853	0.7
55.05488	0.7
55.25162	0.6
57.03435	1.0
64.64035	0.5
65.03933	2.4
67.05490	0.7
69.03425	2.4
70.06576	1.6
70.95833	0.8
71.00942	1.9
79.05502	1.4
81.03425	1.1
81.07055	1.0
85.02902	5.2
89.07141	0.9
91.05476	0.9
92.05006	3.0
94.06543	0.8
95.04955	0.6
96.08115	3.4
97.02872	1.8
98.21432	0.7
99.04468	0.7
105.07034	0.8
108.08105	1.3
109.02863	0.6
109.06497	0.9
110.06052	0.8
120.04477	0.6
122.06007	4.3
124.07606	4.9
126.09150	8.6
137.05969	1.5
138.05443	1.2
138.09125	2.5
140.07048	1.6
147.04366	0.7
147.09215	0.6
148.03889	0.9
148.07558	0.9
150.05484	2.0
150.09113	0.8
152.07054	29.0
156.92093	0.7
161.05962	0.9
161.13290	0.6
163.03905	1.2
164.03435	0.8
166.04991	47.4
168.06638	0.9
170.08145	1.0
176.03403	8.1
177.05487	0.7
182.04477	9.3
182.08180	0.9
184.09877	1.1
184.11366	0.8
187.11540	0.7
192.99405	0.7
194.04463	5.0
199.08623	1.1
200.10698	2.0
200.61797	0.6
212.09467	2.0
217.06747	1.4
217.13443	0.6
225.10236	1.2
227.08189	1.0
227.11784	4.1
228.10173	2.2
229.13298	1.4
233.09134	2.1
240.08955	2.6
241.09740	1.6
242.10341	0.8
243.11334	1.2
245.09219	0.8
253.09517	2.9
255.11295	4.0
257.09296	2.4
257.12790	1.3
259.07141	2.7
261.12262	1.5
270.10107	1.5
271.10739	8.7
272.09073	1.1
273.08826	1.2
273.12332	2.7
275.07382	2.0
277.58148	0.7
283.10748	43.6
288.11069	1.2
289.11761	6.2
293.08273	6.4
301.08408	1.5
301.11813	30.7
302.12305	0.8
307.05951	1.4
319.12860	100.0
320.13171	1.7
337.07355	2.7
337.13696	2.4
379.08350	10.4
391.08273	2.4
481.17532	1.5
483.35007	0.8
499.12753	2.6
499.19281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76561	0.9
53.03943	1.0
55.05492	1.0
57.03445	1.5
61.02919	1.7
62.04605	1.1
65.03931	3.5
69.03413	3.5
70.06573	2.0
70.15588	2.4
70.15984	2.4
72.08141	1.0
73.02925	1.4
79.05461	1.1
81.03417	2.5
81.07053	2.0
84.04466	1.0
85.02901	5.7
86.09706	1.0
88.03996	1.1
91.05455	1.1
91.60484	1.0
92.04980	3.5
93.07034	1.4
94.06568	2.3
95.04916	1.2
96.08112	3.5
97.02871	3.0
99.31522	1.0
105.07025	1.9
106.06572	1.7
108.08111	2.3
109.02859	1.4
109.06511	1.9
110.06039	2.4
122.06020	9.6
123.04412	1.1
124.07561	4.9
126.05461	1.2
126.09136	7.5
127.03907	2.5
131.04930	1.4
134.05989	1.5
136.07558	4.4
137.05954	2.4
138.05492	4.2
138.09154	1.4
140.07014	2.6
148.03862	1.4
148.07584	1.2
150.05487	3.4
152.07053	31.9
163.03938	6.0
164.07063	6.0
166.04987	39.7
168.06563	3.8
170.08141	5.0
176.03421	7.2
177.05542	1.2
182.04509	7.6
182.08147	4.1
186.07639	1.6
194.04497	4.8
200.10783	1.6
204.08730	2.3
208.09732	1.1
211.08578	1.2
212.09343	2.6
213.12212	1.1
214.12613	1.0
219.01700	1.6
225.10071	1.8
227.08098	1.3
227.11789	3.8
228.10179	3.0
229.13382	1.6
233.09262	1.4
237.02718	1.4
240.08778	2.8
241.09784	1.4
253.09727	1.2
255.11310	3.8
256.06641	1.0
257.09143	2.1
257.12839	1.2
259.07108	1.6
261.12207	1.9
270.09933	1.3
271.10718	9.2
272.08987	1.5
273.12253	2.2
275.07196	1.1
283.10751	33.0
289.11801	7.4
293.08221	5.0
301.11832	27.4
314.12119	1.4
319.12860	100.0
337.07208	1.6
337.13867	4.8
379.08368	7.8
389.21628	1.0
481.18002	2.4
499.12827	3.8
499.18912	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.1
69.03397	1.5
70.06585	0.7
70.41266	1.8
79.05467	1.2
81.03393	0.8
81.07025	1.5
83.04958	0.6
85.02911	3.1
85.03300	0.7
91.05484	1.1
92.04969	2.6
92.05534	0.6
92.43517	0.6
95.57695	0.6
96.08119	3.5
97.02835	1.8
101.52235	0.6
106.06513	0.8
109.06497	1.1
117.90439	0.6
121.02830	1.1
122.05974	1.7
124.07594	4.3
126.09158	8.2
137.05975	1.0
138.09117	3.1
140.07071	0.8
146.05869	0.7
147.04356	1.1
148.03891	1.4
150.05518	1.3
152.03461	0.8
152.07062	25.8
156.08112	0.8
158.09624	0.8
166.05002	51.7
176.03429	7.9
182.04491	8.9
194.04491	4.9
197.30226	0.7
198.07855	1.3
199.08679	1.6
200.10657	2.1
201.13901	0.7
203.03387	2.2
205.04933	0.8
209.10588	0.7
211.08710	0.8
212.09402	2.5
215.08105	0.9
215.25409	0.7
225.10220	1.9
225.61169	0.6
226.10994	0.7
227.08247	0.8
227.11780	4.5
228.10208	1.4
229.13306	1.8
230.08189	0.9
233.09203	2.8
237.10149	0.9
240.08746	3.3
241.09631	1.8
242.10550	0.8
243.11082	0.9
245.09192	1.2
245.12878	0.7
253.09766	3.5
255.11273	4.7
257.09247	3.5
257.12820	1.8
259.07150	2.4
261.12192	1.4
265.09518	0.8
270.10046	2.0
271.10806	9.1
272.09085	1.0
273.09238	0.6
273.12308	2.9
283.10754	39.1
288.10953	1.1
289.11810	6.6
301.11816	30.0
308.06738	1.5
319.12878	100.0
320.13174	1.7
321.07611	3.9
333.07648	0.8
337.13828	1.3
349.07077	3.4
351.08618	2.1
379.08212	2.1
430.72867	0.7
445.09415	0.9
463.10110	2.6
481.11362	4.9
481.18115	1.7
499.14096	23.3
500.14447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	3.7
55.05505	6.9
57.03428	2.5
57.07066	1.0
58.99569	3.1
61.02909	1.7
67.05500	12.0
68.72066	0.8
68.95469	0.7
69.03429	3.9
69.07061	7.8
69.67080	5.8
71.04974	7.5
73.02910	1.9
73.06541	1.1
76.02219	4.5
79.05492	5.4
81.03412	1.6
81.07049	31.8
83.04961	3.5
83.08613	9.1
85.02896	9.0
85.06532	9.7
85.21268	0.8
86.99051	1.9
87.04430	0.8
88.03979	1.4
91.05470	9.6
93.07039	11.3
95.04974	1.2
95.08598	43.7
97.02924	3.7
97.06525	13.6
97.10176	5.8
99.08089	7.5
101.06049	1.4
105.00076	3.9
105.07016	14.3
105.92775	0.7
107.04894	0.8
107.08578	5.5
109.02873	1.0
109.06504	1.1
109.10178	3.6
111.04442	0.7
111.08041	2.8
113.09618	2.0
115.03963	1.1
115.07531	2.3
117.07010	1.0
119.04927	2.4
119.07780	1.6
119.08571	18.9
121.02862	8.8
121.10127	6.3
122.02700	5.9
123.08057	3.7
123.11671	2.2
127.03921	1.0
127.07557	0.8
133.10114	15.3
135.11676	10.2
137.09613	1.3
137.13242	10.0
141.09073	1.9
145.04973	1.2
149.13225	2.4
151.11156	2.1
159.04282	0.7
161.13243	51.4
163.03969	1.0
167.14304	1.6
171.11647	0.9
179.14299	38.7
189.01755	1.3
195.02898	2.2
197.15358	29.5
203.03401	4.3
207.02747	1.5
211.09599	1.0
215.03386	2.8
215.16412	8.8
217.05035	1.3
221.04506	1.4
229.12563	3.1
233.04408	1.2
238.45792	0.8
243.02773	0.9
255.02644	0.8
255.14168	1.0
273.15176	2.8
278.14389	0.9
279.06396	1.1
282.74454	0.8
283.05954	0.9
293.07895	1.3
294.05173	1.5
295.05972	13.0
301.14609	1.7
305.07950	1.4
306.08765	1.0
307.06039	8.6
308.06689	1.1
309.04312	1.1
309.07535	3.3
317.08096	1.4
318.17346	2.4
319.15698	31.1
320.06961	0.9
321.07510	9.1
323.09262	1.9
325.07053	5.1
329.08008	1.6
333.07532	7.3
335.09253	4.0
336.18356	100.0
337.07062	4.8
337.18704	1.1
345.07526	5.6
347.09052	1.9
349.07077	9.1
351.08420	1.6
359.09073	1.2
361.07086	7.4
363.08594	3.1
367.07944	2.3
373.07083	5.9
375.08524	3.4
377.09988	0.8
379.08163	13.2
387.08649	2.7
389.10315	1.3
391.08081	11.0
393.09628	1.4
397.09119	7.5
399.08310	1.7
403.08109	2.6
409.09180	7.2
414.19379	1.0
415.08307	2.9
417.09622	2.5
421.09171	1.8
427.08109	1.2
433.09055	6.1
445.09085	7.2
451.09848	2.3
463.10233	11.9
481.11267	26.4
499.12271	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	497.1418
Annotation	CHEBI:67641
Peak:m/z	Relative Intensity
51.83355	0.7
55.05506	0.9
56.96556	6.2
57.03424	0.8
66.65256	0.6
66.84116	0.6
67.05508	1.4
67.11152	0.6
69.03410	1.2
69.07061	1.5
71.61219	0.8
73.02908	1.4
78.45524	0.6
79.05475	0.9
81.03396	1.0
81.07047	1.8
83.00243	0.6
83.04954	1.0
83.08611	0.8
84.96018	2.4
85.02908	1.3
85.06563	1.1
90.84956	0.6
91.05473	1.2
93.07024	0.7
95.04942	1.1
95.08581	1.0
97.02883	1.3
98.97580	10.6
105.07008	1.6
107.04945	1.6
107.08573	1.3
108.53116	0.6
109.06517	0.8
109.10136	2.5
110.97560	1.9
111.11710	0.7
112.99122	1.1
113.21766	0.6
116.98618	7.3
119.08566	1.2
119.44181	0.6
123.11694	0.8
125.06027	0.7
127.02776	0.6
127.03904	0.7
128.97789	0.6
128.98593	4.2
131.00154	2.4
134.99629	4.5
135.11670	0.9
137.05984	4.8
143.00143	2.3
144.98093	0.6
145.10126	0.8
146.99651	4.7
149.01212	2.0
149.05977	0.9
153.01730	0.7
153.05447	1.1
158.99649	3.9
161.01169	5.4
162.99156	0.6
165.00757	0.9
170.99663	1.1
175.07448	0.7
177.00694	5.6
179.02245	1.2
185.01175	1.2
189.00711	3.0
200.02277	1.3
201.00735	1.8
203.02228	2.0
207.01656	1.6
213.18443	0.7
219.01729	7.9
224.03505	1.1
235.17780	0.7
237.02818	12.6
243.01747	0.7
245.03398	1.2
255.03975	1.0
289.05099	0.7
303.04865	1.4
322.22314	0.7
333.04779	1.8
351.06018	2.8
365.09164	1.8
383.10150	4.9
411.20001	0.9
453.20944	1.8
467.18936	1.4
497.14081	100.0
497.19958	9.0
498.14285	2.6
515.14038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.96564	4.8
67.05495	1.6
69.03442	0.7
69.07042	1.3
71.60707	0.9
71.61078	0.8
81.03396	0.7
84.96030	1.7
85.02901	0.9
91.05422	1.0
93.07052	1.0
95.08557	1.2
97.02910	1.0
98.97581	8.0
102.97109	0.7
104.68060	0.7
105.07028	0.9
107.52675	0.7
109.02898	0.9
109.06499	1.1
110.97569	2.5
116.98643	5.5
119.09508	0.7
121.10189	0.8
127.03918	0.9
128.98592	3.9
131.00175	0.9
134.99646	2.8
135.08124	0.8
137.06001	2.9
137.09494	0.7
140.00186	0.8
143.00162	2.2
146.99661	2.8
149.01198	0.9
149.05940	0.8
158.99683	2.6
161.01204	3.4
165.09167	0.8
170.99678	1.2
175.07596	0.8
177.00734	4.0
185.01178	1.3
189.00787	2.7
201.00801	1.6
203.02307	2.0
219.01778	6.3
237.02823	11.1
245.03442	0.9
255.03793	1.0
271.09760	1.2
273.02985	0.8
303.05099	1.1
333.04941	1.5
351.06033	2.3
365.09167	1.4
383.10260	4.2
497.14175	100.0
497.19604	4.3
498.14255	2.5
515.14740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01858	0.9
55.05492	3.0
57.03440	3.8
59.04993	0.8
60.03699	0.6
61.02919	1.5
63.54457	0.5
67.05505	9.1
69.03417	1.4
69.07067	5.2
69.38517	5.7
71.04983	1.4
73.02929	0.9
74.04630	0.6
79.05489	4.5
81.03436	0.8
81.07053	26.6
83.04975	2.2
83.08612	2.2
85.02895	2.7
85.06531	2.0
91.05478	10.4
93.07041	4.3
95.04964	1.5
95.08600	6.7
97.02891	0.8
97.06525	4.1
99.08074	1.9
105.07024	11.6
107.04962	1.2
107.07900	0.8
107.08577	5.6
109.06523	2.6
109.10162	0.9
111.08036	0.7
115.07555	0.8
119.08581	9.3
121.10126	8.0
123.08027	1.3
123.11709	9.4
127.07540	0.6
129.07010	1.3
131.08556	1.5
133.10112	5.2
137.13246	1.8
137.30997	0.6
141.09047	0.7
147.11679	37.3
148.11984	0.6
149.09528	0.6
157.10115	3.7
165.11369	1.2
165.12755	22.3
167.06960	0.8
167.73175	0.5
175.11136	4.0
186.64839	0.6
188.10716	1.1
193.12244	9.1
197.15404	4.4
225.14809	3.0
229.14230	1.4
243.15900	3.5
267.15939	7.6
268.50858	0.6
285.16949	1.8
299.18518	100.0
300.18729	1.8
333.78534	0.6
334.20117	0.9
399.26752	0.6
459.73456	0.6
461.23563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05494	0.5
56.05036	1.3
57.03424	0.7
57.06784	0.2
57.07072	3.4
58.06570	1.4
59.07388	0.3
60.08161	16.8
67.05498	0.9
69.07067	0.6
69.54098	0.5
69.54514	1.2
70.06575	0.2
71.07369	5.6
71.08629	2.0
80.54393	0.2
81.07047	0.8
83.08611	0.5
85.10191	0.9
86.09702	50.8
87.10046	0.2
95.08600	0.9
97.10163	0.3
98.98465	3.3
104.10738	100.0
105.11063	0.8
109.10151	0.4
124.99997	27.9
135.46468	0.2
136.84909	0.2
143.01047	0.4
144.17989	0.2
163.01544	0.8
166.02704	0.2
181.02574	0.3
184.07330	97.3
185.07686	0.6
240.09933	0.2
258.11029	1.1
313.27380	2.3
339.31158	0.2
419.25504	0.3
478.32925	9.4
479.32889	0.3
496.33969	38.2
497.34204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
55.05502	2.9
57.03433	3.9
61.02916	2.2
67.05493	9.1
69.03419	3.2
69.07056	4.5
70.40989	2.7
71.04996	1.4
73.02903	1.3
79.05485	6.1
81.03416	1.9
81.07050	31.6
83.04978	4.8
83.08616	3.9
85.02902	3.8
85.06511	2.4
91.03896	1.1
91.05475	10.7
93.07026	5.7
95.04958	2.9
95.08602	9.6
97.02882	2.7
97.06519	3.2
99.08091	2.5
105.07034	13.3
105.16706	0.9
107.08586	6.0
109.06493	2.1
109.10171	1.9
111.04400	1.1
115.45956	1.0
119.08575	11.9
121.06617	1.0
121.10121	9.4
123.08072	1.7
123.11696	10.6
125.05965	1.0
127.03912	1.5
127.07518	2.0
129.07016	1.6
131.08598	2.5
133.10117	7.3
137.13222	1.6
144.49071	0.9
145.10146	0.9
147.11673	41.4
157.10133	3.9
165.12738	24.7
173.12976	0.9
175.11189	4.3
193.12212	12.7
197.15349	8.3
211.13289	0.9
225.14722	4.8
229.14374	1.3
243.15891	7.5
261.30820	0.9
263.13867	1.0
267.15887	12.7
285.16864	4.1
299.18512	100.0
300.18781	2.4
317.19565	3.5
487.21808	1.4
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
53.03931	1.5
55.01864	2.4
55.05510	3.6
57.03431	4.6
57.07071	3.0
67.05496	11.5
69.03425	12.5
69.07060	8.9
69.43639	10.6
71.01364	1.9
71.04985	17.4
73.02914	2.9
76.74942	1.1
79.05492	4.2
81.03411	7.9
81.07049	18.4
83.08600	3.0
85.02901	21.4
85.06542	4.9
87.00831	6.1
91.05469	2.1
93.07030	8.1
95.04963	2.1
95.08608	12.1
97.02863	6.1
97.06519	1.4
97.10183	2.7
98.97600	1.9
99.04437	6.3
99.08075	3.1
100.04804	1.3
105.01859	5.5
105.07024	2.8
107.04937	1.4
107.08588	12.8
109.02870	6.7
109.06480	1.2
109.10143	41.1
110.89461	1.1
112.36658	1.0
113.09615	2.4
115.03923	1.3
116.98621	2.7
119.08557	2.4
121.06496	1.7
121.10138	21.5
123.11738	6.0
124.07584	1.2
125.09653	2.8
125.13275	1.2
127.03899	12.6
127.11184	4.3
133.10120	3.0
135.11670	9.6
137.05980	2.8
137.13248	3.3
139.11143	1.5
143.08562	1.5
145.04936	5.5
145.07576	1.5
149.13176	2.7
150.35498	1.0
153.12755	4.8
158.99579	1.3
159.02907	2.2
159.11703	1.5
161.05956	1.1
167.10677	1.1
167.14334	2.1
177.16385	26.8
191.08177	4.2
192.08408	2.1
193.08615	1.7
193.15852	1.8
195.17438	46.6
200.52988	1.1
213.15126	2.7
213.18478	100.0
214.18730	1.6
216.22064	1.0
217.12250	1.1
225.67574	1.2
231.04965	1.2
231.15919	1.4
231.19569	4.9
247.50900	1.0
252.06673	1.3
259.49533	1.2
303.19458	1.2
318.06201	1.6
332.08252	2.3
333.08728	2.7
334.08966	4.0
355.12158	1.6
407.20697	3.7
425.21725	3.4
464.14020	1.3
482.16037	1.2
496.18512	11.7
497.13861	21.3
497.19681	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42002	0.6
52.92835	0.7
55.01862	1.4
55.05501	4.8
57.03434	5.1
65.11412	0.6
67.05178	0.7
67.05503	12.5
69.03411	1.3
69.06787	0.6
69.07065	8.1
71.04971	2.4
71.63551	1.1
73.02899	2.0
78.11952	0.6
79.05493	6.7
81.07051	39.3
83.04984	3.3
83.08624	3.8
85.02897	5.8
85.06528	2.8
86.09673	2.4
91.05472	11.4
93.07039	5.3
95.01322	3.4
95.04964	1.7
95.08611	8.7
97.02860	1.8
97.06512	2.9
97.10173	1.2
99.08065	2.3
101.05996	1.2
105.07020	17.5
107.08600	6.5
109.06499	3.5
109.10146	1.6
110.07129	2.7
111.08086	1.0
111.11687	2.0
113.02360	1.0
113.06020	0.8
119.08569	13.8
121.10136	12.9
123.08051	2.2
123.11695	16.9
127.03854	1.0
127.07543	2.2
127.11165	2.1
129.06978	1.0
131.03354	0.9
131.08514	0.8
133.10107	2.5
137.05954	2.9
137.13257	1.1
138.06287	0.8
140.61411	0.7
141.01822	4.0
141.09087	0.7
145.11981	0.7
147.11678	42.6
157.10083	2.4
165.12756	18.5
167.07011	5.0
168.07336	3.1
175.11177	2.4
180.07329	0.7
183.13821	2.3
193.12283	2.4
211.11046	0.7
211.13184	1.0
213.15041	1.0
213.18372	0.6
229.14340	5.8
267.12930	1.4
267.15887	41.2
285.16943	100.0
286.17505	1.0
352.27432	0.7
410.13010	0.9
425.17990	1.5
443.19095	1.7
448.56516	0.7
461.19928	3.1
500.51367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01864	2.7
55.05508	17.0
57.03430	5.7
59.83600	1.1
61.02912	5.1
65.03924	1.4
67.05501	35.3
68.68914	1.3
69.03418	5.3
69.07067	18.4
69.49657	0.9
69.49984	9.7
71.04982	5.5
73.02912	3.0
79.05486	23.5
81.03429	8.4
81.07051	100.0
83.04974	8.4
83.08617	8.5
85.02903	8.0
85.06532	7.1
91.03937	2.1
91.05478	37.7
91.79549	1.0
93.07037	26.3
95.04979	6.7
95.08602	25.1
97.02883	4.4
97.06512	6.7
97.10143	1.5
99.04447	2.2
99.08084	4.3
101.05993	2.0
103.03968	1.2
103.05483	1.7
105.07023	48.6
107.04964	3.7
107.08585	15.9
109.06519	6.6
109.10148	2.4
110.03925	1.1
111.04427	1.4
111.08101	2.5
113.05994	1.4
114.82203	1.1
117.07034	3.9
117.84997	1.1
119.08573	38.7
121.06458	1.7
121.10133	25.2
123.07296	1.1
123.08047	6.2
123.11699	33.2
127.03910	2.2
127.07551	3.1
129.06992	3.0
131.04916	3.8
131.08574	5.0
133.06480	1.5
133.10118	6.6
135.11612	2.1
137.09596	1.7
137.13263	2.7
143.08568	2.5
145.10121	5.5
147.11678	78.1
149.09604	2.1
155.08534	2.4
157.10146	3.3
159.08107	1.6
159.11684	3.1
161.13138	2.4
165.12747	38.8
167.07069	8.1
169.10129	1.4
172.30280	1.1
173.13272	2.1
175.11227	1.5
181.04893	1.5
181.23903	1.1
183.11800	1.1
183.13774	5.6
185.09592	1.4
185.13287	2.7
187.14825	1.1
191.07031	3.5
193.12277	5.1
197.09666	1.8
203.14267	1.7
211.13293	4.7
229.14349	10.5
259.20599	2.4
267.15903	52.4
283.09607	1.8
285.07425	1.8
285.10217	3.1
285.17053	3.5
299.09149	3.3
301.21628	2.1
331.22824	1.6
333.24222	3.3
363.25082	1.5
367.22659	2.6
375.25409	1.7
385.23712	1.8
394.11157	1.2
403.24637	2.5
423.25748	1.2
429.26633	2.2
441.26425	3.2
445.12762	3.5
449.28824	1.8
459.27405	4.2
465.15375	7.2
477.15286	6.0
477.28470	13.8
495.29486	61.6
496.30228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03204	2.6
53.03941	7.7
55.01869	9.3
55.05508	29.8
56.96548	3.4
57.03435	27.6
57.07075	4.9
61.02922	44.0
63.41210	2.2
65.03951	3.6
67.05165	4.5
67.05506	65.0
69.03432	33.7
69.07070	24.7
69.59093	2.1
69.59391	20.1
71.01384	5.7
71.04989	11.1
73.02921	24.7
75.04492	3.7
79.05494	64.3
81.03415	41.1
81.03856	3.9
81.07056	100.0
83.04977	16.8
83.08616	13.2
85.02906	52.8
85.06548	11.3
87.04451	3.1
91.03946	21.2
91.05478	81.6
91.68368	2.2
93.07047	73.6
95.04974	20.3
95.08609	42.5
97.02893	37.7
97.06544	10.0
97.10181	4.8
99.04438	6.7
99.08109	5.0
101.02395	3.1
103.03933	5.4
103.05455	4.8
105.07030	81.2
107.04957	12.4
107.08584	49.1
109.02892	6.1
109.06525	11.2
109.10156	18.8
111.04461	4.2
111.08086	5.8
111.11803	2.7
115.03918	3.3
115.05479	5.5
117.07012	31.9
119.08579	57.6
121.06525	9.2
121.10143	42.5
123.04454	5.7
123.08074	9.9
123.11705	20.8
125.09642	2.8
127.03936	9.0
127.07523	3.3
128.06229	3.4
129.05501	5.8
129.06982	20.9
130.07780	2.7
131.04930	4.7
131.08559	40.6
133.06509	7.3
133.10126	37.8
135.08064	6.9
135.11691	24.3
137.05983	4.6
137.09613	5.1
141.07018	10.0
142.07738	3.4
143.08568	21.5
145.04977	3.5
145.06487	6.0
145.10129	41.0
147.08084	8.8
147.11676	57.0
147.12784	4.4
149.09674	7.8
149.13295	11.2
153.07051	3.7
154.07784	3.2
155.07333	3.0
155.08591	10.2
156.09242	2.9
157.06546	3.1
157.10132	26.1
159.08081	8.7
159.11668	28.8
161.09631	3.2
161.13229	13.9
163.07753	2.6
163.11226	6.8
163.14827	4.2
165.12756	20.7
167.07272	3.4
167.08560	5.5
169.10167	10.5
171.08096	4.0
171.11699	21.8
173.09648	7.4
173.13223	17.8
175.11237	7.2
175.14859	8.2
177.12682	3.3
179.08542	4.8
181.10161	8.1
183.11703	14.2
185.09686	6.6
185.13229	15.9
187.07616	5.3
187.11192	6.0
187.14841	6.9
189.12708	3.5
189.16393	3.0
193.10179	3.6
193.12259	9.7
195.11797	3.2
197.09630	2.8
197.13345	5.7
199.11206	5.7
199.14894	6.5
201.09079	2.7
201.12732	3.4
201.16345	2.7
203.14359	4.7
207.11784	3.1
207.13773	2.6
209.13319	5.8
211.11346	3.3
211.13164	4.2
211.14922	3.5
213.12811	3.9
215.14310	2.7
225.12689	3.4
229.14207	3.3
229.19502	2.8
239.14516	2.6
239.17928	3.5
241.19522	12.6
243.13953	3.3
249.14952	2.9
253.19582	4.2
257.19110	5.9
259.20551	18.8
259.55264	2.8
267.08875	2.6
267.15903	37.9
269.19095	3.3
271.20700	7.1
273.22247	4.2
275.20200	5.9
277.21658	4.5
283.20493	3.9
285.17044	5.8
289.21643	5.1
299.20151	4.1
301.21616	12.4
307.20779	2.9
311.20157	4.3
313.21725	7.4
315.23349	6.9
325.21555	6.8
331.22778	6.0
333.20398	5.7
333.24158	36.9
337.21674	3.0
339.23395	6.7
343.22775	5.5
345.24310	6.8
349.21768	7.6
357.24323	4.0
361.23923	4.2
363.25296	5.2
367.22940	14.5
375.25204	12.7
385.23932	9.1
387.25558	5.2
390.14386	2.8
399.25571	3.9
403.24976	9.9
417.26596	7.8
423.25266	5.4
429.26428	7.9
441.26346	33.2
459.27527	31.0
477.28497	42.4
495.29666	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.1
53.03938	3.1
54.17154	0.9
54.23516	1.0
55.01864	3.9
55.05255	1.7
55.05508	20.5
57.03439	12.4
59.05006	1.5
61.15768	1.1
65.03929	2.1
67.05170	1.8
67.05503	29.9
69.03430	7.1
69.07068	10.5
69.43536	0.9
70.55948	0.9
71.04999	7.4
73.78580	0.9
76.84511	1.0
79.05051	2.0
79.05492	30.1
81.03416	76.4
81.07054	39.3
82.07436	1.0
83.04980	17.0
83.08619	28.7
85.02908	41.0
85.06529	3.4
91.05480	43.8
93.07043	23.5
95.04964	33.0
95.08601	17.5
97.02876	3.6
97.06512	4.5
97.10165	5.6
99.04453	2.2
103.05399	1.1
105.07023	23.6
107.04937	7.5
107.08595	12.3
109.02898	1.9
109.06496	5.5
109.10147	6.9
111.04475	2.9
111.08069	12.7
113.06007	4.4
115.05427	1.9
117.07014	2.3
119.04901	1.4
119.08578	25.7
121.06480	1.4
121.10131	14.0
123.08067	2.8
123.11702	3.8
125.05988	1.1
125.09644	2.2
127.03905	2.1
129.06995	15.1
131.08556	13.3
133.06490	2.8
133.10139	11.1
135.08040	1.8
135.11731	1.4
136.66490	1.0
137.05902	0.9
137.09645	2.8
139.11218	1.0
142.07779	4.5
145.10118	3.4
147.08084	3.2
147.11682	17.0
149.09624	8.5
152.83484	0.9
157.10144	15.3
161.09532	1.1
165.09065	1.5
165.12755	4.0
175.11168	18.6
175.12534	1.7
187.06044	3.5
189.11208	1.3
193.12239	68.5
194.12578	1.3
211.13280	89.0
229.61737	1.1
261.13275	1.0
267.15848	10.0
285.16977	5.8
339.23386	1.5
359.21957	1.5
385.23996	1.6
416.47028	1.2
435.08759	2.3
451.26917	2.2
459.27527	5.8
464.08896	10.8
465.09561	2.5
477.28543	7.5
495.10886	5.7
495.29538	100.0
496.11087	2.0
496.30139	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01857	2.3
55.05509	18.7
57.03439	10.7
59.05019	1.4
61.02926	2.9
65.03953	1.6
67.05502	29.5
69.03425	6.6
69.07061	10.8
69.87015	6.2
69.87421	2.6
71.04984	7.0
79.05486	30.4
81.03414	57.5
81.07053	47.2
83.04985	16.2
83.08617	22.2
85.02899	31.8
85.06541	3.5
91.05479	37.0
93.07046	22.5
93.80016	1.2
95.04961	26.1
95.08608	16.5
97.02892	3.5
97.06534	5.9
97.10168	4.7
97.77807	1.3
97.98494	1.2
99.08083	2.2
105.07026	31.7
107.04967	7.9
107.08591	11.7
109.06534	6.1
109.10168	5.3
111.04427	3.1
111.08052	10.8
113.06024	4.3
115.05433	2.3
117.07030	4.2
119.08576	26.7
121.06522	2.8
121.10141	15.6
121.42307	1.2
123.08071	5.1
123.11715	7.1
125.09663	1.3
127.03953	2.0
129.06993	12.1
131.08559	15.9
133.06474	3.0
133.10132	13.0
135.08029	3.1
135.11668	1.3
137.09657	3.3
137.13350	1.4
142.07779	4.7
145.10147	5.1
147.08046	3.3
147.11687	30.1
147.12782	2.4
149.09587	7.6
151.11220	1.7
157.10130	15.6
165.12761	9.8
166.60895	1.5
169.10173	1.7
175.11157	15.3
183.11771	2.0
183.13857	2.7
193.12241	56.0
209.63481	1.4
211.13281	71.3
229.14455	1.9
237.09036	1.7
267.15900	22.9
278.63708	1.3
285.17014	4.5
332.11566	1.2
333.24161	1.9
367.22650	2.7
375.25595	1.7
385.23492	2.0
459.27338	9.2
477.28458	13.0
495.29590	100.0
496.29749	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38541	1.6
53.03934	3.9
55.01852	3.8
55.05501	4.8
56.45062	1.4
56.96552	2.4
57.03420	7.2
57.07060	8.5
59.04988	3.6
61.02918	8.4
67.05499	10.3
69.03078	2.1
69.03426	29.8
69.07069	8.9
69.80377	9.9
71.04974	5.9
72.08152	2.0
73.02897	6.5
79.05495	2.4
81.03414	12.4
81.07028	7.5
83.04973	2.9
83.08598	4.0
85.02897	100.0
85.06541	9.6
86.09692	2.0
90.27651	1.5
91.03927	4.4
91.05471	3.3
93.07030	7.3
95.04956	4.2
95.08598	57.5
97.02881	30.2
97.06526	3.7
98.97546	2.7
99.04438	6.6
99.08093	7.4
101.03037	1.6
103.03920	2.0
105.07014	2.2
107.08565	7.0
109.02881	9.9
109.06517	12.3
109.10125	10.6
111.08080	6.4
113.09634	77.9
115.03943	3.1
119.08575	2.3
121.02876	1.7
121.06503	2.7
121.10136	2.1
125.02296	2.5
127.03909	21.8
127.11180	29.2
133.04993	3.9
133.53424	1.6
135.11670	10.9
136.07561	2.1
137.05974	3.6
137.09550	2.1
137.13177	4.5
143.86978	1.6
145.04947	25.9
145.10039	1.7
151.07558	2.2
152.59833	1.6
153.09142	2.4
153.12727	42.3
155.14270	11.8
163.06026	3.0
164.07024	3.1
165.09081	2.7
171.13788	81.2
177.12679	2.2
179.05501	6.6
183.10176	3.8
183.13779	2.0
184.10609	2.6
195.13643	2.0
197.04903	1.7
213.14746	8.5
224.06386	1.8
233.90092	1.7
249.14984	2.3
261.14624	1.9
267.15884	2.5
279.15872	3.1
297.16852	4.5
302.05524	2.3
307.93594	2.0
323.11655	2.0
333.06015	3.1
333.14615	2.3
333.18933	4.2
337.07083	1.6
437.23682	4.7
451.19461	2.9
495.18463	16.7
495.24600	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	495.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01839	0.5
55.05498	1.1
57.03432	0.9
61.02911	1.0
65.03947	0.4
66.04704	0.4
67.05492	4.0
69.03426	3.7
69.07053	1.3
71.04977	0.9
71.61095	0.7
72.41229	0.4
73.02910	0.7
79.05486	3.2
81.03427	2.6
81.07046	6.3
82.03723	0.4
82.07395	0.8
83.04941	0.7
83.08586	0.7
85.02902	8.6
85.06523	1.4
87.04436	0.6
91.03931	0.5
91.05476	4.2
93.07037	2.1
94.04184	1.1
95.04971	2.1
95.08592	4.2
97.02901	2.2
97.06501	0.9
97.10140	0.5
99.04423	0.8
99.08050	0.8
105.03384	0.6
105.07013	1.7
107.04958	2.1
107.08553	1.0
108.05753	2.1
109.02866	1.6
109.06519	7.7
109.10143	2.2
111.08051	0.7
117.07035	0.7
119.04941	2.3
119.08550	1.0
121.02794	0.5
121.06486	1.2
121.10149	0.7
122.03661	1.1
123.08022	0.9
123.11675	1.9
124.05231	0.5
124.08400	0.5
125.05961	0.9
127.03927	2.2
131.04929	0.6
133.06445	0.8
133.10103	0.8
135.04425	1.0
135.08038	0.5
135.11700	0.9
137.05966	33.4
137.13203	0.9
139.07535	2.9
145.04951	1.0
145.06471	0.6
145.10165	0.6
147.04399	22.5
147.11736	0.5
149.05983	0.6
149.13193	0.6
151.07509	1.0
153.05438	1.0
155.07021	4.8
159.11697	0.9
161.06017	0.6
163.07509	0.6
165.09088	1.8
167.07025	100.0
168.07448	0.4
169.37711	0.4
177.12657	0.7
179.07016	10.6
179.08524	0.7
181.08589	0.5
187.11172	1.3
187.89522	0.4
191.07002	0.5
193.19530	0.9
197.08070	0.9
205.12419	0.5
209.08104	1.0
211.20586	3.0
222.44458	0.3
229.21637	0.9
233.08043	0.5
241.14415	0.6
242.14726	0.7
276.47733	0.4
279.15793	0.9
280.16263	2.3
296.17087	0.4
297.16833	3.4
298.17249	6.5
299.09015	0.6
311.11383	0.5
315.12201	1.5
333.13284	8.1
333.17090	0.6
335.20129	0.4
354.12811	0.4
365.02844	0.4
410.68900	0.4
459.10663	0.4
459.27069	0.6
477.15765	0.4
495.16565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	40.5
59.36831	0.3
62.28511	0.3
67.05502	0.3
69.03427	0.3
70.11596	1.3
71.95261	4.1
72.96033	1.8
74.97612	1.1
76.25843	0.3
79.05476	0.4
81.07055	0.8
84.96021	1.0
91.05486	0.5
92.98653	0.8
93.07018	0.4
93.53938	0.3
95.08614	0.3
97.96815	0.5
99.13359	0.3
105.07063	0.4
107.91775	0.3
110.97594	0.5
123.01178	0.5
125.26491	0.3
128.98619	0.9
131.08499	0.3
137.02721	1.4
139.00667	0.5
141.02219	0.8
145.01685	0.4
146.99686	0.5
147.03311	0.3
147.11665	0.4
153.02168	0.4
155.03793	1.8
157.01732	1.3
159.03275	2.8
161.01230	0.3
162.70598	0.3
167.03770	0.3
169.01649	0.6
169.05403	0.5
171.03294	2.4
173.04836	1.0
175.02803	0.7
177.04337	1.1
183.06947	0.4
185.01241	0.4
185.04878	1.6
189.00784	0.6
189.04326	2.0
193.12210	0.4
199.02774	1.4
199.06424	1.0
199.66568	0.3
201.04330	0.6
203.02267	1.4
203.05881	2.2
207.05489	0.6
211.06444	1.7
211.09909	0.4
211.13176	0.5
213.07928	0.8
217.03932	2.0
217.07466	1.2
223.09923	5.0
223.11870	0.3
229.07460	1.0
231.06894	0.4
237.07925	1.6
239.09514	0.7
241.11093	61.2
242.11391	0.7
243.09009	0.3
249.08040	1.3
255.08937	1.3
257.10458	0.5
259.12158	100.0
260.12466	1.7
261.12454	0.5
264.12662	6.8
267.08987	11.8
267.15536	0.4
270.53336	0.3
277.13257	1.1
282.13733	6.8
285.10071	54.2
286.10370	0.8
290.10559	0.5
303.11133	47.2
304.11511	0.4
305.11380	0.4
305.15298	0.5
308.11673	6.9
321.12125	1.4
326.12689	5.2
419.88055	0.4
422.54340	0.4
451.23416	0.7
477.21716	1.8
477.27594	0.3
495.22617	74.2
496.22852	1.2
513.23792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1649
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
55.05500	8.0
62.14838	3.7
67.05493	11.3
69.07044	7.4
69.29627	7.7
69.30029	31.4
78.04710	3.4
79.05479	12.4
81.03411	8.4
81.07073	32.4
83.08596	4.1
85.02900	4.3
91.05475	14.3
93.07024	7.1
95.04955	9.4
95.08598	9.4
97.06470	4.1
101.39895	3.7
103.05428	4.2
105.07050	16.6
107.04932	13.1
107.08592	9.1
109.06535	4.6
109.10157	7.2
111.23678	3.1
119.08591	17.5
121.10117	5.1
123.04417	5.6
123.11693	10.7
131.04900	19.8
131.08591	4.3
135.11696	3.6
137.02319	6.4
147.11678	12.2
153.05450	9.9
156.00958	3.4
157.10069	3.7
165.12834	5.0
167.07040	84.7
181.04953	32.0
191.06995	8.7
193.12163	4.2
194.07300	4.9
213.05489	4.0
237.08972	3.8
265.08563	16.0
267.06635	4.2
267.15958	6.2
269.04324	3.4
285.07504	14.4
297.11090	10.7
299.09207	25.6
311.09195	8.1
369.07858	4.1
416.08096	4.3
445.12759	9.1
447.11139	4.6
449.15698	14.6
462.13580	6.3
465.15247	14.0
477.15344	100.0
495.16455	11.7
495.22775	8.2
495.29315	15.6
506.44226	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1645
Annotation	Antibiotic 1072B
Peak:m/z	Relative Intensity
51.63811	1.6
55.05500	4.8
57.03427	5.8
61.02922	2.8
67.05515	8.8
69.03422	4.8
69.07058	2.7
69.90916	9.9
73.02915	3.5
74.82992	1.4
78.04714	2.7
79.05484	14.1
81.03416	5.3
81.07046	11.9
83.04970	2.7
84.95050	1.6
85.02893	6.5
91.05476	11.1
93.07043	10.2
95.04969	6.0
95.08591	7.5
97.02883	4.2
97.06548	2.6
99.04479	2.6
99.08109	1.4
101.02338	1.6
103.05452	2.0
105.07026	12.1
106.01686	1.7
107.04945	19.5
107.08589	8.8
109.06529	3.2
109.10123	2.6
111.04420	2.6
117.07005	3.0
118.04101	2.3
118.12177	1.9
119.08558	11.8
121.06490	2.3
121.10124	4.8
123.04415	17.2
127.03918	4.1
129.07019	4.2
130.04149	1.6
131.04938	6.7
131.08562	7.7
133.10101	4.5
134.19078	1.6
135.11708	3.0
137.05951	4.1
143.08522	2.0
145.06535	1.8
145.10107	4.6
147.04362	3.9
147.11656	4.8
148.05183	2.8
149.13245	2.5
151.03864	3.3
152.04694	2.1
155.08493	2.0
157.10072	3.2
159.11731	2.7
159.15498	1.6
161.13229	2.1
161.97647	2.0
167.07025	100.0
173.13298	4.4
176.04665	2.8
177.05467	3.2
181.05009	2.7
181.06471	2.2
184.05190	1.9
185.05888	3.5
185.13280	2.0
191.07016	32.8
197.05963	2.3
199.07523	2.0
210.06779	2.6
211.07524	2.4
213.05455	4.3
223.07573	1.9
226.06258	2.8
235.07576	2.2
237.05484	3.4
238.06294	2.5
239.07024	4.1
241.04944	4.8
247.08063	1.5
250.06236	1.9
251.07025	6.6
253.05006	2.8
253.08505	1.7
256.07339	5.9
259.20511	4.0
265.04987	4.8
266.05609	2.2
267.06424	4.3
267.09021	2.5
269.04480	2.6
269.08087	2.9
270.05310	3.0
277.21558	3.3
279.06454	6.7
280.07306	6.9
283.06085	3.7
284.06598	8.8
285.07394	3.1
293.08133	1.5
299.09149	47.2
301.08502	3.0
308.06876	1.9
309.07535	1.6
311.09122	10.6
313.08582	2.5
314.09177	1.7
316.07272	2.0
323.09085	12.5
327.06607	1.9
327.14209	1.9
329.07709	2.0
330.08685	2.2
333.24130	4.5
341.08096	3.3
342.08585	1.9
343.09476	3.3
344.06622	2.0
349.21509	1.5
353.07935	3.0
357.07407	2.9
359.09048	3.8
367.22522	2.4
369.07401	4.7
370.08173	5.0
371.08981	4.6
373.10626	2.6
374.07376	2.3
375.08627	1.8
381.07559	3.3
382.08405	2.5
383.08984	3.5
387.08563	5.7
398.07755	3.9
399.08646	7.5
401.10550	3.2
402.10825	5.5
403.07776	2.1
407.11542	2.3
413.10254	9.5
414.11224	7.5
415.08105	4.6
417.13498	2.6
430.10236	4.0
431.11307	9.0
433.12808	2.7
434.13519	2.4
445.12836	46.9
446.13269	5.9
447.10522	3.6
450.13031	3.0
457.08704	2.0
459.27686	2.1
462.12814	7.4
465.15384	26.0
477.15405	84.4
477.28601	5.1
479.75067	2.0
494.40710	1.9
495.16547	24.7
495.29504	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	495.1127
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01859	0.6
55.05494	1.1
57.03425	1.1
61.02924	3.0
63.42844	0.3
67.05494	0.5
67.67639	0.2
68.99777	0.7
69.03423	3.4
70.06577	0.6
71.04980	0.6
71.13020	0.5
71.13390	0.5
73.02913	0.9
75.27398	0.2
79.05472	0.5
81.03400	1.4
81.07047	1.1
82.06604	0.3
83.08597	0.4
84.32718	0.3
85.02900	7.9
85.06520	0.4
87.04460	0.5
91.03942	1.6
91.05470	0.4
93.07030	0.6
93.26918	0.2
95.04948	0.3
95.08615	0.7
95.22620	0.2
97.02881	3.4
97.62669	0.2
98.09681	1.1
98.10451	0.2
99.04434	0.5
100.07597	0.4
100.11250	2.0
105.07022	0.6
107.04931	0.4
107.08551	0.5
109.02876	1.5
109.10113	0.3
110.06050	0.4
111.00800	0.9
111.04485	0.4
115.03940	0.4
119.08563	0.4
121.02863	0.3
121.06484	0.6
121.10150	0.3
123.04386	0.3
124.11230	1.0
125.09615	0.6
126.12778	0.6
127.03928	2.1
131.08517	0.3
137.02347	0.9
137.05968	0.9
139.03870	1.6
140.07001	0.3
141.67621	0.2
145.04962	1.3
147.04454	0.3
149.05948	0.3
151.07549	0.3
153.01825	6.2
153.12668	0.3
161.05992	0.3
165.01825	1.6
166.02605	0.6
167.03384	1.7
167.06999	0.6
169.24536	0.3
170.22820	0.3
179.03435	0.5
182.15361	0.7
183.02818	0.4
189.05463	0.3
193.05002	0.6
195.02800	0.3
205.05069	0.5
206.05743	0.4
208.03638	0.6
209.16472	0.4
210.14912	0.8
211.17166	0.4
216.04150	0.5
217.04955	3.0
219.02907	2.6
227.03270	0.3
229.04996	0.3
233.04434	1.2
234.05251	0.6
241.04935	0.4
243.02711	0.4
244.03773	1.7
245.04433	3.6
246.15053	0.5
247.02440	0.4
255.03008	0.4
259.06033	0.7
261.03894	0.7
272.03149	0.5
273.03961	3.3
277.07016	1.0
287.05536	1.2
289.03360	2.3
290.04169	1.4
300.02649	0.4
301.03421	5.8
303.04749	0.3
304.05585	0.6
315.04858	0.6
317.03088	0.3
318.03693	8.7
333.06015	100.0
334.06339	1.4
354.24429	0.3
389.74734	0.2
422.64551	0.3
451.32977	0.3
476.35526	0.6
477.34732	1.0
494.30127	0.6
494.36896	4.3
495.21664	1.2
495.29993	0.5
495.37054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71893	0.8
53.73813	0.8
57.07084	3.9
58.06598	1.8
65.03925	1.2
69.03397	1.1
69.07057	1.1
70.06586	13.7
71.08620	1.4
71.60582	1.1
88.07626	14.4
88.28410	0.8
95.04939	0.9
95.08604	1.2
102.09167	12.5
149.01138	1.9
149.02341	37.7
149.03368	1.6
160.05238	0.8
161.13237	0.9
171.21722	1.0
193.04948	39.2
201.98698	0.9
237.07553	45.6
284.29456	35.1
284.32605	1.3
328.32004	1.1
494.34711	100.0
495.35010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48334	1.3
53.03941	5.7
55.01859	2.2
55.05495	4.1
57.03423	4.9
65.03950	1.1
67.05500	20.4
69.03419	5.2
69.07059	4.4
69.27966	14.9
71.04985	6.6
72.62915	1.2
79.05482	12.4
81.03410	18.7
81.07053	27.2
82.07402	1.5
83.04961	4.4
83.08614	3.7
83.37721	1.5
85.02906	8.9
85.06531	3.4
87.00816	1.2
91.05470	10.1
93.07039	18.9
95.01313	2.6
95.04980	9.9
95.08045	1.6
95.08601	21.8
97.02881	4.2
97.06511	4.5
97.10155	1.2
99.04446	1.8
99.08053	1.6
103.05435	2.3
105.01842	1.3
105.07022	8.5
107.04950	16.4
107.08595	7.9
109.02868	3.4
109.06527	3.8
109.10122	5.8
111.08080	2.3
117.07020	7.4
119.04967	1.9
119.08566	4.3
121.06503	6.6
121.10152	7.9
123.04427	2.8
123.08057	9.6
123.11691	5.5
124.07585	1.8
125.09683	1.2
127.03913	2.7
131.04909	1.8
131.08549	5.0
133.06480	1.9
133.10112	5.6
135.08067	3.4
135.11700	12.9
136.07536	1.5
137.05991	10.8
137.09599	3.9
138.06305	3.1
141.06935	3.1
145.06482	8.5
145.10139	2.4
147.11600	1.5
149.13293	9.3
149.14294	1.7
151.07509	2.6
151.14876	1.5
159.08066	2.5
159.11682	10.9
161.09610	1.3
164.07011	2.9
165.09116	2.8
166.09593	1.7
167.07039	3.6
169.10103	5.0
175.14824	1.5
177.12721	9.8
187.11148	14.0
193.15883	3.6
195.13773	4.0
205.12245	3.4
211.16881	9.0
223.13307	2.0
229.17937	3.1
237.10225	5.3
237.13731	2.0
241.14369	11.0
248.09465	2.3
249.10229	3.3
250.11081	3.2
251.11725	4.6
263.11688	11.4
264.12457	2.2
265.09738	4.5
265.13303	14.3
267.11301	1.4
277.09705	2.1
279.11526	7.3
279.15894	100.0
281.65240	1.9
288.12964	1.8
290.08798	1.3
291.11197	2.9
293.12878	3.2
295.10513	4.0
297.16946	99.5
309.09149	2.1
309.12363	21.7
310.13065	8.5
311.13776	2.3
319.10828	3.0
337.07825	2.7
337.11813	46.1
338.12463	13.3
369.14441	14.8
370.15112	6.4
459.16058	1.6
462.20306	8.4
494.20566	2.4
495.12750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01843	0.8
56.91142	0.6
57.03180	0.9
57.03434	10.9
59.01385	0.7
61.02919	4.2
61.43929	0.5
64.02009	0.6
67.59155	0.6
69.03423	9.5
70.53305	2.3
71.01340	1.1
73.02911	23.1
79.05487	5.2
81.03371	0.9
83.81963	0.7
85.02898	13.9
87.04460	1.1
92.11643	0.7
94.69289	0.6
95.04943	2.6
96.04461	0.9
97.02888	16.0
99.04405	1.0
107.04947	16.1
109.02866	2.6
115.03920	13.0
121.02902	0.7
124.04330	1.2
124.05196	16.3
125.05932	0.6
127.03912	5.9
132.06503	1.0
133.04959	4.7
139.07532	2.4
144.06551	1.2
145.04941	5.5
148.67371	0.6
150.07632	1.1
151.03882	26.6
162.07607	0.9
163.06021	0.9
165.09116	0.7
175.14803	0.7
180.08623	1.0
183.06514	100.0
184.06808	1.2
223.06036	1.4
232.16994	0.7
241.07063	2.1
280.25443	0.7
295.10074	0.8
310.61035	0.6
392.08151	0.7
456.03326	0.6
476.10504	0.8
494.11371	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	1.5
57.03431	10.7
61.02925	4.8
67.28793	0.5
69.03423	15.6
71.01339	1.6
71.04981	0.6
71.60034	0.7
73.02911	29.0
74.06041	0.5
79.05483	7.1
81.03393	1.5
81.07047	0.5
85.02900	17.0
87.04438	0.9
95.04946	2.0
95.08562	0.6
97.02278	0.9
97.02885	17.5
99.04422	1.1
103.03911	0.6
107.04942	18.2
109.02849	2.5
109.06518	0.9
109.10164	0.6
110.99866	0.5
111.08073	2.3
111.63300	0.5
115.03152	1.0
115.03922	12.2
117.05434	0.5
119.08562	0.8
121.02830	0.5
123.04428	1.2
124.05198	18.4
125.05967	1.8
127.03911	6.7
133.04944	5.6
133.10097	0.9
137.05968	1.7
139.07576	1.4
141.71112	0.6
144.06529	1.3
145.04933	7.8
150.07622	1.6
151.03891	31.5
163.05981	2.1
167.03366	0.6
167.07030	11.3
169.04932	0.6
175.14851	0.8
177.05443	1.5
180.08647	0.8
181.04962	0.6
183.06514	100.0
184.06841	1.4
193.05028	0.8
193.15833	4.3
194.62625	0.5
209.08099	4.8
211.16882	3.6
223.06042	1.3
234.82169	0.5
241.06999	1.5
244.86996	0.5
259.08133	1.1
267.98703	0.5
283.11734	1.4
287.09256	0.6
295.10159	0.7
301.12845	1.5
324.42935	0.5
332.19043	0.6
416.07330	0.7
469.23950	0.6
477.87784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
57.03437	4.9
57.07079	47.2
61.02924	2.1
67.05508	12.3
69.07077	9.7
71.08630	34.9
71.63174	3.3
73.36326	1.6
75.04491	3.1
79.05500	1.8
81.07046	18.8
83.08615	14.4
84.06496	1.7
85.10184	20.2
90.86581	1.6
93.07067	3.0
95.08607	29.8
97.10158	6.5
97.38896	1.5
105.07041	2.2
107.08557	2.5
109.10139	13.4
111.11749	2.6
113.54144	1.6
119.08528	1.9
123.11692	5.8
125.13295	2.7
137.13255	2.5
190.50095	1.6
239.23666	36.8
257.24741	4.1
307.03461	1.9
313.27356	100.0
331.28430	4.6
376.26801	1.6
421.49640	2.0
493.30096	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02127	0.2
53.03942	2.5
55.01849	1.0
55.05503	2.2
57.03436	2.3
59.04971	0.8
59.70097	0.3
61.02922	0.6
67.05491	0.5
69.03075	0.4
69.03426	6.9
69.07047	0.4
69.46954	0.6
69.47374	2.0
69.99306	0.4
71.01321	0.7
71.04987	4.0
72.64429	0.3
73.02903	0.8
79.05490	0.4
81.03413	8.0
81.07022	0.6
82.63554	0.3
83.04629	0.2
83.04983	2.3
85.02902	3.9
87.04484	0.4
91.05479	1.5
93.07001	0.6
94.04149	0.5
95.04973	0.4
95.08575	1.3
97.02902	2.1
99.04447	17.8
101.06007	0.3
103.03300	0.4
103.03939	5.8
103.05451	0.6
104.05751	0.5
105.07018	0.8
107.08529	0.5
109.02869	6.2
109.10130	0.6
112.07589	0.3
115.07575	0.6
117.05486	4.2
118.06551	1.9
119.04949	0.5
120.08086	0.7
121.06528	0.3
122.03607	0.8
123.03956	0.4
127.03912	8.5
131.04883	0.9
132.06868	0.6
132.08070	1.4
133.06412	0.4
133.84807	0.2
135.06496	0.9
135.11653	0.4
137.05969	12.0
138.06299	4.1
144.06862	0.4
145.07605	9.3
146.08363	2.9
147.09161	25.6
148.34685	0.3
149.05945	0.6
149.13203	0.3
151.07536	2.4
152.07848	1.1
157.06480	0.3
157.07565	1.4
159.06467	0.5
159.09163	17.1
160.09950	3.1
161.05960	0.4
161.10716	2.0
163.07555	1.8
164.07895	1.0
165.06834	0.3
165.09151	0.3
167.08472	0.5
170.08376	0.3
171.09166	0.7
173.07092	1.0
173.10753	2.5
174.11563	0.4
175.07304	0.4
175.08675	4.6
175.14796	0.3
182.08351	0.7
183.09074	0.4
184.09929	1.5
185.10716	5.8
186.11450	1.0
187.08670	3.5
187.12282	1.8
189.08850	0.5
189.10266	4.9
190.09692	1.6
191.08142	93.3
192.08620	1.5
193.15840	1.0
195.07938	0.4
196.08392	0.6
197.10721	4.0
198.11496	0.4
199.08653	1.9
199.12280	4.9
200.09409	0.9
201.10228	1.9
202.10971	0.9
203.11807	1.1
209.10933	0.3
211.16917	3.4
213.10266	1.3
215.08177	1.8
215.11792	3.1
216.07677	14.6
217.09778	0.5
217.13367	0.7
219.11334	0.5
222.06235	0.2
225.10228	2.2
227.08318	0.3
227.11916	3.2
228.07510	0.4
228.10941	0.6
229.13327	2.5
231.11353	0.4
233.09096	1.0
233.12753	0.4
243.08893	0.4
243.11263	2.4
245.09201	2.2
245.12819	8.0
246.13469	0.4
253.09807	1.6
255.10017	0.6
256.10486	0.7
259.10776	0.8
263.13901	8.8
271.10745	5.2
285.11111	0.4
286.11560	0.5
287.12741	1.2
288.13058	2.1
289.09442	0.3
289.11792	10.6
305.14951	3.4
306.14536	3.5
307.12857	40.7
308.13150	1.0
314.14789	0.6
324.15564	2.0
326.14661	0.3
331.12689	0.4
332.08682	0.6
332.12305	2.9
345.18021	3.7
347.15970	1.1
349.14063	0.5
350.13434	8.3
352.16174	0.6
371.15912	1.0
373.95294	0.3
388.18784	0.5
389.17035	11.7
391.14929	1.5
395.27383	0.3
396.15469	0.3
406.19791	3.9
407.17999	1.2
408.17529	0.4
409.18594	0.3
414.16406	0.4
415.15033	3.7
416.19620	0.3
432.17633	6.5
433.16052	4.8
434.15817	1.0
450.18732	5.7
451.17081	24.8
452.17456	0.6
458.15567	0.4
459.22208	0.5
476.16464	3.7
476.22025	0.4
494.17667	100.0
495.18024	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	493.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84912	1.3
53.03931	4.7
55.01854	4.1
55.05519	2.7
57.03425	6.5
57.07052	1.4
59.04991	9.8
59.06139	1.8
61.02914	8.5
67.05505	8.7
69.03428	22.5
69.07076	2.1
70.89901	3.1
70.90257	2.5
71.04990	14.7
73.02901	5.3
76.46187	1.5
79.05502	10.2
80.93003	1.4
81.03417	8.4
81.07053	29.6
85.02901	100.0
86.79223	1.3
91.03939	4.1
91.05453	7.4
93.07046	12.7
94.04214	1.5
94.06506	1.3
94.07320	1.6
95.04972	3.4
95.08603	5.4
97.02892	26.1
99.04443	5.3
105.07051	4.5
107.04967	1.8
107.08599	13.2
109.02859	7.4
109.06534	11.4
109.10149	17.9
111.08084	6.2
117.07026	1.7
119.42516	1.7
121.10130	2.7
123.11710	25.5
125.09635	1.8
127.03912	26.5
131.08557	3.5
133.06454	3.0
133.10126	11.3
135.07956	1.4
135.11696	2.6
137.05995	8.5
145.04955	41.0
145.10120	1.5
151.07573	1.6
151.11179	69.4
153.12750	4.4
154.70226	1.5
163.06036	14.0
163.07297	2.5
167.07074	3.1
169.12230	10.0
178.18437	1.3
179.30939	1.5
209.25095	1.8
285.11136	1.8
287.05481	2.4
295.24622	3.5
327.12253	3.1
331.07953	1.9
347.64639	1.6
475.30807	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	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48375	0.3
53.03943	0.3
55.01861	0.8
57.03421	0.5
65.03921	0.7
66.04711	0.7
67.05146	0.3
67.05487	0.6
69.03412	0.7
70.95319	0.4
70.95667	0.7
71.04983	2.7
79.05479	1.6
81.03399	0.6
81.07050	1.3
85.02899	3.0
91.05474	7.0
93.07061	0.6
94.04174	4.0
95.04967	1.9
95.08587	0.4
103.05463	4.4
105.07007	3.5
107.04948	1.5
107.08578	0.4
109.06519	1.2
109.10170	0.3
111.04416	0.5
115.05429	1.4
117.07020	0.9
119.04941	3.6
121.06507	2.3
121.10149	0.3
122.01695	0.3
122.03638	8.9
123.04395	0.7
123.08076	0.4
128.06201	0.8
129.05470	0.8
129.06967	1.5
131.04916	7.2
131.08537	0.7
133.06471	2.3
135.04366	0.6
135.08035	2.0
136.05193	0.8
137.05965	100.0
138.06320	0.6
141.06898	0.7
143.04947	0.4
143.08560	0.6
144.05676	0.3
145.06477	1.4
146.03625	0.3
147.08018	0.5
147.11629	0.3
149.05997	3.3
151.07535	25.3
151.91092	0.3
152.06203	1.0
153.01817	0.4
153.06883	0.4
157.06424	1.4
159.08032	0.8
160.05170	0.6
161.05977	4.6
163.07529	16.9
165.07001	2.5
165.09065	1.7
166.07700	0.4
167.07108	0.9
167.08530	4.4
169.06509	0.9
171.08037	0.7
171.77444	0.3
173.05992	0.4
174.06750	1.5
175.07515	3.4
177.06947	0.4
177.09093	1.6
179.08647	0.5
181.04965	0.7
181.06490	1.1
181.10185	0.3
182.07295	0.6
187.07532	2.0
189.09084	4.7
191.08543	0.8
191.10585	0.5
193.06438	1.9
193.10052	0.6
194.07297	0.6
195.08020	6.3
196.08768	0.7
197.05936	0.6
197.09502	0.5
199.07481	0.8
201.09048	1.2
202.07820	0.3
203.08566	0.4
203.10522	0.6
205.06346	0.4
207.10107	0.4
209.09685	0.6
210.06798	1.8
211.07452	0.4
212.08322	1.2
213.09146	0.6
214.09985	0.3
218.07159	0.3
219.08040	1.2
219.10004	0.5
220.08795	0.4
221.05984	3.0
221.09673	0.8
223.07550	2.3
224.08295	1.1
225.05588	0.5
225.09132	2.7
227.07147	0.7
227.10648	7.3
231.08185	0.5
232.08832	0.4
233.09573	0.6
235.07553	0.5
236.08299	0.5
237.09064	0.7
238.06221	1.0
239.10597	0.5
240.07954	0.6
241.08592	0.4
241.12360	0.4
245.09589	0.5
247.07617	0.5
247.11090	0.3
249.09090	1.3
251.10730	1.4
252.07713	1.0
253.08534	2.8
255.06326	0.5
255.07321	0.5
255.10135	7.4
256.10968	0.4
258.05548	0.3
261.09192	0.4
265.12259	0.4
267.10104	2.3
269.08154	0.3
269.11694	0.7
270.08829	0.3
277.12164	0.5
279.10196	0.6
281.11890	0.5
285.11200	6.1
287.05743	0.6
287.12772	18.4
288.13193	0.4
299.12857	0.5
301.14368	0.7
304.10822	0.3
305.11618	1.0
307.13248	0.5
313.14389	3.9
319.13358	1.5
325.14301	1.8
331.04266	0.6
337.14279	1.5
339.15790	0.3
340.07361	0.4
347.03525	0.7
347.07574	9.1
351.15906	4.8
369.17050	0.7
386.79605	0.3
400.16626	0.4
415.18933	2.9
429.31735	0.3
443.18390	2.2
475.21158	2.4
484.77789	0.4
493.22217	1.0
494.17276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96629	4.7
53.03921	7.1
55.01859	13.8
57.03426	15.6
67.05478	8.3
69.03409	14.7
70.72146	5.3
70.72498	20.4
81.03417	10.4
81.07052	5.8
84.08115	7.3
85.02892	48.1
91.05450	8.2
93.07050	6.0
94.06528	7.0
95.04950	10.7
97.02881	22.3
100.12446	5.8
103.05441	8.0
105.07025	12.2
107.04916	6.1
109.02884	10.8
109.10126	8.8
112.03959	7.1
116.98617	6.2
119.04915	6.4
121.02823	13.8
121.89816	5.5
122.06023	28.7
123.04417	17.0
124.07590	11.7
127.03899	12.1
131.04939	10.4
135.04372	9.3
137.05981	15.5
139.03900	7.8
140.07039	68.1
142.08588	8.0
145.06505	6.7
146.05989	48.1
147.04395	11.5
148.07556	12.9
151.03896	17.3
159.04373	9.0
161.06004	10.8
163.03841	14.6
163.07532	8.0
165.05353	7.2
171.04347	11.8
172.03957	21.4
173.05980	8.1
174.05342	7.7
175.03920	30.1
177.05415	24.4
181.04927	22.5
185.06035	9.7
187.03902	19.2
189.05396	21.0
189.87248	5.8
190.04970	63.5
191.03333	11.1
192.06494	12.0
193.04919	44.2
199.03897	8.8
201.05489	20.8
203.06964	9.3
205.04881	56.3
207.06505	10.4
211.04008	6.4
211.05910	13.1
213.05408	16.9
217.04994	39.7
219.02847	17.2
219.06500	24.9
221.04417	17.8
223.05946	36.9
225.05426	9.2
229.04979	22.7
231.06544	26.7
235.05983	54.1
241.04941	17.1
243.06554	15.1
245.08104	7.1
247.05998	93.4
255.06476	10.8
259.05984	100.0
261.07547	6.9
271.05942	35.2
273.07584	13.8
277.07037	62.9
283.06097	27.1
285.07391	17.4
289.07034	91.1
301.06982	70.4
307.08267	27.2
313.06848	65.1
313.11856	5.6
319.08127	32.3
325.09097	74.3
331.08228	10.1
331.12851	59.3
337.09384	30.7
343.08185	43.4
349.13748	8.9
352.10556	8.0
355.10175	25.4
361.09094	35.0
367.07947	12.7
373.09097	23.4
379.10248	31.4
385.09088	24.1
391.10104	41.0
403.10281	32.7
409.11029	8.0
421.11310	45.1
439.12164	22.8
457.13211	12.5
475.81647	7.8
493.17456	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	493.1338
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.42493	0.1
51.64948	0.1
53.03932	0.2
53.10295	0.1
55.01834	0.2
57.03390	0.2
61.02892	0.2
62.49797	0.1
69.03382	0.6
69.53899	1.2
71.04961	0.3
73.02873	0.4
76.28011	0.1
79.05460	0.2
81.03355	0.2
81.07014	0.6
83.85577	0.1
85.02901	0.9
86.56198	0.1
88.36353	0.1
91.05428	0.4
93.07005	0.4
95.08577	0.4
97.02837	0.4
98.21510	0.1
99.04421	0.3
103.03899	0.2
105.06974	0.4
107.08515	0.4
108.71490	0.1
109.10136	0.2
121.06477	0.2
121.10087	0.2
123.11675	0.2
127.03873	0.5
129.01549	0.1
131.04837	0.1
131.08524	0.2
133.06471	0.2
133.10059	0.2
137.05981	1.8
145.04933	0.3
147.09177	0.2
151.07475	0.5
151.11168	0.3
153.01828	0.3
154.02531	0.2
159.06511	0.2
161.05956	0.2
163.07484	0.4
167.06952	0.3
175.07471	0.2
175.14798	0.2
177.09027	0.5
178.02505	0.4
181.04945	0.2
185.10684	0.3
191.08194	0.9
209.08104	0.2
214.06224	0.2
216.07759	0.2
241.04988	0.1
242.05682	1.2
258.05273	1.4
269.04556	0.3
270.05219	6.8
271.05737	0.2
273.03894	0.8
283.17255	0.2
285.11209	0.2
286.04715	1.3
287.05429	3.3
287.12576	0.2
299.05450	0.5
301.03445	1.7
302.04190	1.9
305.15085	0.2
307.12888	0.3
313.03342	0.6
315.04959	28.0
316.05688	3.8
331.08093	100.0
332.08405	1.4
350.13318	0.3
493.12930	1.2
493.19003	0.2
494.17511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01861	4.4
55.05499	6.1
57.03433	3.9
57.07073	2.8
59.98995	1.2
61.02920	2.7
67.05495	6.1
69.03429	13.3
69.07060	5.2
69.36408	2.7
69.36746	13.7
70.06557	1.5
71.04986	5.6
73.02905	2.9
73.12453	1.4
79.05477	7.6
79.37347	1.2
81.03411	10.3
81.07051	14.9
82.06580	1.9
83.04968	2.8
83.08614	6.8
85.02900	36.8
85.06535	4.0
87.00820	13.2
87.04437	1.4
91.05482	9.2
93.07056	11.2
94.06554	2.8
95.04967	15.0
95.08611	10.5
96.08096	2.2
97.02887	12.2
97.06526	18.1
98.20755	2.1
99.04467	6.5
99.08075	4.0
104.35016	1.3
105.01865	12.3
105.07023	17.3
107.08588	16.4
108.08116	1.6
109.02888	9.6
109.06507	37.6
109.10126	8.9
111.04418	1.5
111.08086	4.5
115.07560	8.2
117.07049	2.1
119.04916	1.6
119.08588	13.1
121.10137	23.1
123.08065	7.8
123.11708	3.3
124.07585	2.5
125.09619	3.3
127.03912	16.5
127.07575	2.6
129.06995	2.0
131.08560	12.0
133.10123	58.4
135.08029	7.4
135.11684	5.1
137.05960	10.5
137.09557	1.5
138.05460	1.6
139.11169	3.6
143.10649	1.8
145.04967	6.6
145.10077	6.8
147.11674	24.7
149.09602	1.9
149.10873	1.7
149.13301	7.2
151.07501	3.6
151.11172	8.4
153.09103	13.9
158.10886	2.8
159.02864	3.9
161.06035	2.6
161.13152	1.3
163.07497	1.7
163.14786	5.9
165.12727	9.4
171.10159	3.3
173.13246	32.9
175.14789	2.4
191.14299	49.4
209.15356	85.6
210.15666	2.6
227.16403	100.0
228.16670	1.9
231.05048	3.4
249.06113	2.0
258.22241	1.8
267.10150	1.6
271.05853	2.1
276.23242	4.1
285.11206	1.6
286.12064	2.0
287.12576	1.7
294.24295	6.0
312.13467	1.8
312.25464	3.2
330.10834	2.4
330.14609	12.0
330.26089	2.0
331.15405	1.9
439.19397	2.0
456.29831	1.8
456.36462	1.5
456.82800	1.6
457.20609	2.5
474.30310	3.7
475.21674	2.4
492.19662	2.9
492.31421	5.0
493.16937	6.1
503.67273	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.90191	1.4
55.01865	2.9
55.05514	7.0
57.03428	3.8
57.07069	1.4
59.04984	1.6
61.02929	2.3
65.30700	1.4
67.05502	6.2
68.30905	1.5
68.99817	1.6
69.03132	1.3
69.03436	15.7
69.07068	7.9
70.06582	1.6
71.04994	4.7
71.63013	1.9
73.02916	2.3
79.05494	5.7
81.03422	11.3
81.07053	17.0
83.04987	3.6
83.08635	8.0
85.02903	35.0
85.06538	4.6
87.00830	15.3
91.05479	11.5
91.17964	1.3
93.07047	11.1
94.06579	2.9
95.04964	14.7
95.08598	10.5
96.08148	1.7
97.02885	12.4
97.06513	20.9
99.04449	11.1
99.08093	3.5
105.01848	16.4
105.07032	19.0
107.08598	15.4
109.02882	9.3
109.06515	37.4
109.10157	12.9
111.08076	3.2
113.09606	1.6
115.07565	8.4
117.07011	1.5
119.04893	1.6
119.08588	14.2
121.10139	23.3
123.08046	9.6
123.11720	4.6
125.05995	1.6
125.09647	5.2
127.03900	19.0
127.07484	1.5
131.08545	14.7
133.10126	58.2
135.08034	7.0
135.11684	4.2
137.05971	8.8
137.09604	1.7
139.11200	3.1
139.21387	1.6
143.08488	2.6
145.04906	8.0
145.10101	6.2
147.11681	34.0
149.09607	2.3
149.13255	6.1
151.07573	3.2
151.11185	7.8
153.09088	15.0
158.10878	3.0
159.02870	3.1
161.05966	1.6
163.07538	2.2
163.14848	6.3
165.12749	10.6
173.13255	31.1
175.07607	2.3
175.14803	2.4
191.14302	58.5
209.15363	98.6
210.15662	1.7
213.03963	1.4
225.09055	1.5
225.14905	4.3
227.16420	100.0
228.16570	2.2
231.04903	3.4
237.60435	1.4
249.06004	2.0
253.08585	1.7
261.82193	1.5
271.06018	4.2
276.23334	2.8
287.12857	2.8
294.24289	6.8
300.13916	1.5
312.25424	4.6
330.10876	2.3
330.14609	13.5
330.25995	1.4
330.91876	1.5
331.15448	1.5
340.63513	1.5
359.53073	1.3
379.13361	1.5
438.48807	1.6
457.20331	3.0
474.30716	4.0
475.21722	1.9
492.20706	6.1
492.31384	3.7
493.16907	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.90191	1.4
55.01865	2.9
55.05514	7.0
57.03428	3.8
57.07069	1.4
59.04984	1.6
61.02929	2.3
65.30700	1.4
67.05502	6.2
68.30905	1.5
68.99817	1.6
69.03132	1.3
69.03436	15.7
69.07068	7.9
70.06582	1.6
71.04994	4.7
71.63013	1.9
73.02916	2.3
79.05494	5.7
81.03422	11.3
81.07053	17.0
83.04987	3.6
83.08635	8.0
85.02903	35.0
85.06538	4.6
87.00830	15.3
91.05479	11.5
91.17964	1.3
93.07047	11.1
94.06579	2.9
95.04964	14.7
95.08598	10.5
96.08148	1.7
97.02885	12.4
97.06513	20.9
99.04449	11.1
99.08093	3.5
105.01848	16.4
105.07032	19.0
107.08598	15.4
109.02882	9.3
109.06515	37.4
109.10157	12.9
111.08076	3.2
113.09606	1.6
115.07565	8.4
117.07011	1.5
119.04893	1.6
119.08588	14.2
121.10139	23.3
123.08046	9.6
123.11720	4.6
125.05995	1.6
125.09647	5.2
127.03900	19.0
127.07484	1.5
131.08545	14.7
133.10126	58.2
135.08034	7.0
135.11684	4.2
137.05971	8.8
137.09604	1.7
139.11200	3.1
139.21387	1.6
143.08488	2.6
145.04906	8.0
145.10101	6.2
147.11681	34.0
149.09607	2.3
149.13255	6.1
151.07573	3.2
151.11185	7.8
153.09088	15.0
158.10878	3.0
159.02870	3.1
161.05966	1.6
163.07538	2.2
163.14848	6.3
165.12749	10.6
173.13255	31.1
175.07607	2.3
175.14803	2.4
191.14302	58.5
209.15363	98.6
210.15662	1.7
213.03963	1.4
225.09055	1.5
225.14905	4.3
227.16420	100.0
228.16570	2.2
231.04903	3.4
237.60435	1.4
249.06004	2.0
253.08585	1.7
261.82193	1.5
271.06018	4.2
276.23334	2.8
287.12857	2.8
294.24289	6.8
300.13916	1.5
312.25424	4.6
330.10876	2.3
330.14609	13.5
330.25995	1.4
330.91876	1.5
331.15448	1.5
340.63513	1.5
359.53073	1.3
379.13361	1.5
438.48807	1.6
457.20331	3.0
474.30716	4.0
475.21722	1.9
492.20706	6.1
492.31384	3.7
493.16907	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	492.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78122	1.8
56.35043	1.7
57.03425	2.7
61.02908	2.0
64.37505	1.5
67.84010	1.9
69.03418	5.4
71.59336	2.4
73.02912	4.8
81.03413	2.9
85.02906	16.7
91.05466	1.7
97.02896	7.3
103.03928	6.2
105.59450	1.9
107.04961	2.0
111.04420	1.9
115.05450	3.2
123.04429	2.4
127.03896	3.4
129.06978	2.4
129.42220	1.7
131.04939	3.3
133.06516	2.0
135.04434	12.3
137.02336	2.6
137.06012	1.6
139.03923	7.7
143.04889	10.0
144.57776	1.7
145.02812	1.9
145.04942	3.2
147.04427	14.8
149.05910	1.9
157.06493	3.8
161.05974	29.4
163.03899	75.8
165.05447	2.9
169.06508	2.9
171.04379	5.1
175.03931	9.1
175.07491	1.8
177.05479	7.0
181.04977	3.9
185.05980	4.7
187.03934	3.6
189.05450	34.5
191.03424	2.9
193.04944	32.1
193.70503	1.7
201.05438	2.8
203.07034	3.3
205.05023	7.9
207.06578	3.7
213.05440	14.7
215.03099	1.8
215.07043	4.9
216.09106	1.8
217.04947	15.1
219.06375	2.0
231.06500	14.4
235.05986	35.2
241.04903	2.4
247.06068	1.8
249.07562	2.3
259.05984	23.0
277.07065	21.2
290.96140	1.7
295.08121	100.0
296.08389	2.2
439.70615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01854	3.1
55.05508	18.0
57.03434	3.8
57.07078	14.7
59.04992	1.7
61.02910	2.8
64.86073	1.5
65.03930	2.1
67.05499	37.4
69.03421	7.4
69.07065	50.1
69.86905	11.4
71.04979	2.4
71.08624	4.4
73.02913	2.7
79.01658	1.9
79.05478	11.7
81.03407	5.2
81.07047	94.7
83.04986	2.5
83.08617	31.7
83.68851	1.9
85.02895	16.6
85.06538	8.8
85.10156	3.0
91.05458	7.8
93.07040	22.4
95.04958	3.8
95.08598	100.0
97.02876	4.8
97.06502	2.8
97.10173	24.8
99.08094	6.2
105.07047	8.4
107.04964	2.7
107.08584	16.0
109.02853	3.9
109.06522	2.7
109.10144	69.8
111.08089	3.2
111.11718	21.6
113.09663	2.2
119.08572	7.9
121.06482	3.6
121.10126	12.1
123.04425	2.4
123.08052	2.3
123.11704	31.4
125.09632	4.0
125.13248	8.3
127.03913	5.9
127.11150	2.7
131.08539	3.9
133.10133	4.7
135.11687	11.9
137.05998	9.6
137.09610	3.6
137.13243	26.3
139.11139	3.7
139.14830	2.3
143.14380	2.6
145.04924	3.0
145.06470	2.7
145.10152	3.4
147.04370	1.7
147.11714	3.7
149.13251	15.4
151.07510	5.0
151.14795	14.0
155.14276	3.1
159.11644	2.3
161.06058	2.6
161.09569	2.1
161.13176	2.3
163.06013	2.6
163.07437	1.7
163.14792	7.6
165.09123	17.9
165.16399	6.1
167.07066	7.3
167.14351	2.5
173.13240	2.7
175.07491	2.4
177.16362	4.4
179.10603	1.7
179.17946	4.8
181.04875	2.3
183.13640	2.0
191.07132	1.9
191.17845	5.0
193.19540	4.3
205.12196	2.1
205.19484	1.9
207.17282	2.1
219.21077	5.0
225.18466	2.9
263.27444	9.3
275.27347	17.1
281.28369	10.0
293.25342	2.9
293.28372	35.2
311.29388	7.7
380.03897	2.0
491.12640	2.3
491.18185	4.1
491.23907	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01856	3.2
55.05259	1.8
55.05505	21.5
57.03416	2.8
57.07074	14.8
59.04990	1.6
59.86247	1.5
65.03909	3.0
67.05168	2.7
67.05500	34.5
69.03417	6.0
69.07062	52.7
71.04978	2.5
71.08620	7.6
71.60687	2.9
79.05470	10.3
81.03384	1.8
81.07050	96.3
83.04980	1.5
83.08615	32.1
85.02898	19.2
85.06529	5.5
91.05466	5.9
93.07034	21.5
95.04961	3.4
95.08601	100.0
97.02869	6.8
97.06557	2.6
97.10166	22.7
99.08060	7.2
105.07031	7.6
107.04939	3.5
107.08592	19.0
109.02818	2.5
109.06516	2.6
109.10147	65.7
110.10483	1.8
111.04405	1.7
111.08034	2.6
111.11716	19.8
113.09641	3.7
117.07007	2.9
119.08558	5.8
121.06443	2.2
121.10120	15.1
123.04422	2.7
123.08027	2.0
123.11706	36.9
125.13241	13.3
127.03905	3.6
129.06956	1.6
130.96753	1.4
131.04884	3.5
131.08539	2.3
133.10117	2.9
135.11679	15.5
137.05995	7.2
137.09575	3.0
137.12297	2.9
137.13242	26.6
139.11159	4.8
139.14803	3.8
145.04967	3.3
145.06500	1.9
145.10059	2.5
147.07935	1.6
147.11693	2.7
149.13219	17.2
151.03925	1.5
151.07446	1.9
151.14784	13.1
153.16467	2.0
155.14310	2.3
159.11621	2.0
161.13217	3.2
163.07463	2.2
163.14862	8.3
165.09076	15.8
165.16415	8.5
167.07072	7.4
167.14297	3.0
169.15840	2.6
177.16379	3.5
179.17914	4.6
181.04935	3.8
185.13281	1.8
187.14709	1.6
191.07021	3.6
191.17970	2.1
193.19447	1.9
205.19447	3.8
207.21075	2.4
209.08170	1.8
219.21028	2.9
225.18491	2.0
237.22256	2.2
263.27380	10.4
275.27341	13.8
281.28348	10.9
293.28333	38.9
296.46152	1.8
311.29343	5.9
396.66040	1.9
491.13382	7.7
491.24588	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	491.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52697	0.3
55.01863	0.6
57.03192	0.5
57.03436	6.3
61.02921	2.4
68.57938	0.3
69.03427	4.1
70.73322	0.6
70.73662	0.4
71.01341	0.8
71.04974	0.3
73.02914	14.5
80.05028	0.4
81.03395	1.0
83.19544	0.3
85.02431	0.4
85.02902	5.7
85.07636	0.3
87.04468	1.0
91.05510	0.4
92.04980	0.6
93.05778	0.6
94.06552	0.7
95.04934	0.4
97.02882	2.9
99.04431	0.5
101.02354	0.4
103.03922	0.4
109.02861	0.7
110.06040	0.6
115.03905	1.5
117.37993	0.3
119.05191	0.6
119.06054	11.1
120.04420	0.3
120.06819	0.5
121.06509	0.2
121.07571	0.4
122.06026	0.4
123.06805	0.8
124.03920	0.4
127.03910	1.0
135.05522	0.4
136.06313	0.5
137.06116	0.5
137.07068	2.1
138.05531	0.9
139.50401	0.4
140.07010	0.3
145.04932	0.5
145.06514	0.4
147.05516	9.4
148.03986	1.5
148.06305	37.2
149.07098	30.0
150.05482	1.0
150.07536	0.4
151.08627	1.2
152.07100	0.3
158.60426	0.3
164.05772	1.0
164.07065	0.4
165.06589	24.1
166.07379	5.2
177.05382	0.3
179.08148	42.9
180.08540	0.5
197.09204	43.1
198.09506	0.7
207.07693	0.4
220.49719	0.3
275.09323	0.4
280.06799	0.3
359.14465	100.0
360.14755	2.0
486.56918	0.3
491.18701	56.1
492.18823	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	14.9
67.05495	15.7
71.42459	18.8
74.36569	13.2
79.05503	21.8
81.03421	20.9
81.07039	40.2
83.04960	17.2
88.57664	13.8
90.79227	13.0
91.05478	28.5
93.07037	38.1
95.04977	16.4
95.08598	37.2
98.74176	14.7
101.03101	13.3
105.07025	62.3
107.08551	25.6
109.10142	22.4
109.31604	12.1
117.07023	29.4
119.08561	23.6
121.10130	17.1
123.04390	19.9
133.10060	23.0
143.41742	13.0
145.06490	28.6
145.10052	17.0
147.04361	17.4
147.11688	30.3
149.05959	15.2
155.08549	24.8
161.05969	43.0
163.07523	16.4
171.93958	13.3
173.05998	31.7
177.05411	21.8
179.08553	17.7
182.98453	12.6
183.07915	17.8
186.57214	16.3
187.03758	15.1
187.07521	16.7
189.05403	15.3
201.09187	18.3
204.04816	16.1
205.08649	18.3
211.07491	16.4
225.09090	16.7
241.08350	16.1
243.10056	21.4
249.07542	70.6
249.31177	17.4
303.06512	22.4
327.10046	21.5
329.08246	14.6
330.08771	17.4
332.06943	15.7
333.07706	23.9
343.09732	16.6
345.07437	15.9
345.11099	35.0
349.06995	26.0
354.08609	20.3
355.09631	29.8
356.10181	17.0
363.12241	29.9
367.13635	19.1
371.12781	34.3
372.09775	26.2
373.10654	30.4
375.08267	19.9
377.11481	15.6
385.14429	29.8
390.10873	45.9
391.11707	100.0
393.09641	31.4
395.12674	33.2
403.15399	32.4
413.13867	42.7
414.14270	26.4
422.13763	30.2
431.14731	35.2
432.11795	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	491.1544
Annotation	Cladrastin 7-O-glucoside
Peak:m/z	Relative Intensity
67.05480	0.2
69.41060	1.1
69.41477	0.3
81.03399	0.2
81.07041	0.2
85.02892	0.3
85.06531	0.2
91.05476	0.2
93.07018	0.2
95.08627	0.2
105.07030	0.2
107.04935	0.3
107.08633	0.2
109.10147	0.2
119.04894	0.2
121.10085	0.2
137.02324	0.2
137.05983	1.4
137.09595	0.2
150.25238	0.2
151.07536	0.7
153.01860	0.6
161.05994	0.3
163.03877	0.8
163.07591	0.2
167.03409	0.6
167.06999	0.4
168.07332	0.2
183.07629	0.2
193.05045	0.2
197.04390	1.3
197.05750	0.2
203.78419	0.2
209.08038	0.2
211.43250	0.2
215.07002	0.3
225.05464	0.2
227.07083	0.2
238.06279	0.3
239.06984	0.2
239.87433	0.2
243.06487	0.5
243.15909	0.7
251.06859	0.3
253.04942	0.6
255.06706	0.3
266.05875	0.2
267.06522	0.8
268.07312	0.3
269.04425	0.3
269.07996	0.2
270.05344	0.7
271.05997	4.5
281.04257	0.2
282.05618	0.2
283.05963	0.4
284.06577	0.2
285.04349	0.3
285.07529	2.6
295.06006	0.9
296.06778	0.5
297.07492	0.4
297.10864	0.2
298.04639	0.6
299.05487	4.9
299.08920	0.3
306.34879	0.2
313.07034	19.8
314.07791	6.6
323.12961	0.2
327.11807	0.2
329.10165	100.0
330.10510	1.2
367.15387	0.2
416.35629	0.2
456.68301	0.2
491.14459	0.7
491.25302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07231	0.6
53.03942	2.4
55.01870	1.8
55.05497	4.0
57.03428	2.8
57.07077	1.0
61.02921	1.9
67.05496	4.2
68.85493	0.6
68.99777	0.8
69.03424	8.0
69.07075	2.6
71.04991	1.4
71.24406	1.1
71.24747	1.2
73.02904	3.1
79.05479	3.3
81.03412	9.3
81.03846	0.8
81.07047	7.8
82.08647	0.6
83.04977	4.8
83.08630	1.0
85.02897	33.3
85.06538	3.7
86.06876	0.9
87.00831	7.8
91.05471	2.7
93.07044	4.3
95.04964	2.1
95.08601	5.8
97.02881	12.7
97.06522	3.2
99.04449	4.1
105.01862	9.4
105.07030	5.7
107.04896	1.1
107.08584	9.5
109.02871	9.6
109.06504	12.2
109.10138	5.4
111.08081	3.0
115.03956	0.7
117.01879	0.9
119.08578	7.8
121.06522	1.1
121.10136	13.3
123.08057	6.1
123.11692	16.2
124.07558	0.6
125.05982	12.3
125.09624	1.5
127.03905	15.0
129.01830	1.2
131.08545	2.1
133.10107	3.6
135.08066	2.1
135.11673	2.7
137.05977	3.4
137.09601	22.8
137.13226	2.0
139.07521	3.8
145.04939	5.8
145.10123	2.3
147.04424	0.9
147.07996	1.5
147.10509	0.7
147.11665	14.4
148.20564	0.6
149.09602	7.4
151.07523	2.4
153.12741	0.7
156.09346	1.1
159.02907	2.7
161.09671	0.9
161.13258	6.6
163.11165	2.9
164.07071	1.4
165.09113	6.0
165.12743	100.0
166.09439	0.9
166.13066	1.0
167.07069	1.1
171.11665	2.8
174.10416	2.2
179.14307	8.4
187.05806	0.6
189.12726	19.1
207.13786	82.2
208.14018	1.4
213.03984	2.2
223.16908	0.8
225.14838	28.2
231.04996	4.0
248.16107	0.8
287.05487	14.8
293.13766	0.8
310.27930	0.6
419.16714	1.1
437.17905	1.0
455.19165	1.1
490.21808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05495	2.0
67.05499	1.1
69.03416	3.3
69.07050	1.7
69.87302	1.6
69.87711	4.0
73.02890	1.4
79.05491	1.4
81.03446	0.9
85.02905	6.1
86.09683	1.4
91.05483	5.4
93.07041	2.3
95.08586	1.9
97.02868	2.2
97.25854	0.9
98.97587	1.2
105.01859	1.5
105.07013	10.1
107.08591	2.6
109.06532	2.0
117.06976	1.6
119.08562	12.6
121.02827	3.7
121.10130	1.6
123.11698	1.5
127.03940	2.1
130.07819	1.1
131.08545	2.0
133.06442	7.9
133.10101	2.2
137.05981	1.7
137.09575	1.1
137.65228	0.9
141.06917	1.2
143.08562	1.1
145.04958	1.3
145.10110	14.8
147.08008	1.1
147.11671	24.2
149.09499	1.3
156.09311	4.0
159.07903	0.9
161.09671	1.0
171.11693	2.7
174.10417	1.1
189.12726	100.0
190.13022	1.3
207.13811	12.0
225.14783	1.9
229.92479	1.0
237.05350	1.9
265.04926	2.1
266.05765	1.4
278.09177	1.0
283.05884	1.6
284.06860	0.9
287.05420	1.2
293.04556	1.6
300.08801	1.1
300.23694	1.0
303.04846	1.3
311.05481	23.6
313.06955	1.1
322.07104	1.7
328.08163	18.1
340.07950	1.5
352.08154	2.6
370.09244	2.5
373.29764	1.0
394.09219	1.4
395.03073	1.3
436.10144	1.1
454.11240	1.9
472.12540	2.1
490.13348	3.3
490.23349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.33652	2.1
53.03926	2.2
55.01862	2.5
55.05502	15.1
57.03425	3.2
57.07071	5.8
65.03939	1.8
65.29330	1.7
67.05499	36.9
69.07067	17.1
70.19632	5.8
78.08109	1.8
79.05482	18.8
81.07051	26.0
82.34943	1.8
83.08598	10.1
85.06546	2.7
91.05480	18.1
93.07032	43.6
95.04979	3.1
95.08598	45.8
95.09141	3.6
97.06548	5.8
97.10167	5.4
105.07010	19.3
107.08582	62.3
107.09264	3.8
109.06558	3.1
109.10148	32.3
111.08092	6.3
117.07047	7.9
119.08572	27.2
119.09326	2.1
121.06544	5.4
121.10130	100.0
123.08099	3.4
123.11734	8.4
124.07703	2.0
124.39000	2.0
125.09683	2.3
129.06999	3.4
131.08533	13.4
133.10112	17.8
135.08040	10.8
135.11707	19.3
137.09645	3.6
137.13277	3.9
139.07509	30.3
139.08427	2.0
143.08607	4.7
145.10094	16.0
147.11678	18.5
149.09666	9.0
149.13280	6.1
153.09082	36.7
157.10223	4.7
159.11748	11.0
161.09598	1.9
161.13318	7.8
163.07568	7.6
163.11183	4.9
163.14815	38.4
163.16084	2.8
166.06779	2.1
167.10663	27.1
167.11925	2.5
171.11749	4.6
173.11847	3.5
173.13324	12.2
175.14870	4.3
177.16391	4.7
185.13316	5.2
187.14766	10.4
189.16412	2.1
191.10692	3.2
191.14345	4.2
191.17972	14.6
197.13249	3.8
201.16405	2.9
203.18060	3.7
205.15855	34.9
205.17528	2.5
209.15308	13.3
215.14299	2.8
215.18040	2.2
219.13861	3.5
223.16913	40.1
223.18887	2.8
227.17972	2.3
233.15366	40.0
251.16403	52.0
261.22241	4.1
269.17352	4.4
332.67404	2.2
333.43265	2.2
379.29993	4.0
383.33197	5.7
397.31174	8.2
415.32019	2.4
425.34329	12.1
430.51740	2.5
431.85446	2.1
443.35178	48.9
453.33749	4.8
471.34885	26.9
489.35953	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
54.16283	2.1
55.05499	16.3
56.72502	2.1
57.03414	3.4
57.07069	9.6
61.69074	2.1
62.78170	1.9
62.91936	2.2
65.03931	2.5
66.93159	2.1
67.05500	38.3
69.03422	8.1
69.07058	39.4
70.85687	7.6
71.08624	3.8
79.05485	16.4
80.40392	2.1
81.03396	3.2
81.06570	4.6
81.07052	94.9
83.04958	4.3
83.08607	23.9
85.02891	13.1
85.06520	2.4
86.55718	2.2
88.82857	2.0
91.05476	9.1
93.07038	42.3
95.04978	5.8
95.08601	100.0
97.02871	3.6
97.06518	3.7
97.10166	12.3
105.07022	16.0
107.08580	37.0
109.06522	3.0
109.10150	51.4
109.10910	2.6
111.08073	2.7
111.11713	7.5
117.07006	2.2
119.08591	9.1
121.10130	30.9
121.10920	3.4
123.11697	35.8
125.13248	4.6
133.06622	2.3
133.10120	7.2
135.11685	34.4
137.06012	2.9
137.09558	2.9
137.13249	17.7
139.11162	3.1
145.04961	4.1
147.08051	2.1
147.11684	14.4
149.13237	29.3
151.14838	5.4
153.12775	2.7
159.11505	2.2
161.13188	6.5
163.14798	10.6
165.09103	6.5
165.16345	4.0
167.06990	5.4
175.14828	2.3
177.16379	11.6
181.05008	3.7
183.13843	4.3
189.16403	4.3
191.17979	7.9
203.17842	4.8
210.17804	2.4
217.19547	4.6
247.24231	2.5
257.18726	2.4
261.25848	4.2
273.25781	17.7
291.26770	12.8
297.28012	4.6
309.27905	8.8
489.17493	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01857	2.7
55.05505	20.9
57.07072	15.4
65.03931	3.2
65.46025	2.1
67.05501	40.8
69.03433	8.7
69.07067	43.5
69.48837	22.9
71.04999	4.4
71.08629	7.5
73.02924	3.7
79.05494	22.8
81.03423	6.3
81.06570	5.4
81.07051	100.0
83.04980	3.2
83.08620	24.6
85.02893	22.4
85.06535	8.1
85.10171	5.2
91.05476	19.2
93.07038	56.6
95.04961	7.2
95.08603	89.9
97.02882	7.8
97.06519	5.0
97.10152	18.5
99.08070	5.7
105.01872	2.9
105.07023	31.5
107.08578	43.9
109.02876	4.1
109.06497	5.3
109.10152	61.2
111.08063	4.2
111.11732	10.2
115.05478	2.4
117.07029	3.6
117.99067	2.4
119.08576	27.1
121.06499	4.8
121.10139	28.9
122.25632	2.4
123.08060	7.4
123.11702	23.8
125.09644	4.7
125.13224	4.7
127.03940	4.0
127.11211	2.6
131.08582	5.0
133.10126	25.2
135.11699	28.1
137.06001	4.0
137.09593	10.0
137.13272	11.6
138.91431	2.6
143.14255	2.9
143.31613	2.3
145.04941	4.6
145.10112	6.3
147.11682	19.4
149.13261	27.6
151.11226	4.0
151.14813	5.6
155.10689	4.0
159.11652	3.9
161.13235	15.4
163.14832	10.6
165.09152	7.1
165.12798	5.1
165.16370	5.4
167.07001	7.1
171.11711	3.3
175.07579	3.5
175.14789	7.0
177.16377	8.8
179.10802	2.4
179.14380	3.0
181.04832	3.0
189.12675	2.6
189.16394	8.0
191.06973	3.0
191.17964	8.1
203.07086	3.3
203.17957	3.7
205.19443	2.9
217.19431	6.6
241.21518	3.7
244.71484	2.3
247.24232	3.2
261.25867	3.0
273.25751	26.0
279.26767	15.2
285.11264	2.5
291.26746	29.4
309.27820	13.1
327.12094	7.2
489.17331	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	489.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01871	2.9
55.05508	25.3
57.03444	2.8
57.07069	13.8
67.05502	38.0
69.03430	7.9
69.07066	44.5
70.37981	12.7
71.04983	6.1
71.08627	10.5
79.05491	29.3
81.03419	5.3
81.07055	98.5
83.04983	3.2
83.08616	21.8
85.02904	12.0
85.06531	9.2
85.10202	3.3
91.05484	18.3
93.07037	54.7
95.04974	9.4
95.08601	100.0
97.02903	7.6
97.10162	19.3
98.20778	2.3
99.08109	3.9
103.05441	3.3
105.07027	32.9
107.04994	3.9
107.08591	37.7
109.06544	4.9
109.10152	54.6
111.08109	5.1
111.11723	9.0
117.07000	3.8
119.08580	31.4
119.88250	2.5
121.10133	34.7
123.04465	3.0
123.08083	6.7
123.11695	25.9
127.03918	5.0
127.11187	2.5
131.08524	6.1
133.10144	33.0
135.11700	29.2
137.05969	10.6
137.09608	9.6
137.13239	7.4
137.46164	3.1
139.11197	4.3
143.08646	2.8
143.18692	2.8
145.10143	9.8
147.11722	19.8
149.05949	3.1
149.09612	3.9
149.13245	28.9
151.07625	3.0
151.11163	3.3
151.14847	7.0
155.08479	2.9
155.10672	4.9
159.11732	5.1
161.09587	3.7
161.13263	11.8
163.11237	2.8
163.14803	13.8
165.09123	10.5
165.12718	6.2
165.16405	5.5
167.07051	5.7
173.13208	3.5
175.14876	7.8
177.16417	9.5
179.17975	3.5
181.04974	6.2
189.16426	8.7
191.18011	5.8
203.17943	6.5
205.19507	4.1
217.19553	7.0
220.74561	2.8
223.95662	2.6
255.85635	2.5
273.25784	24.8
279.26862	14.8
291.26773	24.2
293.14944	2.8
309.27914	11.6
327.12341	7.8
452.59943	2.7
466.32697	3.2
489.17014	3.6
489.23596	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01860	2.2
55.05509	17.5
57.03423	3.3
57.07070	9.6
57.78299	1.8
61.02954	1.7
64.04565	1.6
66.77177	1.6
67.05501	33.5
69.03430	9.1
69.07062	45.7
69.43978	17.3
71.04996	2.4
71.08629	4.2
74.21754	1.6
79.05494	25.0
81.03415	5.9
81.07053	87.4
83.04981	2.9
83.08620	22.1
85.02899	31.7
85.10164	1.8
87.00793	2.3
90.54091	1.7
91.05481	12.5
93.07037	40.4
95.04964	5.2
95.08604	100.0
97.02885	7.0
97.06512	4.0
97.10165	17.4
98.21510	1.8
99.04411	2.3
99.08080	2.8
105.07029	12.1
107.04969	2.3
107.08592	36.3
109.02903	3.8
109.06544	3.3
109.10151	61.1
111.08083	3.8
111.11700	11.1
115.58783	1.6
115.74387	1.5
117.07021	2.6
119.08585	10.4
121.10135	33.9
123.04464	2.3
123.08020	2.4
123.11708	35.0
125.09626	2.7
125.13286	8.9
127.03917	4.4
131.08586	2.1
133.10106	9.4
135.08067	2.0
135.11681	46.1
137.05981	6.5
137.09637	3.8
137.13248	19.7
139.11211	7.6
145.04970	3.1
145.10101	3.6
147.11662	10.5
148.11978	1.6
149.09558	2.0
149.13251	37.5
151.07495	2.6
151.11118	3.1
151.14810	9.5
153.12698	5.4
157.10284	2.1
161.05920	1.6
161.13268	6.3
163.14803	24.5
165.05472	3.1
165.09109	4.9
165.12706	2.5
165.16408	5.3
167.07068	7.2
173.06023	2.0
173.13458	2.1
175.14832	3.6
177.16371	13.5
181.05014	3.5
184.04504	1.6
189.16231	3.7
191.17940	11.6
203.17989	4.3
205.19635	3.3
207.08176	1.7
209.19061	2.6
217.19562	5.7
223.20491	1.9
232.47478	1.7
241.21480	1.8
246.08984	1.7
247.24019	3.7
253.08623	2.4
273.25766	22.5
285.11282	2.2
291.26825	13.7
309.11066	1.7
309.27838	4.0
327.12289	5.5
459.16440	2.2
489.17743	6.6
489.75021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01852	0.9
56.05028	1.5
57.03434	11.0
58.06594	4.2
59.06384	0.8
60.04530	1.4
61.02929	3.8
69.03425	6.6
69.61797	5.9
70.06597	6.1
71.01360	1.5
73.02913	20.5
79.05499	2.2
81.03427	1.6
81.07067	0.8
81.75156	0.7
83.81219	0.7
84.04515	2.5
84.10892	0.7
85.02906	8.8
91.05462	0.9
92.82401	0.7
95.04943	1.1
95.87475	0.7
97.02889	6.3
103.85299	0.8
105.07025	1.0
107.04947	100.0
108.05289	1.1
110.06042	0.9
112.07587	0.8
113.46312	0.8
115.03905	4.7
121.06550	1.2
123.04430	4.3
126.05555	1.2
127.03927	1.5
133.06503	3.7
134.06015	1.0
135.06990	1.1
135.08086	2.7
145.04958	1.9
145.42155	0.8
150.09206	1.1
151.07544	2.5
159.08046	1.6
163.20667	0.8
176.10699	8.4
177.09082	0.9
194.11775	18.9
216.62856	0.7
219.94643	0.7
338.15878	1.6
356.17010	20.5
488.21317	11.9
489.22183	0.8
501.51559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1543
Annotation	Achyrodimer A
Peak:m/z	Relative Intensity
53.03935	0.5
55.01871	0.4
55.05518	0.3
62.12909	0.3
65.03922	0.7
65.72308	0.3
67.05496	0.7
68.99802	1.8
69.03447	0.4
69.07059	0.5
71.63472	0.4
71.96390	0.3
79.05492	6.2
81.03410	0.8
81.07046	2.2
83.04978	0.3
91.05473	3.4
92.80267	0.3
93.07034	0.9
94.04189	0.5
95.04949	2.4
95.08599	1.3
102.04662	0.4
103.05447	0.9
105.03408	0.4
105.04547	0.4
105.07014	1.1
106.04194	0.4
107.04948	10.9
107.08591	1.0
108.05741	0.5
109.02875	0.8
109.06512	0.9
109.10163	0.6
111.04465	0.6
111.08089	1.0
115.05477	0.3
118.04193	0.5
119.04959	1.8
119.08574	0.9
121.06537	0.8
121.10159	0.8
122.03647	0.4
123.04415	0.9
123.08029	0.3
123.11713	0.6
124.05197	7.4
125.05989	1.2
127.97050	0.4
131.04959	0.5
131.08504	0.4
133.02869	2.1
133.06519	0.9
133.10110	0.6
135.04410	0.7
135.11665	0.6
137.02380	0.7
137.05980	1.3
138.03117	1.1
139.03908	1.1
139.07533	11.6
144.05687	0.4
145.06514	0.4
145.10112	0.3
147.04387	2.0
147.11668	0.5
149.05948	0.6
150.03082	0.4
151.03899	1.7
152.04680	5.6
153.05473	3.9
153.06764	0.4
155.04961	0.4
157.10001	0.5
159.11626	0.4
159.57458	0.4
161.05963	0.7
161.13226	0.4
162.03157	1.5
163.03903	1.3
164.04700	0.6
165.05556	0.6
165.07039	1.2
165.09126	0.5
165.12689	0.4
167.03404	2.3
167.07031	24.8
170.02174	0.5
173.06067	0.3
173.13287	0.4
175.03934	0.4
176.04666	1.3
176.06096	0.5
177.05472	5.2
177.06963	0.3
178.07744	0.8
179.07034	1.7
179.08583	1.5
181.04958	1.7
181.06477	0.9
181.08543	0.3
182.07330	0.6
183.08116	0.4
184.05220	1.0
189.07025	0.9
190.06215	0.8
190.07756	0.6
191.06958	0.9
191.08560	1.3
192.04192	0.5
194.07277	0.5
195.07985	0.7
196.05200	0.6
197.06046	1.5
200.78484	0.3
202.51518	0.3
204.05989	0.3
205.06551	1.6
206.07333	0.7
207.06480	0.8
207.08092	1.3
208.08847	0.6
209.05977	0.6
209.09639	0.3
210.06657	0.6
211.07616	0.6
218.07265	1.4
219.08060	3.0
221.05978	2.6
222.06714	1.5
223.07556	1.0
225.05431	0.5
229.06586	0.5
231.08089	0.6
233.05972	1.4
234.06776	1.4
235.07521	3.1
236.08385	1.0
237.05460	1.0
238.06082	0.7
239.07008	1.0
243.06499	0.4
245.06017	0.7
246.06740	3.2
247.07498	5.5
248.04539	0.3
248.08279	0.7
249.05551	2.8
249.07986	0.3
249.09148	0.5
250.06287	2.1
251.06963	1.6
253.05148	0.7
257.06018	0.6
258.06781	0.5
259.07526	1.0
260.04681	0.4
260.08423	0.4
261.05417	1.2
261.09210	0.6
262.06299	1.1
263.06985	2.7
264.07751	1.5
265.04977	0.7
265.08630	1.4
266.05734	2.7
267.06552	1.1
268.07159	0.4
271.07559	0.5
273.05521	1.0
273.08798	0.3
274.06192	3.7
275.06967	6.8
275.09747	0.5
276.07858	1.0
277.05011	1.9
277.08566	1.3
278.05966	0.8
279.06543	1.9
279.09875	0.4
279.15894	0.5
280.03964	0.4
280.07303	1.0
281.04764	0.7
281.08087	1.8
285.09030	0.4
286.06216	0.5
287.07040	1.4
287.10333	0.4
288.07767	0.8
289.04916	0.9
289.08536	1.2
290.05682	0.9
291.06522	3.5
292.07236	3.2
293.07928	2.2
294.05286	3.3
295.05908	1.1
296.06561	0.5
298.09369	0.4
300.07913	0.4
301.08725	0.4
302.05661	1.8
303.06500	10.5
304.07220	3.5
305.04538	1.0
305.08142	2.0
306.05341	1.4
306.08957	0.6
307.06085	0.8
307.09665	2.8
308.06729	0.9
309.07495	9.4
309.11115	0.6
311.09689	0.5
313.08777	0.5
314.09351	0.6
315.09995	0.5
316.07266	0.7
317.07983	2.1
318.08890	0.7
319.06049	4.4
319.09677	0.9
320.06720	9.5
321.07559	3.0
322.08304	1.3
323.09317	1.7
324.07718	0.5
325.08609	1.1
325.11374	0.5
326.09229	0.7
327.06546	0.5
327.09891	0.4
328.07306	0.5
328.10934	0.4
329.07944	0.9
333.07559	0.9
334.08383	1.2
335.09131	14.8
336.09726	1.2
337.11011	1.8
339.06592	0.7
339.10400	0.4
340.07086	0.4
341.08057	1.0
341.11746	0.6
342.08896	0.9
343.09790	1.1
344.06796	0.5
345.07352	0.6
349.10895	3.2
350.11548	5.0
352.07330	0.4
353.08078	1.4
354.08810	1.1
355.05902	0.7
355.09735	0.8
356.06726	0.6
357.07471	0.5
357.11404	0.5
359.08997	1.0
359.13138	0.4
360.10071	0.4
365.10266	0.7
367.09683	0.6
369.07446	0.7
369.11523	0.5
370.08215	1.1
371.09076	2.4
372.09921	0.7
373.06812	0.7
381.07327	2.0
382.08435	1.1
383.09048	1.0
384.06104	0.6
385.10834	0.8
387.08310	0.5
387.12561	0.5
388.09442	0.6
395.09384	0.7
397.06326	0.6
397.10767	1.1
398.07574	0.6
399.08398	2.2
400.09280	0.6
401.06464	0.7
403.11597	1.0
407.09027	0.4
409.06796	0.6
410.07895	1.1
411.08600	1.3
412.09799	0.7
413.10468	1.7
414.10910	1.0
415.12067	0.6
416.08789	0.9
424.09610	0.6
425.10400	1.7
426.06918	0.7
427.07800	2.9
428.08893	1.0
429.13373	2.2
430.14044	0.7
431.11270	3.2
439.12189	0.8
441.09543	2.3
442.10468	2.6
443.11389	1.4
444.08359	3.2
446.13882	0.7
447.14719	0.8
455.11548	0.4
456.12006	1.4
457.12848	12.7
458.14166	2.3
459.10660	6.4
461.16080	4.6
471.14755	0.7
473.12234	2.0
474.13068	7.7
489.15427	100.0
490.15561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01857	2.5
56.05025	2.2
57.03226	0.6
57.03437	7.6
58.06593	5.1
59.04971	0.9
60.04525	14.2
61.02927	3.7
69.03426	7.6
70.06592	6.5
70.29647	3.5
71.01332	1.0
73.02913	23.3
76.52202	0.6
79.05482	1.9
80.03041	0.7
81.03381	1.9
81.07030	0.7
83.78435	0.6
84.04517	2.6
85.02899	17.7
87.04453	2.0
90.30210	0.7
91.03942	0.8
91.05492	1.4
93.07049	0.8
95.04977	1.6
95.08640	0.8
97.02882	10.7
99.04430	1.1
100.18661	0.7
101.89249	0.7
105.07005	0.8
107.04948	100.0
108.05254	0.8
109.02868	2.0
109.10165	1.0
113.52086	0.6
115.03906	7.1
121.06487	2.0
123.04424	4.5
126.05482	1.0
127.03898	4.7
128.71341	0.8
131.08578	1.8
133.04971	7.0
133.06480	3.3
134.05998	1.7
134.09659	1.3
135.06815	2.1
135.08055	5.5
137.06061	1.0
145.04927	5.5
145.87993	0.8
147.06813	1.4
149.05981	0.8
150.09164	1.4
151.07521	6.8
152.07042	1.2
156.70303	0.7
159.08054	2.6
163.06093	1.3
163.07616	0.7
176.10698	18.5
177.09135	1.0
192.10104	0.9
194.11771	39.8
241.07211	0.7
270.19064	0.8
272.09274	0.9
308.14648	0.9
326.16333	1.1
338.16016	4.8
356.17017	74.0
357.17334	2.2
488.21442	52.5
489.21896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.5
55.01859	12.1
55.05497	9.3
57.03427	4.6
61.02925	10.5
67.05501	9.8
69.03429	38.7
69.07059	8.0
70.08550	13.0
71.04985	9.1
73.02913	16.0
79.05495	5.5
79.48252	3.0
81.03419	30.1
81.07058	18.0
82.07391	5.0
83.04980	5.3
83.08604	7.7
85.02898	88.4
87.00820	37.1
91.03971	3.2
91.05477	7.2
93.07040	8.7
95.04962	3.8
95.08610	15.8
96.08981	3.8
97.02891	66.7
97.06532	4.1
99.04448	15.3
105.01865	61.9
105.07034	8.6
107.04967	3.9
107.08607	7.2
109.02863	31.8
109.06501	2.8
109.10159	11.2
111.08073	3.6
115.03896	5.0
117.01845	5.4
119.08589	10.7
121.02863	12.6
121.06470	3.5
121.10138	6.9
122.06077	3.5
123.11722	3.0
127.03912	100.0
129.01819	3.9
131.08562	5.0
135.08084	4.5
135.11691	4.6
137.05939	7.1
139.03951	8.0
145.04961	51.4
145.10138	3.6
147.02968	3.0
147.11635	4.7
149.02321	13.7
149.13260	5.2
159.02896	20.0
159.11751	3.7
165.09122	4.5
173.83871	3.1
175.07581	3.5
198.59265	3.7
205.07050	8.0
205.12344	2.9
205.15816	3.7
223.09598	3.4
230.47423	3.7
231.04942	25.5
239.16533	3.8
240.14262	4.9
249.05980	7.8
272.09161	5.1
328.46024	3.5
329.61792	4.2
339.50156	3.0
341.12787	4.0
411.19943	3.1
430.65021	3.1
488.21692	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	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.03426	1.3
55.05497	2.5
57.07068	1.7
67.05496	4.5
69.03419	2.5
69.07053	6.5
71.05002	1.9
71.61810	2.1
74.12945	1.2
74.78008	1.4
79.05489	2.4
81.07055	9.0
83.08614	1.3
88.91938	1.3
91.05504	2.8
91.64635	1.2
93.07034	8.0
95.08593	15.6
105.07001	6.6
107.08580	10.8
109.06546	2.2
109.10140	6.6
111.08083	1.7
111.11721	1.8
119.08576	9.1
121.10149	10.4
123.08055	1.7
123.11709	6.4
131.08557	3.1
133.10158	5.5
134.95773	1.4
135.08084	4.1
135.11667	8.4
137.13269	2.9
143.08533	3.5
144.00575	1.4
145.10124	5.9
147.08063	1.2
147.11693	3.1
149.09610	3.0
149.13257	1.9
155.08556	1.6
157.10153	3.6
159.11703	4.3
161.09641	3.8
161.13251	1.5
163.11151	1.5
164.87798	1.3
169.10025	1.7
171.11722	3.7
173.13223	3.2
175.11256	2.2
175.14777	1.9
179.03371	1.6
183.11725	3.1
185.09541	3.2
187.11263	2.1
187.14813	2.4
189.12711	2.0
189.16400	2.1
191.17908	1.6
195.11719	1.5
199.11166	2.1
201.12798	4.7
211.14978	2.0
217.12210	2.0
227.14577	1.4
249.14828	2.2
253.16092	1.6
255.48502	1.5
311.23746	2.8
321.26035	1.4
338.25964	2.0
339.26785	4.4
340.27618	2.5
374.32968	1.2
409.31116	3.1
423.32816	2.8
433.31116	2.6
441.34042	2.5
451.32181	7.5
459.34967	1.6
469.33185	57.9
470.33517	2.1
487.34238	100.0
488.34506	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
55.05506	1.5
57.07047	1.3
58.77422	0.7
67.05496	2.4
69.03427	1.4
69.07057	4.7
73.46519	0.8
75.33215	0.9
79.05486	1.1
81.07048	5.4
83.08603	1.7
91.05436	1.5
91.21102	0.8
93.07038	2.7
95.08603	12.1
97.06546	0.9
105.07028	3.5
105.37901	0.8
107.08580	9.4
109.10147	3.7
110.15339	0.8
111.08080	1.3
111.11708	1.1
119.08566	3.9
121.10121	4.3
123.08112	1.2
123.11701	3.0
133.10124	3.6
135.08040	2.4
135.11685	5.5
137.09592	1.1
137.13266	6.0
139.07564	0.8
143.08527	1.2
145.10146	3.1
147.11732	2.6
149.09579	1.7
149.13246	2.3
157.10094	1.6
159.11687	2.9
161.09590	2.7
161.13280	1.5
163.11143	0.9
163.14777	1.1
171.11699	2.7
173.13225	3.2
175.11143	3.5
177.12801	1.6
183.11641	1.4
185.13231	1.8
187.11226	4.0
189.09087	1.2
189.12802	1.4
189.16463	1.1
197.13232	1.4
199.14864	0.9
201.12766	2.5
203.10719	1.3
203.14305	1.8
215.14328	3.3
217.15710	0.9
225.16501	1.5
227.10754	1.1
229.15900	1.0
229.62971	1.1
241.15898	1.1
243.17377	3.1
247.16838	1.4
271.16763	1.1
285.18475	6.4
285.21826	1.4
296.54205	0.8
297.22385	1.0
299.20013	1.8
325.25134	1.0
325.28717	1.0
327.23276	1.0
331.18768	1.3
333.20642	1.1
339.26859	1.5
340.27509	2.3
345.20612	1.2
353.28268	2.2
380.27124	1.6
381.31750	5.0
385.23419	1.2
409.30673	1.6
423.32516	16.1
427.32193	1.8
441.33658	4.0
451.31674	2.0
469.33130	100.0
470.33395	2.9
487.35919	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	487.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.05510	20.9
57.03422	6.8
57.07059	7.2
61.02911	4.0
65.03921	2.5
67.05500	42.3
69.03426	11.3
69.07060	35.1
70.06937	4.7
70.07345	3.5
71.04971	4.3
71.08619	3.9
73.02919	12.3
73.05404	1.4
79.05482	28.7
79.05909	2.8
81.03404	6.8
81.07051	94.5
83.04969	4.2
83.08601	14.4
85.02900	19.8
85.06535	9.9
85.10166	1.6
87.04493	2.1
91.05470	25.6
93.07036	55.1
95.04969	8.7
95.08597	100.0
97.02888	10.9
97.06545	3.6
97.10165	9.9
98.20846	1.5
99.04417	2.7
99.08073	6.2
103.05468	2.1
105.07019	36.5
107.04984	2.5
107.08585	45.1
109.02851	1.8
109.06494	5.5
109.10146	66.2
111.08079	4.7
111.11700	6.0
113.09622	2.1
114.59162	1.3
115.03909	5.3
116.62817	1.6
117.06989	5.4
119.04962	2.1
119.08564	29.9
121.02860	1.5
121.06473	2.7
121.10133	44.5
123.05548	7.5
123.08070	3.5
123.11687	25.3
125.09624	4.1
125.13203	2.0
127.03899	5.9
131.08560	14.1
133.02811	4.4
133.04961	1.6
133.06497	2.1
133.10109	30.8
135.11678	29.9
137.05960	4.4
137.09607	9.7
137.13232	6.5
139.11156	6.3
145.04898	2.2
145.10120	18.7
147.11681	23.9
149.13251	27.2
151.07506	1.6
151.11185	4.1
151.14796	4.6
153.12675	2.5
155.10704	3.3
159.11664	14.9
161.13245	17.2
163.14828	17.1
165.09085	6.0
165.12711	6.5
173.13214	9.9
175.14824	11.4
177.12747	1.8
177.16345	9.7
179.14290	3.3
185.13243	2.3
187.14824	8.1
189.16370	11.5
191.14360	2.3
193.15912	1.8
195.17406	1.6
201.16360	4.1
203.17938	6.2
207.17413	3.2
215.17963	9.7
229.19417	2.4
233.19043	2.6
239.16362	2.9
243.21222	1.6
245.22606	2.2
259.24106	3.9
261.25891	2.2
271.24152	26.2
277.25220	5.9
289.25235	22.3
307.26172	12.3
325.10828	2.1
325.16266	2.9
325.19803	2.4
325.27335	2.0
335.09171	1.6
383.06232	2.3
487.21124	6.0
487.25177	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	487.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
54.81082	2.4
55.01860	5.4
55.05506	17.5
55.78646	2.5
57.07072	4.5
57.07907	2.6
59.75156	2.6
67.05502	20.9
69.03429	16.4
69.07065	19.3
69.98724	15.5
71.04980	20.0
73.02893	2.4
75.00818	2.7
79.05500	17.7
81.03400	11.9
81.07053	67.7
83.04978	10.6
83.08595	14.1
85.02908	26.1
85.06550	3.6
87.00838	6.6
89.58751	3.0
91.05458	17.6
93.07034	43.3
95.04960	10.1
95.08604	42.8
97.02887	12.3
97.06539	7.8
97.10166	5.4
99.04481	2.9
99.08100	8.0
101.67168	2.7
105.01852	7.8
105.07023	35.1
107.08591	61.4
109.02876	5.4
109.06525	2.8
109.10146	34.4
111.08067	5.1
111.11681	3.9
111.78368	2.6
115.03941	5.5
117.06975	5.9
119.08568	44.5
121.06419	3.4
121.10153	23.2
123.08106	4.3
123.11700	27.6
125.09621	10.0
127.03905	14.9
127.11184	12.9
131.08569	6.5
133.02879	4.5
133.10117	30.4
135.11691	76.0
137.05954	6.4
137.09631	5.8
137.13264	7.6
139.11185	4.1
143.10641	20.3
145.10149	8.4
147.11642	21.7
149.13293	15.4
151.11250	4.7
153.12738	10.0
157.10150	6.8
159.02863	3.1
159.11697	11.5
161.13266	11.3
163.07460	2.9
163.11241	5.2
163.14801	3.7
165.09151	7.1
165.12721	5.2
171.11655	3.0
173.13347	4.3
175.14848	3.5
177.16414	4.3
183.11726	3.5
187.14851	4.1
189.16400	4.1
196.38095	2.9
203.17950	37.4
205.19537	8.1
209.19119	3.4
221.19020	33.0
223.20653	5.8
233.19122	3.0
287.24374	3.6
289.25287	5.6
307.26364	13.8
325.10571	3.8
443.22690	5.8
451.23450	4.3
487.15012	5.3
487.21506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01873	4.0
55.05499	14.4
56.05832	2.6
56.89892	2.1
57.03442	5.2
57.07073	4.1
59.04995	3.0
61.02924	3.4
66.31684	2.1
67.05504	15.2
69.03423	20.2
69.07063	30.2
69.63956	6.3
69.64381	10.6
71.05001	11.1
71.08656	2.2
73.02911	2.4
79.05484	16.5
81.03419	11.2
81.07052	53.1
81.07518	3.4
83.04977	10.6
83.08627	11.3
85.02904	30.3
85.06559	3.7
85.71983	2.1
87.00836	7.1
91.05466	17.0
93.07032	28.6
94.07389	2.3
94.75657	2.4
95.05005	5.7
95.08604	35.0
97.02901	16.8
97.06516	5.4
97.10185	5.6
98.97535	2.4
99.04481	5.7
99.08102	8.7
105.01894	8.0
105.03413	2.1
105.07016	29.3
107.04955	2.8
107.08591	30.7
109.02918	7.3
109.06496	5.7
109.10150	36.0
111.04465	3.9
111.08119	5.7
111.11749	2.9
113.06035	3.4
115.03950	4.2
117.07063	2.4
117.09157	2.8
119.08570	28.2
121.06537	4.1
121.10130	21.4
123.08151	6.0
123.11716	19.4
125.09666	6.9
125.13322	3.5
127.03925	11.8
127.11240	7.8
131.08606	6.6
133.02896	6.0
133.10117	22.7
134.10480	3.0
135.04558	2.1
135.08136	3.3
135.11690	29.4
137.05951	11.4
137.09663	6.6
137.13297	5.8
139.11191	3.0
143.08585	4.2
143.10739	2.6
145.04942	3.7
145.10173	8.5
147.04456	3.0
147.11697	21.3
148.12170	2.2
149.05977	4.1
149.09679	2.4
149.13225	10.2
151.11238	3.8
153.12785	6.2
157.10165	2.9
159.11725	12.1
161.06091	2.8
161.13364	9.0
163.11278	3.8
163.14867	5.2
165.05661	2.2
165.09190	6.0
165.12816	2.6
171.11777	6.0
173.13326	4.8
175.11307	3.1
175.14873	3.8
177.05467	4.1
177.16415	2.5
187.07625	2.5
187.14804	3.0
191.17961	2.5
199.14859	2.7
201.16428	2.6
203.17914	18.8
205.19569	3.1
215.18060	3.0
219.17546	3.4
221.19116	11.6
239.16490	4.9
239.20102	3.5
241.05338	3.4
243.29782	2.2
245.10516	2.7
251.11391	2.3
253.10881	2.7
269.12509	3.4
283.09979	3.1
289.25192	5.3
307.09946	3.2
307.26425	9.3
308.25488	3.2
325.10590	10.6
325.27481	2.6
443.22653	3.6
487.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.96558	0.7
67.05487	0.8
69.03424	1.1
69.07056	1.6
69.99464	1.3
69.99882	1.4
81.03400	0.9
81.07046	1.8
83.04984	0.5
85.02898	0.7
85.06541	0.6
91.05439	0.8
93.07035	1.5
95.08601	1.7
97.02881	0.8
97.06538	0.5
105.07008	1.4
107.08571	1.9
109.10147	1.4
111.11701	0.5
119.08557	2.1
121.10120	1.2
123.11707	0.8
131.08575	0.7
133.10143	1.3
137.09531	0.6
145.10187	0.6
147.11688	0.9
147.54530	0.5
148.46031	0.4
155.08586	0.5
159.11702	0.8
165.09076	0.7
173.13190	0.9
187.14816	0.6
189.06085	1.8
203.17891	0.6
227.05161	0.5
239.16153	0.8
243.08975	0.5
245.06377	0.7
267.73389	0.5
271.04285	1.0
289.05292	0.6
307.35104	0.4
313.16229	2.9
314.10968	0.5
335.09946	0.5
355.17270	4.2
399.16107	2.7
401.21286	3.9
419.21359	0.9
443.22379	13.8
465.88947	0.5
469.32843	1.8
487.21402	100.0
488.21811	2.8
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	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.03941	0.7
55.01875	0.7
55.05506	2.1
57.03424	0.6
57.84080	0.4
67.05503	1.8
67.08805	0.5
69.03418	1.7
69.07068	2.4
69.54285	3.4
71.04984	1.9
73.02930	0.6
75.35927	0.4
79.05492	1.7
81.03415	1.0
81.07056	7.4
83.04984	1.1
83.08591	0.8
85.02908	3.5
85.06521	0.4
86.09671	0.4
87.00851	1.0
91.05495	2.3
93.07035	4.7
95.04957	1.2
95.08601	4.9
97.02889	1.1
97.06497	0.6
97.10166	1.1
99.08088	1.0
105.01861	1.0
105.07023	3.4
107.08598	5.8
109.02876	0.7
109.06522	0.7
109.10156	3.8
111.08092	1.1
111.11719	0.6
113.09644	0.4
115.03927	0.8
117.06994	0.4
119.08566	3.5
121.06537	0.4
121.10159	2.8
123.11712	3.4
125.09647	1.5
127.03915	1.4
127.11188	0.8
131.08557	0.6
133.02802	0.5
133.10127	3.6
135.11690	7.5
137.05971	0.8
137.09586	0.6
137.13254	1.1
139.11194	0.7
143.10704	0.9
145.05013	0.7
145.10095	0.9
147.11665	2.4
149.13194	1.9
151.11179	0.5
153.12724	1.5
159.11761	1.0
161.13280	1.4
163.14899	0.4
165.01466	0.4
165.09070	0.5
171.11810	0.7
173.09573	0.7
185.04285	0.5
201.04001	0.4
203.17928	3.0
205.19481	0.9
208.66042	0.5
209.18974	0.7
221.19022	2.7
231.04953	0.5
239.19936	0.4
251.11346	1.5
269.12341	3.3
287.13416	1.5
307.26257	2.4
325.11438	0.4
325.15781	2.9
443.22659	4.4
451.23666	0.4
487.21429	100.0
488.21683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.01831	0.4
55.05472	1.4
57.03410	0.7
57.07050	0.5
64.42009	0.4
67.05492	2.4
69.03428	2.1
69.07076	2.6
71.04984	0.4
71.63348	0.7
75.78244	0.4
79.05452	1.7
81.03372	1.2
81.07057	6.2
83.04965	0.9
83.08600	0.9
85.02892	3.0
85.06535	2.0
86.09676	0.4
91.05443	1.7
93.07040	3.0
95.04964	0.7
95.08601	5.1
97.02882	1.3
97.06518	0.8
99.04417	0.6
99.08073	0.7
105.07007	2.8
107.08562	3.1
109.02866	0.8
109.06480	0.8
109.10153	3.9
111.08044	1.6
111.11679	0.5
119.04862	0.5
119.08572	2.3
121.06462	1.0
121.10143	2.2
123.05523	1.1
123.08028	1.2
123.11696	2.0
125.09630	0.9
127.03889	0.9
131.08507	0.9
133.02808	1.1
133.10153	1.9
135.08054	0.7
135.11676	2.0
137.05943	1.9
137.09560	1.3
137.13181	0.5
139.11127	1.0
143.08551	0.5
145.04948	0.6
145.10109	1.3
147.04364	0.8
147.11661	1.8
149.05954	1.0
149.09523	0.5
149.13223	1.3
153.12758	0.5
157.10078	0.5
159.11641	0.9
161.13254	1.1
163.11200	0.9
163.14784	0.8
165.09116	2.0
165.12730	0.9
167.06953	0.6
168.46758	0.4
175.14841	0.6
177.05498	0.6
177.12744	0.4
177.16368	0.7
179.06897	0.4
181.12178	0.6
185.04221	0.7
189.16382	0.6
201.05423	0.6
203.17897	0.6
209.19009	1.1
219.17569	0.6
255.09891	0.6
271.24127	0.9
281.17184	0.9
283.06390	0.6
283.09653	0.5
289.25302	1.4
307.09427	0.5
307.26361	3.0
325.16202	65.3
326.16556	1.6
354.98334	0.4
355.17310	2.5
415.32101	0.6
433.33334	0.8
469.14618	0.5
487.21497	100.0
488.21689	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.8
57.03401	0.9
57.07048	1.7
61.02900	0.6
67.05499	4.6
69.03382	2.8
69.07078	5.6
70.06574	1.5
70.74652	2.2
71.04953	1.4
73.02926	1.0
75.60737	0.6
79.05489	3.3
81.03377	2.3
81.07053	12.9
83.04949	1.9
83.08591	1.1
85.02892	5.7
85.06503	2.6
91.05476	3.7
93.07034	7.8
95.04931	2.6
95.08601	9.5
97.02867	2.0
97.06495	1.6
98.55134	0.8
98.97557	0.8
99.04451	1.2
105.07024	4.7
107.08575	6.6
109.02856	1.4
109.06496	2.7
109.09473	0.7
109.10156	8.0
109.23351	0.7
111.08045	1.9
117.06976	1.2
117.78224	0.6
119.04850	1.1
119.08590	4.5
121.06477	1.7
121.10144	4.7
123.08067	1.7
123.11700	4.9
125.09592	1.3
127.03851	2.3
129.01884	0.8
131.08522	1.6
133.02850	3.5
133.06477	0.7
133.10114	4.5
135.08012	1.4
135.11691	4.6
137.06000	5.8
137.09561	2.4
137.13231	0.9
139.11143	1.1
145.10086	2.2
147.04379	2.5
147.08055	0.6
147.11632	3.2
147.70573	0.7
149.05916	1.0
149.09618	1.3
149.13222	2.3
151.07507	1.7
157.10106	1.0
159.11673	2.4
161.05925	0.8
161.09560	0.8
161.13211	1.9
163.07486	0.7
163.11113	1.1
163.14774	1.1
165.09093	3.4
165.12738	2.0
167.06985	0.7
171.04451	0.7
171.11697	0.7
173.13248	1.2
175.03902	1.2
175.14839	1.0
177.05467	1.4
177.16351	1.3
179.06947	0.9
183.11633	0.7
185.04156	1.3
189.05438	1.0
203.17888	1.4
205.12354	0.7
215.17987	0.9
221.15451	0.8
221.18869	1.1
239.16374	1.7
247.16600	0.7
268.06946	0.7
273.18295	0.8
281.17065	1.4
289.25195	1.4
307.09744	1.0
307.26215	3.3
325.10236	2.6
325.16214	100.0
326.16525	1.8
425.22989	0.9
440.23315	0.6
487.21521	81.8
488.21710	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
52.16404	0.2
62.76172	0.2
69.03442	0.2
70.06596	0.3
71.04988	0.3
71.06350	0.5
81.07083	0.2
85.02906	0.7
86.09695	0.3
90.37772	0.2
93.07049	0.3
94.06583	0.2
99.51503	0.3
105.07016	0.3
106.52660	0.2
107.08555	0.3
109.10194	0.2
116.98619	0.2
129.05510	0.2
137.05972	0.6
138.06406	0.2
150.70563	0.2
156.57481	0.2
193.12038	0.3
203.05310	1.0
204.02695	0.2
215.05351	0.2
232.57162	0.2
251.02928	0.2
275.07355	1.4
296.80942	0.2
317.08304	0.2
325.19931	0.2
335.09467	12.2
336.09698	0.3
355.17288	6.0
355.21768	0.3
367.12073	0.2
455.19724	0.2
487.21494	100.0
488.21875	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	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.03426	0.5
57.07055	0.5
59.25592	0.3
64.83440	0.3
67.05506	1.0
69.03425	0.5
69.07069	1.4
69.88795	2.1
71.04982	0.4
73.02919	0.6
74.45930	0.3
79.05489	0.9
81.03419	0.6
81.07059	2.4
81.96025	0.3
83.04992	0.5
85.02901	1.2
87.27161	0.3
87.66456	0.3
88.52554	0.3
91.05477	0.6
93.07035	1.8
94.66491	0.3
95.04970	0.3
95.08602	2.9
97.02883	0.7
97.06551	0.4
98.21486	0.5
105.07013	1.8
107.08596	1.4
109.02863	0.3
109.06499	0.4
109.10141	1.5
111.08009	0.5
119.08611	1.3
121.10153	1.2
123.08036	0.6
123.11720	0.9
125.09619	0.5
127.03905	0.6
131.08517	0.4
133.02823	0.6
133.10112	0.7
135.11670	0.9
137.05971	0.7
137.09552	0.5
139.11255	0.3
145.10112	0.6
147.11684	1.2
149.13251	0.7
159.11749	0.6
163.14708	0.3
165.09131	0.8
173.13255	0.4
174.05182	0.3
177.05583	0.3
177.16341	0.4
185.04262	0.4
189.16376	0.4
201.16447	0.3
219.17505	0.3
229.06763	1.5
239.20076	0.7
283.09616	0.7
289.25595	0.4
317.08414	27.2
318.08926	0.7
325.10788	0.5
487.21494	100.0
488.21652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01845	2.0
56.75253	0.5
57.03429	3.0
61.02907	1.4
69.03079	0.8
69.03427	13.1
69.07067	0.8
69.95300	1.2
69.95712	1.7
70.06581	0.5
71.01353	0.6
71.04987	5.2
73.02924	2.4
81.03413	17.0
83.04972	0.6
85.02900	4.6
85.07639	1.2
91.05476	1.2
93.06950	0.6
97.02882	1.5
98.21349	0.8
98.97598	0.6
99.04449	6.2
101.41607	0.5
103.07537	0.8
115.03909	0.7
117.05476	1.7
118.06517	1.7
127.03915	1.1
137.05994	0.6
138.98105	0.5
141.92361	0.6
145.05017	0.7
145.06468	0.6
145.07574	4.0
147.09160	5.9
153.06612	0.6
155.03484	0.7
162.07927	1.0
163.08636	1.0
173.07080	8.5
174.07759	0.5
175.08662	7.2
176.09206	0.7
179.03387	18.7
191.08139	100.0
192.08473	1.1
193.04964	1.7
205.09723	0.7
231.11290	0.6
233.09200	1.4
252.41002	0.5
271.10843	0.8
289.11713	2.0
292.38791	0.5
307.09290	1.2
307.12866	25.8
325.13916	73.0
326.14255	1.5
375.98642	0.6
406.62466	0.6
487.22110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71392	0.5
53.03928	1.5
53.25637	0.6
55.01858	2.2
57.03419	2.7
61.02929	0.8
69.03075	1.1
69.03425	13.3
69.07072	0.9
71.01340	1.1
71.04987	4.4
71.61131	0.7
73.02901	2.4
81.03410	15.0
81.07028	0.7
83.04992	0.8
85.02887	3.3
85.07645	0.7
87.77361	0.6
90.57938	0.7
91.05486	1.4
97.02886	1.4
99.04440	7.1
109.02832	0.8
115.03920	0.6
117.05470	1.7
118.06524	2.4
121.06532	0.6
129.77968	0.7
133.04932	0.6
136.07515	0.7
145.07581	4.4
147.09157	7.2
155.08205	0.7
157.01613	0.6
159.61739	0.5
162.07855	0.9
163.08673	0.9
173.07092	9.3
175.08688	5.9
179.03398	8.3
191.08142	100.0
192.08382	1.0
193.04854	2.8
205.09695	0.8
233.09184	1.2
271.10706	0.9
289.11798	1.9
307.12863	27.6
308.11115	0.7
325.13910	85.8
326.14105	1.1
446.82922	0.6
448.25751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1442
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
55.05495	0.2
55.68771	0.2
56.96513	0.2
57.03432	0.9
59.06120	0.1
61.02904	0.4
67.01852	0.3
67.05460	0.2
68.99778	0.3
69.03428	0.8
69.78898	0.3
69.79303	0.7
71.04981	0.3
73.02904	1.5
81.07047	0.2
83.04963	0.6
83.10890	0.2
83.95100	0.2
85.02889	1.2
85.07670	1.8
86.09702	0.2
90.96857	0.2
91.01834	0.2
91.05475	1.4
93.07044	0.2
95.04955	0.2
95.08575	0.2
97.02868	0.7
98.97573	0.2
107.08536	0.2
109.02852	0.2
109.06480	0.3
109.10104	0.5
115.03930	0.8
119.08587	0.3
121.10143	0.2
125.05960	0.2
127.03905	0.5
133.10095	0.2
135.11662	0.2
136.07568	0.2
137.05972	0.3
137.09610	1.0
147.04408	0.3
151.03938	0.3
153.01712	0.3
169.04924	0.3
193.04950	100.0
193.15857	0.5
194.05272	1.5
220.89285	0.2
307.20093	0.2
308.14987	0.2
355.10214	10.1
376.48206	0.2
409.10760	0.2
462.13565	0.2
469.25681	0.2
487.15674	1.1
487.26840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05506	31.1
57.03183	1.4
57.03433	16.7
59.04996	9.7
61.02909	2.4
62.99021	0.9
64.63256	0.9
69.03426	2.3
69.07053	3.0
71.04942	1.0
71.28828	1.5
73.02914	3.6
75.04483	0.9
81.03389	1.3
83.04977	70.3
84.05334	0.8
85.02895	9.1
87.04491	1.0
95.01329	1.3
97.02882	3.2
98.07211	0.9
98.97581	1.3
99.00838	0.8
99.04446	1.5
101.02353	0.9
101.06007	3.8
103.03940	1.1
113.02361	1.9
116.98582	1.1
117.05486	34.8
121.47662	0.7
124.07609	0.9
131.03412	1.4
141.01801	3.1
145.05009	1.2
157.08595	100.0
158.08986	1.1
159.02914	1.9
159.06512	15.1
159.07713	1.6
159.90218	0.9
167.07007	1.0
175.09651	30.5
179.03386	3.5
189.05478	1.0
191.08174	2.9
194.04323	0.8
199.09644	8.3
217.10698	6.3
227.80312	0.8
239.12743	8.3
241.07014	1.3
257.13779	7.7
259.08093	13.1
260.50485	0.9
263.65179	0.8
275.14777	6.1
288.09329	1.2
293.08609	11.5
325.13843	1.3
333.11807	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	486.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01863	0.4
55.05503	0.6
56.99370	0.2
57.03437	0.2
65.03941	0.5
66.04695	0.3
67.05499	0.4
69.03429	0.8
69.07065	0.5
71.04996	0.3
71.59400	0.2
71.63466	0.4
79.05491	14.6
81.03410	0.4
81.07054	100.0
82.07383	0.8
83.08648	0.3
85.02901	1.6
85.06523	0.3
87.00825	0.5
89.06026	0.3
91.05476	0.3
93.07053	0.7
95.04969	0.8
95.08604	0.7
97.02888	0.9
99.04453	0.3
100.11296	0.2
100.27773	0.2
105.01888	0.5
105.07069	0.5
107.04919	0.2
107.08591	0.2
109.02874	0.5
109.06532	0.2
109.10136	0.4
111.04472	0.2
111.08128	0.2
116.98633	0.2
119.08570	0.4
121.10168	0.6
123.11673	0.2
126.03800	0.2
127.03931	0.8
135.11699	0.2
137.06017	0.3
138.06290	0.2
140.05255	0.2
145.04941	0.3
145.10179	0.2
148.12009	0.3
151.09570	0.2
161.01210	0.3
161.06039	0.3
203.10657	3.9
219.01869	0.3
220.11620	0.6
220.17671	0.4
238.18961	0.3
268.06967	0.5
289.23825	0.4
317.08493	0.5
318.08856	0.6
324.13229	0.4
324.18613	0.3
329.11328	0.3
486.20197	3.2
486.27090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.6
57.03434	9.5
59.00188	0.3
61.02926	3.1
67.05482	0.7
69.03071	0.4
69.03422	4.7
70.84721	0.9
71.01334	0.8
73.02915	20.4
79.05482	0.3
81.03403	0.4
82.81429	0.3
85.02416	0.5
85.02900	6.0
87.04459	0.8
91.03941	0.4
91.05489	1.4
94.06572	3.0
95.04927	0.6
97.02889	3.5
98.97542	0.3
99.04415	0.4
105.03343	0.5
109.02836	0.5
109.10180	0.2
113.73351	0.3
115.03922	2.6
117.05708	0.3
118.06521	3.7
119.04937	0.5
122.06029	3.3
127.03893	1.2
133.04936	0.6
134.06027	0.3
143.00119	0.3
145.05109	0.4
146.05998	11.0
147.06712	0.3
150.05476	0.9
157.08559	0.4
162.05516	1.0
164.07050	2.2
174.05498	93.3
175.05986	1.7
176.07062	0.9
192.06544	43.8
193.05006	0.7
193.06854	0.6
234.07657	0.4
246.38161	0.3
323.11279	0.8
336.10632	1.2
354.11819	100.0
355.12149	2.3
486.16040	15.9
487.16656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.17644	1.2
55.05512	4.5
56.32056	1.3
57.03442	7.5
57.07074	27.3
67.05494	6.7
69.07063	5.4
69.70102	2.1
69.70512	6.9
71.08631	20.2
77.03991	1.3
79.05507	2.7
81.07057	13.4
81.26344	1.3
83.08614	4.8
85.10180	9.9
87.28114	1.1
89.06033	6.3
91.05490	2.2
93.07030	4.2
95.08607	19.7
97.10144	3.8
98.98487	6.1
105.07026	4.1
107.08598	5.6
109.02811	1.4
109.06524	1.5
109.10155	8.0
119.08572	6.3
121.06503	3.7
121.10145	4.0
123.08105	1.4
123.11695	3.7
125.09629	1.3
131.08551	2.3
133.08580	3.8
133.10130	4.5
135.08087	2.2
135.11688	3.9
137.13193	2.4
145.10100	2.2
147.08028	1.4
147.11632	1.6
149.13269	2.2
155.01010	1.9
157.10120	2.8
159.11746	2.0
161.09619	1.8
163.11147	1.6
165.09099	1.9
167.96831	1.4
171.11688	2.2
173.13263	1.6
175.11179	1.6
175.14864	1.5
177.11307	2.0
180.51941	1.3
238.01372	1.8
239.23721	1.7
291.23132	2.3
313.27356	100.0
314.27524	2.4
359.20703	1.4
407.29199	1.6
421.31049	2.4
439.32364	2.0
449.30746	2.9
467.31424	20.9
485.27051	1.6
485.33545	20.0
485.47446	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87589	2.3
53.03950	6.1
53.44733	2.2
55.01863	9.0
55.05509	14.4
57.03435	6.1
57.07075	5.3
57.62086	2.5
58.71140	2.1
59.05005	5.2
61.67700	2.1
67.05495	25.1
68.99799	2.6
69.03436	28.3
69.04150	2.5
69.07068	16.4
69.28780	19.5
69.29206	8.8
71.04993	27.5
71.08651	2.7
72.72686	2.5
73.02920	6.0
76.06907	2.6
79.05482	26.2
81.03434	14.5
81.07056	100.0
83.04979	9.7
83.08620	8.4
85.02899	46.1
85.06544	5.4
87.00831	15.8
87.01288	2.5
87.04518	2.1
91.05476	32.8
93.07045	50.3
95.04946	15.2
95.08608	42.3
96.95728	2.1
97.02897	18.7
97.06499	12.9
97.10171	4.0
98.21478	6.0
99.04444	6.9
99.08098	15.7
103.03961	3.3
103.05492	3.6
105.01839	11.3
105.07034	97.7
106.61989	3.2
107.08601	50.2
109.02896	8.5
109.06523	6.0
109.10152	54.0
111.08059	4.2
113.09673	2.9
115.03928	7.1
117.07034	8.3
119.08582	58.0
119.09441	3.1
121.06530	7.5
121.10136	41.3
123.04450	3.7
123.08086	4.6
123.11726	26.7
125.09635	45.0
127.03899	19.4
127.07533	15.8
127.11199	9.3
129.01820	2.9
129.06999	3.5
131.08560	20.1
133.10126	97.5
135.08035	5.7
135.11696	14.7
137.05968	8.6
137.09645	12.0
137.13225	2.9
139.11192	5.1
141.09062	2.7
143.08589	7.5
143.10678	25.5
145.05003	5.8
145.10124	31.3
147.08069	3.6
147.11687	74.1
149.09564	5.8
149.13298	5.4
151.11183	8.3
155.08606	2.8
157.10167	8.9
159.02919	5.3
159.11696	30.1
161.02977	3.6
161.09663	4.2
161.13274	18.5
163.11176	6.1
165.12849	2.9
167.10660	5.1
169.10085	3.8
171.11708	6.9
173.09612	4.5
173.13297	7.9
175.11244	5.3
175.14864	3.7
176.87527	2.8
177.12730	3.4
177.16357	3.1
185.09624	2.9
189.12782	3.5
201.03908	3.4
201.16400	23.0
203.17957	18.9
209.11722	5.0
211.11147	3.1
217.15681	2.8
219.17455	76.4
221.19025	5.7
231.05188	3.1
233.11719	6.6
237.14806	3.6
237.18533	18.2
243.17596	2.7
264.15796	8.8
303.00021	2.6
307.60855	2.9
448.98627	3.4
485.19504	7.8
485.23395	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63311	0.4
55.01864	1.1
55.05496	1.5
57.03412	1.0
57.07062	1.0
61.01136	0.5
61.02913	1.1
65.03939	1.0
67.05505	3.0
69.03426	4.2
69.07067	3.4
70.16846	1.8
71.01354	0.8
71.04987	0.8
71.08636	5.3
72.04479	1.2
72.08952	0.8
73.02914	2.6
74.03220	0.4
76.51889	0.4
78.03799	0.7
79.05473	1.8
81.03400	1.2
81.07056	4.3
82.12310	0.4
83.04964	0.6
83.08622	0.8
85.02900	6.8
85.06548	2.7
86.03252	0.8
87.04468	0.8
88.02213	0.9
91.05479	20.3
93.07049	4.1
95.04958	1.1
95.08604	4.8
97.02907	4.1
98.08099	0.5
99.04451	0.4
99.08089	9.2
99.09065	0.5
100.08414	3.8
102.03775	1.3
103.05434	0.7
105.03415	0.4
105.07037	3.2
107.08604	3.5
109.02852	0.8
109.06532	0.4
109.10174	3.4
111.08066	0.7
111.11697	0.8
113.05958	0.5
115.03867	1.4
119.04942	31.9
119.08573	2.6
121.10133	2.3
123.08096	0.5
123.11691	1.5
125.09644	2.2
127.03906	1.6
129.03368	0.6
129.06987	0.5
129.12781	0.6
130.13062	0.6
131.06355	1.1
131.08549	1.0
132.02032	1.2
132.04762	0.7
133.02815	0.5
133.04964	0.7
133.10139	2.9
135.04408	0.5
135.11668	1.7
137.05966	1.4
137.09599	0.8
139.11159	1.2
142.08586	1.1
143.08553	0.5
145.02859	0.6
145.04951	1.7
145.10103	1.0
146.05290	0.5
146.85986	0.5
147.04408	27.5
147.11681	1.6
149.02318	0.8
149.07439	5.4
149.13255	1.3
151.07579	0.6
157.03979	2.0
157.10129	0.6
159.11668	0.7
161.13232	1.1
162.03113	0.5
164.04704	1.1
171.11703	0.6
173.13214	0.6
173.15390	7.8
174.15723	6.3
175.03905	52.6
176.04312	0.8
177.05530	0.5
177.16365	0.6
179.07031	2.9
187.14790	0.6
207.06522	100.0
208.06865	1.0
219.13806	0.4
219.17560	0.6
261.12698	9.1
268.27002	0.5
278.10254	5.7
287.23569	1.1
289.10861	0.5
305.24786	1.2
323.25848	4.6
337.12262	0.4
355.13217	11.1
441.20740	0.4
467.18430	11.8
478.87744	0.6
485.20435	0.8
485.27240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00083	0.9
55.05529	1.1
56.96558	3.3
70.13412	2.0
70.13808	2.2
73.02919	1.4
82.06575	2.7
82.99850	1.2
84.08139	1.3
98.97562	7.2
101.00893	5.4
110.97569	2.9
113.00868	2.3
116.98650	4.5
119.01916	13.3
127.02372	5.1
128.07063	11.1
128.98573	4.7
131.00177	1.8
131.01900	10.1
133.03479	3.4
139.02435	1.5
143.01883	8.7
145.03453	48.8
146.99641	3.7
149.01224	2.1
149.02994	1.7
155.01889	31.0
157.03462	23.7
158.99646	1.4
159.05038	3.1
161.02940	16.2
163.04518	8.0
165.00717	1.0
167.01993	1.8
168.04984	1.0
169.03474	4.3
170.99640	4.1
171.01552	1.2
171.05019	2.7
173.02950	69.4
173.09216	15.8
175.04509	15.7
177.00763	1.9
185.02957	16.1
187.04518	10.8
189.00703	10.3
189.02277	1.6
189.06140	1.1
189.65173	0.9
190.98613	1.3
191.02486	1.2
191.04004	31.2
196.04526	1.9
197.03026	4.7
197.12447	0.9
199.04550	3.3
203.02232	2.0
203.03999	20.8
205.05544	1.4
207.01740	1.3
208.99707	1.3
209.05101	3.5
214.05659	1.0
215.04013	12.0
217.05554	4.7
218.03738	1.0
227.04115	3.3
229.05583	1.3
231.01776	2.8
233.02748	1.9
233.05064	38.9
235.06723	1.3
237.02911	1.4
241.05516	3.8
245.02505	2.1
245.05063	41.8
247.06697	1.1
248.04738	1.5
249.02812	5.0
251.06085	4.7
257.04929	1.2
263.06223	8.3
267.03806	2.0
269.05194	3.3
275.06107	54.4
276.06418	1.3
287.06174	5.8
289.97211	1.1
291.03769	3.9
293.07410	6.0
305.07166	24.8
309.04880	1.8
311.06995	0.9
323.08173	5.6
335.08243	4.8
337.09659	1.4
347.03784	1.2
347.08185	37.1
348.08359	1.3
351.11432	3.5
353.07715	1.3
365.04062	17.4
365.09216	100.0
366.09439	2.5
371.08633	1.2
383.05469	1.5
383.10437	3.7
406.12262	2.0
407.10202	6.6
425.05832	3.3
425.11374	5.8
467.06570	1.4
467.12558	2.4
485.06790	1.4
485.13370	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.06815	1.5
57.07074	15.5
63.93542	0.8
66.71960	0.8
67.05505	2.7
69.07061	2.5
69.32178	6.8
69.32583	1.7
70.06586	12.3
71.08628	6.5
71.82811	0.9
73.02888	2.5
81.07046	2.5
81.16879	0.7
83.08607	2.1
85.10179	3.6
87.88036	1.1
88.07623	17.4
89.06021	1.4
91.37559	0.7
95.08579	3.7
97.10177	1.3
102.09185	13.3
106.08675	0.9
121.77287	0.7
125.81715	0.8
133.52863	0.8
141.11189	0.8
216.73692	0.8
228.23218	30.2
246.24358	3.3
255.23177	12.1
256.26385	9.0
283.26318	36.3
484.47232	100.0
485.47568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.07075	13.9
58.06588	1.4
60.61974	0.4
65.64552	0.4
65.78931	0.4
67.05513	2.3
68.99537	0.4
69.07069	2.3
70.06591	12.7
71.08628	7.8
71.34763	0.9
73.02911	1.5
74.96706	0.5
81.07044	2.5
83.08622	2.2
84.81470	0.4
85.10182	2.6
87.04513	0.5
88.07632	18.8
95.08627	3.2
97.10146	1.3
102.09177	12.6
106.08667	0.8
107.08545	0.5
109.10139	1.1
135.11688	0.5
156.17548	0.5
175.31177	0.5
176.17537	0.7
181.32877	0.5
200.20087	25.4
218.21172	2.1
228.23210	20.1
246.24338	1.6
255.23174	2.0
256.26379	1.8
283.26315	21.9
311.29431	24.4
484.47238	100.0
485.47528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71759	0.8
55.01844	0.8
55.05519	1.1
57.03438	7.6
58.32129	0.7
59.04997	1.0
61.02914	2.9
67.13551	0.6
69.03429	12.8
69.07061	5.5
70.41038	3.1
71.01357	1.3
71.08628	46.7
72.80222	0.8
73.02916	20.4
81.03401	1.4
81.07050	1.1
81.62692	0.7
85.02422	1.2
85.02907	14.2
87.04454	1.0
91.03975	0.8
93.06995	0.8
97.02890	17.1
99.04421	1.0
99.08090	100.0
109.02889	1.2
109.10159	0.9
115.03936	9.2
117.09077	0.7
127.03951	4.1
129.12752	15.3
133.04999	2.8
145.04965	4.4
151.07605	0.9
155.14311	3.5
163.06029	1.9
173.15375	88.9
212.82948	0.7
223.05992	0.7
259.08051	1.9
263.28592	0.7
272.61038	1.4
295.89398	0.7
314.70673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
57.07077	29.5
69.07068	2.5
71.08630	28.2
73.06556	8.0
83.08611	4.6
85.10181	26.8
87.04465	3.9
89.06031	100.0
90.06317	0.8
93.07032	0.8
95.08572	1.0
97.10176	0.9
97.91605	0.7
98.21490	2.5
99.11732	2.6
103.72259	0.9
107.07077	5.8
109.10147	0.9
117.09139	6.4
121.10159	1.2
130.08656	4.9
131.07024	1.0
133.08598	47.7
133.10181	2.1
134.10419	0.9
135.10225	1.5
141.16393	4.4
172.95207	1.7
177.09669	1.1
177.11227	21.7
185.18994	6.3
186.96875	1.9
204.97923	1.8
209.98456	0.8
221.13811	3.4
226.21771	2.4
229.21646	12.6
231.13878	0.8
233.15533	0.9
239.14908	3.6
273.24277	8.9
283.17520	2.6
311.25586	1.7
312.26184	5.4
317.17795	2.1
327.20123	11.1
379.30466	2.1
423.33188	0.9
458.68210	0.9
467.29745	1.3
467.35901	24.8
468.35767	1.1
469.40732	0.8
471.18359	1.0
484.32269	3.9
484.38354	2.5
484.47147	3.4
485.32303	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	11.6
53.39943	5.9
55.05519	14.1
57.03440	33.2
61.02923	67.7
65.03928	6.1
67.05505	82.3
69.03435	31.0
69.07072	20.8
69.31871	46.1
69.32294	19.6
71.01379	7.3
71.04978	8.7
73.02909	25.0
79.05497	55.1
81.03410	20.5
81.07059	100.0
83.08614	11.3
85.02905	62.2
85.06519	7.0
91.03946	30.8
91.05482	42.4
93.07043	61.9
95.04956	14.1
95.08608	83.9
97.02897	44.4
97.06525	8.5
97.10160	8.0
99.04449	13.2
101.02389	15.3
103.03936	6.6
105.07008	41.8
107.08592	57.4
109.02903	10.5
109.06504	11.5
109.10168	43.5
117.06995	9.0
119.08606	29.4
121.10139	38.9
123.04452	6.8
123.11709	10.1
127.03921	29.2
129.05511	8.1
129.06973	7.1
131.08557	25.6
133.10150	20.0
135.11678	27.5
145.10085	29.7
147.11710	23.3
149.13255	11.1
157.10135	7.8
159.11719	25.5
161.09698	7.1
171.11752	6.2
173.13269	10.1
187.14740	7.5
203.14326	6.9
229.19577	7.2
237.07698	8.3
247.20618	20.2
289.22015	7.2
321.24185	95.3
355.22662	11.4
429.26749	9.0
465.29599	8.8
483.30652	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.23449	0.5
55.01876	2.8
55.05508	1.4
57.03436	5.6
59.05000	1.9
61.02927	4.3
62.06083	0.6
67.05507	0.8
69.03427	12.7
69.03802	0.7
69.07061	5.6
70.51483	2.1
71.01350	1.3
71.08629	43.1
71.43452	0.6
73.02916	19.6
79.05462	0.6
81.03416	2.3
81.07049	2.4
85.02901	25.4
85.06539	1.0
87.04468	1.0
91.03954	0.8
91.05468	6.4
93.07047	0.6
95.04964	0.6
97.02890	17.7
98.97557	0.8
99.04471	1.4
99.08089	100.0
103.03928	1.2
105.07042	1.0
107.08576	0.9
108.41830	0.7
109.02882	2.7
109.10120	0.8
110.21342	0.6
115.03913	7.8
117.09163	0.6
119.04946	9.4
121.10086	0.8
126.27769	0.6
127.03926	6.4
129.12747	11.4
133.04959	8.5
137.06001	1.7
145.04945	8.6
147.04401	7.3
149.07452	1.1
155.14262	2.5
163.06000	3.6
173.15369	80.5
174.15762	0.7
175.03925	13.0
179.06993	0.9
185.17650	0.7
187.89484	0.6
199.05972	0.6
207.06523	22.2
223.06049	1.4
241.06999	1.5
259.08102	2.3
261.12579	1.4
268.98016	0.6
278.10187	0.8
355.13083	2.0
399.29358	0.8
454.87164	0.6
467.18289	2.2
474.02109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	1.1
55.05510	17.9
57.03446	5.3
57.07080	10.2
62.89697	0.7
67.05502	3.6
68.95084	0.8
69.07066	24.0
69.52498	1.9
69.52902	4.7
71.08618	5.8
79.05475	2.4
81.07061	6.5
83.08615	21.2
85.06580	0.7
85.10160	2.4
93.07033	3.1
94.07321	0.8
95.04981	1.0
95.08602	5.5
97.06532	2.6
97.10169	14.5
98.20772	1.8
98.98462	8.9
105.07028	1.5
107.08578	3.6
109.10139	2.5
111.08096	1.6
111.11716	3.6
119.08613	1.7
121.10163	4.2
123.11726	1.6
125.13258	0.8
131.08620	0.9
133.10107	1.0
135.11670	2.7
147.11647	1.0
149.13239	0.8
155.00999	5.6
161.13306	0.7
163.14793	1.0
173.02129	1.3
175.14804	0.8
189.12798	1.3
217.15964	1.9
235.16951	1.0
237.22066	0.9
302.72195	0.9
311.25793	100.0
437.30582	1.1
447.25024	2.2
465.29962	1.8
483.30927	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	483.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.4
55.05502	19.3
57.03424	29.9
61.02930	47.6
63.99023	7.0
67.05496	73.8
67.92505	7.8
69.03408	29.4
69.07049	20.7
71.01337	14.7
71.59943	8.3
73.02908	29.5
77.72009	7.3
79.05492	56.8
81.03415	21.6
81.07044	100.0
83.04933	8.8
83.08582	9.5
85.02906	62.3
91.03967	46.2
91.05464	41.7
93.07024	57.4
95.08595	98.3
97.02885	54.6
99.90764	6.7
101.02359	18.4
103.03985	8.7
105.07026	39.5
107.08568	60.0
109.10168	38.2
116.56127	7.3
117.07037	12.5
119.08602	37.8
121.10154	45.3
123.11716	22.0
127.03886	27.3
131.08560	25.1
133.10118	31.1
135.11646	20.8
145.04919	10.9
145.10097	17.3
147.11765	16.7
149.13293	8.6
157.10138	9.6
159.11655	20.4
161.13239	8.9
169.10048	9.9
173.13312	12.4
183.06548	9.3
187.14749	11.7
203.14273	8.1
207.32674	7.7
229.19650	9.5
233.15089	8.9
247.20567	23.7
249.18526	9.5
321.24210	82.1
344.66321	7.7
465.29315	23.9
466.79617	7.6
483.31210	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	1.1
55.05510	18.1
57.03439	7.8
57.07075	7.8
61.34544	0.9
64.36372	0.7
66.27939	0.7
67.05486	3.2
69.07064	22.1
70.88469	1.6
70.88839	1.6
71.08619	6.0
74.80295	0.8
79.05446	2.3
79.87045	0.8
81.07043	4.5
83.04950	0.9
83.08147	1.0
83.08615	17.1
85.10160	2.4
93.07034	2.6
95.08591	3.1
97.06538	1.9
97.10162	13.3
98.98452	9.4
107.08546	1.8
109.10106	1.4
111.11705	3.3
114.09099	0.9
116.43610	0.7
121.10126	2.3
125.13232	1.0
135.11652	2.3
149.13301	1.1
155.00984	5.7
173.02180	0.9
237.22092	1.3
311.25787	100.0
312.26190	2.0
321.57758	0.8
447.25049	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.01866	1.6
55.05514	3.3
57.03431	1.4
58.68249	1.2
61.02943	1.5
66.21111	1.6
67.05505	5.8
69.03426	7.3
69.07056	6.5
70.40818	6.3
70.74122	1.3
71.04987	2.2
73.02924	1.9
78.85804	1.3
79.05500	5.5
81.03425	3.3
81.07068	11.3
83.04976	1.7
83.08617	2.6
85.02890	10.8
87.00838	2.5
91.05468	7.6
93.07040	10.0
95.04961	2.7
95.08617	10.6
97.02918	3.3
97.06527	2.7
97.10171	1.7
99.04491	1.5
105.07021	9.6
107.04993	1.6
107.08590	8.2
109.02882	2.9
109.06541	2.5
109.10155	9.3
111.08084	1.7
111.55337	1.1
115.03954	1.9
117.07052	2.6
119.08585	9.2
121.06520	2.0
121.10134	6.6
123.11715	3.2
125.09622	1.9
127.03935	4.4
131.08560	5.1
133.10092	6.3
135.08070	2.9
135.11717	3.7
137.06020	4.9
137.09654	1.7
139.03954	1.5
143.08633	1.6
145.04944	2.5
145.10178	6.0
147.08084	3.3
147.11720	5.9
149.09662	1.5
149.13326	3.1
153.12799	2.2
157.10181	3.8
159.08063	1.8
159.11745	4.0
161.09669	5.3
161.13246	3.6
171.11690	2.9
173.13327	1.7
175.11203	3.8
175.14781	3.2
181.04892	1.4
185.13263	2.3
189.16452	4.9
199.14886	2.7
201.16386	1.6
209.13487	1.4
213.09763	1.8
213.16455	2.3
215.18086	1.7
217.12334	1.6
217.15945	7.2
219.17476	1.8
235.16838	13.3
295.17563	1.9
397.21738	10.3
439.22916	17.9
465.30429	3.9
483.22198	100.0
484.22644	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01855	0.6
55.05492	0.7
57.03426	1.0
61.02906	1.5
65.03938	0.7
67.05499	2.1
69.03429	5.0
69.76941	2.5
69.77353	1.0
73.02915	1.1
77.75316	0.6
79.05509	0.6
81.03393	1.8
82.06556	0.7
83.04956	1.7
85.02415	0.9
85.02898	9.3
93.07023	1.3
94.06548	3.0
95.04922	1.3
96.08131	3.2
97.02879	4.4
97.06550	0.7
98.06019	1.8
105.43672	0.7
107.07293	0.7
108.08113	2.3
109.02832	1.2
110.06043	2.8
110.09682	5.3
111.04407	2.0
120.08103	2.9
122.06024	2.6
123.06818	1.0
126.05433	0.8
127.03901	2.0
136.07561	1.1
137.08356	1.0
138.05502	4.7
138.09132	21.4
139.03914	4.4
146.06062	1.3
148.07549	2.3
156.06557	18.4
166.08636	34.5
172.11214	0.6
177.14505	0.5
183.09297	0.8
184.11224	1.1
188.07036	1.7
188.10722	1.6
194.09607	1.0
196.09901	3.6
197.10696	1.6
198.07666	1.1
198.11592	0.8
202.08691	1.4
202.12253	1.1
206.08398	8.0
209.06999	0.8
211.12216	3.7
212.10892	0.7
213.10060	0.6
214.08664	1.7
215.09431	2.2
216.10127	2.8
219.01820	0.9
220.09862	1.6
221.10750	4.2
223.08658	2.2
224.09482	2.9
225.10265	0.6
226.11043	1.2
227.08127	1.0
230.11771	1.7
232.09686	1.3
233.10446	1.0
234.11211	4.4
237.02695	0.7
237.10240	1.7
238.11101	3.2
239.08101	1.1
239.11790	11.7
240.10146	1.8
241.09767	1.6
251.36110	0.6
252.08800	1.0
254.10529	1.4
257.12781	2.1
258.11237	4.5
262.10724	7.4
267.11264	30.6
271.10928	0.6
272.11539	3.2
276.12283	8.8
285.12338	22.8
290.12509	1.3
303.13373	20.8
304.11829	8.4
321.14429	100.0
339.11343	1.1
483.19644	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02397	2.2
50.85107	2.3
55.01890	2.8
55.67593	2.3
57.03438	4.3
65.15739	2.1
67.05485	3.9
67.78919	2.4
68.99806	3.0
69.03426	100.0
69.07045	3.2
70.77101	6.0
79.05480	4.9
81.07029	8.3
85.02912	5.0
91.05453	3.1
93.07017	4.9
95.04909	2.9
95.08598	6.1
97.02950	2.8
105.07007	6.0
107.08583	7.4
111.04424	4.2
121.10095	4.3
123.11692	2.7
131.08601	4.8
133.10104	4.4
137.05873	3.8
139.03896	73.9
141.07011	5.1
145.10075	3.9
149.02272	2.9
151.03981	3.2
153.06978	10.6
155.04865	3.3
155.08536	16.8
163.03917	28.0
165.05760	2.5
165.06976	16.3
168.05666	11.2
169.06458	4.0
177.05421	5.9
178.07701	2.7
179.08534	7.4
183.04417	4.3
183.08046	49.1
186.06783	2.8
187.07399	3.5
188.62718	2.4
197.06042	3.9
200.04793	3.0
201.05443	18.7
201.09114	7.5
207.08084	9.2
211.07526	37.4
212.04581	4.1
214.06288	5.1
215.07018	8.3
227.06993	3.9
229.05028	3.9
229.08588	56.8
235.07524	8.3
239.07004	6.4
243.06415	4.5
243.13988	2.7
251.07065	4.3
253.08543	8.0
257.08063	53.6
269.08023	4.9
281.08176	13.4
308.23148	2.9
321.72845	3.3
345.09756	11.8
366.07196	4.1
371.09088	7.5
389.10153	11.5
407.11188	43.1
410.16537	2.8
483.14822	2.9
483.27756	3.7
483.30847	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01869	4.7
55.05503	7.8
57.03434	5.5
57.07069	12.6
59.04996	3.8
61.02921	5.1
65.74593	0.9
66.55038	1.0
67.05501	1.4
68.99775	1.3
69.03429	23.2
69.07064	49.4
69.50216	3.9
69.50642	5.6
71.04978	5.4
71.08629	7.7
73.02924	7.8
73.06556	11.1
81.03407	16.6
81.07057	2.4
83.08588	1.4
85.02900	58.5
85.10182	5.0
87.00825	19.2
89.06025	24.8
91.05462	1.0
93.07006	1.3
97.02888	31.3
99.04458	9.2
99.11736	1.4
105.01859	36.1
107.08624	1.2
109.02867	17.8
109.10181	2.4
111.11713	76.5
113.02337	1.0
115.03949	4.0
117.01868	1.6
119.08549	1.2
121.08401	1.0
121.10157	1.6
127.03914	39.6
129.01793	1.9
129.12749	100.0
130.13074	1.3
135.07996	1.5
137.06050	1.1
145.04948	21.4
159.02890	7.0
163.05948	1.4
170.15372	1.3
181.04845	1.3
189.03931	1.4
199.16927	18.6
213.03912	4.0
217.17981	19.8
231.04997	11.5
249.06018	5.1
293.44540	1.2
359.16931	2.3
473.58585	1.4
482.21408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01867	2.1
55.05513	1.4
57.03433	44.3
57.07069	1.3
59.04987	1.8
60.04526	3.2
61.02636	1.1
61.02923	14.5
67.05499	1.5
69.03425	40.9
69.07062	14.6
70.56993	0.6
71.01346	5.8
71.05001	2.2
71.08620	1.0
72.04543	0.6
73.02913	100.0
73.06579	0.9
79.05479	1.3
81.03403	4.7
81.07037	5.8
83.08591	1.2
83.98618	0.6
84.04507	1.0
85.02899	60.3
87.04470	3.3
88.62424	0.6
91.03960	2.5
91.75707	0.7
93.07048	4.0
95.08604	5.0
96.04504	2.2
97.02885	71.6
97.06521	2.8
98.06055	1.8
99.04473	2.8
99.08082	1.0
106.98994	0.7
107.08588	4.1
108.04439	0.9
109.02872	6.7
109.10141	4.8
111.08079	0.9
111.11713	7.4
113.09621	1.5
114.05580	1.3
115.03925	69.8
115.07569	0.9
121.10138	1.0
125.13260	1.2
126.05532	2.2
127.03911	22.5
132.06577	3.4
133.04950	18.2
133.10141	1.0
135.11700	4.6
137.06029	1.8
139.11156	0.7
144.06541	12.7
145.04947	28.0
147.11684	0.7
149.05984	0.8
150.07616	7.8
153.12737	27.7
156.06555	1.4
162.07628	10.6
163.06027	7.8
171.13789	55.8
180.08658	13.6
193.04974	1.7
195.13852	0.8
204.08682	0.8
207.13899	0.9
211.05962	1.1
223.05931	6.8
231.13789	0.9
237.14827	1.1
241.07056	9.0
249.14790	3.6
259.08148	5.7
267.16016	2.2
276.10892	1.8
285.17139	1.5
294.11810	7.0
295.07095	0.6
295.10135	3.5
297.17172	0.7
312.12936	2.3
337.14413	1.3
417.62222	0.7
482.20709	2.1
483.20691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05501	2.4
57.03435	13.7
57.07061	2.1
58.96123	0.7
59.04992	2.0
61.02924	4.1
67.05488	1.2
69.03427	15.9
69.07063	9.8
69.46913	8.0
71.01355	1.8
71.04982	10.6
73.02912	25.0
73.06546	1.4
79.05499	5.7
79.05876	1.0
81.03412	2.0
81.07050	10.9
81.54108	0.8
83.04985	1.3
83.08606	2.5
85.02905	27.0
87.04447	1.7
91.03950	1.3
91.05495	4.8
93.07040	16.1
95.04989	1.3
95.08617	5.3
97.02887	25.3
97.03512	1.8
97.06529	2.6
99.04436	2.2
103.05466	1.6
105.07017	8.1
107.08592	14.5
109.02872	1.8
109.06480	1.5
109.10164	3.3
111.04416	1.0
111.08096	0.8
115.03925	18.8
117.06994	1.1
119.04945	2.0
119.08595	6.1
123.08030	1.0
125.06046	1.5
125.13258	5.5
126.09139	1.5
127.03926	8.7
131.08603	1.5
133.04985	5.6
133.06476	4.7
133.10138	1.6
135.04344	0.9
135.08058	1.5
135.11690	22.2
137.05954	2.2
137.13277	1.7
143.08582	1.2
145.04956	8.7
145.10115	2.4
147.08040	1.5
147.11674	1.4
149.05981	1.5
150.06783	2.6
151.07555	1.9
151.11255	1.3
153.05450	6.4
153.12733	100.0
154.13144	0.9
161.09523	1.4
163.06013	4.6
163.11140	1.2
165.07892	0.9
165.09123	4.4
165.12753	4.4
167.07072	2.2
171.07858	0.8
171.13879	0.9
173.09549	2.0
173.13269	1.0
177.05479	1.7
177.12773	1.0
178.00838	0.8
189.12747	1.1
191.10866	0.8
193.08607	14.0
195.06552	5.9
195.13638	0.9
207.13818	2.4
209.08130	3.6
211.09639	32.2
223.06059	2.7
226.73174	0.8
231.13734	1.7
241.07092	2.8
243.13800	1.5
246.14909	1.4
259.08173	4.9
261.14828	3.4
275.24869	0.9
279.15912	2.9
285.16968	2.1
295.10294	6.7
297.16867	5.2
303.05109	1.0
315.17993	15.5
315.21371	1.2
319.04431	1.9
320.04755	4.7
320.14923	4.0
333.18939	5.0
483.11313	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05501	4.4
57.03430	5.4
60.04513	4.8
65.03948	1.3
67.05489	12.1
69.03415	3.6
69.07050	8.7
69.90036	8.0
70.06580	4.4
71.04984	2.7
73.02914	3.0
78.29844	1.2
79.05476	6.6
81.03432	1.6
81.07050	38.4
83.05005	1.2
83.08607	4.6
85.02892	8.8
85.06544	2.8
91.05465	8.6
93.07035	6.8
95.08600	5.5
97.02876	4.2
97.06513	2.7
98.20765	1.6
99.08089	1.5
105.07022	16.9
107.08559	7.3
109.06513	2.6
109.10143	2.7
119.08577	11.8
121.06549	1.7
121.10135	11.4
122.65032	1.1
123.08082	2.7
123.11707	15.1
127.03928	2.2
127.07560	1.4
135.11597	1.3
137.05977	4.7
137.09715	1.2
141.09138	1.5
145.04900	1.6
147.11684	38.3
157.10114	2.3
159.11751	1.3
165.12726	14.7
175.11200	2.6
183.13806	2.1
188.16356	6.1
217.70192	1.4
229.14352	5.2
251.77263	1.2
267.15894	47.5
279.91080	1.3
285.16943	100.0
286.17361	1.9
309.87442	1.2
482.25812	5.1
483.17807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01859	1.6
55.05509	0.9
57.03438	2.0
57.07078	0.4
59.04984	1.3
61.02909	1.3
67.05478	0.6
69.03420	5.3
69.07059	1.3
69.26896	4.1
69.27308	0.9
71.01341	0.5
71.04987	10.8
73.02911	6.1
73.06561	2.4
79.05480	3.3
81.03401	1.1
81.07054	13.4
83.08602	0.7
83.24933	0.4
85.02903	12.8
85.03420	0.6
91.05475	1.4
92.07293	0.4
93.07040	9.7
95.08598	1.5
97.02277	0.8
97.02890	11.2
97.06542	0.9
99.04456	0.8
103.03921	0.7
107.08586	7.4
109.02880	1.2
109.10136	1.6
111.08061	0.5
115.03928	3.9
127.03912	4.9
133.04945	4.2
135.11688	14.9
142.56654	0.4
145.04979	4.0
153.12738	100.0
154.13072	1.7
163.05962	2.1
167.07016	0.8
171.13736	0.9
197.13266	0.4
199.06017	0.4
223.06015	1.6
241.07091	1.7
259.08151	2.9
295.10184	1.0
374.99860	0.5
382.61090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05512	2.4
55.21981	0.4
55.36833	0.4
57.03427	3.1
61.02905	1.8
67.05501	7.3
69.03408	0.6
69.07066	5.5
69.93398	2.2
70.40310	0.6
71.04986	0.6
75.29975	0.4
79.05486	5.2
81.07053	26.5
83.04957	2.4
83.08620	3.0
85.02901	2.7
85.06525	1.7
91.03968	0.8
91.05466	8.0
93.07040	3.6
95.04958	1.0
95.08602	6.1
97.02850	1.0
97.06516	2.7
99.08094	1.4
101.06010	0.8
105.07021	11.8
107.08587	5.1
109.06501	2.1
109.10146	1.1
111.08092	0.6
113.05965	0.7
119.08582	10.4
121.10128	9.1
123.08038	1.5
123.11703	13.5
127.07559	1.3
129.06992	0.7
133.10120	1.7
137.13318	1.1
141.09137	0.5
147.11681	34.3
149.09497	0.6
157.10133	2.1
165.11368	1.0
165.12747	15.5
175.11180	1.6
180.54253	0.5
183.13739	2.3
193.12244	1.7
229.14311	5.5
267.15909	41.1
268.16364	0.6
285.16943	100.0
286.17377	1.0
303.18149	0.7
309.88681	0.5
415.97675	0.5
434.90240	0.5
447.21948	1.0
482.48145	0.5
492.70016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01864	1.0
55.05505	2.9
57.03437	3.6
67.05500	8.6
69.03415	2.7
69.06767	0.6
69.07074	6.0
69.60192	4.4
71.04976	2.1
73.02898	0.5
79.05483	5.4
81.03404	1.5
81.07050	27.5
83.04961	2.7
83.08595	2.9
84.08091	1.0
85.02901	5.2
85.06526	2.4
91.05475	8.6
93.07036	5.0
95.04968	1.2
95.08603	6.9
97.02880	1.8
97.06535	3.1
97.10154	0.7
97.38251	0.5
99.08080	1.7
100.11292	0.6
105.06371	1.1
105.07024	13.2
107.04966	1.3
107.08592	5.5
109.06500	2.3
109.10145	1.7
119.04910	0.6
119.08573	9.3
120.08068	0.6
121.10139	9.4
122.03603	1.0
123.04393	1.7
123.08057	1.8
123.11694	13.0
127.03889	2.3
127.07521	1.2
129.07002	0.9
133.10127	1.2
137.05946	3.6
137.09637	0.9
137.13202	1.0
138.06325	1.8
141.09048	0.6
145.04916	0.8
145.10095	0.7
147.11679	34.0
153.12666	0.7
157.10098	2.1
161.05936	0.7
165.12753	17.1
167.07056	1.7
175.11156	1.9
180.08574	0.8
183.13791	2.4
193.12280	1.1
211.13217	0.8
229.14362	8.1
267.15884	30.9
285.16943	100.0
286.17300	2.0
303.12128	0.7
429.21155	2.8
430.15390	0.7
447.22235	0.7
481.80554	1.1
482.18747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02200	0.4
55.01861	1.0
55.63469	0.3
57.03433	0.6
62.06090	0.5
63.02386	0.5
65.03943	0.5
67.20255	0.4
67.27372	0.4
69.58871	0.6
69.59276	3.1
69.90749	0.4
73.02884	0.5
79.05489	3.5
81.07032	0.7
85.02917	1.0
90.89797	0.4
91.05476	4.2
93.03407	0.7
93.07026	1.1
95.04962	1.5
97.02890	0.7
97.06502	0.7
103.05463	3.5
104.06200	0.4
105.03394	0.4
105.07024	12.9
106.04148	1.1
107.04959	2.7
108.05749	0.8
109.06492	1.1
114.40659	0.4
115.05424	0.7
118.04146	3.7
119.04926	1.9
120.05697	0.9
121.06501	2.2
122.05983	0.8
122.07285	1.3
123.08026	1.4
124.05207	1.4
125.05978	0.6
131.04932	0.9
132.05699	0.4
133.06479	12.0
134.07217	0.8
135.04408	1.7
135.08038	3.1
135.11661	0.7
137.05960	3.4
140.07043	1.5
145.04858	0.5
146.03560	0.6
146.05994	1.7
147.04393	1.0
147.07933	0.4
148.05188	0.8
149.05971	4.6
150.06743	9.3
151.07527	3.8
153.12717	1.5
153.14330	0.4
159.04398	0.7
161.05954	1.8
163.03868	1.4
163.07542	0.6
165.09099	9.0
167.07014	9.3
171.13831	0.4
174.05522	1.0
174.87312	0.4
177.05447	3.9
178.06215	0.7
179.07030	2.2
180.07796	0.5
181.08557	1.6
182.16814	0.4
191.07042	0.5
192.07780	0.6
193.08591	49.9
195.06573	1.0
197.11661	0.9
209.08069	13.9
210.08791	0.5
211.09634	100.0
212.10069	1.5
294.31195	0.4
299.10132	0.7
313.11774	1.3
341.11316	2.7
350.07214	0.5
371.14917	0.7
391.17572	0.6
392.08603	0.4
403.17349	1.0
434.09415	0.6
446.09384	0.5
464.10440	1.1
482.11548	3.6
482.18311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04366	0.4
52.83243	0.4
55.05503	1.0
55.46786	0.4
57.03448	0.5
58.06585	0.5
67.05494	1.6
68.80607	0.4
69.03423	1.7
69.07063	1.7
69.56398	0.8
69.56804	2.9
71.04999	0.7
73.02891	0.6
79.05504	0.8
81.07049	3.6
83.04987	0.5
83.08604	0.8
85.02898	1.8
85.06548	0.6
87.00818	0.4
91.05473	1.5
92.17461	0.4
93.07036	2.5
94.04191	0.4
95.04990	0.7
95.08573	2.2
97.02890	0.8
97.06548	0.5
97.10170	0.6
99.08107	0.5
100.11270	0.6
105.07033	1.4
107.04925	0.6
107.08591	1.2
109.02886	0.8
109.06540	0.6
109.10156	1.8
111.04462	0.6
113.06102	0.4
117.06963	0.6
119.01917	0.6
119.08595	1.3
121.06492	0.8
121.10147	2.2
122.03616	0.7
123.08045	0.5
123.11714	1.1
125.05961	0.4
125.09622	0.5
127.03906	0.9
133.10121	1.1
135.11752	0.9
137.05968	10.4
137.13280	0.5
138.06285	0.5
139.03973	0.6
140.10744	0.4
143.08476	0.4
145.10107	0.7
147.04404	0.5
147.11700	0.5
149.09529	0.6
151.03937	0.6
151.07544	1.7
151.11205	0.5
153.05396	0.5
157.10179	0.6
159.08028	0.5
159.11681	0.7
161.02960	0.5
161.05981	0.4
161.09673	0.5
167.07127	0.7
170.15454	0.5
175.14847	0.6
190.09300	0.4
191.07066	0.4
215.14394	0.4
215.18141	0.4
233.15070	1.8
265.08575	0.8
269.15970	0.6
283.26080	0.5
285.11136	0.9
289.05331	1.1
293.16019	1.5
297.11218	1.3
340.09509	0.4
349.77292	0.4
377.19437	0.6
395.20285	8.6
437.21411	19.3
438.21857	0.9
445.29749	0.5
481.20428	100.0
482.20679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08474	0.4
53.03930	0.6
55.01863	0.9
56.96541	0.5
57.03422	1.5
61.02923	6.1
65.03931	1.1
67.05492	1.1
68.99786	1.6
69.03433	3.0
69.07050	0.8
69.50290	3.7
71.01325	0.6
71.04980	1.1
71.24210	0.4
73.02907	2.7
79.05489	1.9
81.03402	1.3
81.07054	1.9
83.05009	0.5
85.02901	9.1
91.03946	2.8
91.05486	2.0
93.07053	1.0
94.04189	3.3
95.04977	1.1
95.08613	1.2
97.02877	4.4
97.06532	1.5
98.97578	1.1
101.06018	0.5
103.05481	0.5
105.07021	1.9
107.04948	2.0
107.08573	0.5
109.02885	2.2
109.06490	1.0
109.10193	0.6
111.00786	2.3
111.04454	0.8
115.03898	1.1
115.05449	0.5
116.98600	0.7
117.07070	0.4
119.04931	1.7
119.08630	0.6
121.02861	4.3
121.06491	1.2
122.03654	7.7
123.04425	0.7
123.11707	1.2
127.03903	3.0
128.98572	0.5
129.07007	0.6
130.06535	0.7
131.04947	1.1
133.02815	0.5
134.10413	0.4
134.99672	0.5
135.04404	1.4
135.70692	0.4
136.07559	0.7
137.02443	2.1
137.05966	93.2
138.06276	0.9
145.02834	0.7
145.04968	1.2
145.06453	0.5
147.04408	2.0
149.05959	1.6
149.09570	0.5
150.06639	0.4
151.03906	1.0
151.07570	1.3
151.11165	1.3
152.11565	0.6
153.01822	10.5
153.05455	2.8
153.06715	0.5
157.07600	1.0
161.05988	4.0
163.03922	0.7
163.07547	1.3
164.10704	1.0
165.01819	3.2
165.05734	0.4
165.06990	1.8
166.02654	0.5
166.07780	0.9
167.07048	3.0
167.08325	0.6
169.06447	0.6
169.12227	2.6
170.12628	1.1
175.03903	0.6
175.07553	0.9
177.05498	1.0
177.06931	0.6
179.03424	1.1
179.07024	1.2
179.08511	0.8
181.06487	0.8
182.07303	0.8
183.02882	1.1
183.08092	0.8
184.68335	0.4
187.03940	0.6
189.05420	0.8
192.10239	1.3
193.04926	0.8
193.06567	1.5
194.07233	3.5
195.02907	0.4
197.06042	0.6
199.03961	0.8
201.05513	1.1
203.03415	4.2
205.06587	1.9
207.04579	0.5
207.08119	0.6
209.09624	1.0
210.06714	1.2
211.07523	1.7
213.09277	0.5
215.03358	0.7
215.07039	0.5
217.04970	3.3
221.04359	1.6
221.06296	3.2
222.06685	2.6
224.08289	1.1
225.09077	1.8
227.07036	0.8
228.07944	0.5
229.04973	1.2
231.02843	0.5
235.07632	0.5
236.08415	0.6
237.03011	0.8
237.05310	0.5
237.09116	2.9
238.06255	0.4
239.06999	0.8
240.07758	0.4
245.04427	5.5
250.06296	0.7
251.06949	0.6
252.07727	0.7
253.08525	2.1
256.07321	0.5
257.04529	1.0
263.05176	0.7
265.08578	9.3
266.08545	0.7
267.10184	2.2
271.06699	0.5
271.09497	2.5
273.03909	4.9
277.08676	1.0
281.07922	0.5
282.08829	1.3
283.06036	0.5
283.09790	0.9
285.11221	6.7
287.13773	0.9
290.04184	1.2
291.04825	0.6
293.08115	0.7
295.06073	1.8
297.11212	12.5
301.03702	0.8
301.11658	1.4
307.06143	1.8
307.10620	1.6
308.06735	1.2
309.07697	0.8
309.11111	2.2
315.12244	15.2
319.04462	100.0
319.16656	1.6
320.04749	5.9
321.07590	9.9
321.11191	0.8
322.08173	1.2
325.07126	0.6
327.12186	0.7
329.11481	0.6
333.07504	5.5
335.08969	0.8
339.12338	0.9
345.07828	0.9
346.08185	0.5
347.09091	3.8
349.07043	8.7
350.07318	0.6
351.08670	1.7
361.06970	5.2
361.10837	1.2
373.07101	0.5
375.08679	5.3
379.08035	2.5
387.08554	1.3
389.10165	0.9
391.08182	0.8
397.09259	2.5
403.08151	5.5
415.08139	1.6
417.09634	1.8
421.13519	1.0
433.09232	2.6
433.16162	1.0
435.10657	0.7
439.14612	0.5
445.08984	2.0
445.15231	0.8
451.17758	0.7
457.17374	0.6
463.10196	7.2
463.17267	2.2
481.11243	32.0
481.17618	2.2
482.11493	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70987	0.3
57.03415	0.4
59.41091	0.3
61.02906	0.6
62.72503	0.3
65.06277	0.3
69.03424	0.5
69.53590	1.8
69.54008	0.8
81.07038	0.8
82.10242	0.3
83.04956	0.3
85.02892	1.2
91.05470	0.5
93.07030	0.4
95.08605	0.5
97.02896	0.7
98.40814	0.3
107.08537	0.4
115.37225	0.4
119.01871	0.3
121.10159	0.4
126.28313	0.3
135.11723	0.3
137.05968	1.8
153.01857	0.5
153.12805	0.6
165.49458	0.3
167.07079	0.9
169.03407	0.4
185.04051	0.6
187.04578	0.6
203.05321	0.7
221.05038	0.4
245.06313	1.0
259.08005	0.4
262.18091	0.3
273.04105	0.3
287.05551	1.1
297.11234	0.4
304.04938	0.5
317.06604	1.6
318.06927	1.5
319.07257	4.0
329.07394	0.4
330.66431	0.4
347.09442	1.5
481.16794	100.0
482.16910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
56.96555	0.4
57.03431	0.5
62.20320	0.2
65.54454	0.2
67.05487	0.2
69.03414	0.6
69.07062	0.4
71.04990	0.3
71.63245	0.2
73.02902	1.6
74.81778	0.2
79.05483	0.5
81.03394	0.4
81.07042	0.7
85.02899	1.1
91.05464	0.5
93.07035	0.6
95.04926	0.3
95.08594	0.5
97.02882	1.0
98.97574	0.7
105.06998	0.4
107.04951	0.6
107.08588	0.8
109.06487	0.2
109.10112	0.4
113.02124	0.3
114.28232	0.2
115.03929	0.4
116.98626	0.4
119.08620	0.2
121.06522	0.3
123.11682	0.3
127.03819	0.4
131.08514	0.2
133.06491	0.2
135.11725	0.4
137.05948	2.6
139.03873	0.3
141.05241	0.4
153.05479	0.6
155.03168	0.5
158.99603	0.3
161.01297	0.2
167.07048	0.7
169.04797	0.5
171.02679	0.5
173.04202	0.8
173.09644	0.3
177.00679	0.3
185.04147	0.5
186.06575	0.6
189.00729	0.2
197.18939	0.2
201.05359	0.2
207.01611	0.2
215.05289	1.7
229.06859	1.3
237.02863	0.3
245.06337	0.5
252.09384	1.2
275.07501	0.2
283.15469	0.4
284.15735	0.7
291.08286	0.6
301.08932	0.3
317.08466	3.8
319.07971	0.2
319.11948	0.8
349.12592	3.2
358.07202	0.2
389.14868	0.3
423.12723	0.3
440.12430	0.3
481.16772	100.0
482.17081	2.5
503.18054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1678
Annotation	Albiflorin
Peak:m/z	Relative Intensity
50.12338	0.2
53.07682	0.1
55.88764	0.1
67.05505	0.2
69.32507	1.8
81.07054	0.2
98.21520	0.3
113.02197	0.2
118.08598	0.2
137.05974	0.7
141.05267	0.2
155.03178	0.5
169.04771	0.3
171.02652	0.4
173.04158	0.4
175.03650	0.2
186.06544	0.5
186.64148	0.2
203.24486	0.2
212.04263	0.2
215.05322	1.2
220.36417	0.1
229.06825	0.7
257.06363	0.3
259.05753	0.2
275.07562	0.2
277.06827	0.2
291.08423	0.3
301.08902	0.3
317.08356	2.1
319.04309	0.2
349.12576	2.1
423.12979	0.2
440.12836	0.2
442.21634	0.2
481.16800	100.0
482.17160	2.2
484.82239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
57.03421	0.5
57.07064	0.3
67.05491	1.2
69.03407	0.7
69.07049	0.7
69.46324	2.2
73.02905	0.6
79.05484	0.6
81.03407	0.5
81.07056	2.2
83.04982	0.4
83.08615	0.6
85.02903	0.9
85.06530	0.6
91.05451	0.8
93.07024	0.9
95.05048	0.3
95.08597	1.9
97.02843	0.5
97.10168	0.5
99.08082	0.4
101.11806	0.3
105.07014	0.7
105.16190	0.3
107.04948	0.6
107.08565	0.5
109.02888	0.3
109.06527	0.3
109.10132	1.4
119.08573	0.5
120.08155	0.3
123.04401	0.4
123.11695	0.8
125.09600	0.3
127.03871	0.6
131.01813	0.3
133.06508	0.3
137.05968	3.4
137.13268	0.4
143.08455	0.4
145.10115	0.3
147.04408	0.4
151.07503	0.4
155.03160	0.8
157.10187	0.3
157.27197	0.2
165.09113	0.3
167.07043	5.2
169.04721	0.7
171.02737	0.4
171.04204	0.5
173.04190	0.4
177.05450	0.4
179.06915	0.5
179.17915	0.3
185.04205	0.3
185.13429	0.3
186.06497	3.3
193.08580	0.7
197.08026	0.4
197.18967	1.3
207.06371	0.3
209.08025	0.3
211.09554	0.5
215.05211	0.7
215.20064	0.7
219.01775	0.3
229.06773	0.7
257.06384	0.5
301.08698	0.7
317.08463	2.4
349.12543	1.1
366.56143	0.3
450.15042	0.3
451.15094	0.3
481.16779	100.0
482.17212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0979
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.41113	0.3
51.32022	0.3
53.03898	0.7
55.01822	1.6
55.05470	0.4
56.96515	0.5
57.03388	1.5
61.01447	0.3
61.02865	1.9
65.03901	0.4
67.05450	0.9
68.99732	1.4
69.03430	4.4
69.03768	0.7
69.07008	0.7
71.04957	0.7
71.61160	0.5
72.30369	0.3
73.02870	1.3
79.05418	1.0
79.37778	0.4
81.03405	2.1
81.06992	1.2
83.04911	1.4
85.02899	11.2
86.09673	0.4
87.04431	0.8
91.03909	0.7
91.05487	1.7
93.06984	1.2
94.04109	1.1
95.04899	1.0
95.08545	1.0
97.02888	4.4
97.06496	0.4
98.97493	0.6
99.04376	0.6
103.05409	0.9
104.38489	0.3
105.06976	1.0
107.04961	1.7
107.08540	0.8
109.02866	2.7
109.06470	0.5
109.10100	0.9
111.00792	2.6
111.04350	0.5
111.08027	1.0
115.03873	0.7
116.98574	0.6
117.06951	0.4
118.50430	0.3
119.04960	2.1
119.08534	0.4
121.02879	4.0
121.06458	0.6
121.10115	0.5
122.03631	2.5
123.04367	0.4
123.11644	0.4
124.07491	0.3
127.03915	2.9
131.04837	0.7
133.06468	0.6
133.10051	0.5
134.99615	0.4
135.04321	1.2
135.11629	0.5
136.07454	0.4
137.02354	2.3
137.05969	37.4
138.02621	0.5
139.03842	0.6
145.02811	1.0
145.04895	2.0
145.06323	0.5
147.04408	3.5
149.05954	0.9
151.03821	0.8
151.07503	0.5
151.11111	0.7
153.01820	9.8
153.05421	1.4
153.09027	0.6
155.07005	0.8
161.05913	1.5
163.03868	0.6
163.07463	1.0
164.10693	0.7
165.01814	3.4
165.06953	0.9
166.02570	0.5
167.07024	1.4
169.04922	1.2
169.12169	1.1
170.05183	0.4
171.04416	0.5
175.03883	1.0
177.05412	0.9
177.06952	0.5
179.03348	1.3
179.07036	0.8
179.08493	0.6
181.04883	0.4
181.06448	0.4
183.02832	0.8
185.05943	0.6
187.07413	0.6
189.01843	0.4
189.05377	1.0
192.10173	0.7
193.01295	0.5
193.06429	0.5
194.07249	1.2
195.02834	1.2
195.08070	0.5
199.03937	0.7
203.03362	3.4
205.04825	0.5
205.06517	0.6
206.07100	0.3
207.02788	1.1
207.06409	0.6
209.04388	0.5
210.06656	0.6
211.07516	0.7
213.05518	0.7
215.03305	1.2
217.04961	4.5
221.04237	1.6
221.06194	0.6
222.06711	1.0
224.08505	0.4
225.09175	0.7
227.03427	0.5
227.06786	0.4
229.04906	0.5
231.02824	0.5
233.04390	0.6
235.02374	0.4
237.09119	1.4
239.06784	0.4
241.05037	0.4
243.02776	0.7
244.09425	1.1
245.04472	5.0
245.09663	1.2
246.05237	0.7
253.08577	0.7
255.02858	1.1
255.06367	0.4
257.04395	0.7
259.09598	0.5
261.03989	0.6
265.08557	4.8
267.10242	0.5
269.07990	0.4
271.09628	0.8
272.07504	0.4
273.03922	4.7
277.08722	0.4
281.07883	0.4
282.08746	0.5
283.09662	0.4
285.11273	2.2
290.04245	0.9
294.05304	0.6
295.06046	5.9
296.06418	0.5
297.11237	4.9
301.03372	1.0
301.11578	3.3
307.06021	3.1
308.06763	0.8
309.07571	1.4
309.11038	0.9
310.10434	0.4
315.12283	6.1
319.04471	100.0
320.04761	0.7
321.07599	7.4
322.08661	0.4
325.07037	0.9
329.07690	0.5
333.07532	4.4
335.09103	1.2
337.07040	1.3
339.09436	0.6
340.10580	0.4
345.07532	2.8
347.09274	1.1
349.07010	8.2
351.08667	1.3
359.09280	0.7
361.07071	3.5
361.10995	0.4
363.08597	1.7
371.09125	0.6
373.07065	1.9
375.08786	2.4
377.10095	0.5
379.08099	6.2
381.16702	0.5
387.08490	2.1
389.10083	0.6
391.08118	4.7
397.09189	8.4
399.08585	0.7
403.08063	1.3
405.09576	0.5
415.08194	1.7
417.09686	1.5
421.09265	0.5
429.47668	0.4
433.09241	3.5
433.14886	0.5
445.09302	3.3
463.10263	6.3
463.16953	1.5
481.11304	22.7
481.18054	2.1
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	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.96239	0.3
55.05268	0.7
55.05510	10.9
55.05776	0.6
56.96567	0.6
57.03436	6.1
57.07076	5.6
57.82658	0.3
62.06084	0.5
62.20067	0.4
63.85366	0.3
67.05499	9.2
69.07065	17.6
71.04979	1.1
71.08632	2.9
71.36597	0.5
71.36915	0.5
79.05492	3.9
81.03403	0.6
81.06580	0.6
81.07053	9.6
83.04980	0.7
83.08134	0.7
83.08614	11.0
85.02907	0.4
85.06542	0.8
85.10160	1.2
85.74084	0.4
91.03980	0.4
91.05473	0.6
93.07043	5.3
95.04981	0.6
95.08038	0.6
95.08607	8.8
97.02834	0.6
97.06530	1.8
97.10156	6.1
98.06059	0.6
98.38533	0.4
107.08583	4.5
109.10136	3.7
111.08059	1.0
111.11704	1.5
117.39178	0.4
121.10133	4.4
123.04545	0.4
123.11704	1.4
124.50003	0.3
125.09589	0.5
128.98631	0.4
135.11673	4.2
149.13240	1.7
153.12683	0.4
163.14818	0.5
177.16408	0.5
195.37811	0.4
216.06256	0.8
247.24228	1.0
265.25235	1.3
267.09183	0.6
285.10056	1.0
308.29477	9.9
315.11066	0.6
315.61011	0.5
339.28925	100.0
340.29263	1.1
349.66080	1.1
394.74356	0.4
454.72260	1.3
455.22382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01869	6.6
55.05509	14.5
55.18559	1.3
57.03434	5.6
57.07061	5.2
61.02932	8.0
67.05502	21.2
68.99779	3.7
69.03426	31.9
69.07056	8.0
70.06583	3.5
70.79263	1.5
71.04994	4.4
71.08623	1.6
73.02910	7.7
79.05489	4.4
81.03416	21.9
81.07056	44.6
83.08626	17.4
85.02903	100.0
85.06561	1.9
87.00830	43.8
87.04453	2.2
91.05489	1.6
93.07058	3.2
95.08605	53.6
97.02892	34.1
97.10169	16.6
99.04465	14.2
99.08099	1.9
105.01863	79.9
105.07048	2.5
107.04926	2.2
107.08640	4.2
108.04491	2.8
109.02872	31.2
109.10152	70.7
115.11201	2.5
117.01891	2.3
119.08560	2.8
121.06525	1.6
121.10169	1.5
123.10799	3.6
123.11707	72.9
127.03913	64.9
129.01859	1.8
133.10126	2.8
135.07993	1.7
135.11697	2.6
137.05988	6.3
137.13243	22.2
145.04959	31.7
147.02844	2.3
153.05505	1.6
159.02847	10.5
163.11264	1.9
167.06993	1.8
177.16359	2.7
179.17944	57.0
189.03976	4.5
197.18990	47.2
197.20770	2.7
213.03990	3.7
219.10204	2.0
227.12781	3.7
229.66214	2.0
231.05005	28.0
249.06082	19.0
275.05157	1.9
283.15399	5.1
317.06421	3.9
317.13965	1.7
318.06863	8.7
412.38910	1.6
434.07721	1.5
436.20181	2.8
460.09784	1.7
480.19302	15.0
481.16772	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02161	1.6
53.03923	4.4
55.01862	6.5
55.05501	6.8
57.03434	4.5
57.07070	2.5
61.02923	6.3
67.05491	7.2
68.99776	2.6
69.03066	2.4
69.03429	33.2
69.07060	6.2
69.85312	1.5
70.06575	2.1
70.17903	7.0
71.04987	4.4
71.74957	1.6
73.00871	1.4
73.02907	6.0
75.31301	1.5
79.05492	2.8
81.03419	18.6
81.07060	26.3
83.08611	7.1
84.08141	18.5
85.02904	100.0
85.06532	2.6
86.09579	1.8
87.00297	2.6
87.00826	41.9
87.84206	1.5
91.05490	2.5
93.07052	5.1
95.04968	1.7
95.08047	2.0
95.08607	26.8
97.02898	26.4
97.06510	2.5
97.10158	6.6
99.04457	12.5
105.01865	85.5
105.07021	4.5
107.04964	2.2
107.08563	3.9
109.02870	28.4
109.06535	2.0
109.10157	36.4
115.03930	2.5
115.11219	1.7
117.01875	2.2
119.08576	3.6
120.24559	1.4
121.10130	2.3
123.04462	1.8
123.11701	32.3
126.09145	17.9
127.03925	65.4
129.01834	4.8
135.11659	1.9
137.05981	8.8
137.13255	10.2
138.06367	3.0
145.04955	29.0
147.02911	2.2
149.06006	2.0
149.13280	1.8
154.08641	18.8
159.02898	10.2
161.05983	4.2
161.09654	2.0
162.06441	1.7
167.07034	4.6
173.36101	1.7
177.16328	4.2
179.17947	36.8
189.03908	3.4
197.15247	1.9
197.19000	35.8
207.10182	1.7
213.03969	4.0
230.07507	2.4
231.02747	1.6
231.05017	32.2
249.06090	20.3
265.08441	2.0
298.12326	1.9
436.20288	2.3
462.16003	2.3
480.19357	12.2
481.11060	3.3
481.16974	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	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44572	1.7
53.03942	2.4
55.01868	2.9
55.05494	1.8
55.41127	1.7
57.02647	1.5
57.03435	46.7
57.07069	3.5
59.05005	2.5
60.04543	2.1
61.02933	15.1
63.81310	1.6
67.05498	6.7
69.03072	3.1
69.03430	51.6
69.07066	65.4
69.94370	5.6
69.94785	4.7
70.36846	1.8
71.01342	5.1
71.04987	4.0
73.02918	100.0
81.03403	6.2
81.07056	28.5
83.04992	2.0
85.02903	70.4
87.04455	3.0
91.03937	2.7
91.05490	2.2
93.07031	2.9
95.08616	6.6
97.02890	91.4
99.04470	3.2
105.01863	2.3
105.07014	3.3
107.08575	4.3
109.02865	6.5
109.06531	3.2
109.10147	12.8
115.03928	70.7
119.08606	1.6
121.62906	1.6
123.08104	2.0
123.11704	85.3
127.03919	28.0
133.04964	20.3
133.10123	4.0
137.05957	4.4
138.89833	1.7
144.06580	4.6
145.04956	24.3
149.06047	2.1
151.11183	81.3
161.13249	1.9
163.06010	6.4
169.12302	10.0
179.10631	1.5
179.14256	3.0
180.08711	3.1
193.04941	2.5
223.06046	6.6
231.05112	2.0
234.73354	1.8
241.07031	10.4
259.08243	4.7
283.15375	22.3
295.10233	2.0
309.38293	1.8
313.16519	8.2
352.06143	1.9
481.20502	7.9
507.22076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.1
53.03937	10.6
55.01867	13.7
55.05510	26.3
57.03438	34.5
57.07067	2.9
65.03934	5.7
67.01571	2.3
67.05502	87.1
69.03429	60.6
69.07069	25.0
71.01348	6.8
71.04986	11.2
71.63415	3.8
73.02908	10.0
75.04481	3.6
79.05493	57.8
81.02978	3.8
81.03419	55.5
81.07058	90.6
83.04976	16.6
83.08616	13.3
85.02898	30.9
85.06542	3.6
87.04450	6.8
91.05482	58.6
91.06010	2.1
93.07040	73.9
95.04959	23.2
95.08610	65.2
95.09233	3.3
95.56648	2.3
97.02895	26.7
97.06525	7.7
97.10164	8.6
99.04450	16.0
99.08079	3.1
101.02364	2.4
103.03955	12.4
105.07031	59.1
107.04950	10.9
107.08596	44.0
109.02894	23.1
109.06507	13.9
109.10152	30.5
111.04423	9.2
111.08121	5.5
115.03896	6.2
115.05430	5.2
117.05580	3.1
117.07020	32.0
119.08582	44.2
121.06485	9.2
121.10141	35.1
123.04437	7.5
123.08027	5.3
123.11687	13.4
127.03924	32.9
128.06226	6.0
129.05475	9.7
129.06993	21.7
131.08569	43.7
133.06502	6.8
133.10138	35.7
135.08072	8.6
135.11707	23.4
137.05995	5.8
137.09602	4.6
139.11134	3.8
141.07007	6.9
142.07753	4.0
143.08560	20.1
145.04935	11.4
145.06456	6.3
145.10127	33.8
147.08064	6.4
147.11699	24.2
149.05972	2.8
149.09599	3.7
149.13202	12.2
151.11211	3.6
155.07185	2.2
155.08589	11.7
156.09381	2.8
157.06422	4.4
157.10115	16.4
159.08066	8.3
159.11685	25.5
161.09644	9.2
161.13284	16.3
163.11159	5.2
163.14824	6.9
168.09317	2.8
169.10136	8.9
171.08070	5.9
171.11671	15.7
173.09654	7.7
173.13327	14.4
175.07576	4.7
175.11255	6.9
175.14828	6.4
181.10158	6.4
182.10938	3.4
183.06551	10.5
183.11720	8.2
185.09563	5.6
185.13181	11.2
187.11183	6.0
187.14870	10.6
189.09155	3.7
189.12772	6.4
189.16240	3.6
191.10915	2.9
191.14310	2.9
193.12177	2.9
195.11763	3.5
197.09625	5.5
197.13287	8.5
199.11166	3.2
199.14809	5.1
201.07620	6.9
201.12895	4.2
203.14273	4.0
209.13312	5.4
211.11330	3.1
211.14865	4.5
213.12799	5.8
220.37357	2.7
225.12756	2.4
227.14236	4.6
243.20999	4.0
255.21169	2.7
259.20627	6.0
260.82901	2.3
261.22037	12.0
266.68100	2.3
267.15897	2.6
271.16861	2.4
271.20517	2.7
273.22165	3.8
277.21704	3.3
282.02036	2.6
285.22092	4.3
289.21597	2.7
297.22034	3.8
301.21594	5.0
303.23108	7.7
309.22229	3.7
315.23294	5.8
317.24796	5.3
323.23621	2.7
327.23166	10.8
335.25848	6.5
339.23273	3.3
341.24820	7.1
345.24335	9.6
351.22995	19.3
353.27045	2.9
357.24179	4.0
359.25827	4.5
369.24277	27.8
375.25439	3.2
387.25369	17.9
389.26874	2.6
401.26910	4.8
405.26340	3.0
419.28058	6.2
425.26614	5.0
431.27771	6.1
443.27905	31.8
449.28867	8.2
461.28973	60.7
479.30051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2991
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03942	11.4
55.01867	9.1
55.05519	26.9
56.76881	3.3
57.03432	36.9
57.07046	4.6
61.02895	3.8
61.07514	3.5
65.03931	5.0
67.05503	79.5
67.05863	4.4
69.03429	63.1
69.07060	32.9
69.85418	12.7
69.85849	12.2
70.17297	3.1
70.39299	3.9
71.01363	5.0
71.04990	4.8
73.02898	9.1
75.04472	5.2
79.05491	63.5
81.03415	52.3
81.07051	75.4
83.04977	15.3
83.08619	18.0
85.02900	29.7
85.06530	4.5
87.04474	6.3
91.05470	58.2
93.07037	69.8
95.04961	11.2
95.08593	59.5
95.09157	5.1
97.02872	23.3
97.06503	6.9
97.10130	7.1
98.06048	8.7
98.21416	5.4
99.04455	8.9
99.08093	4.6
101.02328	4.7
103.03922	12.5
105.07027	57.9
107.04943	11.9
107.08582	44.3
109.02876	20.9
109.06487	4.1
109.10159	22.3
111.04450	10.3
111.08045	4.5
115.03909	4.6
117.07000	33.3
119.08562	43.4
121.06493	11.0
121.10134	29.9
123.04423	4.2
123.08070	8.3
123.11721	10.1
127.03893	31.7
129.05478	9.2
129.06985	20.7
131.08545	29.2
133.06491	7.0
133.10115	28.4
135.07930	6.6
135.11711	16.5
137.05984	5.4
142.07774	4.1
143.08540	19.0
143.71266	4.1
145.04910	11.3
145.06479	6.6
145.10126	25.3
147.08006	8.2
147.11679	24.1
149.09622	6.7
149.13269	9.7
151.07573	4.2
155.08563	10.5
157.10109	12.1
159.08058	5.4
159.11668	22.3
161.09587	12.1
161.13263	14.4
163.11221	4.9
167.08557	5.4
169.10138	6.2
171.06573	4.9
171.08026	4.7
171.11710	12.8
173.09711	4.0
173.13249	14.4
175.14850	6.9
181.10085	3.9
183.06503	10.3
183.11729	12.2
185.13274	13.6
187.11206	6.3
187.14827	7.2
189.12692	4.6
195.11775	5.3
197.13274	10.1
199.14761	10.8
201.07584	10.6
203.14297	6.0
207.11838	3.7
211.11348	3.9
211.14815	4.0
231.13858	5.2
259.20413	6.5
261.22174	14.6
273.22055	7.6
285.22058	4.7
303.23074	10.2
306.28015	17.0
307.28232	100.0
315.23419	7.6
317.24893	5.3
327.23087	7.8
335.25848	6.1
338.27893	4.1
339.23306	4.7
341.24899	6.3
345.24182	6.0
351.23206	11.1
353.26797	5.6
357.24240	5.8
359.26163	4.3
369.24170	23.1
387.25320	21.2
405.26218	4.6
419.27933	8.5
425.26715	6.1
431.28085	7.9
440.11072	4.2
443.27808	29.3
449.28876	9.4
461.28876	73.8
479.30099	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	0.9
63.47784	0.4
64.10315	0.5
67.05482	0.7
69.07037	0.5
69.33154	4.5
77.00580	0.4
77.00902	4.3
79.05480	0.8
81.07029	1.5
91.05453	0.7
93.07022	0.5
95.01941	2.9
95.04920	0.6
95.08577	0.6
95.37766	0.4
98.21562	0.8
100.02450	0.5
107.08572	1.0
109.10105	0.7
125.04515	0.4
141.03941	1.6
143.05518	0.9
147.05042	0.4
147.11568	0.5
153.03922	0.4
155.05484	2.0
159.05028	2.6
159.11736	0.4
161.06578	2.6
162.72133	0.4
165.09097	0.6
169.07114	2.3
169.10724	1.7
171.05003	1.4
173.06606	7.4
175.08101	0.6
177.06033	0.5
181.07085	0.6
185.06602	0.9
187.04552	0.7
187.08189	7.4
191.07553	1.1
195.08633	3.0
197.10229	4.7
199.08195	0.8
199.47052	0.4
201.06042	2.1
201.07649	1.4
201.09465	0.8
203.07561	0.7
203.09213	0.9
205.05545	2.2
205.09106	1.0
207.12302	1.0
213.09692	10.3
213.11574	0.8
215.09276	0.9
215.11267	7.5
219.06998	3.5
219.08867	0.5
220.11790	0.8
221.10242	4.1
223.11783	1.8
225.09828	0.7
225.13341	6.5
231.10779	2.2
233.10139	3.8
237.09792	0.6
239.11278	11.0
241.12907	1.1
243.14400	12.4
248.15016	0.7
251.11269	41.5
252.11563	1.0
257.12372	4.7
261.15518	2.0
266.16086	1.1
269.12332	71.8
270.12485	2.1
274.12866	4.9
284.17163	0.5
287.13388	41.2
288.13660	1.2
292.13943	5.6
299.09171	0.4
310.15027	2.6
357.14975	0.5
435.26016	1.6
461.23785	11.0
466.98889	0.5
479.24881	100.0
480.25159	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.71898	0.3
55.01861	0.7
55.84470	0.3
57.03417	1.4
58.19810	0.3
61.02921	2.1
68.01535	0.5
68.99789	0.4
69.03425	3.9
70.03870	1.5
71.04986	1.6
73.02901	1.0
80.07940	0.3
81.03426	2.0
85.02904	11.2
87.04475	0.4
91.03918	0.4
92.02616	1.3
93.03397	1.6
97.02892	3.8
99.04438	1.0
109.02869	1.2
121.02843	0.9
126.03111	0.7
127.03891	1.9
137.05981	0.5
139.03912	1.0
143.06508	0.4
145.04913	1.6
151.03882	0.5
153.01826	8.4
165.01825	0.7
201.05473	0.7
217.05013	1.3
218.05800	0.5
219.02916	0.4
228.04181	2.0
229.04922	4.4
245.04492	1.9
246.05244	1.7
248.24998	0.3
257.04456	2.7
260.03229	0.7
270.86707	0.4
271.06149	0.5
273.03931	2.2
274.04700	5.0
284.03085	0.6
285.03983	5.0
287.98468	0.4
301.03412	0.5
302.04202	13.9
317.06549	100.0
318.03445	0.6
318.06918	1.5
333.05951	4.2
450.67615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01865	0.3
55.81899	0.2
57.03423	0.4
61.02924	6.6
69.03431	1.3
70.03901	0.9
71.04972	0.2
73.02914	1.6
81.03407	0.4
85.02901	5.7
88.90013	0.2
91.03397	0.2
91.03951	3.9
92.02612	0.9
93.03397	0.9
97.02888	3.8
98.20821	0.3
99.04482	0.2
101.02363	0.2
109.02894	0.3
113.62741	0.2
115.03923	0.3
121.02876	0.9
122.59127	0.2
123.13731	0.2
126.03114	0.4
127.03892	0.8
133.02771	0.2
137.02328	0.3
137.05952	0.4
139.03896	1.0
145.04942	0.9
151.03897	0.7
151.07549	0.4
153.01819	7.0
161.05984	0.2
165.01831	0.5
173.05852	0.2
177.05452	0.3
179.72798	0.2
183.02916	0.2
200.04684	0.4
201.05447	0.7
203.03397	0.3
217.04958	0.9
218.05766	0.6
228.04158	1.4
229.04968	3.0
231.02931	0.4
239.03304	0.2
245.04453	0.8
246.05264	1.5
257.04410	2.7
260.03357	0.2
261.07361	0.3
271.06238	0.2
273.03949	2.0
274.04727	3.7
284.03165	0.3
285.03922	4.1
288.06064	0.2
299.05676	0.2
302.04211	12.0
303.04510	0.3
317.06540	100.0
318.06848	1.9
327.30939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.05464	0.1
56.96558	0.1
69.03452	0.1
69.11163	0.1
81.06976	0.1
85.02898	0.3
93.07013	0.1
95.08573	0.1
99.04444	0.1
107.08584	0.1
109.06519	0.1
119.08614	0.1
123.11664	0.1
135.11670	0.1
153.01846	0.4
165.05533	0.1
203.03351	0.1
217.05019	0.2
228.04179	0.3
271.06125	0.1
273.04001	0.3
274.04703	16.7
275.04929	0.1
283.06094	0.1
298.06418	0.1
302.04193	30.7
303.04529	0.4
312.15787	0.1
317.06531	100.0
318.06879	1.0
329.18527	0.3
479.11493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	1.6
55.05505	4.6
56.05026	5.9
56.96558	0.6
57.03432	3.4
57.07069	1.7
58.02955	0.7
58.06598	0.9
60.04520	94.6
61.02916	2.9
65.03932	0.5
67.05499	10.4
68.05027	1.5
69.03424	8.5
69.07058	5.8
70.02959	0.4
70.06590	1.1
70.76591	1.0
71.01360	0.5
71.04985	1.7
71.08631	1.0
72.04504	5.3
73.02906	2.0
74.06071	6.5
74.06473	0.5
79.05477	5.5
80.05008	2.0
81.03410	4.9
81.03844	0.5
81.07050	10.8
81.07517	0.7
82.06581	1.3
82.84432	0.4
83.04995	1.1
83.08609	5.0
84.04504	4.6
84.08092	0.5
85.02898	14.9
86.06073	4.0
87.04462	0.9
90.05558	1.2
91.03960	1.4
91.05466	3.3
93.07032	5.2
94.06588	1.0
95.04970	1.7
95.08598	9.9
96.04535	0.5
96.08139	0.9
97.02884	8.1
97.06541	1.0
97.10149	2.3
98.06057	1.6
99.04461	1.1
100.07633	0.8
102.05521	6.9
103.03910	0.5
104.07094	2.9
105.07025	3.1
107.08588	2.6
109.02893	1.8
109.10143	3.9
110.06058	0.8
111.08131	0.4
111.11786	0.4
112.07600	1.1
113.06010	0.4
114.05505	0.5
114.85838	0.4
116.07092	0.8
119.08606	2.3
121.10123	2.7
122.06032	0.4
122.09674	0.5
123.08102	0.4
123.11716	1.3
126.05504	0.4
127.03924	3.0
131.08600	0.5
133.10107	2.4
134.76160	0.3
135.11699	1.5
136.11160	0.4
139.08807	0.4
145.04962	1.1
147.11639	0.9
149.13208	0.5
157.10185	0.4
169.44374	0.4
173.35028	0.4
173.60411	0.4
188.09192	1.1
193.12227	0.6
204.04868	0.4
204.08681	0.7
206.10243	3.2
222.09758	0.6
224.11290	5.5
250.25272	1.8
262.25177	1.9
267.08963	0.6
267.96591	0.4
268.26407	1.2
280.26343	10.5
285.10135	1.7
298.27396	11.6
303.11636	0.7
316.28436	100.0
317.28717	3.1
322.27490	0.9
340.28394	1.0
358.29471	5.2
367.17902	0.8
424.30692	0.6
442.31494	3.0
460.32764	5.2
478.33746	66.8
479.34744	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	0.7
55.01860	1.2
55.05508	13.1
57.03430	4.4
57.07073	2.0
62.06086	33.5
65.03928	1.3
67.05498	27.4
69.06712	1.4
69.07066	16.7
69.66918	5.2
71.08656	1.5
75.29484	0.7
77.03904	0.9
78.19181	0.7
79.05482	9.0
81.07053	24.5
83.08611	7.4
85.06510	0.8
91.05463	4.0
93.07039	7.0
95.04944	1.4
95.08598	21.7
97.06541	1.1
97.10170	2.7
98.06046	6.2
98.21485	1.1
98.98454	9.2
105.07046	4.3
107.08593	5.2
109.10156	9.0
111.08102	0.8
112.07562	1.4
119.08578	2.9
121.10149	4.4
123.11697	3.0
124.01597	2.3
133.10120	3.2
135.11713	3.0
137.09593	1.0
137.13210	1.1
142.02640	2.0
147.11710	1.9
149.13239	1.6
155.01036	6.5
161.13303	1.9
163.14879	1.0
173.02103	1.9
175.14851	1.8
198.05310	2.9
208.76039	0.9
216.06343	4.6
237.28267	0.9
245.22650	2.2
258.97623	1.0
263.23685	7.2
306.27887	75.7
307.28247	2.7
319.26263	1.1
337.27344	100.0
338.27713	2.5
345.59860	0.9
359.37262	1.0
417.24164	2.1
460.28226	6.4
478.29333	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.65285	0.2
53.03949	0.6
55.01862	0.5
55.05512	10.6
57.03437	5.9
57.07075	1.5
59.29165	0.2
62.06068	0.4
65.03925	0.9
67.05503	20.4
69.07066	14.4
71.04985	0.6
71.08630	0.3
76.06371	0.3
79.05056	0.3
79.05490	6.0
81.07056	20.8
81.45460	0.2
82.07397	0.3
83.04962	0.7
83.08620	6.2
85.02899	0.5
85.06527	0.6
91.05480	3.9
93.07043	5.7
95.04948	0.8
95.08604	17.1
96.08940	0.3
97.06528	1.4
97.10169	3.2
98.06033	0.7
98.21498	0.6
98.98480	0.5
99.08082	0.7
105.07019	3.0
107.08586	3.6
109.06506	0.4
109.10152	6.4
111.08072	0.9
111.11686	0.6
119.08585	3.0
121.10143	2.8
122.10467	0.3
123.11684	2.1
124.01620	0.4
125.09589	0.4
131.08588	0.4
133.10121	2.4
135.11652	1.3
136.12030	0.3
137.13257	0.9
147.11719	1.3
149.13254	0.9
151.14799	0.4
151.69734	0.2
153.12836	0.3
161.13252	1.0
163.14816	0.5
175.14796	0.6
177.46687	0.3
180.04250	0.3
191.20435	0.3
216.06306	0.6
245.22778	0.4
263.23639	1.0
279.26868	0.3
306.27924	9.1
337.27356	100.0
338.27682	4.0
345.37796	0.3
378.32202	0.3
414.34271	0.6
432.35532	0.4
442.33984	0.3
460.35373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01862	8.3
55.05504	33.1
57.03426	19.8
57.07059	8.1
61.02907	8.7
61.13127	4.9
66.32909	4.7
67.05488	26.1
69.03430	55.8
69.07069	34.6
69.56718	11.4
69.57128	28.2
71.04989	8.8
73.02902	26.8
79.05492	26.7
81.03410	21.9
81.07055	71.8
82.04201	4.8
82.07394	10.8
83.04977	13.7
83.08604	19.4
85.02906	72.0
85.06530	15.0
87.00825	17.9
91.05460	26.0
93.07042	58.4
95.04956	12.7
95.08591	51.5
96.31750	5.3
97.02882	40.2
97.10166	16.6
98.97474	5.4
99.04404	7.1
99.08076	11.3
103.05490	5.9
105.01830	14.6
105.07026	24.8
106.07364	7.4
107.04948	14.8
107.08590	100.0
109.02860	20.6
109.06521	9.6
109.10159	42.0
110.10517	6.5
113.73784	4.9
113.74613	5.1
115.03942	27.7
119.08579	16.7
120.08922	5.0
121.06509	6.6
121.10139	91.5
123.08056	6.4
123.11703	14.7
125.05969	5.6
125.09610	8.5
127.03912	35.3
127.11269	6.0
131.08569	9.0
133.10112	5.7
135.11679	17.8
137.05931	15.4
137.13245	11.5
143.08556	5.8
145.04962	17.8
147.04349	5.6
147.08051	5.9
147.11635	13.4
149.13243	86.9
155.06018	22.5
157.10144	7.1
159.02812	5.1
159.11688	8.7
163.14757	5.2
165.09084	6.7
167.07082	12.6
167.14310	19.9
169.07564	8.7
175.11208	5.5
175.14804	6.5
177.16376	67.9
177.98662	5.7
182.06009	24.3
183.05533	9.4
185.07097	12.9
187.07733	5.3
189.63867	5.2
193.15848	7.8
194.16245	8.0
195.05566	14.7
195.09180	12.7
195.17548	27.0
205.07607	6.2
211.16899	10.2
212.17207	9.0
213.06609	15.5
221.07028	6.1
222.07928	7.3
223.08685	28.5
226.12325	5.9
227.08200	15.4
229.06133	12.2
229.17940	9.1
230.18359	18.9
241.09923	6.7
251.08138	67.3
255.07562	7.1
269.09180	56.0
279.07681	61.2
279.25555	5.4
280.25302	6.7
297.08661	30.5
315.09656	22.3
317.06573	5.1
337.11575	6.7
338.12704	6.5
353.11334	6.5
367.23318	5.7
368.22888	11.5
386.24100	12.7
414.14520	9.4
418.14130	10.2
432.15482	18.6
442.14011	14.7
460.14987	62.8
460.27554	17.0
471.32901	6.4
478.15927	87.8
478.28778	9.0
478.39908	10.7
479.15848	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	478.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.00294	0.5
53.03943	1.4
55.01869	1.7
55.05511	1.7
56.05840	0.6
57.03436	2.3
57.07096	0.6
58.25262	0.4
59.05013	0.6
61.02924	1.4
67.05501	2.0
67.89665	0.4
68.99799	0.8
69.03423	6.8
69.07066	0.9
69.37914	1.1
69.38332	4.2
70.81622	0.5
71.04988	88.8
73.02907	1.6
75.58371	0.4
79.05490	1.9
80.05841	0.6
81.03416	7.2
81.07055	2.9
83.08627	1.5
85.02901	18.7
87.00827	8.6
87.04495	0.5
91.03967	0.7
91.05489	1.2
93.07007	0.8
95.04956	0.6
95.08582	2.5
96.08939	0.5
96.66122	0.4
97.02879	7.4
97.10155	1.1
98.21564	0.7
99.04440	2.9
105.01865	8.6
105.07028	1.4
106.07389	0.5
107.04961	0.9
107.08652	1.0
108.08941	0.5
109.02877	5.0
109.10146	1.1
113.09632	21.2
113.10422	1.0
117.01879	1.0
117.07040	0.4
119.08575	1.1
121.10126	0.7
123.08103	0.5
123.11696	14.1
125.09666	0.7
127.03904	10.7
127.11164	1.1
129.01875	0.5
135.11655	0.5
145.04968	4.7
145.06070	0.6
156.64900	0.5
158.34773	0.5
159.02873	2.7
175.11195	0.5
176.00182	0.5
177.16273	0.5
193.88516	0.5
194.12535	0.7
195.17435	100.0
196.17781	0.8
213.18480	54.8
214.18895	0.8
231.04971	2.3
249.06084	0.7
267.15915	0.9
285.47598	0.5
350.21820	0.5
366.01071	0.4
368.22922	1.1
386.23932	1.4
391.02930	0.4
404.25018	0.8
443.25934	0.5
460.27527	3.4
478.28650	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01864	4.9
55.05508	3.5
57.03432	4.9
61.02919	4.6
67.05497	3.9
69.03426	21.8
69.07052	6.3
71.04990	71.7
73.02902	3.5
79.05502	4.6
81.03429	15.2
81.07053	7.3
83.05001	1.9
83.08571	2.0
85.02901	73.3
85.06535	2.1
87.00828	28.7
91.05480	2.3
93.07049	5.2
95.04955	3.0
95.08589	5.5
95.29867	1.8
97.02888	17.9
97.10234	1.7
99.04459	9.3
103.03845	1.8
105.01169	3.1
105.01858	49.9
105.07034	2.9
107.08584	4.1
109.02869	16.2
109.10154	11.8
111.11705	3.6
113.09636	23.3
119.79887	1.8
121.10120	4.1
123.08080	1.7
123.11719	14.1
127.03913	46.4
129.01894	2.2
130.12209	2.0
135.11653	2.1
137.05946	2.2
139.11171	3.0
140.07162	2.5
145.04974	19.8
145.10178	2.1
159.02873	6.0
172.34398	1.7
177.16362	7.0
189.03972	6.5
195.17433	100.0
213.18457	25.4
231.05067	15.0
241.11523	2.5
249.06078	7.0
249.10345	3.1
251.11746	3.6
263.11798	6.2
265.13342	16.5
279.11224	14.2
295.10812	2.9
309.12210	13.3
310.13101	7.0
319.10696	3.4
337.11874	28.6
338.12616	19.0
339.13367	2.6
406.80661	1.8
478.19565	7.8
478.28772	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	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01855	1.4
55.05499	8.5
57.03432	2.7
57.07066	2.6
59.04978	1.2
61.02908	3.3
65.03932	1.3
67.05494	5.6
69.03425	7.7
69.07061	16.8
69.56161	9.7
70.06580	1.3
71.01357	1.2
71.05000	5.8
73.02920	7.7
76.82904	1.1
79.05486	8.3
79.34666	1.3
81.03404	4.1
81.07053	13.3
83.08611	10.0
84.08151	1.9
84.14095	1.2
85.02898	20.4
87.00808	2.2
87.04460	1.4
91.05471	7.3
93.07043	18.2
95.04948	2.3
95.08597	35.5
97.02885	9.0
97.10160	4.2
98.20798	3.0
99.04456	2.4
101.02387	1.9
103.05470	1.4
105.01862	9.7
105.07011	5.9
107.04961	14.7
107.08584	53.4
109.02877	3.8
109.06508	1.5
109.10152	9.1
115.03919	3.7
119.08585	2.6
121.06502	2.0
121.10134	83.3
122.06046	2.5
123.04404	2.1
123.08053	1.3
123.11693	5.2
125.09608	2.5
127.03899	13.0
131.08557	1.9
133.04971	2.0
133.06485	5.4
133.10141	2.2
135.11684	20.6
137.05968	2.7
137.13240	31.4
139.11203	3.8
140.07048	4.6
145.04970	6.5
149.05974	2.9
149.13251	4.8
151.07542	1.5
153.01764	2.9
173.04509	1.3
177.16373	100.0
184.09694	6.0
195.17439	23.6
220.09854	1.4
221.10689	1.6
223.12207	2.3
231.04988	4.2
235.08670	4.8
235.12273	2.2
237.10130	3.5
237.13850	4.1
239.11685	1.9
248.09419	2.4
249.05968	3.7
249.10156	9.9
250.11017	5.5
251.11800	11.1
263.11771	14.2
264.12549	3.2
265.10376	2.5
265.13345	36.8
266.14011	3.3
268.12033	2.0
277.09750	4.2
279.11258	21.8
280.11765	1.6
285.03845	1.8
291.11218	7.4
292.12009	1.8
293.12961	3.6
295.10754	7.6
295.13681	1.4
296.11450	1.6
302.04202	4.6
309.12360	31.2
310.13058	18.0
311.13632	1.2
316.08963	2.9
317.02850	1.9
317.06543	33.5
317.10129	2.4
319.10812	6.8
327.83646	1.4
333.05994	11.0
337.11798	77.5
338.12589	45.9
339.13153	3.3
346.14999	5.0
373.36600	1.3
450.20016	1.2
478.19669	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	477.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75246	0.3
54.82568	0.4
70.23562	0.3
70.68369	0.3
70.98454	0.3
71.61551	0.5
95.08595	0.6
139.02689	0.4
148.07535	0.3
150.02472	0.3
168.77843	0.3
219.40967	0.4
447.28534	0.6
477.33395	100.0
478.33707	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.357
Annotation	Oogoniol
Peak:m/z	Relative Intensity
52.72531	2.9
55.05505	28.1
56.96548	5.0
57.03423	8.2
57.07066	5.7
58.34855	2.8
60.04499	2.5
61.02897	3.1
62.06057	2.4
67.05498	41.0
69.03400	3.3
69.06775	3.0
69.07070	31.8
69.49799	2.9
71.59836	4.6
79.05493	21.5
81.07053	59.4
83.08614	16.6
85.06551	3.3
85.10191	3.0
87.04440	3.0
91.05455	16.3
93.07036	38.1
95.08597	79.9
97.06526	4.9
97.10137	8.0
98.06029	5.8
105.07026	30.2
107.08578	55.2
109.10152	44.5
111.08052	5.1
111.11710	4.6
119.08568	36.8
121.10135	66.4
123.08048	6.2
123.11703	32.8
125.09604	3.4
131.08551	6.8
133.10112	27.2
135.11685	38.2
137.13223	6.4
139.07553	6.2
139.11133	5.5
145.10103	8.1
145.41020	2.8
147.11656	20.0
149.13237	33.3
157.10141	3.7
159.11655	10.9
161.13240	16.5
163.14798	32.4
165.12685	5.0
167.10587	3.7
173.13268	4.9
175.14807	17.2
176.70042	2.7
177.16388	10.1
181.12207	3.3
187.14812	9.2
189.16365	12.8
191.14375	4.4
191.17921	48.4
195.13754	3.9
201.16389	9.3
203.17969	14.6
205.15887	8.6
209.15300	9.5
217.19482	11.2
219.17422	4.2
223.16896	9.0
231.20866	5.5
233.18919	3.6
235.20500	4.2
248.55995	3.3
255.21013	7.7
259.20566	4.0
273.22064	9.4
306.27890	77.5
317.17633	7.3
335.19147	4.4
337.27319	100.0
338.16647	3.1
349.15814	5.2
358.20789	3.3
395.32950	19.2
413.34119	80.5
414.34625	4.4
423.32776	3.6
431.29865	3.6
431.35269	50.5
441.33768	14.8
459.34683	37.8
477.27646	7.6
477.35678	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01865	10.2
55.05260	3.1
55.05506	45.1
57.03429	15.5
59.04979	2.6
67.05499	50.6
69.03421	10.6
69.07063	20.4
70.21158	3.2
70.21570	8.8
71.04977	5.1
74.85914	2.1
79.05485	50.6
81.03412	47.9
81.07050	44.6
83.04974	9.8
83.08615	27.9
85.02880	5.6
85.06526	5.1
91.05473	43.9
93.07044	33.2
95.04958	31.7
95.08607	23.4
97.06512	7.7
97.10165	44.9
98.20764	2.3
105.07008	26.3
105.58315	1.9
107.04946	26.7
107.08591	30.9
109.06496	11.1
109.10159	12.0
111.04408	2.7
111.08069	5.6
111.96882	2.0
115.05444	3.5
117.07007	14.2
119.04945	3.8
119.08582	20.2
121.02869	2.2
121.06497	32.7
121.10116	14.4
123.08023	9.7
125.09617	28.7
128.06201	3.2
129.06992	16.3
131.04910	3.4
131.08540	20.5
133.06505	12.7
133.10136	11.1
135.08025	12.7
135.11667	5.5
137.09616	3.1
141.07010	3.4
143.08551	8.2
145.06494	17.2
145.10129	10.6
147.04388	3.6
147.08051	9.3
147.11684	12.0
149.05966	3.8
149.09625	10.3
149.13280	2.6
151.07526	3.9
153.09109	6.9
155.08536	8.0
157.06532	4.0
157.10175	11.6
159.08037	4.4
159.11761	5.7
161.06007	3.7
161.09645	3.0
163.11171	5.3
165.09021	3.1
165.12677	2.9
167.08519	3.0
169.10127	5.2
171.08006	4.2
171.10179	3.0
171.11649	6.9
173.09595	4.5
175.11157	8.9
181.10097	3.0
183.11697	2.7
185.09601	3.7
185.13293	5.0
187.11180	3.4
187.14851	4.0
189.09421	2.7
189.11195	18.7
189.12814	5.0
193.12222	28.2
195.11581	2.3
197.13319	3.7
199.11159	4.6
201.12717	2.7
205.12196	3.3
209.09657	2.5
211.13147	3.7
213.12753	3.2
215.14345	6.1
219.13680	3.3
227.12752	25.8
228.90021	2.1
231.13792	4.2
233.15343	15.1
237.12828	2.7
245.15450	3.3
249.14894	3.1
257.15469	2.4
267.13290	4.2
267.15891	40.6
273.14911	10.9
289.18146	2.6
292.70255	2.3
304.84027	2.6
339.23065	7.2
341.21005	7.5
341.24741	2.4
349.21729	9.6
357.24210	8.8
359.22113	2.2
367.22610	29.5
372.02966	2.4
385.23712	61.4
403.24796	20.8
415.24603	4.0
429.67230	2.1
433.25824	17.7
441.26117	6.1
459.27411	100.0
460.28024	2.6
477.12360	2.4
477.21292	3.4
477.28397	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01861	9.4
55.05510	42.6
57.03430	14.2
57.82581	2.0
57.82890	2.3
59.04975	2.5
65.03928	2.7
67.05170	2.7
67.05505	49.7
69.03432	13.6
69.07085	9.9
70.54758	2.1
70.55099	8.2
71.01347	2.1
71.04990	34.6
78.68707	1.9
79.05489	57.6
81.02981	3.2
81.03418	55.0
81.07055	52.4
83.04996	10.7
83.05393	2.1
83.06245	1.9
83.08614	32.1
85.02901	16.6
85.06530	2.5
87.00845	2.9
87.97670	1.9
91.05473	47.0
93.07033	31.0
95.04965	26.4
95.08603	23.8
96.74231	2.2
97.02878	3.3
97.06519	6.4
97.10167	37.0
99.04443	2.6
103.05431	2.4
105.01808	3.2
105.07021	31.4
107.04405	2.4
107.04967	26.9
107.08579	24.0
109.02887	4.2
109.06506	9.8
109.10157	13.2
111.08064	7.9
113.09651	6.3
115.05460	2.5
117.07027	15.0
119.04951	3.4
119.08582	22.5
121.06506	22.7
121.10129	14.2
123.04454	2.6
123.08048	7.5
123.11696	8.9
125.09620	33.8
127.03905	5.8
129.06985	17.1
131.04935	4.9
131.08546	20.1
133.06493	11.1
133.10141	16.7
135.08051	11.8
135.11705	4.0
137.09583	5.5
141.06972	4.0
142.07677	2.2
143.08553	8.2
145.04832	2.7
145.06462	13.3
145.10081	11.3
147.04378	4.5
147.08038	9.2
147.11687	16.1
149.09589	7.6
153.09125	7.6
155.08574	4.7
157.06505	3.6
157.10135	13.7
159.08057	5.0
159.11656	4.5
161.09615	5.2
161.13266	2.1
163.11206	4.8
165.09097	3.2
165.12756	3.2
169.10110	4.3
171.08044	5.9
171.11674	6.8
173.09641	3.9
175.11162	13.4
183.11534	3.7
185.09634	4.8
185.13237	3.4
187.11153	4.2
189.11195	18.0
189.12782	6.1
193.12218	33.9
195.11710	2.7
195.17439	46.4
195.19122	4.0
199.11134	6.0
205.12296	2.4
207.11719	2.7
209.13217	3.9
211.11259	3.7
211.13147	16.2
213.12784	4.6
213.18503	23.2
215.14340	5.2
217.12216	4.7
223.13217	2.8
227.12660	16.2
228.29718	2.5
233.15399	15.5
237.12723	3.0
241.14244	3.3
249.14833	5.6
255.13759	2.7
259.13394	2.7
267.15924	43.8
268.40341	2.2
273.14871	12.0
291.15945	2.3
334.27444	2.4
339.23273	6.5
341.21136	2.9
349.21613	17.6
357.24216	6.5
367.22650	40.8
367.26822	4.2
385.23682	84.8
398.04349	2.1
403.24808	23.3
423.25104	3.3
433.25693	10.3
441.26221	8.7
459.27368	100.0
477.16354	3.5
477.28403	95.6
478.28415	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36411	1.3
53.03940	4.7
55.01864	4.5
55.05508	21.8
55.05775	1.2
56.05025	1.8
57.03431	4.5
57.07066	2.7
59.04984	3.2
61.02922	1.7
65.03922	1.8
67.05165	1.8
67.05505	22.6
67.28122	1.1
68.05845	1.4
69.03423	17.6
69.07065	13.1
70.06573	1.8
71.04995	5.9
71.60892	2.6
73.02930	3.8
77.03940	1.1
77.61746	1.3
79.05492	14.4
80.05843	1.8
81.03411	12.8
81.06577	1.5
81.07056	26.3
82.06569	3.4
82.07372	1.7
83.04975	15.9
83.08619	15.5
83.30761	1.3
84.04521	1.3
85.02901	20.6
85.06529	9.3
86.06078	2.4
86.09715	1.7
87.00829	5.4
87.04469	2.7
91.05475	12.4
92.05831	1.9
93.07041	16.3
94.06573	8.2
94.07395	2.0
95.04970	12.0
95.06909	2.5
95.08037	1.9
95.08604	18.1
96.08133	3.9
96.08915	1.3
97.02907	7.7
97.06528	3.5
97.10163	10.6
99.04462	2.7
99.08097	4.3
101.06041	2.4
105.01898	2.5
105.07031	12.0
105.07681	1.7
107.04972	5.4
107.08595	20.8
109.02896	7.2
109.06526	4.2
109.10152	32.3
110.10478	1.3
111.04404	1.4
111.08086	4.8
113.05988	2.9
117.07012	4.8
119.04970	2.1
119.08568	9.5
121.06495	8.5
121.10127	10.2
123.08067	4.2
123.11718	14.0
125.09624	13.6
127.03938	7.4
127.11184	11.7
129.07013	3.5
131.04913	1.4
131.08566	5.2
132.09010	1.1
133.06509	3.2
133.10118	8.9
135.08078	3.3
135.11700	13.8
136.12125	1.4
137.05966	3.9
137.09633	2.9
137.13286	1.7
143.08595	2.0
145.04939	2.8
145.06500	3.7
145.10132	4.4
147.04416	2.1
147.08044	2.2
147.11703	4.7
149.09644	4.6
149.13248	7.0
151.07547	2.4
151.11174	3.9
153.09178	1.9
153.12753	4.8
157.10054	2.7
159.02902	2.6
159.08109	2.7
159.11687	2.7
161.05971	1.8
161.13216	1.5
163.07533	1.5
163.11232	2.9
165.09103	7.3
165.16479	1.5
166.13261	1.3
167.07050	3.7
167.08405	1.2
167.14314	11.6
169.10051	1.9
169.12218	19.7
171.11711	1.8
171.13896	1.7
173.13306	2.5
175.07558	1.3
175.11279	1.9
175.14835	5.6
177.16432	1.7
185.15387	6.2
187.11223	1.7
187.14790	1.2
189.09221	1.8
189.11221	3.4
193.12247	2.8
193.15842	9.4
200.62759	1.4
205.12239	1.9
209.15308	5.8
211.16920	51.8
219.47018	1.3
227.12750	3.0
229.17987	100.0
230.18332	1.4
233.15433	3.6
253.18037	3.0
260.23788	2.6
261.24088	6.0
264.30228	1.4
267.15933	5.6
278.24701	8.9
279.25168	22.8
296.25873	3.3
297.26233	10.9
315.08575	3.3
315.27194	2.3
315.30618	1.3
367.22635	3.7
385.23819	10.8
403.25104	3.6
418.85510	1.3
429.13928	2.1
433.25653	2.8
441.26221	3.9
459.26749	15.1
459.32803	2.4
477.13251	1.7
477.27829	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	477.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01859	2.9
55.05256	1.4
55.05508	18.5
56.05032	1.1
57.03442	4.5
57.07058	2.4
57.88997	0.9
59.05005	2.9
61.02916	1.8
65.03953	1.2
67.05501	18.0
68.05843	1.3
68.99801	1.3
69.03424	17.6
69.07063	13.1
70.06592	1.6
70.07389	1.3
71.04992	6.1
71.50478	1.9
73.02908	3.0
73.37093	0.8
79.05490	13.1
81.03414	11.8
81.07050	24.3
82.06584	2.4
82.07368	1.4
83.04977	20.5
83.08616	12.7
85.02901	18.2
85.03321	0.4
85.03413	0.8
85.06538	10.5
86.06055	1.8
87.00821	5.0
87.04458	1.3
89.06033	1.0
91.05470	11.0
92.05836	1.2
93.07043	15.9
94.06567	5.8
94.07362	1.2
95.04952	8.8
95.06905	2.8
95.08595	17.0
96.08129	2.0
96.08919	1.6
97.02897	5.4
97.06516	4.8
97.10152	7.0
97.74040	0.9
99.04445	3.1
99.08082	5.1
100.17470	0.9
101.06020	2.6
103.05475	1.3
105.01860	2.7
105.07029	10.0
107.04932	4.9
107.08588	18.2
109.02875	5.3
109.06498	4.5
109.10153	31.5
110.10519	1.5
111.04404	1.1
111.08075	4.2
111.11684	0.9
112.07666	0.9
113.05965	2.4
115.05464	0.9
115.07565	0.9
117.07007	3.6
119.04951	0.9
119.08572	7.7
121.06480	6.0
121.10142	10.5
123.04412	2.1
123.08052	3.5
123.11703	16.9
125.09639	11.0
127.03918	9.4
127.11184	10.4
129.06979	2.6
131.08560	6.0
133.10120	8.1
135.08076	2.3
135.11681	11.0
137.05971	4.8
137.09608	3.9
137.13329	0.9
139.11188	1.3
143.08571	1.7
145.04962	2.5
145.06491	2.6
145.10136	4.0
147.08044	2.5
147.11681	4.0
148.33067	1.0
149.09624	2.3
149.13243	8.1
151.07541	2.8
151.11122	5.6
153.09151	1.5
153.12743	4.2
155.08516	1.6
157.06526	1.3
157.10136	3.1
159.02888	2.1
159.08006	1.1
159.11687	2.9
161.05936	1.6
161.09628	1.8
163.11230	1.0
165.09120	5.2
165.12737	1.1
167.07069	1.5
167.14310	12.6
169.12225	26.2
171.11685	1.7
171.13809	2.4
173.13181	1.6
175.07561	1.4
175.11237	1.6
175.14827	3.9
177.05473	1.3
177.16403	1.7
179.26314	0.9
183.11641	1.3
183.13847	1.2
185.15379	7.2
189.09312	1.0
189.11217	3.0
189.12781	1.7
191.10660	2.1
193.12231	3.7
193.15898	11.4
205.12236	1.7
209.15297	6.7
211.16916	57.1
212.17238	1.9
215.14343	1.2
227.12698	2.3
227.16374	1.3
229.17978	100.0
230.18388	1.9
233.15532	1.5
246.61313	0.9
253.18008	2.1
260.23813	1.5
261.24118	7.4
267.15845	2.8
273.14825	1.4
278.24783	7.6
279.25113	21.1
296.25870	4.0
297.17056	2.7
297.26208	10.9
313.06943	1.2
315.08600	2.4
315.27448	1.7
349.21680	1.1
367.22641	4.2
385.23770	9.2
403.24606	3.1
433.25964	1.4
441.25797	1.1
441.31027	1.3
459.27298	7.5
459.31882	5.6
477.18442	1.7
477.27216	4.8
477.32715	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.22785	0.1
62.83446	0.1
67.27601	0.1
69.42926	0.1
70.06579	0.2
81.07021	0.2
82.25734	0.2
83.04960	0.3
84.04466	0.1
85.02896	0.4
85.06525	0.4
91.05470	0.2
93.07025	0.2
95.04988	0.2
97.02847	0.2
105.03374	0.2
107.04925	0.2
119.08594	0.2
121.10165	0.1
127.03828	0.2
127.07537	0.2
133.02872	0.2
134.03600	0.3
137.02306	0.3
137.05940	0.4
144.10207	0.2
147.04245	0.2
148.05150	0.5
153.01807	0.6
153.09033	0.3
163.03911	0.2
167.03403	0.6
184.05118	0.2
185.06119	0.2
198.06747	0.2
201.05537	0.2
205.01154	0.2
213.05524	0.2
215.07135	0.2
221.98732	0.2
225.05440	0.5
226.06190	0.4
227.07048	0.2
229.04977	1.9
237.05550	0.2
243.06522	1.9
244.07262	0.7
253.04967	1.0
254.05713	1.3
255.06526	0.6
257.04431	3.3
265.05032	0.2
268.03680	0.6
270.05106	0.2
271.05927	1.3
272.06830	0.7
281.04422	1.2
282.05219	1.7
283.05991	1.6
283.08652	0.2
285.03922	3.0
286.04611	0.8
299.05469	3.0
300.06265	29.1
301.06689	0.5
315.08597	100.0
316.08890	1.8
358.47366	0.1
364.77090	0.2
477.13303	1.3
477.19092	0.4
477.25275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01876	0.9
55.05257	0.8
55.05509	7.6
56.05029	5.7
57.03416	3.1
57.07062	1.0
58.02948	1.6
58.06579	0.8
60.04506	1.9
61.02924	3.8
65.03915	1.5
67.05499	23.7
68.05023	1.5
69.03129	0.7
69.03431	8.6
69.07062	8.7
69.76026	5.1
70.06586	7.1
71.04987	1.7
72.04496	0.9
73.02908	1.8
79.05492	17.8
80.05011	4.2
81.03419	5.7
81.07052	25.4
82.06580	12.1
83.04979	1.6
83.08621	3.7
84.04481	0.8
84.08113	1.1
85.02902	16.0
86.06053	3.1
91.03983	1.4
91.05471	14.6
93.05768	1.1
93.07044	14.7
94.06564	32.2
95.04972	3.7
95.07335	2.8
95.08601	17.1
95.09151	0.6
96.07557	1.0
96.08129	12.5
97.02882	6.7
97.10155	0.9
98.06001	1.0
98.21452	1.4
99.04454	1.4
100.07619	0.6
105.07029	9.1
106.06556	2.2
107.04941	1.9
107.08602	9.4
108.08147	4.1
108.08762	0.9
109.02890	1.8
109.06484	1.3
109.10138	6.8
110.09673	1.3
111.08052	0.9
112.07616	1.8
113.09670	0.8
117.07015	4.5
119.08573	6.4
120.08072	2.7
121.06538	1.5
121.10154	7.4
122.09648	3.0
123.04411	0.7
123.11682	3.2
125.05988	0.8
125.09617	0.9
127.03946	3.4
129.06995	1.1
131.08562	6.4
133.10124	6.6
134.09633	3.0
135.11688	4.9
136.11189	1.7
137.05978	2.2
137.13205	0.7
143.08525	1.2
145.05006	1.7
145.10130	3.7
147.11678	6.7
148.11165	1.1
149.12114	0.8
149.13237	2.6
159.02960	0.6
159.11676	1.9
161.13251	2.2
163.07701	1.1
165.09102	2.7
166.09421	1.0
167.07045	2.0
173.13251	1.3
175.14818	1.8
187.07417	0.9
187.14873	0.8
193.15829	2.2
211.16849	1.5
232.20555	1.1
243.21053	1.8
248.23761	3.1
260.23727	26.5
261.22134	2.5
262.25354	1.6
266.24808	3.1
278.24777	100.0
279.15973	1.2
279.25146	2.5
280.26392	2.5
296.25833	45.3
297.16910	4.1
314.26892	11.0
315.08871	0.9
338.26703	0.7
372.23566	0.7
392.28000	0.8
428.29678	1.3
429.13528	0.9
440.30038	4.3
458.31131	22.3
476.18164	1.2
476.32196	19.9
477.13498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05502	7.4
56.46572	0.8
57.03433	3.8
57.07076	1.2
62.06084	36.6
62.85525	0.7
63.74350	0.7
65.03927	1.3
67.05499	25.9
69.07072	7.8
69.43278	8.6
71.04990	1.6
79.05487	16.4
81.07051	24.8
83.04942	1.1
83.08623	2.6
91.05473	9.0
93.07038	19.5
95.04958	1.9
95.08602	20.5
97.06525	1.5
97.10162	1.3
98.06043	2.0
98.98455	8.3
105.07010	6.2
107.08592	8.7
109.06506	1.3
109.10161	6.6
115.10741	0.9
117.07030	2.1
119.08553	5.2
121.10136	8.3
123.08041	1.1
123.11700	2.0
124.01602	2.1
131.08546	2.2
133.10110	4.7
135.11668	3.6
137.13307	1.0
142.02640	1.6
145.10085	2.4
147.11679	3.1
149.13205	1.9
155.01045	3.0
159.11693	2.4
161.13237	1.6
164.06348	0.8
166.14001	0.8
171.11755	1.1
173.02139	1.8
173.13268	2.2
187.14809	1.0
198.05275	2.6
216.06310	4.4
243.21062	2.3
261.22122	8.0
287.49115	0.9
304.26364	10.6
335.25772	100.0
336.26117	1.6
415.22958	1.3
458.26715	7.5
476.14401	0.9
476.27527	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78940	0.2
53.03926	0.9
55.01885	0.3
55.05508	6.9
57.03436	7.0
57.07061	0.7
62.06081	0.5
65.03932	1.1
67.05500	27.2
69.03400	0.3
69.07063	7.0
69.30140	1.4
69.30561	1.1
71.04990	0.6
78.14735	0.2
79.05488	14.1
81.03441	0.3
81.07051	24.1
83.04953	0.7
83.08618	2.9
85.05273	0.3
85.06535	0.7
89.34541	0.2
91.05473	6.8
93.07037	15.6
95.04967	1.5
95.08601	18.1
97.06509	0.9
97.10158	0.8
97.50725	0.2
98.06046	1.6
98.21486	0.6
98.98458	0.6
99.06769	0.2
105.04501	0.3
105.07019	4.3
105.53977	0.3
107.04999	0.3
107.08588	7.3
107.79404	0.3
109.06499	0.8
109.10149	7.0
111.08080	0.4
117.07010	1.2
119.08568	3.2
121.10130	5.0
123.08038	0.4
123.11687	1.7
124.01585	0.6
126.87981	0.2
131.08560	2.2
133.10130	2.4
135.11674	2.8
137.09622	0.4
137.13234	0.5
145.10094	1.5
147.11655	1.2
149.13226	1.0
153.73465	0.2
159.11678	1.0
161.13257	0.7
163.11131	0.3
163.14821	0.6
173.13226	0.7
175.14742	0.4
183.36066	0.2
187.14835	0.5
198.05228	0.4
216.06310	0.4
220.25084	0.3
261.22208	0.6
304.26324	14.5
335.25769	100.0
336.26169	1.4
385.88116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01860	3.5
55.05494	8.2
57.03440	2.6
57.07038	2.2
60.98845	1.7
61.02916	3.3
67.05495	12.4
69.03430	11.2
69.07063	14.2
70.09757	10.5
71.04977	7.7
73.02915	4.5
79.05485	12.2
80.05791	1.9
81.03402	7.7
81.07053	20.0
83.04953	2.3
83.08603	8.2
85.02898	17.6
87.00825	3.9
91.05468	9.9
93.07035	17.9
94.06545	4.9
95.04942	5.2
95.08601	27.8
96.08118	2.1
97.02882	11.5
97.06479	2.3
97.10178	2.3
99.04455	13.6
100.04775	3.1
105.01836	5.0
105.07018	13.9
107.04951	2.6
107.08600	26.8
109.02870	3.8
109.06507	3.2
109.10142	13.0
115.03914	1.9
117.06957	2.4
119.08562	12.9
121.10149	25.4
123.04440	2.0
123.08030	2.3
123.11698	5.5
125.09618	2.6
127.03898	12.3
129.01849	1.9
133.10110	6.1
135.11671	7.8
137.05951	2.2
137.09587	2.0
137.13304	2.0
145.04945	5.8
145.10143	4.2
145.99461	2.1
147.11668	6.9
149.13228	5.0
151.07460	2.1
151.11176	2.0
159.02853	2.6
163.11136	3.5
165.09070	4.9
166.09430	3.2
167.06975	2.7
168.14409	1.6
175.14792	19.0
177.16379	100.0
193.15933	11.5
211.16878	3.9
215.25963	1.7
226.18149	2.7
227.16304	4.9
227.18391	2.6
228.16733	8.2
229.08405	1.9
229.17990	1.9
231.05023	2.5
260.23810	4.9
278.24774	20.2
283.15326	2.6
296.25830	9.8
314.27225	1.8
315.08566	3.1
404.99252	1.9
458.31250	7.2
476.21912	2.5
476.32458	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	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95671	0.2
53.03934	1.4
55.01866	2.2
57.03432	4.8
59.04999	0.3
61.02921	9.3
63.32268	0.2
69.03424	15.2
70.15745	1.2
71.01332	0.3
71.04985	2.6
73.02909	3.8
73.03295	0.3
79.15433	0.2
80.16568	0.2
81.03409	7.1
83.01313	0.5
85.02898	100.0
86.03232	0.4
87.04470	1.9
91.03951	6.1
97.02883	25.5
99.04443	4.0
101.02390	0.4
103.03927	1.1
107.04951	1.3
109.02872	7.5
115.03928	1.1
117.05563	0.2
127.03905	27.9
131.04889	0.5
135.08054	1.4
144.06531	1.0
145.04945	58.2
147.08028	0.6
159.08051	0.4
160.05151	0.4
162.07613	0.6
163.06000	21.9
171.08028	0.9
175.07475	0.3
180.08575	1.1
181.07040	0.5
201.09085	2.4
204.08606	0.5
221.75865	0.2
225.09218	0.3
243.10120	0.7
261.11203	0.8
271.08029	0.6
289.09222	0.9
325.11240	1.3
433.76248	0.3
476.21045	0.3
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
53.03935	3.0
53.71349	1.4
55.01848	2.9
57.03435	1.6
59.54361	1.3
61.02938	2.1
67.05512	3.2
69.03418	11.3
69.07061	1.8
70.77565	3.7
71.04991	41.8
73.02907	2.3
74.53967	1.5
79.05492	1.9
81.03422	8.1
81.07043	6.9
83.08577	1.8
85.02419	2.2
85.02900	27.8
87.00818	11.9
91.05473	2.6
93.07014	3.2
95.08605	4.3
97.02881	7.6
99.04434	5.1
99.08072	2.4
105.01855	15.8
105.07019	5.6
107.08598	7.8
109.02879	8.8
109.10171	3.3
117.01830	1.6
119.08595	3.3
121.10137	21.5
123.11701	28.0
127.03911	20.5
129.01813	1.4
133.10069	3.6
135.11699	2.3
137.09567	1.5
145.04967	8.1
147.02965	1.4
149.13268	2.1
151.11154	5.9
159.02872	4.1
165.12726	5.7
175.14851	6.7
177.16389	13.3
193.15874	100.0
211.16920	57.1
229.17937	2.7
231.04977	5.8
234.92661	1.3
249.06013	3.0
278.24829	5.4
313.51703	1.9
314.65417	1.4
451.59021	1.5
459.14377	3.4
476.32239	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01867	15.2
57.03433	28.5
59.04995	3.2
60.04529	1.4
61.02925	16.0
69.03428	41.0
70.92833	2.4
71.01357	5.9
71.01669	0.8
71.04987	1.8
72.04510	1.4
73.02914	98.5
79.05501	1.0
81.03399	7.7
85.02903	100.0
87.04475	5.6
91.03949	4.6
97.02887	67.1
99.04487	5.3
101.02349	1.8
103.03952	4.1
103.05458	1.2
105.07027	16.2
109.02863	10.8
109.06538	0.8
114.05564	1.6
115.03925	42.4
119.04789	0.8
124.05209	20.7
127.02955	1.5
127.03907	31.3
132.06587	2.6
133.04958	52.8
133.06444	11.8
137.05972	25.3
144.06567	3.0
145.04956	48.7
149.31671	0.9
150.07619	6.0
156.06551	1.3
162.07671	2.5
163.06010	12.7
165.09106	76.7
169.21819	0.9
175.07503	1.1
177.09180	1.8
180.08633	4.8
181.05083	1.1
187.07542	2.5
189.09079	3.6
193.04909	1.6
199.05995	2.1
201.09096	3.8
215.10756	1.5
217.07092	1.9
223.06003	7.7
231.10286	1.2
241.07047	8.2
243.10194	2.9
259.08118	7.7
261.11172	5.5
276.10892	1.4
277.09204	3.5
294.11646	1.1
295.10123	2.3
358.35144	0.9
411.48666	1.0
483.96289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67726	0.8
53.03926	1.1
55.01869	1.9
57.03436	40.2
57.13467	0.8
60.04527	1.4
61.02637	1.1
61.02923	15.1
61.78694	0.8
65.03920	1.0
65.84912	0.9
66.00208	0.9
69.03425	34.0
69.90179	5.7
71.01350	4.2
73.02914	93.0
79.05481	2.1
81.03417	3.7
81.07003	1.1
83.04972	2.1
85.02902	56.1
87.04453	2.9
91.03957	2.3
91.05479	1.7
93.62154	0.9
95.04959	1.7
95.08601	1.0
96.04488	1.4
97.02889	54.4
99.04440	2.6
103.03914	2.0
103.05441	2.2
105.06369	1.6
105.07030	21.0
107.04939	1.0
109.02863	4.6
109.06480	1.1
111.04368	1.0
115.03925	54.5
122.03607	1.0
126.05552	1.1
127.03915	18.5
132.06573	2.0
133.04967	16.2
133.06479	27.5
137.05972	28.5
144.06577	7.3
145.04958	23.4
145.06232	1.8
145.06461	1.4
150.07637	4.8
151.07538	2.2
152.07852	1.7
162.07573	4.2
163.06018	7.1
165.09108	100.0
175.07423	1.4
177.09117	3.0
180.08693	3.4
189.09065	3.8
191.10532	1.0
193.04910	1.2
193.08647	1.1
201.09021	1.6
219.10353	1.0
223.05969	4.8
241.07088	6.9
259.08145	3.8
261.11176	2.3
294.11871	2.0
295.10400	2.2
312.12872	1.6
315.08606	1.6
476.21304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01867	3.0
57.03433	44.5
59.04992	1.4
60.04528	1.7
61.02921	15.5
69.03424	38.3
70.13051	2.9
71.01351	4.3
71.01682	0.7
71.04985	0.8
73.02912	100.0
79.05492	1.0
81.03413	5.5
83.01322	0.8
85.02898	63.0
87.04459	3.8
91.03967	3.4
96.04494	1.4
97.02885	67.4
98.06070	1.0
99.04457	2.9
101.02357	1.2
105.07025	12.8
109.02868	6.4
115.03920	68.8
121.91707	0.7
124.05190	21.3
126.05537	1.1
127.03906	25.6
132.06577	1.8
133.04956	25.8
133.06461	8.9
137.05966	21.6
144.06561	7.0
145.04951	31.6
149.85818	0.7
150.07608	6.5
162.07625	4.3
163.06004	10.7
165.09100	91.4
166.09488	1.2
169.04987	1.1
180.08644	7.3
181.05000	1.2
186.23787	0.8
187.07594	1.3
189.09154	3.1
193.04977	2.3
201.09184	2.8
215.10777	1.5
216.00978	0.7
223.05983	7.5
231.10173	2.0
241.07072	8.3
243.10239	1.7
259.08173	5.8
261.11230	4.9
279.12405	1.0
294.11774	3.2
295.10205	3.5
312.13110	1.8
502.66653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3781
Annotation	12beta-Acetoxyergost-5-ene-3beta,23-diol
Peak:m/z	Relative Intensity
53.03944	4.6
55.05499	15.3
57.03434	16.7
57.07072	39.9
61.02927	40.4
67.05502	26.1
68.07101	3.0
69.03424	17.8
69.07069	24.0
71.01318	4.3
71.04978	3.5
71.08628	31.6
73.02917	15.8
79.05465	12.0
81.03415	9.5
81.07053	60.5
83.04984	2.8
83.08615	24.4
85.02901	39.0
85.10177	16.1
87.04454	3.2
91.03951	27.0
91.05449	11.2
93.07041	31.9
95.04938	3.9
95.08603	100.0
97.02884	38.4
97.06491	5.7
97.10146	15.1
99.04442	11.2
101.02372	6.1
102.97800	2.7
103.03936	5.6
105.07016	22.8
107.08591	66.9
109.02851	9.1
109.06527	3.7
109.10146	61.2
111.04443	2.9
111.08066	5.3
113.09660	2.7
115.03943	4.0
115.05500	2.7
119.08571	47.5
121.06431	2.9
121.10142	70.5
123.08026	8.0
123.11709	37.6
125.09635	6.5
127.03903	15.8
131.08537	8.7
133.10121	44.7
135.11681	62.0
137.13269	15.2
145.04947	4.8
145.10092	18.6
147.11668	34.9
149.09633	4.5
149.13229	27.2
151.11169	3.4
151.14774	3.4
153.09076	11.7
156.09323	2.9
157.09979	3.1
159.11618	18.6
161.09596	3.3
161.13274	24.7
163.14809	30.6
165.09096	3.0
167.10620	5.2
171.11656	4.9
173.13245	18.6
175.11255	2.8
175.14771	19.7
177.12802	5.0
177.16399	13.8
179.14311	4.3
181.15865	3.2
183.06464	5.7
187.14816	16.2
189.16367	54.5
191.14305	3.2
191.17938	63.0
193.12178	4.6
194.57005	2.6
199.14816	5.6
201.07571	6.8
201.16322	10.1
203.17923	40.4
205.15921	3.3
207.14143	2.7
207.17430	15.1
209.15329	3.2
213.16331	6.9
215.17876	6.3
217.15942	6.8
217.19510	20.9
227.17889	3.1
229.19493	5.9
231.17439	16.1
231.21051	5.6
235.16936	14.7
239.23691	21.8
249.18494	30.8
257.24829	3.3
313.27359	84.5
325.28882	11.5
397.34891	7.9
411.36493	13.8
415.35718	54.3
421.34332	8.0
429.33609	4.2
439.35797	46.8
457.36896	90.4
475.32394	35.5
475.38080	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05511	12.3
57.03435	18.0
57.06822	2.5
57.07076	38.5
59.04993	2.0
61.02640	2.8
61.02928	42.1
67.05223	1.8
67.05507	23.9
69.03122	1.7
69.03432	17.6
69.07067	19.6
71.01345	2.8
71.04989	4.4
71.08632	27.6
73.02914	21.2
75.04458	1.7
79.05511	8.1
81.03419	14.9
81.06583	2.5
81.07057	43.0
83.04978	2.8
83.08611	21.6
85.02416	3.2
85.02902	51.1
85.10184	12.9
87.04438	2.3
91.03958	28.4
91.05463	6.5
92.27883	1.6
93.07043	24.3
95.08605	64.9
97.02893	35.5
97.06512	2.5
97.10172	10.4
99.04450	9.1
99.11748	1.8
101.02368	6.5
103.03924	7.7
105.07034	14.7
107.08590	40.1
109.02876	8.8
109.06519	1.7
109.10152	42.7
111.08078	2.9
111.11719	4.5
115.03941	2.8
117.05487	3.9
117.07014	1.8
119.08581	32.7
121.10140	40.6
123.08022	3.4
123.11703	24.7
127.03915	18.5
129.05458	3.6
131.08566	3.7
133.10127	28.2
135.11690	39.2
137.13266	8.6
139.07509	1.9
139.14703	1.7
145.04944	6.1
145.10104	7.7
147.06526	2.2
147.08000	1.8
147.11682	20.7
149.09645	2.3
149.13257	16.0
151.14769	2.8
153.09105	6.4
157.10072	2.7
159.06525	2.0
159.11693	12.0
161.13286	14.3
163.11095	2.0
163.14822	16.0
165.09148	1.9
171.11757	1.9
173.13261	9.1
175.11159	2.5
175.14809	11.4
177.16417	6.9
179.14320	3.6
183.06477	6.4
185.13232	4.1
187.14882	8.9
189.12755	2.3
189.16386	30.6
191.17947	32.5
193.12192	2.7
195.13843	2.5
201.07545	4.1
201.16357	5.1
203.14488	2.0
203.17958	26.8
205.15894	3.3
205.19522	3.9
207.17549	8.4
209.15230	2.1
213.16414	2.3
215.17932	5.4
217.15944	4.2
217.19540	8.0
219.17409	3.3
221.15366	2.8
231.17470	10.4
231.21016	3.9
235.16962	9.4
239.23683	27.1
247.17006	2.4
249.18466	17.3
257.24799	4.4
262.59592	2.1
281.21201	1.7
313.27362	100.0
314.27658	1.9
325.28946	6.1
341.27063	4.3
343.29907	2.5
355.28400	3.7
397.34863	4.1
411.36313	6.1
415.35782	30.9
421.34991	8.3
439.35886	27.3
457.31415	6.3
457.36990	49.8
475.32452	30.3
475.38126	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	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
54.89602	1.1
55.01866	2.3
55.05503	6.0
57.03433	16.9
57.07071	40.6
57.47638	1.0
61.02922	46.6
61.19159	0.9
67.05499	14.3
69.03421	21.1
69.07065	10.4
71.01360	3.3
71.05016	2.7
71.08626	26.2
71.08997	1.9
73.02911	20.8
75.04485	1.5
79.05486	2.8
81.03411	16.2
81.07047	22.2
81.07503	1.2
83.04999	2.1
83.08610	13.0
84.08313	0.9
85.02898	42.6
85.10173	16.9
87.04477	2.4
89.05983	1.2
90.35502	1.0
91.03951	30.9
91.04517	1.9
91.05491	1.6
93.07058	4.2
95.08600	28.3
96.08964	1.1
97.02886	41.1
97.10152	7.9
99.04438	9.5
101.02370	8.8
103.03965	6.2
105.07064	2.2
107.08598	3.6
109.02865	11.2
109.03497	1.2
109.10151	15.3
111.04468	1.3
111.11787	2.0
115.03905	4.7
117.05491	2.7
119.08601	3.8
121.10165	3.7
123.08127	1.9
123.11699	7.4
125.13285	1.6
127.03902	20.4
127.14890	1.1
129.05527	3.8
131.08571	2.4
133.10184	3.7
135.11752	1.7
137.13226	4.9
145.04941	7.4
145.10196	2.3
147.11697	2.9
149.13356	1.4
151.14885	1.3
155.47520	1.0
159.06509	1.8
159.11702	1.6
161.13312	1.8
175.14938	1.1
183.06482	4.9
189.16409	2.6
201.07697	3.9
207.17561	2.1
221.22792	1.5
239.23668	29.7
257.24838	3.4
298.27405	2.2
313.27335	100.0
341.27078	3.2
355.28552	2.6
383.27997	1.7
388.80035	1.1
397.29636	1.5
410.87589	1.0
439.30862	2.0
457.31583	9.8
475.32559	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	474.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05508	4.7
57.03436	10.8
57.07066	5.9
59.04984	0.8
61.02924	3.1
62.15983	0.3
67.72408	0.3
69.03075	0.5
69.03426	8.2
70.05248	0.8
70.05662	0.8
70.06594	0.6
71.01336	0.8
71.04978	0.3
73.02914	21.9
81.03398	1.0
83.08627	2.0
84.08173	0.3
85.02899	12.2
86.09673	0.5
86.89434	0.3
87.04452	0.6
89.06025	18.9
91.03930	0.5
95.08588	0.4
97.02883	13.0
99.04456	0.6
101.09651	8.9
107.07059	20.2
109.02879	1.0
115.03923	9.8
119.08539	0.3
123.08065	0.4
127.03918	3.7
129.34099	0.3
130.08575	0.4
133.04958	2.8
145.04947	2.4
163.05998	0.8
163.13280	100.0
164.13644	1.1
182.95903	0.3
186.62476	0.4
193.04942	0.4
194.17328	0.4
222.60045	0.3
223.05997	0.8
241.07045	1.3
259.08157	1.1
435.33432	0.3
474.24286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01876	5.5
55.05494	4.0
57.03438	6.2
57.07072	1.9
59.05017	1.4
61.02917	4.1
63.31984	1.3
65.03934	1.0
67.05496	5.5
68.99768	1.9
69.03431	21.9
69.07055	4.6
69.41112	11.8
70.06590	8.6
71.04990	21.4
73.02923	5.8
74.06076	1.3
79.05477	3.9
81.03419	19.3
81.07052	11.2
83.04974	1.7
83.08606	5.4
85.02902	39.9
85.06562	8.4
86.09693	1.6
87.00827	15.5
87.04457	1.3
91.05470	4.8
93.07049	10.3
95.04977	8.3
95.08598	10.6
96.91122	1.1
97.02891	13.2
97.06508	8.8
98.97630	2.6
99.04456	74.2
99.08093	2.4
105.01864	11.3
105.07022	12.2
107.08591	19.1
109.02881	14.5
109.06522	21.1
109.10142	10.8
111.04398	2.0
111.08095	1.7
112.89355	1.1
113.09631	4.6
115.03912	2.9
115.07565	4.4
117.01820	1.6
119.04928	2.0
119.08567	8.1
120.08131	2.6
121.02869	3.8
121.06466	1.4
121.10143	16.2
122.03629	1.4
123.08074	12.6
123.11717	7.9
125.05949	1.8
125.09639	5.4
127.03913	25.0
127.08638	1.4
129.01805	2.3
131.08554	7.2
133.04964	1.2
133.10129	33.7
135.08060	5.0
135.11703	3.1
137.05975	8.0
137.09631	2.4
139.11174	4.0
141.12827	1.2
143.08536	1.5
145.04973	6.9
145.10098	3.8
146.18976	1.1
147.11688	14.7
149.09616	1.4
149.13255	9.9
151.03891	1.9
151.07538	3.9
151.11183	9.6
153.09085	6.8
155.08296	1.3
159.02875	5.3
159.08043	1.3
160.38698	1.3
161.05991	3.3
163.05997	1.2
163.07536	3.2
163.14842	4.5
165.12740	4.5
166.08714	1.5
167.10666	2.3
167.14305	1.5
169.12268	12.2
171.10182	1.3
173.13274	15.8
175.07555	1.8
177.00677	1.3
181.12173	1.4
183.13792	14.6
187.07515	1.1
191.14294	23.0
192.14687	3.2
192.57056	1.1
209.08128	2.7
209.15352	51.7
209.42902	1.2
227.16414	100.0
229.15544	2.5
231.05022	4.4
249.40250	1.1
251.16335	1.7
271.06030	7.8
309.11224	1.7
311.12680	1.4
313.06903	5.7
343.15356	1.4
351.15802	1.7
355.15417	1.6
387.15686	1.7
415.20123	3.5
416.16028	1.7
433.21219	1.8
456.46152	1.3
457.20169	1.3
475.22125	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.01857	2.1
55.05501	2.9
57.07070	1.3
61.02937	1.4
63.51097	1.1
67.05495	5.8
69.03429	5.9
69.07070	8.2
70.94616	3.7
71.04992	14.2
72.65340	1.2
73.02911	1.9
79.05486	5.4
81.03404	4.1
81.07054	8.5
83.04961	1.8
83.08616	3.3
84.04523	1.5
85.02895	10.7
85.06540	7.7
86.03217	1.1
87.00838	3.2
91.05464	8.6
93.07037	13.6
94.07377	1.5
95.04971	3.1
95.08019	1.7
95.08602	13.2
97.02866	5.9
97.06533	15.2
105.01840	7.0
105.07027	14.0
107.02254	1.4
107.04870	1.4
107.08587	18.6
109.02856	3.4
109.06521	4.7
109.10137	5.8
111.08086	5.3
111.11726	1.3
116.98480	1.3
117.06981	1.7
119.08562	8.5
121.10138	32.3
123.08066	5.0
125.52317	1.2
127.03878	7.9
128.04187	1.5
129.12727	2.3
131.04941	1.6
131.08549	8.0
133.10124	81.9
134.10458	2.0
135.08041	15.7
137.05986	4.8
137.09656	1.2
143.08542	2.3
145.04962	2.3
145.10083	4.6
147.11682	15.5
149.02310	6.2
149.05952	1.2
149.09621	2.4
149.13242	17.4
151.07497	3.6
158.10895	2.7
159.02972	1.3
161.05942	1.2
163.14827	1.5
165.09135	3.6
166.09468	1.6
167.03482	2.4
173.13251	21.1
175.07581	1.4
189.09210	1.5
191.14297	100.0
209.15331	2.6
213.03900	1.9
231.04976	1.7
249.06079	1.4
283.06006	5.0
311.09042	3.0
353.10068	7.3
474.31470	2.0
475.17844	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05499	6.8
57.07065	5.0
67.05505	17.1
69.07067	14.8
69.61389	4.0
69.61799	14.2
79.05498	13.3
81.07058	27.0
83.08608	8.7
88.41961	2.0
91.05462	9.4
93.07050	20.9
95.04923	2.8
95.08044	4.2
95.08604	59.6
97.06527	3.5
97.10182	4.6
97.67276	2.0
98.20795	3.4
99.08048	2.7
105.07028	17.6
107.08595	41.3
108.26685	2.2
109.06482	3.7
109.10157	30.8
111.08105	2.5
117.07063	3.3
119.08581	35.7
121.06533	6.0
121.10146	34.3
123.08051	15.0
123.11727	15.7
131.08531	6.9
133.10135	31.3
135.08054	6.5
135.11697	22.6
137.09599	2.9
137.13254	6.4
139.07594	2.3
143.08580	2.4
145.10109	18.3
147.07980	2.8
147.11682	21.9
149.09607	4.6
149.13237	10.8
153.09088	2.5
156.98381	2.4
157.10034	3.4
159.08083	2.5
159.11670	16.2
161.09570	2.3
161.13234	18.2
163.11183	15.1
163.14783	9.7
165.09125	3.5
167.10782	2.8
171.11699	3.9
173.13258	9.6
175.14851	14.5
177.11171	2.3
177.12706	2.9
177.16376	20.4
179.14326	6.1
185.13203	5.5
187.14832	23.2
189.12679	3.2
189.16389	47.2
191.17937	6.7
199.14870	3.5
201.16400	9.9
203.14224	3.0
203.17923	24.1
205.15872	100.0
205.17828	4.9
205.19579	7.2
207.13762	3.0
207.17447	19.2
213.16290	2.7
215.17917	8.7
217.15817	3.2
219.17668	2.2
221.15405	3.8
229.19557	2.7
233.15259	4.4
247.16957	4.4
249.18439	12.0
275.20233	2.6
285.09995	3.9
285.26129	2.3
305.21115	2.3
313.25049	5.2
337.38367	2.3
346.75684	2.7
391.33594	3.4
409.34705	31.7
419.33127	3.5
427.35855	22.5
437.34592	21.4
455.35596	50.4
473.35861	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	473.3623
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
50.34087	0.9
53.03917	1.1
55.05503	3.7
55.63306	0.9
57.07065	1.8
65.50288	0.8
67.05502	5.7
69.03430	1.0
69.07063	10.3
70.87711	2.4
70.88077	0.9
71.04967	1.4
79.05462	4.0
81.07047	13.1
83.04969	1.8
83.08619	3.5
87.04510	0.8
91.05462	4.2
93.07043	9.0
95.08604	27.1
97.10194	2.6
105.07027	12.0
107.08581	14.3
109.06488	1.5
109.10152	15.2
111.08085	2.3
111.11719	1.6
117.07063	1.1
119.08579	11.3
121.06522	3.3
121.10126	10.3
123.08077	2.7
123.11702	7.3
125.09641	1.1
131.08574	5.3
133.06520	2.6
133.10117	10.4
134.98207	2.1
135.08031	5.7
135.11688	9.4
137.09637	1.1
137.13289	3.0
139.07549	2.8
143.08559	3.3
144.09354	1.0
145.10106	14.4
147.08064	3.3
147.11693	4.4
149.05980	5.8
149.09622	2.0
149.13254	4.9
156.09312	1.3
157.10107	4.2
159.08099	2.0
159.11682	8.3
161.09612	5.8
161.13255	6.8
163.07553	3.1
163.11183	5.2
163.14883	2.4
165.09143	0.9
165.12872	1.1
169.10199	1.5
170.10939	2.1
171.11729	3.7
173.09689	2.2
173.13287	2.9
174.10431	0.9
175.11145	4.7
175.14871	3.7
177.09149	3.6
177.12758	1.4
177.16351	1.3
179.10649	1.0
183.11821	1.0
184.12444	1.4
185.13268	8.0
187.11232	2.3
187.14729	4.0
189.09160	2.4
189.12698	9.0
189.16397	1.7
191.14183	0.9
191.17943	2.7
195.11710	1.0
197.13361	1.4
199.14746	2.1
201.12811	1.3
201.16389	2.1
203.14334	8.5
203.17976	1.6
205.15868	1.0
205.19557	3.1
213.12802	5.1
213.16399	0.9
214.17056	0.8
215.14420	1.7
215.17928	1.0
217.15923	2.3
219.17464	2.2
227.14409	1.9
231.13760	15.4
233.15349	1.5
235.16934	0.9
239.17943	1.0
245.15414	2.0
249.14847	63.0
250.15314	1.6
261.22134	1.0
267.15958	2.5
369.31552	3.0
409.34686	1.5
419.32990	2.6
437.34064	16.1
455.35181	100.0
456.35464	2.5
473.36282	51.1
474.30524	0.9
474.36740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87368	1.6
53.03939	4.3
55.01862	3.9
55.05510	20.4
57.03435	2.7
57.07067	11.6
65.03933	2.2
65.97295	1.5
67.05164	2.4
67.05501	35.5
69.03424	9.2
69.07066	50.2
70.06481	8.0
71.05016	2.5
71.08612	5.6
73.02914	2.6
79.05460	13.0
81.03427	6.8
81.07051	88.9
83.04968	2.9
83.08613	32.0
85.02898	23.8
85.06551	11.7
87.00816	1.6
91.05460	10.0
93.07040	22.5
95.04961	6.1
95.08600	100.0
96.08929	2.4
97.02881	5.6
97.06529	3.3
97.10167	19.8
99.08089	6.6
105.07025	10.7
106.63851	1.5
107.04955	3.4
107.08582	21.8
109.02883	5.7
109.06504	3.7
109.10151	63.5
111.04425	2.3
111.08076	8.2
111.11697	17.6
111.12347	2.0
117.07020	4.4
119.08555	13.1
121.06507	2.4
121.10128	15.8
123.08073	3.6
123.11696	33.5
125.09686	1.6
125.13252	6.5
127.03909	6.0
127.11167	2.6
129.06960	3.1
129.12701	2.3
131.08548	5.1
133.10129	10.1
135.08086	3.1
135.11679	14.0
137.09616	4.0
137.13245	14.6
139.07591	1.5
139.14841	1.8
143.08545	3.7
143.14314	4.1
145.04961	4.4
145.10115	8.1
147.08096	2.4
147.11673	6.2
149.02333	18.1
149.03433	2.6
149.09631	2.2
149.13245	21.6
151.14807	20.3
153.09044	1.8
157.10127	3.1
157.15886	2.7
159.08017	3.3
159.11726	6.0
161.13303	3.0
163.14801	13.2
165.09100	8.3
165.16310	9.2
169.10048	2.2
173.13313	4.8
175.14813	3.6
177.16350	5.5
179.17961	5.2
183.11678	2.5
185.13203	1.8
187.14851	2.7
189.09116	2.0
191.17964	2.3
193.04991	5.5
199.14716	1.7
205.19464	3.7
219.21194	3.9
225.18298	1.8
249.25769	2.9
250.08611	3.5
267.26843	4.9
275.27267	12.5
291.26645	2.5
293.25204	3.3
293.28345	21.1
305.28427	2.5
311.29422	16.3
317.28183	3.0
321.27643	1.9
333.27466	2.2
335.29251	2.4
356.03928	2.2
359.29288	1.8
377.30676	2.2
383.29300	3.8
401.30453	8.8
419.31534	7.2
429.11713	2.3
437.32581	3.5
447.82004	2.1
473.14465	8.2
473.23364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01849	3.3
55.05508	20.9
56.45102	1.3
57.03421	3.5
57.07078	12.7
61.02920	1.6
63.78113	1.3
65.03925	1.7
67.05501	36.1
69.03413	8.5
69.07065	51.0
69.38303	14.4
71.04980	3.4
71.08639	6.9
73.02912	1.5
79.05482	14.1
81.03396	4.8
81.07053	84.4
83.04982	2.6
83.08615	28.7
85.02908	21.0
85.06552	7.5
85.10180	3.8
85.87664	1.4
91.05473	8.3
93.07040	20.4
95.04959	6.0
95.08602	100.0
97.02875	5.7
97.06506	2.5
97.10166	22.1
99.04462	1.7
99.08076	8.3
100.11237	1.9
105.07028	7.6
107.08585	17.6
109.02882	3.0
109.06477	3.0
109.10152	61.1
111.04438	2.8
111.08065	5.9
111.11043	1.3
111.11727	18.5
112.69395	1.5
113.09671	1.8
117.06990	2.0
119.08588	7.9
121.06474	1.6
121.10128	16.0
123.08057	2.8
123.11705	31.5
125.06040	1.7
125.09623	4.1
125.13269	10.3
127.03931	6.0
127.11282	1.9
129.06900	1.7
131.04866	1.3
131.08566	4.8
133.06473	2.5
133.10143	5.1
135.08034	2.9
135.11670	10.9
137.05994	2.9
137.09607	3.3
137.12291	2.5
137.13257	26.6
139.11185	3.9
139.14841	3.1
143.08601	1.7
145.04959	3.9
145.06514	2.0
145.10120	5.1
147.07991	2.3
147.11703	4.8
149.09621	4.0
149.13278	15.0
151.07585	2.3
151.11002	1.4
151.14793	11.5
153.12811	1.8
155.14343	1.6
157.10078	1.8
159.11693	4.3
163.14815	5.1
165.09109	23.4
165.12724	1.6
165.16396	4.9
167.07057	2.3
167.14297	3.0
171.11621	2.7
173.13258	2.2
175.14799	3.4
177.16432	4.1
179.17899	5.5
189.16481	2.0
191.10611	2.0
191.17914	3.7
193.19568	2.4
205.12180	3.4
205.19565	2.9
207.13745	1.6
207.17383	1.8
207.21005	1.8
219.21031	2.2
231.17245	1.7
263.27335	12.8
275.27313	10.0
281.28329	13.8
293.21133	2.0
293.25293	0.9
293.28357	27.8
311.29584	3.3
383.29385	3.4
401.30457	3.6
419.31418	3.9
437.32620	1.9
458.54697	1.5
470.28595	1.6
473.18335	1.9
473.24692	10.3
473.35471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79282	1.9
53.03942	1.9
55.01872	2.0
55.05505	25.4
57.03423	3.3
57.07067	14.8
60.74661	1.8
61.02888	3.0
65.03906	2.7
67.05496	33.3
69.03432	9.5
69.07062	54.3
69.32937	13.0
69.33367	7.1
71.04983	2.4
71.08617	7.0
79.05479	12.8
81.03395	3.9
81.07047	93.6
83.04976	2.5
83.08614	34.0
85.02900	27.2
85.03381	3.4
85.06540	10.0
85.10198	3.2
87.04439	1.8
91.05484	7.6
93.07038	28.0
95.04961	4.9
95.08595	83.5
96.23197	1.9
97.02888	8.1
97.06513	2.4
97.10161	21.3
99.08103	5.4
105.06999	10.2
107.04940	3.6
107.08581	25.4
109.02885	6.1
109.06503	4.3
109.10145	56.5
111.04443	1.6
111.08096	5.5
111.11714	18.9
117.06984	2.5
119.08559	11.6
121.10126	17.4
123.08125	3.3
123.11690	38.0
125.09594	4.9
125.13275	9.0
127.03925	6.6
129.06970	3.0
131.08568	5.2
133.10120	9.6
135.11668	14.5
137.05956	3.4
137.09659	4.4
137.13263	15.2
139.14896	2.3
145.04967	5.6
145.10121	3.6
147.08075	2.0
147.11717	6.3
149.09633	4.9
149.13254	35.0
150.03947	2.0
151.07504	2.1
151.14816	4.7
153.12729	4.4
157.10110	3.3
159.11655	4.3
161.09627	2.6
161.13268	2.9
163.06017	3.3
163.07430	1.8
163.11122	2.7
163.14813	11.4
165.09094	23.9
165.16360	5.6
167.07040	5.9
167.14316	6.5
171.11621	3.5
173.09624	2.2
173.13295	4.8
175.11214	2.8
175.14876	4.6
177.16383	4.6
179.17972	6.0
189.16394	3.1
191.17908	4.1
193.19534	4.8
203.10715	2.3
205.12215	2.4
205.19493	2.8
207.17432	3.7
219.21106	3.3
225.18512	2.6
247.24266	2.0
249.25841	6.5
251.86375	1.8
275.27246	14.7
293.28323	26.8
296.87650	1.8
301.67703	1.8
329.10233	2.5
329.24316	2.1
399.14456	3.1
401.30811	2.2
402.13501	2.0
419.31891	3.2
455.16873	2.8
455.35117	1.8
473.23587	100.0
473.30511	4.2
474.23856	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	473.326
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
55.01846	5.6
55.05508	15.6
57.02607	4.0
57.03437	9.0
57.07069	11.6
57.23989	4.7
67.05486	25.8
68.55552	4.1
69.03411	4.8
69.07063	31.8
70.78502	8.7
70.78837	9.8
78.64154	3.6
79.05479	17.1
81.07052	53.4
83.08614	14.9
85.06551	6.7
89.08701	4.0
91.05489	20.2
92.84381	4.5
93.07041	35.0
95.04970	7.6
95.08591	100.0
95.09156	7.7
97.06518	7.1
97.10160	8.3
98.97879	4.4
98.98478	17.1
105.07034	31.9
107.08577	66.2
109.06499	11.8
109.10138	44.4
111.08090	12.6
111.11716	10.3
119.04943	4.5
119.08580	35.2
121.06467	8.6
121.10134	61.7
123.08052	16.8
123.11703	31.2
131.08575	13.6
133.06589	4.8
133.10107	32.2
135.08096	5.9
135.11652	32.2
137.00018	9.7
137.05937	4.3
137.09608	9.7
137.13281	25.6
139.07553	9.4
143.08615	4.9
145.10153	12.9
147.08101	6.2
147.11681	45.9
148.08699	4.3
149.09627	7.4
149.13274	19.9
151.07552	5.0
151.11171	7.2
155.01068	17.8
157.10181	9.1
159.11700	17.5
161.09607	11.6
161.13232	32.6
163.11166	5.5
163.14786	9.4
165.09100	4.8
165.12753	5.2
171.11702	8.2
173.13284	12.0
175.11195	19.1
175.14764	10.4
177.12752	9.2
177.16399	6.9
179.14331	13.0
181.26460	4.0
185.13301	7.7
187.11165	8.4
187.14848	15.9
189.12721	9.7
189.16345	20.9
190.96312	5.3
191.17949	17.9
193.12231	16.8
199.14894	6.8
201.12679	5.1
201.16348	11.1
203.10709	8.9
203.14372	6.0
203.18065	6.7
205.15945	7.5
207.13820	6.5
207.17467	16.8
211.03639	6.4
211.14867	5.1
214.53644	4.4
215.14291	5.1
219.17526	4.6
219.21130	10.6
221.11778	13.2
221.15263	5.3
229.15871	7.6
233.15367	7.6
247.16978	14.8
249.11194	6.5
249.18506	15.0
289.21585	10.2
322.26498	6.1
337.27417	11.1
357.27982	4.4
371.33173	8.5
381.31549	25.9
399.32419	41.4
409.22571	4.9
409.30823	21.3
427.31927	59.0
437.30478	16.8
445.32889	16.7
455.31073	55.0
473.20615	7.5
473.26526	19.6
473.32733	78.9
474.33029	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1996
Annotation	Met Trp His
Peak:m/z	Relative Intensity
55.05467	0.4
62.48212	0.3
67.05471	0.3
68.58427	0.3
69.03413	0.7
70.54561	0.9
77.35608	0.3
81.03420	0.6
83.04945	0.4
85.02891	1.1
91.05440	0.4
93.07071	0.6
93.90001	0.3
95.08586	0.9
97.02891	0.3
98.97567	0.5
100.32834	0.3
103.08605	0.3
105.01843	0.5
105.07021	0.9
107.08559	0.7
109.06465	0.4
113.68735	0.3
119.08549	0.7
121.10147	0.7
127.03870	0.5
129.19313	0.3
131.08600	0.5
137.09564	0.5
145.04865	0.3
145.10173	0.5
147.07957	0.4
147.11659	0.3
149.09563	0.6
159.02783	0.4
161.02980	0.4
161.13208	0.7
163.11186	0.8
167.28531	0.3
185.04135	0.3
189.12772	1.6
203.05238	3.8
207.13831	2.9
225.14784	1.1
237.02824	0.3
249.14606	3.4
251.12561	0.3
269.12323	1.1
289.61035	0.4
293.12979	1.4
311.14651	18.0
359.13708	1.1
411.19852	0.8
413.17532	0.7
473.19803	100.0
474.20032	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01860	5.4
55.05265	2.1
55.05510	35.1
56.05853	2.3
57.03434	21.4
57.07068	16.7
61.02924	52.6
67.05508	12.0
68.89542	1.7
69.03423	25.5
69.07066	45.8
69.40588	4.9
69.40992	14.9
71.01338	5.1
71.04983	6.1
71.08628	14.4
73.02913	23.0
75.04484	2.6
79.05495	7.3
81.03404	16.2
81.07050	20.1
83.04981	4.1
83.08612	40.9
85.02420	3.4
85.02904	54.6
85.06583	2.0
85.10174	3.5
87.04482	4.2
91.03952	36.3
91.05468	3.4
92.39719	1.8
93.07030	13.0
94.95405	1.9
95.04964	3.2
95.08603	21.4
97.02895	45.7
97.06519	4.4
97.10165	36.9
99.04462	10.6
101.02367	12.9
103.03915	6.4
105.07031	6.9
107.08593	15.1
109.02858	10.4
109.06564	3.2
109.10139	10.9
109.14437	2.3
111.04415	2.5
111.08074	3.7
111.11726	12.1
115.03902	4.8
119.08551	10.1
119.51120	1.9
121.10146	22.4
123.08025	2.3
123.11730	10.1
125.13301	3.6
127.03905	20.3
129.05481	5.1
131.08537	3.7
133.10120	8.3
135.08032	2.5
135.11682	13.5
137.09651	2.0
137.13252	3.6
139.11124	1.8
141.05334	1.9
145.04951	10.0
145.10107	5.4
147.11693	5.9
149.09636	2.6
149.13274	2.5
157.10176	3.0
159.11624	4.4
161.13275	2.7
163.14825	3.4
171.11734	2.7
173.13263	2.7
175.11176	2.2
175.14845	2.2
177.16389	5.2
183.06470	3.6
187.14841	2.7
189.16373	5.0
201.07565	5.6
201.16422	2.2
203.14359	2.4
203.17909	2.4
205.15848	3.0
217.15982	2.8
219.21072	4.8
235.16324	2.1
237.22128	21.5
255.23160	2.1
263.71661	2.0
267.09030	2.6
311.25784	100.0
312.26031	2.6
315.61038	2.9
324.11453	3.4
324.61435	2.4
339.25336	5.2
407.61923	1.9
419.33029	2.2
425.34274	2.4
437.28964	2.7
437.34290	3.0
455.29984	9.1
455.36005	4.2
473.19437	5.3
473.30884	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	473.1288
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.87444	0.1
55.01862	0.2
57.03433	1.1
60.04506	0.1
61.02908	0.5
68.99757	0.6
69.03412	0.4
69.77280	0.7
70.06588	0.3
71.01289	0.1
73.02908	2.8
81.03378	0.1
81.07042	0.2
83.26447	0.1
85.02903	0.7
91.05426	0.2
97.02882	0.6
109.02885	0.2
111.04416	0.4
115.03907	0.6
124.07570	0.1
127.03905	0.4
133.05002	0.1
137.02295	0.3
145.04927	0.1
153.05420	0.2
155.03371	0.4
179.03372	100.0
180.03691	0.9
221.04555	0.2
237.02788	0.1
258.09436	0.1
341.08649	6.4
367.53500	0.1
473.15814	0.3
473.22131	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	8.7
58.06579	3.9
67.60591	3.0
69.03416	10.6
70.82784	3.5
70.83115	6.4
73.02911	20.6
81.03407	4.2
85.02886	15.8
97.02882	9.5
100.17295	2.5
105.07013	4.0
107.04951	100.0
107.08576	2.8
115.03928	6.3
123.08030	5.6
124.86873	2.6
125.65436	2.7
127.03927	6.3
133.06453	14.0
134.06799	4.9
135.08051	70.6
145.04970	3.4
161.09615	23.4
176.09277	6.2
176.10706	11.4
177.11057	4.4
178.08754	4.5
178.11041	3.5
178.12288	30.6
340.17496	48.6
472.21741	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
56.32196	0.3
56.96539	0.3
57.03432	1.7
61.02905	0.6
63.68836	0.2
67.05485	0.3
69.03421	1.6
70.06585	0.4
71.59978	0.2
71.60352	0.3
72.08182	0.3
73.02911	3.6
81.03391	0.4
84.08106	0.3
85.02895	2.4
86.09648	0.2
89.03886	0.4
90.55151	0.2
91.05458	0.3
97.02876	1.8
107.04933	0.4
110.06055	0.3
111.04445	0.3
115.03910	1.6
119.08537	0.3
122.06041	0.3
123.04410	5.5
124.07549	0.5
127.03905	0.8
133.02846	5.1
133.04939	0.4
134.99699	0.3
135.04408	1.0
137.05931	0.5
145.04976	0.5
150.35806	0.3
151.03906	3.1
159.09119	0.3
163.03963	0.3
167.07047	0.4
177.00780	0.3
179.03381	100.0
180.03700	1.1
237.02708	0.3
249.34937	0.3
293.15112	0.4
311.16046	0.8
330.98129	0.2
341.08682	10.1
395.49686	0.2
450.97720	0.3
473.21573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.9
57.03410	7.1
66.69573	5.3
69.03436	17.7
69.94662	36.9
69.95074	9.7
71.01389	5.9
73.02924	30.0
81.07037	10.8
85.02888	26.1
95.04945	7.6
97.02904	14.3
99.77676	6.2
107.04944	100.0
109.10108	8.0
115.03925	11.5
119.04894	7.4
123.11708	9.6
127.03878	11.4
129.06699	6.1
133.04935	9.9
133.06490	17.4
135.08031	48.1
156.75778	7.1
161.09602	19.4
176.09193	6.9
176.10718	9.7
178.08578	9.8
178.12315	33.6
215.66971	6.4
225.14961	12.5
271.05811	8.4
277.60324	6.8
340.17517	71.3
472.21863	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05503	4.1
67.05490	4.0
69.07075	9.3
70.69180	4.4
73.20985	1.3
79.05491	5.3
81.07057	16.8
83.08604	3.7
90.63155	1.4
91.05487	3.1
93.07043	7.2
95.08596	22.5
97.06541	2.4
105.07043	6.7
107.08588	13.4
109.06541	3.4
109.10151	10.4
111.08101	2.1
117.07064	2.5
119.08571	12.2
121.06539	2.2
121.10131	11.6
123.08054	4.1
123.11706	6.6
125.05998	3.2
131.08572	3.7
133.10153	7.5
135.08029	3.8
135.11723	5.4
137.09650	2.1
137.13243	2.4
139.07538	2.4
141.06960	1.9
143.08560	1.8
145.10103	10.7
147.11742	5.8
149.09634	3.4
149.13226	1.8
153.09135	3.2
157.10117	5.4
159.08061	1.8
159.11710	6.9
161.09584	3.7
161.13275	3.5
167.10661	2.3
171.11629	3.7
173.09576	2.9
173.13303	3.5
175.11186	4.1
181.12300	1.9
183.11746	2.9
185.13235	2.2
187.11214	5.2
187.14880	4.8
189.16415	3.5
197.13237	2.5
199.14909	2.4
201.16353	1.7
203.14392	2.3
203.18080	2.4
205.15901	2.6
214.64769	1.8
215.14320	7.3
217.15958	4.2
219.17638	2.1
223.16966	3.0
229.15845	51.0
231.17358	2.8
233.15335	9.8
235.17136	1.7
243.17587	2.0
247.16994	9.3
257.19037	2.4
283.20602	4.8
411.32687	2.5
435.32675	8.1
453.33621	44.3
471.34741	100.0
472.35095	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	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64838	0.8
53.03934	7.6
55.01867	10.2
55.05495	2.5
56.96552	0.9
57.03439	5.8
58.57254	0.8
61.02921	6.7
67.05495	2.8
68.99774	3.2
69.03421	31.9
69.07067	1.0
69.61511	5.3
71.01355	1.5
71.04994	6.7
73.02910	8.7
73.38371	0.9
79.05495	2.4
81.03411	31.4
81.07051	3.1
82.03737	0.9
83.01298	1.0
83.04966	1.7
85.02897	92.1
85.06544	3.3
87.00820	37.6
87.04459	1.0
91.03941	2.9
91.05457	1.2
93.07032	2.9
95.04951	2.2
95.08599	3.0
96.08950	1.2
97.02882	59.9
97.06503	1.9
98.21554	1.5
99.04440	15.5
105.01855	61.6
105.03372	21.4
105.07014	2.5
107.08590	1.6
109.02870	36.1
109.06516	1.9
113.51837	0.9
115.03914	1.9
117.01856	3.6
119.08572	1.9
121.06475	1.2
121.10146	2.0
123.04404	4.9
124.07616	1.0
127.03904	100.0
128.04233	1.5
129.01811	3.8
137.05966	2.2
145.04942	59.4
147.02890	2.3
151.07520	1.1
159.02876	26.8
159.11731	0.9
161.13225	1.1
162.67474	0.8
165.09120	3.2
175.07561	1.4
177.03946	2.6
189.03938	2.8
189.09094	6.8
193.08591	1.3
211.09662	2.8
213.03900	6.3
223.17075	2.2
224.16753	4.5
231.01317	1.2
231.04980	28.3
248.07773	1.2
249.06012	9.4
283.71844	1.0
297.09555	1.0
303.13190	1.2
315.10678	3.2
321.58347	0.9
350.82281	0.8
427.11264	1.0
469.49277	1.1
472.22336	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	471.3466
Annotation	Lippiolidolic acid
Peak:m/z	Relative Intensity
51.47662	0.9
55.05508	2.2
57.06684	0.7
57.07063	2.3
67.05492	4.6
69.07062	6.2
69.85094	0.8
71.07196	0.9
71.07549	1.6
79.05482	2.2
80.20863	0.8
80.86107	0.8
81.07050	9.8
83.08643	2.5
86.42860	0.9
91.05476	2.5
93.07036	7.0
95.04993	1.4
95.08606	14.8
97.10214	1.2
105.07035	3.8
107.08590	8.6
109.06475	1.4
109.10139	10.6
111.11713	1.2
119.08582	8.1
119.67562	1.0
121.06495	1.8
121.10149	8.8
123.08096	2.0
123.11698	8.4
125.09610	2.4
131.08553	3.6
133.10110	7.3
135.08020	2.2
135.11684	5.1
137.13269	3.8
143.08566	1.6
145.10104	4.5
147.08038	2.6
147.11693	3.8
149.13280	2.7
151.11212	1.7
155.08571	1.3
157.10094	2.7
159.11688	4.3
161.09630	1.3
161.13272	3.0
163.11171	6.4
163.14842	1.2
165.12784	2.2
171.11749	2.2
173.13307	3.4
175.11172	2.1
175.14850	2.3
177.12799	1.4
177.16440	1.5
185.13254	2.2
187.11267	3.0
187.14804	2.5
189.12729	2.0
189.16386	3.4
191.17923	1.3
197.13226	1.2
199.14780	1.1
201.12788	1.7
201.16368	1.3
203.14255	2.0
213.16415	4.4
215.14381	4.1
215.18051	1.4
217.15857	1.2
219.17377	2.6
227.18018	2.0
231.17392	4.5
241.19614	1.0
243.21103	2.0
245.18933	1.4
245.22580	1.1
255.17542	1.6
255.21103	2.2
257.22638	1.1
259.20636	3.3
273.18262	1.0
311.23724	1.3
311.27234	1.4
327.26855	1.0
339.26825	2.5
341.28482	1.1
347.18829	1.1
351.30447	9.9
353.28491	1.1
368.30728	4.1
369.31500	34.6
370.31766	1.6
383.33209	3.8
393.31631	5.9
407.32852	1.3
411.32550	100.0
412.32944	5.0
425.34207	1.3
435.32654	4.8
453.33539	20.2
454.33896	1.1
471.34732	51.8
472.35046	2.4
498.58203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.99120	0.9
52.53405	0.8
55.05497	2.2
57.07057	1.0
65.38911	1.1
67.05495	3.2
69.07086	4.8
69.35747	2.2
69.36156	8.1
81.07047	6.0
83.04993	1.1
83.08602	2.2
91.05460	1.5
93.07030	4.1
93.39079	1.0
95.04976	2.0
95.08609	11.8
97.10178	1.2
105.07015	3.1
107.04942	1.6
107.08570	7.4
109.10153	7.1
111.08089	1.0
111.11725	1.6
119.08559	5.6
121.06570	1.8
121.10137	7.1
123.08051	1.4
123.11700	4.4
131.08575	2.0
133.10106	6.6
135.08078	3.3
135.11723	5.4
137.09564	1.2
137.13257	4.1
145.10123	3.3
147.08017	2.3
147.11696	3.3
149.09618	2.1
149.13234	1.7
157.10146	1.2
159.08127	1.4
159.11697	3.0
161.09624	3.7
161.13235	4.6
163.11211	3.5
163.14799	1.3
171.11673	2.3
173.13376	2.1
175.11253	1.2
175.14810	2.0
177.12791	2.4
183.11722	1.6
185.13307	1.5
187.11201	1.7
187.14835	1.4
189.12846	1.2
189.16400	1.4
191.17952	2.1
197.11595	1.0
199.14845	1.4
201.16389	1.5
203.14317	2.3
203.18063	1.2
205.15865	1.1
211.15004	1.0
213.12753	2.7
213.16449	1.4
227.17873	2.3
229.15874	1.2
233.15352	1.9
245.19005	2.3
249.14859	1.2
259.20587	2.9
339.26889	2.9
351.26556	1.7
365.32239	1.5
366.29233	2.6
367.29968	1.6
383.33127	18.2
407.33386	2.5
425.34174	13.2
435.32797	6.9
453.33618	100.0
454.33875	4.6
471.34698	57.2
472.35248	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05504	8.5
57.03423	2.2
57.07069	4.0
64.09097	2.2
67.05502	12.4
69.03422	2.9
69.07069	18.6
70.86275	5.1
70.86619	2.2
75.79613	2.2
79.05489	6.0
81.07049	27.3
83.04973	3.4
83.08610	8.2
85.06528	3.0
91.05464	6.3
93.07044	17.7
95.04937	6.2
95.08605	50.2
95.98157	2.1
97.10139	3.6
105.07040	22.2
107.08588	31.7
109.06537	3.6
109.10155	28.7
111.08064	4.5
111.11716	3.2
113.06007	2.5
117.06998	5.3
119.08573	23.0
121.06452	3.9
121.10135	27.1
123.08086	6.3
123.11709	18.6
125.05973	2.8
131.08589	14.5
133.10127	20.5
135.08080	4.1
135.11691	20.5
137.09628	3.8
137.13254	9.7
143.08510	5.8
145.10114	100.0
147.08025	3.2
147.11694	16.9
149.09602	6.2
149.13261	10.4
151.11206	3.0
157.10152	9.8
159.11705	12.0
161.09583	4.3
161.13260	10.7
163.11176	25.5
163.14818	6.4
169.31993	2.5
171.11661	6.6
172.12515	3.1
173.09557	4.0
173.13260	8.4
175.11191	7.0
175.14819	8.4
177.09145	2.2
177.12755	4.4
177.16374	3.7
185.13264	5.5
187.11191	3.2
187.14786	18.6
189.12686	4.2
189.16406	8.6
191.17902	13.7
195.13890	2.5
199.11269	2.4
201.12695	4.1
201.16400	5.4
203.14215	3.2
203.17957	2.7
205.15894	4.6
205.19492	2.8
211.14746	3.0
213.16353	2.4
215.14343	7.3
217.15939	4.9
219.17429	4.6
219.21118	7.8
227.14275	3.2
231.17551	2.9
233.15366	59.6
233.18977	4.3
235.17082	2.4
241.19354	2.3
245.15431	2.8
251.16432	9.1
289.21652	13.3
305.21063	6.8
323.27383	3.3
341.28378	7.7
355.29889	8.0
365.28543	2.9
383.29526	4.4
397.34595	7.4
407.33270	13.2
425.34311	17.0
435.32776	18.4
453.33942	34.9
471.19189	3.0
471.24640	7.6
471.35046	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90504	2.1
53.03926	4.6
55.01859	4.6
55.05504	23.6
57.03429	5.5
57.07077	13.7
61.02898	2.6
65.03953	2.9
67.05169	3.0
67.05502	43.8
69.03426	24.3
69.06716	3.4
69.07062	46.1
69.94687	15.4
71.01347	3.4
71.04971	8.4
71.08620	8.0
72.73911	2.2
73.02903	3.5
79.05489	25.9
81.03403	10.6
81.06579	4.7
81.07051	90.6
83.04954	10.2
83.08612	15.6
85.02424	3.1
85.02898	41.3
85.06535	5.1
85.10155	3.2
87.04467	3.3
91.05466	26.2
93.07038	53.8
95.04963	16.0
95.08599	100.0
97.02881	14.9
97.06503	5.6
97.10150	13.6
98.20753	4.2
99.04459	5.8
105.07027	41.3
107.04935	5.2
107.08578	44.9
109.02851	8.2
109.06503	11.6
109.09444	4.0
109.10150	50.2
111.04458	5.5
111.08070	10.3
111.11710	6.7
113.02344	8.3
115.03873	4.4
115.05453	3.7
115.07591	2.1
117.07001	5.7
119.08573	37.0
121.06497	8.6
121.10140	33.5
123.04448	3.6
123.08041	9.1
123.11707	28.0
125.09568	3.1
127.03925	11.9
127.07551	2.5
129.05447	6.4
129.06984	2.8
131.08563	13.5
133.06512	3.1
133.10124	25.9
135.08034	5.8
135.11676	26.1
137.05952	3.9
137.09569	9.5
137.13222	10.5
139.07533	3.9
139.11140	3.5
143.08575	7.2
145.04910	7.3
145.10152	12.8
147.08006	4.1
147.11668	24.3
149.09599	6.8
149.13266	18.6
151.07523	3.4
151.11116	4.7
151.14795	3.8
155.08466	3.9
155.10641	3.8
156.57582	2.6
157.10106	8.1
159.06572	2.2
159.08047	4.1
159.11681	10.7
161.09584	8.2
161.13274	12.9
163.11224	4.4
163.12500	2.5
163.14864	11.6
164.10980	2.2
165.09085	26.2
165.12741	6.2
165.16432	3.0
169.10115	3.0
171.11674	7.6
173.09572	3.2
173.13242	7.0
175.11241	3.7
175.14798	9.1
177.12668	2.5
177.16426	6.4
181.10063	3.5
182.10747	2.1
183.11533	2.9
187.14763	6.9
189.12726	3.3
189.16393	9.4
191.17995	4.7
193.10257	2.6
197.13239	3.6
201.16309	2.7
203.17946	4.8
205.12157	4.3
213.16391	4.2
215.17920	3.0
217.19499	5.8
229.12186	3.3
241.12128	4.0
273.25745	19.9
291.26721	14.2
297.11099	3.0
309.27835	6.9
315.19501	5.2
315.26767	4.2
387.28915	5.0
399.28891	15.5
417.29898	11.4
435.31088	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	471.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27925	4.0
55.01869	5.4
55.05510	25.5
57.03428	8.0
57.07072	10.7
61.02906	5.4
67.05504	38.7
69.03419	22.2
69.07067	56.1
69.55724	32.4
71.05003	12.7
73.02886	5.7
79.05491	28.3
81.03413	12.7
81.07054	100.0
83.04973	14.0
83.08614	24.7
85.02892	38.8
85.06561	8.2
88.55872	3.9
91.03957	3.9
91.05472	15.9
93.07043	42.5
95.04973	19.3
95.08603	97.6
97.02879	13.0
97.06558	8.2
97.10166	13.8
99.04425	4.9
99.08084	6.2
105.07026	39.0
107.08587	50.5
109.02881	8.5
109.06511	10.9
109.10155	59.5
111.08081	13.7
111.11717	10.8
115.03973	3.8
116.98647	4.0
117.07019	6.4
119.08548	26.4
121.06512	7.7
121.10143	47.8
123.04469	4.0
123.08078	9.0
123.11694	31.8
125.09624	9.1
125.13237	4.1
127.03893	14.5
130.99020	3.4
131.08562	9.4
133.06471	6.1
133.10139	22.1
135.08049	5.7
135.11703	28.5
137.05984	14.9
137.09633	9.0
137.13251	22.3
143.08540	8.8
145.04924	5.8
145.06537	4.5
145.10085	20.2
147.04477	6.1
147.11676	9.7
149.09560	6.8
149.13266	27.1
151.07600	8.0
151.14877	5.5
153.12735	4.9
157.06335	4.2
159.11700	12.0
161.05930	4.3
161.13298	11.6
163.14813	10.0
165.09119	36.5
173.13307	6.5
175.14813	8.2
177.09200	4.2
177.16396	9.6
181.05028	4.5
185.09734	5.4
185.13211	4.8
187.11266	5.3
187.14870	5.5
189.16429	7.2
191.18037	4.8
197.13243	4.5
199.14816	4.9
201.93250	5.5
203.14345	4.8
203.17921	8.9
205.12338	4.9
205.78810	3.7
209.19189	3.8
223.16957	8.7
273.25830	5.5
274.73151	3.9
291.26776	26.9
308.75208	4.8
309.11270	4.0
309.27905	16.6
315.46222	4.3
362.93649	4.2
417.30197	7.2
455.86050	3.8
471.35370	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	471.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01879	6.7
55.05509	27.0
55.22417	2.3
55.22685	2.3
57.03427	8.6
57.07069	12.3
61.02932	3.7
65.03936	4.8
67.05504	44.8
68.25575	2.3
69.03429	20.7
69.07061	47.4
71.01337	3.9
71.04993	6.0
71.08623	8.3
71.24734	5.2
73.02928	2.8
75.77601	2.2
79.05491	31.9
81.03403	16.6
81.06572	5.8
81.07051	100.0
83.04984	7.6
83.08618	24.3
85.02902	47.1
85.06548	3.6
85.10159	3.2
91.05481	26.7
93.07040	56.3
95.04958	17.5
95.08598	96.8
97.02876	12.3
97.06541	7.4
97.10167	12.7
99.04473	3.1
99.08105	3.8
100.11276	3.8
105.07023	40.9
107.04950	5.7
107.08592	55.2
109.02882	6.7
109.06538	8.4
109.10146	53.8
111.04452	7.1
111.08104	12.0
111.11720	6.8
113.02379	14.1
113.09650	3.8
115.05485	4.0
117.07001	5.9
119.04922	3.3
119.08574	39.7
121.06510	7.9
121.10141	42.1
123.08089	12.0
123.11713	26.3
125.09650	3.9
127.03925	10.8
129.05475	6.4
129.06998	7.3
131.04967	2.6
131.08542	18.2
133.10123	33.2
135.08070	7.7
135.11694	29.1
137.05986	7.5
137.09604	12.6
137.13231	10.8
139.07526	5.5
139.11143	3.9
143.08575	9.1
145.04948	5.7
145.10127	19.2
147.08101	5.1
147.11687	26.3
149.09601	9.1
149.13261	20.3
151.11218	8.9
151.14816	6.2
155.08456	4.5
157.10138	12.0
159.08073	4.4
159.11694	13.5
161.09604	6.1
161.13290	15.9
163.11140	5.1
163.14775	13.3
165.09093	34.6
165.12714	5.9
165.16388	4.0
171.11697	7.1
173.13310	8.6
175.07642	2.7
175.11212	6.3
175.14781	6.5
177.12827	3.0
177.16411	6.9
185.13170	3.2
187.11201	3.4
187.14867	8.0
189.12794	3.9
189.16415	7.5
191.17981	4.0
197.13264	3.2
199.11240	2.6
199.14728	4.4
201.16541	3.4
203.10683	2.8
203.14452	4.2
203.17924	6.0
205.12227	6.2
209.13298	3.1
215.14400	3.9
217.16028	3.3
217.19554	5.1
233.15178	3.1
273.25760	21.5
291.26819	15.8
297.11057	4.6
303.26791	2.8
309.20639	4.1
309.27933	6.8
315.19604	4.8
315.26749	2.5
331.26321	4.1
333.27908	2.7
349.27234	3.0
357.27832	3.2
371.29355	2.7
375.29007	3.5
381.27850	3.5
387.28857	3.9
399.28638	13.2
405.30444	3.1
417.30173	9.3
435.24695	3.1
435.30936	9.4
453.31198	3.2
471.30975	3.5
471.35324	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05501	1.4
57.03421	0.8
57.07051	0.5
61.02916	0.7
62.22667	0.4
67.05494	2.5
69.03415	2.8
69.07071	3.1
69.99600	2.4
71.04980	0.5
79.05489	2.2
81.03406	1.2
81.07053	4.8
83.04974	3.1
83.08617	1.0
85.02896	4.2
85.06517	1.4
87.00821	1.0
91.05470	2.1
93.07017	2.9
95.04951	0.4
95.08597	4.6
97.02876	1.5
97.06506	0.7
97.10169	0.7
99.04438	0.9
105.01879	0.5
105.07038	2.4
107.08585	3.3
109.02873	1.2
109.06473	1.0
109.10147	3.0
109.63965	0.4
111.04421	0.4
111.08057	1.3
117.07009	0.4
119.08569	2.9
121.06527	0.6
121.10116	3.4
123.08052	0.8
123.11717	1.5
127.03920	2.6
127.07550	0.5
131.08554	1.5
133.10126	1.8
135.08025	0.9
135.11682	1.7
137.05978	2.1
137.09616	1.7
137.13219	0.5
138.10065	0.5
142.03154	0.5
145.04948	0.8
145.10117	1.9
147.08075	0.7
147.11696	2.4
149.09547	1.3
149.13245	0.7
151.07571	0.5
157.10054	0.4
159.11681	1.2
161.05948	0.8
161.09581	0.7
161.13268	1.2
163.11160	1.2
163.14807	1.4
165.09084	2.8
165.12743	1.5
173.02905	0.6
175.14714	0.4
177.16389	0.5
179.07053	0.8
185.09677	0.5
187.14836	0.9
189.16571	0.5
195.01363	1.1
205.12271	0.5
205.15834	2.9
213.02437	0.5
223.16919	14.6
257.07922	0.6
291.19690	0.5
291.26849	1.4
297.11163	1.2
309.11246	0.9
309.27875	1.7
317.07608	0.6
321.04755	0.5
333.07886	1.7
335.09476	4.9
335.13080	0.7
339.17801	1.1
351.12311	0.6
389.65451	0.5
471.21979	100.0
472.22427	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92641	0.3
55.05503	0.7
56.96588	0.4
57.03418	0.4
61.18470	0.3
67.05500	0.6
69.03424	1.0
69.07051	1.2
69.77869	0.3
69.78226	2.4
71.04983	0.5
71.81254	0.4
79.05485	0.8
80.55022	0.3
81.03400	0.6
81.07037	1.4
85.02896	3.5
91.05453	0.9
93.07031	1.2
95.04970	0.6
95.08590	0.8
97.02882	1.0
98.97622	0.3
103.05470	0.5
103.90569	0.3
105.06999	0.8
107.04938	0.6
107.07339	0.5
107.08580	0.8
108.08135	1.8
109.06495	0.4
109.10123	0.8
117.07006	0.4
119.04950	0.5
119.08586	0.8
120.08091	3.1
121.06558	0.4
121.10163	0.6
123.04418	3.1
123.08011	0.5
123.11711	0.5
127.03909	0.8
131.04948	0.9
131.07326	0.6
131.08458	0.5
132.08083	3.3
133.10049	0.4
134.09666	1.3
135.04395	0.4
135.07925	0.4
137.05966	1.5
137.09552	0.5
144.08034	1.7
145.04961	1.2
145.08830	0.6
145.10063	0.5
146.09645	1.0
147.04405	4.2
149.05984	0.7
150.09132	0.4
152.07033	0.5
158.09555	0.7
160.11232	1.1
161.06046	0.6
162.09190	0.4
165.09200	0.6
166.08626	4.3
167.07181	0.4
168.10219	0.4
179.06993	0.6
179.09435	2.2
180.10234	1.0
181.43199	0.4
187.14879	0.4
190.08681	0.6
192.10205	1.3
205.10800	0.7
209.09648	0.4
210.71768	0.4
226.08611	1.2
236.10706	0.7
237.08980	0.6
239.09323	0.5
240.10178	2.9
241.10915	2.2
242.11646	0.5
250.12311	0.6
254.11705	6.1
255.12541	1.6
268.13177	0.7
284.09421	0.4
288.89035	0.4
296.12802	0.7
298.10724	1.2
299.11517	1.6
309.11069	0.7
314.13837	100.0
315.14066	3.0
325.03119	0.6
347.17093	0.4
370.22504	0.4
418.63474	0.4
429.17993	0.5
453.06583	0.4
471.09399	0.5
471.15402	0.9
471.21777	0.7
471.26428	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.3
57.03413	0.5
65.03941	0.3
67.05483	0.8
69.03410	0.9
69.07066	0.4
70.06587	0.8
71.02419	0.3
71.04984	0.3
71.59085	0.3
71.59560	0.4
73.02917	0.6
75.65874	0.3
79.05470	0.9
80.05839	0.2
81.07044	4.2
82.07383	2.0
83.01086	1.1
83.04965	0.5
83.06052	0.3
83.08623	0.7
84.04456	0.3
84.53603	0.3
85.02895	1.3
85.06529	0.3
85.07663	0.6
86.09682	0.7
91.05445	0.5
93.07025	0.6
95.01077	1.9
95.04960	0.5
95.08603	0.9
96.01859	0.8
96.08131	0.4
96.91322	0.3
97.02869	0.8
97.06541	0.5
98.52785	0.3
98.97581	0.8
100.07576	0.4
100.10592	0.3
100.11250	5.8
105.07030	0.8
109.02865	0.4
109.06513	0.4
109.10124	0.4
109.85515	0.3
111.00528	0.4
111.04408	0.4
112.01318	1.1
113.02106	2.9
115.03916	0.3
116.98598	0.6
119.08532	0.8
121.10095	0.4
122.06058	0.5
123.04446	0.4
123.08043	0.7
124.07560	2.5
124.86378	0.3
126.02879	0.5
126.09121	0.4
127.03876	0.7
131.04970	0.3
133.10098	0.4
136.07591	0.4
137.05975	0.7
137.09613	0.5
138.09114	0.8
140.07036	0.4
141.01549	0.3
141.09068	1.1
142.09497	0.8
147.08025	0.3
147.11670	0.3
151.07503	0.3
157.04695	0.8
161.03036	0.3
161.09654	0.4
164.07088	0.6
165.01814	0.5
167.03145	0.7
169.04773	0.3
175.14780	0.3
177.00745	0.4
177.05504	0.4
182.15430	1.2
185.04195	3.9
189.05258	1.3
192.79968	0.3
201.03728	1.0
203.05293	1.4
205.08392	0.4
207.06325	0.4
209.16486	1.2
210.14883	2.2
219.01820	0.6
219.06256	2.6
221.29845	0.3
234.08604	18.9
235.09387	0.9
237.02843	0.7
259.07831	2.5
265.06531	0.6
273.07571	0.3
277.10468	2.6
279.03864	0.3
280.36566	0.3
291.20575	0.6
309.12387	0.5
309.14377	0.6
368.12955	0.6
369.04996	0.3
395.13174	0.4
440.16565	0.7
441.17419	2.4
453.18549	0.3
471.18335	100.0
471.35196	7.5
472.18716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50919	0.2
56.96545	1.1
57.03418	0.3
61.02916	0.3
65.85083	0.3
69.03420	0.5
69.90861	0.8
69.91273	0.8
71.04985	0.4
73.02903	1.3
77.00889	0.6
82.06559	0.6
82.34573	0.3
82.99860	0.5
83.47613	0.2
84.08102	0.4
85.01397	0.4
85.02882	0.9
86.06090	0.4
87.64880	0.2
94.99875	0.4
97.02887	0.7
98.97585	2.3
100.99146	0.6
101.00866	1.9
103.02446	2.8
107.42661	0.3
109.02869	0.9
110.43451	0.3
110.97556	0.3
111.02958	0.4
112.99142	1.3
113.00872	0.8
114.05556	0.3
115.02394	1.4
116.98640	1.6
117.03954	0.4
119.00175	0.7
119.01920	8.7
121.01642	0.8
121.03506	2.0
127.02444	0.7
128.07074	2.3
128.98587	0.7
129.03986	1.9
131.00179	2.9
131.01901	3.6
133.01665	0.8
133.03465	8.1
134.99667	0.4
137.02928	2.2
139.02441	0.3
141.03935	0.7
141.04945	0.3
143.01880	2.3
145.01640	0.6
145.03456	4.9
146.99680	0.4
147.01285	0.3
147.03174	0.8
147.05022	3.9
149.01247	1.7
149.02963	0.7
151.04529	2.1
155.01881	4.4
156.05066	0.5
157.01627	1.3
157.03464	7.1
158.99677	1.0
159.01385	0.5
159.03162	0.5
159.05023	6.1
161.01480	0.6
161.02956	6.7
161.06573	0.4
163.02692	1.6
163.04477	1.0
165.04031	0.4
165.06070	0.7
167.01978	0.5
169.03453	1.0
171.05008	4.2
173.01273	1.9
173.02968	6.6
173.06638	0.7
173.09195	1.9
174.03020	0.5
175.02718	4.1
175.04517	5.9
177.00722	1.6
177.02420	0.4
177.06084	6.7
179.01903	1.0
179.04070	0.3
181.03502	0.7
183.05023	3.6
184.04587	0.3
185.02934	3.5
185.06589	1.3
187.02850	0.6
187.04532	2.0
189.00768	0.4
189.06128	2.0
191.02271	2.7
193.03754	1.1
193.05507	0.4
195.05254	0.7
195.07092	3.9
195.08752	0.4
196.02202	0.4
197.02992	3.4
197.06534	0.5
199.04523	1.1
201.00760	0.5
201.06113	2.8
202.55074	0.3
203.04045	3.1
203.07593	0.5
205.03807	0.6
205.05600	0.9
207.05013	0.7
209.03065	0.6
211.04582	2.1
211.06676	1.1
212.67061	0.4
213.06168	1.4
215.03987	0.7
215.07619	0.7
217.03734	0.3
217.05603	0.9
218.06458	0.6
219.01747	1.3
219.07144	16.7
220.07164	0.5
221.03053	0.6
221.05066	7.8
222.05278	0.3
224.54536	0.3
225.06157	1.5
229.05664	0.4
231.07137	16.2
232.07552	0.4
233.03275	0.4
233.08702	4.2
235.04749	0.8
235.06746	2.1
237.02856	1.8
237.06175	0.4
239.06219	0.5
243.07231	0.8
245.05074	10.8
245.08835	0.9
245.11101	0.4
246.05289	0.5
247.06712	2.9
249.08211	0.4
255.07149	5.9
255.09685	0.5
257.05188	0.3
258.07440	0.4
259.06564	1.9
261.02768	0.8
261.08203	2.7
263.06198	1.1
265.07556	0.3
271.06696	1.0
273.08173	4.8
275.06110	0.9
276.06467	0.4
277.08047	5.5
279.04001	0.6
281.05478	0.7
291.03964	0.5
291.09341	0.5
295.08740	16.3
303.09210	0.7
307.08563	0.3
318.10309	0.9
321.10300	100.0
322.10635	1.9
337.10046	6.7
339.11407	6.5
351.06168	1.0
355.08994	2.6
362.12958	0.8
411.08362	0.7
411.13321	0.4
453.08826	0.5
453.14600	5.2
471.10165	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	470.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58259	0.4
53.03939	1.4
55.01864	0.8
55.05499	0.7
57.03431	1.3
61.02918	1.1
63.32807	0.4
65.03944	0.6
67.05503	0.5
69.03416	1.4
69.07053	0.8
70.06582	0.8
71.04984	1.0
71.60204	0.4
71.60648	0.5
73.02913	4.4
79.05490	12.2
81.03448	0.7
81.07051	100.0
82.07391	0.8
83.04968	1.3
84.93386	0.5
85.02892	2.4
85.06551	0.5
87.04456	0.6
91.05479	0.9
93.07027	0.9
95.04980	1.1
95.08601	0.7
97.02889	2.2
98.97580	0.7
105.07019	0.8
107.04950	0.7
107.08558	0.4
109.02863	0.8
111.08065	0.5
113.85078	0.4
115.03928	0.8
117.06984	0.5
119.01953	1.3
119.04954	0.7
121.02895	0.9
121.10143	0.8
123.04443	0.6
123.11707	0.9
127.03929	0.9
133.04976	0.6
133.10138	0.9
136.07611	0.5
137.02985	0.5
137.05960	2.0
138.06346	0.7
141.09093	8.7
141.12772	0.5
143.01901	0.9
143.10692	0.8
145.04974	1.1
145.06483	0.4
147.04427	0.6
153.09081	0.5
159.10201	0.7
161.02985	3.6
161.05887	0.4
164.07048	1.0
169.71468	0.4
177.05484	0.4
177.09050	0.6
184.09772	0.4
191.08229	0.7
193.05023	0.4
203.03882	1.6
204.03825	0.9
205.04697	0.8
207.06546	0.7
221.04503	0.4
222.04794	0.6
233.04271	0.4
237.18553	0.5
272.22919	0.5
276.12561	0.6
291.14529	1.7
294.08911	0.4
307.06015	0.5
307.13083	0.4
308.06467	1.5
308.13269	0.5
309.07266	0.8
309.15479	1.7
310.07974	0.6
312.10681	0.7
313.12680	0.6
314.13306	0.6
321.07544	0.8
322.07895	4.0
323.08469	1.0
334.07974	0.8
336.09357	1.0
338.07297	0.4
348.09546	0.6
349.06741	0.6
350.07339	2.1
351.16296	0.6
352.09058	1.3
360.09760	0.7
364.09174	0.4
376.08984	0.9
379.07733	0.5
380.08585	1.9
388.09000	1.1
404.08539	0.7
406.10175	1.1
410.09589	1.0
411.18750	2.0
416.08298	1.0
434.09442	4.9
435.10043	0.8
452.10501	7.1
452.17020	0.7
470.11780	5.2
470.19336	1.8
471.12485	0.7
471.17825	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.4
61.02910	2.2
66.86668	1.4
69.03418	6.1
69.07059	2.0
70.06577	1.5
70.93985	3.0
71.01350	3.8
72.04514	2.0
73.02911	17.0
74.06027	2.0
75.82021	1.6
79.65617	1.5
81.03404	1.9
82.06574	5.4
84.04488	2.4
85.02903	12.4
86.06051	6.0
91.05476	1.9
97.02882	8.4
98.06047	5.0
105.07027	15.1
107.04918	4.9
109.02852	2.3
110.06028	5.1
111.04423	1.5
113.02326	2.1
114.05504	3.0
115.03931	4.5
116.50784	1.2
120.04431	3.2
122.06015	5.7
124.07578	4.5
124.97502	1.6
126.05533	7.1
127.03889	4.9
128.07074	3.9
131.08588	4.3
133.06485	63.1
135.06775	3.5
135.08018	3.1
138.05614	1.8
139.03893	2.0
140.07060	7.4
143.03441	1.6
144.05589	2.8
144.06610	3.0
146.05989	9.7
147.06821	1.5
156.06531	3.0
157.04961	2.0
158.08192	1.6
159.08043	12.5
172.03961	1.4
173.04608	2.5
174.05467	5.2
174.07631	21.6
174.09052	2.6
176.10698	100.0
177.11043	1.8
186.07695	3.5
186.09276	1.6
191.05809	2.4
204.06760	2.4
204.08586	8.7
250.36226	1.4
255.11369	4.1
269.12912	4.4
297.12289	7.3
313.11829	3.3
338.15955	28.6
396.19147	1.9
396.45483	1.7
438.20230	16.7
439.20541	2.1
470.20212	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	470.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01870	1.1
55.02100	0.6
55.05494	0.6
56.05027	1.1
57.03430	8.4
58.06575	1.1
59.00456	0.6
60.04516	0.7
61.02917	2.1
69.03427	6.3
70.06573	1.1
70.96674	1.3
71.01338	3.8
72.04514	1.3
73.02916	17.4
74.06060	1.5
79.05487	1.3
81.03399	2.2
81.07032	0.6
82.06572	5.5
83.04958	1.3
84.04495	1.9
85.02896	8.5
86.06056	5.0
87.04427	0.9
91.05466	1.2
94.06575	0.6
95.04939	1.2
96.04501	2.8
97.02891	8.2
98.06060	4.8
99.04429	1.8
100.03982	0.7
100.07648	0.7
101.02386	0.7
102.05563	1.1
105.07026	13.1
107.04947	6.8
109.02898	2.6
110.06010	6.0
111.04424	1.6
113.02345	2.3
114.05547	3.1
115.03932	3.5
120.04475	4.1
122.06013	1.4
123.04356	1.1
124.03927	0.5
126.05495	4.8
127.03897	3.3
128.07077	3.0
129.07002	0.7
131.03337	0.7
131.04921	1.8
131.08559	4.9
133.06485	53.5
134.05942	0.8
134.06888	0.9
135.06778	4.0
135.07979	1.2
138.05489	0.8
139.03879	1.2
140.07048	1.9
141.06981	1.0
144.05661	1.9
144.06622	1.3
145.04938	2.4
146.05968	2.0
146.08101	1.1
147.06773	2.1
148.07623	0.7
156.06575	4.3
157.04974	1.5
158.09631	0.8
159.08057	12.3
160.07558	0.6
161.08360	1.1
169.07617	0.7
173.04497	1.1
174.05461	1.4
174.07622	26.2
176.10693	100.0
177.11021	2.2
186.07593	3.3
187.06102	1.0
201.09038	0.7
204.08676	12.1
231.10313	0.7
259.09714	0.8
262.39099	0.6
269.12976	0.9
275.07648	0.7
297.12244	1.7
313.11816	0.6
318.11795	0.7
336.12918	2.9
337.13678	1.4
338.15942	35.2
339.16339	0.9
438.20255	3.4
447.25223	0.5
452.18445	0.8
470.13593	0.9
470.20175	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.7
55.20599	0.8
56.05033	1.2
57.03442	1.0
60.04523	1.6
61.02912	0.9
67.05480	1.0
69.03410	1.1
70.02941	7.0
70.06584	1.3
70.86049	2.2
71.05013	1.0
72.04502	7.4
73.02898	3.4
74.00642	1.0
81.03423	0.9
81.07034	3.7
83.06087	2.2
84.04498	44.3
85.02901	2.2
85.93549	0.8
90.05561	6.2
91.05461	3.6
92.01701	1.0
95.04947	0.8
95.08586	1.5
97.02874	1.3
98.02382	1.4
99.05569	2.9
99.08043	0.9
102.04697	1.3
112.07602	0.8
119.04917	2.2
120.51363	0.7
121.10144	1.1
123.04464	1.9
123.11692	1.9
126.05505	91.3
127.05016	4.1
129.06601	3.7
130.04103	3.0
130.05006	10.2
135.02632	7.1
135.05411	0.8
136.07529	0.8
137.05972	1.3
141.06595	7.1
141.09076	1.5
141.12773	1.1
144.06548	100.0
145.06030	1.5
147.04402	12.4
147.07642	3.3
148.05179	26.2
149.00536	3.3
153.06412	0.9
157.35078	0.8
159.07651	39.2
161.04219	3.0
163.02107	14.6
166.00798	6.1
167.01625	7.8
179.01608	13.9
181.03159	40.2
189.03676	6.5
191.04810	14.3
192.08418	1.7
203.03435	1.0
207.04704	10.6
217.03264	1.4
219.04671	1.3
221.34785	0.8
224.07379	19.7
235.04210	4.7
290.08463	3.2
308.13266	1.1
312.27029	1.0
318.08029	1.9
322.07941	2.2
324.09030	10.0
327.62509	0.8
336.09424	1.0
341.11649	32.2
342.11826	1.3
352.08533	0.9
363.10007	1.9
380.08563	1.1
381.11087	8.8
416.08435	1.0
434.09665	4.7
452.10229	4.0
457.36938	0.9
470.11047	2.2
470.16855	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	470.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	16.1
56.05023	0.4
57.03431	0.6
57.43371	0.4
65.03943	0.3
67.05506	0.7
69.03415	0.4
70.02931	0.4
70.91573	0.7
72.04513	7.3
73.02911	0.6
74.00656	10.8
79.05484	0.5
81.07052	0.7
83.06113	2.1
84.04498	37.7
85.02896	0.9
90.05550	4.2
91.05456	2.5
95.41814	0.4
97.02872	0.7
98.06038	0.8
100.11208	0.4
102.05528	0.7
117.07043	0.9
119.04922	2.5
120.05713	1.0
123.11705	1.0
125.04206	0.6
126.05503	100.0
127.04994	0.5
127.05847	0.9
128.06201	1.7
129.06583	3.7
130.04129	0.7
130.04991	3.4
135.02596	2.7
135.08070	0.6
138.01303	0.4
141.06575	0.6
141.12726	1.4
144.06544	87.5
145.06581	1.1
146.07225	1.0
147.04385	2.7
147.07597	0.5
148.05176	7.6
149.00528	0.8
149.04684	0.8
149.05817	0.5
151.02127	3.3
153.03683	1.7
153.06580	0.7
155.06100	0.4
159.07668	0.6
159.13806	1.1
161.04189	5.6
163.02124	3.0
163.07555	0.6
165.00140	0.8
166.00822	9.5
171.02682	0.5
179.01631	2.9
179.05212	1.4
181.03185	4.9
181.06044	1.0
189.03677	13.6
190.04028	0.4
191.04889	0.4
193.03154	0.5
207.04730	18.6
224.07364	17.3
235.04250	2.1
236.07623	0.4
252.06848	0.9
264.06958	0.9
270.10757	0.4
290.08136	0.7
306.07877	5.4
318.07959	0.4
324.08978	24.1
325.09518	0.6
341.11630	43.6
342.11987	1.4
353.11475	0.5
363.09955	1.2
381.11081	7.4
399.20465	0.4
407.12601	0.6
437.36423	0.4
452.14835	1.4
462.85928	0.4
470.15509	2.8
470.34085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
50.72415	7.6
53.03962	7.9
55.05490	7.5
67.05508	8.4
69.07038	8.5
71.62183	10.6
81.07053	19.3
93.07053	14.6
95.08588	29.8
105.07038	14.2
107.08607	19.8
109.10147	22.6
119.08587	21.6
121.10126	22.1
121.67601	8.0
135.08073	8.7
139.22929	8.8
145.10129	9.2
147.11665	8.6
149.65781	7.6
158.06985	9.4
159.11639	15.0
161.09637	13.3
173.13254	15.8
192.09213	8.2
213.09164	10.2
247.43515	7.8
272.24429	8.0
339.26630	14.0
340.27365	11.8
383.33075	15.9
423.32413	18.1
425.34140	47.8
433.54562	8.7
451.32059	77.5
469.33163	100.0
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	Acridocarpusic acid C
Peak:m/z	Relative Intensity
51.65504	1.3
55.05515	3.4
56.74647	1.1
57.03440	1.5
57.07053	1.2
67.05513	9.5
69.07079	9.9
69.70654	9.3
70.49300	1.2
71.05007	1.9
74.08723	1.2
79.05497	10.7
81.07061	20.7
83.05035	1.2
83.08615	3.1
91.05479	6.1
93.07044	20.3
93.07518	1.4
95.05000	2.5
95.08607	20.8
96.03238	1.3
97.06535	4.3
98.21423	2.6
99.08105	6.4
101.14021	1.1
105.07024	10.3
107.04986	3.0
107.08591	19.9
109.06539	2.4
109.10157	16.6
111.08125	2.0
119.08568	14.2
121.06541	3.5
121.10144	24.9
123.08073	2.0
123.11701	10.8
125.05980	13.2
129.06978	1.7
131.08611	3.9
133.10139	18.0
134.98184	14.5
135.08096	3.2
135.11732	5.8
139.07521	16.0
143.08563	2.8
145.10103	8.4
147.08101	2.3
147.11684	11.6
149.09657	1.6
149.13252	18.4
149.14311	1.4
151.07509	1.8
157.10205	3.3
159.08144	3.3
159.11766	5.8
161.09726	2.5
161.13333	4.8
163.07594	2.4
163.11232	2.7
163.14793	2.5
165.09238	3.2
171.11786	2.7
173.09676	2.9
173.13290	6.8
175.09685	1.1
175.11168	33.1
175.14874	3.0
177.09131	1.9
179.10692	1.8
185.13284	3.3
187.14833	9.2
189.12817	2.8
189.16481	3.4
191.10735	3.1
191.17969	9.5
193.12306	1.5
196.40443	1.2
197.13394	3.6
199.14893	2.1
201.12802	2.0
201.16443	1.7
203.14352	1.7
205.15869	9.7
211.14854	1.5
213.12801	2.0
213.16611	1.3
215.14328	21.2
217.15958	1.9
231.13950	1.5
233.15363	100.0
247.17046	1.5
261.18695	2.6
275.20224	2.6
287.20181	4.2
299.20322	1.9
313.21646	2.6
329.25076	1.8
335.25986	4.4
357.24240	2.9
405.31570	2.3
406.35468	1.4
414.72729	1.5
423.32623	37.8
433.31219	2.8
441.33762	6.3
451.32516	13.1
469.23520	9.5
469.33453	43.8
470.34348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
51.47881	0.5
55.01826	0.6
55.05451	1.9
57.07043	0.9
65.03880	0.7
67.05497	3.2
69.07063	3.3
70.82089	0.5
71.04935	0.7
72.89396	0.5
76.91972	0.4
79.05485	6.0
81.07050	9.9
83.08543	1.6
85.06493	0.9
91.05473	3.6
93.07040	9.9
95.04905	1.8
95.08598	9.8
97.06513	2.7
98.20699	1.1
99.08028	2.3
103.28988	0.5
105.07019	4.8
107.04945	2.4
107.08583	11.7
109.06467	1.2
109.09476	0.8
109.10142	11.5
111.08013	2.0
119.07806	0.6
119.08567	8.3
121.06495	3.0
121.10135	11.1
123.10957	0.5
123.11695	7.2
125.05978	17.2
131.08528	2.6
133.10115	14.5
135.08006	1.4
135.11649	3.6
138.81142	0.5
139.07524	21.8
143.08609	0.8
145.10112	5.1
147.08017	0.9
147.11696	3.4
149.09579	1.3
149.13240	15.4
153.09035	0.7
157.10068	1.8
158.55823	0.6
159.07988	1.2
159.11702	3.2
161.09593	3.5
161.11987	0.6
161.13239	9.2
163.07516	0.7
163.11159	0.6
163.14772	1.0
165.20625	0.5
171.11638	2.1
172.12404	0.7
173.09547	1.8
173.13271	3.2
175.11150	5.0
175.14789	1.0
177.09064	1.4
177.16341	1.5
179.08377	0.5
179.10602	0.7
183.11578	0.5
185.13194	1.1
187.11194	0.8
187.14795	7.0
189.12723	13.4
189.16338	2.0
191.10612	1.7
191.14252	1.1
191.17909	6.5
197.13239	3.1
199.11397	0.6
201.12726	0.6
201.16330	0.8
203.14296	1.2
205.15839	1.5
215.14299	19.8
215.17596	0.8
217.15826	3.1
219.13728	0.8
229.15883	0.8
229.60683	0.5
233.15341	100.0
234.15752	1.4
247.16911	0.6
259.17075	1.2
261.18478	2.6
274.18161	0.6
275.20108	2.4
287.20026	3.7
289.21609	0.6
299.20050	1.5
301.21649	2.1
313.21600	1.6
327.23141	1.5
381.27710	0.7
422.28748	0.6
423.32547	25.6
433.31174	0.9
441.33652	6.9
451.32516	2.7
469.33273	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	469.3312
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03902	0.9
55.05451	2.4
57.07029	1.0
67.05430	3.1
69.03373	0.6
69.06990	4.1
70.05074	3.2
79.05491	6.1
81.07054	9.2
83.08560	1.7
85.06493	1.0
91.05477	5.1
91.11852	0.7
93.07042	11.8
95.04893	2.0
95.08607	12.4
97.06449	1.8
97.10162	0.6
99.08018	2.8
105.07021	6.6
107.04942	3.3
107.08588	13.8
109.06492	0.8
109.10155	14.4
111.08061	4.5
115.05390	0.7
119.08572	9.0
121.06498	38.0
121.10139	12.9
123.07336	0.6
123.08058	6.6
123.11703	7.4
125.05990	10.7
131.08548	2.9
133.10124	15.2
135.08014	1.9
135.11670	5.1
139.07535	14.8
143.08502	2.0
144.09270	0.6
145.09186	0.6
145.10097	6.3
147.07967	1.0
147.11694	4.2
149.05902	0.6
149.09564	1.9
149.13252	14.7
151.07501	1.1
157.10048	2.7
159.07991	1.3
159.11671	3.9
161.09608	3.1
161.13290	5.8
163.07487	1.3
163.11121	1.3
163.14751	2.3
165.09108	0.7
169.10010	0.8
171.11638	2.3
172.12398	0.9
173.09555	2.1
173.13185	4.1
175.11157	3.9
175.14789	1.3
177.09042	2.1
177.16348	1.0
179.10632	1.0
182.10867	0.7
185.13205	1.4
187.11153	1.3
187.14818	8.5
189.12753	8.5
189.16353	4.9
191.10646	1.2
191.14227	1.7
191.17986	3.2
193.12311	0.9
197.13261	3.5
199.14670	1.3
201.12732	1.2
201.16347	1.1
203.14227	1.4
205.15828	2.8
207.17349	0.8
211.14870	0.7
213.16281	0.7
215.14304	16.6
215.17717	1.0
217.15868	4.1
219.13802	1.5
227.14273	0.8
229.15924	1.5
231.13756	1.2
233.15353	100.0
243.17349	1.0
245.18990	1.0
247.17041	1.0
257.18997	1.4
259.16919	1.3
261.18600	3.2
269.18976	1.4
275.20023	2.6
285.18381	0.7
287.20102	3.7
299.20111	1.3
301.21732	1.5
313.21741	2.1
321.20703	1.7
327.23441	1.0
339.48538	0.8
353.24884	0.9
381.28305	0.8
405.31799	1.4
423.32574	32.4
433.31036	2.1
441.33835	4.7
451.32321	8.9
469.33408	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45715	2.3
53.03944	9.7
55.01859	8.3
55.05505	18.0
56.96555	3.6
57.03423	12.4
57.07066	4.6
61.02916	6.1
65.03938	2.3
67.05499	21.1
68.99780	6.8
69.03427	36.1
69.07062	27.6
70.18229	13.0
71.04990	21.5
73.02888	8.7
75.82379	3.0
79.05482	27.6
81.03422	29.1
81.07050	100.0
82.07386	3.6
83.04978	10.8
83.08601	11.0
85.02902	47.6
85.06531	7.2
86.03192	3.3
87.00830	15.9
87.04440	4.2
91.05471	23.3
92.50189	3.0
93.07034	45.5
94.62489	2.7
95.04964	16.4
95.08041	4.8
95.08603	57.1
97.02888	21.5
97.06532	10.9
97.10151	8.3
99.04439	8.3
99.08089	36.1
103.03914	7.8
105.01848	11.1
105.03392	16.0
105.07027	49.7
107.04976	6.0
107.08578	43.7
109.02870	16.3
109.06516	9.8
109.10149	45.3
111.04375	5.7
115.03926	8.2
117.07008	7.1
119.07751	5.0
119.08570	44.5
121.06468	10.1
121.10134	36.9
123.04428	12.6
123.08037	9.8
123.11705	25.6
125.09612	8.9
127.03904	23.7
127.11150	21.0
128.06227	5.2
129.01845	6.1
129.06967	8.2
131.08572	21.9
133.06502	6.5
133.10117	35.7
135.08043	8.1
135.11671	26.2
137.05969	16.4
137.09612	7.7
137.13258	10.8
139.03851	3.1
139.07521	5.9
139.11220	4.6
141.06960	6.4
142.07791	4.0
143.08513	15.8
145.04956	7.2
145.10104	30.2
147.02847	4.2
147.08049	8.2
147.11659	28.4
149.06102	3.5
149.09573	6.3
149.13235	12.8
151.07448	4.4
151.11108	4.5
153.12677	6.4
155.08513	10.3
156.09213	4.0
157.10136	23.0
159.02878	4.9
159.08055	7.3
159.11678	33.7
161.09602	9.1
161.13226	15.0
163.07527	4.2
163.11160	4.9
163.14828	4.8
165.09109	4.6
165.12743	4.1
169.10112	11.3
171.11717	11.1
173.09624	9.6
173.13260	10.6
175.11174	7.6
175.14883	5.1
177.12770	3.9
177.16345	4.6
181.10123	7.6
183.08022	2.9
183.11662	6.5
185.13255	7.6
187.11235	3.3
187.14789	8.7
189.12732	7.1
189.16362	11.0
191.10783	6.3
191.14270	3.5
191.18015	3.5
193.15691	2.7
195.11726	7.1
197.13206	8.1
199.14885	4.6
201.12741	7.7
201.16356	9.8
203.10818	3.1
203.14333	4.6
203.17897	19.5
205.12285	2.8
207.11693	4.7
211.14865	4.5
213.16350	6.4
215.14307	3.6
215.17992	6.6
217.15915	5.1
219.17555	5.9
221.18936	8.7
225.12778	6.3
227.18018	6.6
231.17320	4.7
233.18871	5.1
241.15874	3.3
243.17509	4.1
245.10440	6.2
245.18948	9.4
259.16809	3.5
263.20013	7.0
272.19321	4.0
273.18671	3.0
286.40317	2.7
287.20096	4.0
287.99228	2.7
293.18945	4.8
303.10681	3.2
307.15140	7.9
307.18903	3.2
307.26224	3.9
311.20099	15.5
329.21039	13.5
347.22238	4.4
365.15692	3.3
367.24838	3.1
422.38309	3.0
433.22388	11.0
450.58850	3.2
451.23047	18.7
469.19131	5.9
469.24225	13.1
469.30441	2.6
469.32962	3.2
489.20340	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	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01869	3.2
55.05513	0.8
57.03416	1.6
60.51028	0.4
61.02919	0.5
67.05484	1.8
67.26607	0.6
69.03069	0.7
69.03426	9.9
69.07056	0.9
71.04984	7.9
71.59885	0.7
73.02921	0.7
79.05475	1.6
81.02974	0.8
81.03413	10.5
81.07039	2.4
83.04981	1.1
83.12211	0.4
85.02904	1.6
85.06519	0.9
89.68741	0.4
91.05471	1.8
93.07029	1.6
95.04974	0.8
95.08604	2.1
97.06493	0.4
99.04448	6.3
99.08150	0.6
99.61434	0.4
101.02357	0.9
103.03928	0.5
105.07014	0.6
107.04969	1.2
107.08562	1.0
109.02849	3.4
109.10149	0.9
115.05470	0.7
117.05492	1.1
117.07065	0.7
118.06554	2.5
119.01884	0.6
119.04940	1.0
119.08543	0.8
119.34204	0.4
121.02863	0.7
121.06514	0.6
121.10118	1.7
123.04414	0.9
126.05423	0.7
127.03938	0.7
131.04892	1.7
133.10086	0.8
135.04395	0.5
135.11693	1.5
136.07555	0.7
137.04996	0.8
137.05978	8.7
139.03867	0.5
144.06549	0.6
145.05135	0.4
145.06450	1.5
145.07611	4.5
145.10069	0.5
147.04376	1.9
147.09142	4.2
147.11650	0.6
149.05969	0.6
149.13251	0.7
151.07530	1.6
157.06427	0.8
159.07942	0.5
161.02980	1.0
161.05972	1.3
161.13312	0.5
163.07487	1.1
163.08704	0.6
164.07051	1.2
169.06534	0.5
173.07108	8.8
175.07462	1.4
175.08679	4.4
177.05522	1.1
177.09036	1.2
179.07083	1.3
181.05055	0.8
183.06479	1.0
187.07614	0.9
189.09143	1.1
190.07458	0.6
191.08145	100.0
192.08543	1.1
193.08574	0.6
201.09062	1.3
203.03593	1.1
203.06989	0.8
203.10553	0.8
217.08586	0.6
219.10017	0.6
226.23946	0.5
227.10680	0.4
229.08592	0.6
235.20633	0.8
253.21617	1.9
271.22668	3.6
273.11179	1.8
289.11871	3.4
289.23721	0.7
292.57208	0.5
293.08173	0.6
303.09778	0.5
307.12866	75.7
308.06824	1.1
308.13129	1.5
321.07523	3.3
322.08011	0.6
325.13928	17.6
325.17685	1.0
333.07535	0.9
335.09152	1.1
349.06918	1.6
351.08615	1.3
379.07828	1.2
397.13785	1.3
403.07913	0.7
405.09595	0.8
407.18076	1.6
409.16476	2.2
415.15073	1.7
433.09195	3.3
433.16010	5.9
451.10144	5.0
451.17209	2.0
469.11176	3.4
469.18604	3.4
481.69931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01850	1.1
55.05491	3.9
57.03434	4.9
58.85305	0.9
59.04979	1.0
65.03942	2.0
67.05485	3.4
69.03426	8.8
69.07060	1.7
69.51522	8.8
71.04990	5.3
73.02907	2.3
73.23176	0.9
79.05470	3.7
79.56363	1.1
81.03399	4.5
81.07041	6.5
83.04946	4.3
83.08605	1.6
85.02905	7.4
85.06527	2.1
86.86396	1.1
87.04505	1.0
91.05464	3.3
93.07021	4.4
95.04935	2.1
95.08580	3.7
97.02878	1.2
97.06496	2.1
97.10127	1.1
99.04455	12.8
100.11242	1.1
103.03930	5.5
105.07005	2.1
107.04935	4.3
107.08556	3.2
109.02853	3.9
109.10136	2.3
117.05474	3.6
117.07039	1.0
119.04955	2.9
119.08562	1.8
120.08128	1.2
121.02853	14.9
121.06496	1.1
121.10113	2.8
123.11697	1.5
124.07578	1.4
127.03927	7.2
133.10136	1.6
135.11679	1.9
136.07544	3.0
137.05936	4.1
138.09100	1.4
138.12857	0.9
145.06487	1.2
145.07585	2.7
146.08351	4.4
147.09155	100.0
149.13246	1.6
151.07524	1.9
159.09161	10.5
160.09953	3.8
161.10710	3.1
161.13292	1.1
164.07047	4.4
164.46091	1.0
173.10750	1.2
175.03827	1.7
182.09026	1.4
185.10805	1.3
187.03970	1.4
189.10193	14.0
191.08139	52.0
192.35735	0.9
199.12259	1.4
201.05431	2.2
203.03371	15.4
203.11716	2.5
205.04930	1.6
217.04915	3.0
217.19511	2.2
219.11263	3.8
221.04482	7.1
229.04916	1.7
229.13423	1.3
233.04411	2.7
235.20453	1.2
241.04942	2.2
245.12886	6.9
246.54749	1.1
253.21542	3.4
263.13898	19.5
269.04404	1.6
271.22668	6.9
279.06445	4.4
281.08115	1.5
281.14929	22.5
289.11880	2.5
289.15213	1.1
289.23587	2.1
293.08069	5.2
294.08783	1.0
295.05853	1.3
297.04074	1.4
305.07797	1.4
305.14841	9.2
307.06052	8.2
307.09323	1.9
307.12830	10.3
307.16696	2.7
307.24954	1.2
308.06699	12.7
309.07501	5.2
321.07538	42.2
322.08298	8.4
323.09006	1.9
323.16013	3.2
325.13904	18.5
333.07483	7.7
335.09122	12.5
337.06924	2.0
345.18076	10.4
346.08215	1.7
347.09225	6.4
347.16052	1.6
349.06970	17.1
349.10614	2.3
349.13998	1.2
350.07678	2.9
351.08563	15.5
359.09128	4.2
361.07010	5.8
363.08670	8.7
363.19083	13.0
364.19019	1.2
365.17087	11.1
375.08707	7.9
377.10342	4.9
379.08057	14.1
381.09451	2.2
387.08630	8.0
389.17065	16.8
391.08032	1.4
403.08118	7.3
405.09610	14.3
407.12888	1.8
407.18118	30.7
408.18210	1.2
409.09116	9.0
415.07910	2.8
425.19165	34.5
433.09183	42.2
434.09244	2.8
451.10306	56.8
451.16870	9.3
452.10483	3.4
469.11151	39.7
469.18018	81.8
470.11911	2.0
470.18112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93164	1.8
53.03941	6.4
55.01870	3.7
55.05505	5.6
57.03429	5.0
67.05489	7.3
69.03425	14.7
69.07059	7.7
69.79181	12.1
71.04977	8.7
73.02935	3.0
79.05488	7.1
81.03410	25.4
81.07044	21.4
82.07380	4.1
83.04995	10.3
83.08616	6.3
84.04480	2.9
85.02905	9.0
85.06557	5.1
86.09721	1.7
88.08781	1.7
91.05501	5.3
92.05828	2.2
93.07040	15.3
94.07365	2.9
95.04972	6.0
95.08598	17.9
96.05239	2.2
96.08936	3.2
97.02879	2.4
97.06524	7.5
98.06836	2.0
98.09705	3.0
98.21445	3.6
98.97569	2.3
99.04440	13.8
100.07588	2.8
100.11248	4.0
103.03912	2.1
105.07011	10.0
106.07373	3.9
107.04935	2.1
107.08597	5.6
108.05219	1.9
108.08949	3.7
109.02888	12.3
109.06494	6.7
109.10155	5.8
111.04396	2.8
111.08086	5.6
112.08392	2.4
116.10743	2.5
116.98628	3.2
117.05499	4.0
118.06534	2.4
119.04955	2.5
119.08583	7.9
120.08897	2.9
121.06500	20.4
121.10140	4.3
122.06829	7.2
123.04373	2.4
123.08047	2.6
123.11723	2.5
125.05953	3.2
126.05473	2.7
127.03902	5.5
127.07567	3.1
131.08571	2.2
133.10109	5.5
134.99641	2.1
135.11697	3.5
136.08389	3.0
137.05943	2.9
139.07547	4.5
140.07918	2.6
141.32851	2.0
143.08417	1.7
145.07581	6.4
147.08130	2.3
147.09172	9.4
147.11661	6.3
148.12024	8.1
151.11182	2.5
157.08597	3.5
158.10413	2.2
159.07899	2.1
161.13258	6.8
163.08739	2.6
165.12793	3.2
166.12994	2.6
171.11737	3.3
172.12032	4.2
173.03020	1.9
173.07108	9.2
175.08716	13.4
175.11172	6.7
176.11482	4.7
177.00691	2.2
179.14273	1.9
181.03209	2.6
182.15446	4.7
189.12782	2.2
190.13086	3.1
191.08151	100.0
193.12250	5.0
194.12570	6.6
197.15239	2.8
198.14935	5.7
199.11163	3.7
200.11534	6.2
208.14127	4.7
210.14908	6.7
211.13354	4.9
212.13626	5.5
217.12184	8.3
218.12564	19.4
229.14455	2.4
230.14699	4.0
231.11293	2.0
235.13287	14.2
236.13635	33.4
253.14308	23.3
254.14682	45.0
271.10724	9.8
271.15433	3.9
271.19052	13.0
271.22589	2.8
272.15707	10.6
289.11798	17.1
289.16510	3.3
290.16666	8.8
307.12857	40.3
314.55054	2.1
321.07416	2.7
325.13919	34.1
331.12772	8.3
337.21204	2.3
341.11829	2.4
349.13950	10.9
354.23886	5.0
371.16165	2.9
389.17053	5.4
397.13986	5.9
415.14975	12.3
433.09955	2.6
433.16068	15.1
451.16922	14.8
451.33243	2.2
452.31430	5.0
469.20566	3.1
469.33917	6.2
488.84515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04231	0.3
53.03938	3.2
55.01861	2.6
55.05495	1.3
57.03437	2.0
59.04985	0.7
61.02918	0.6
69.03080	0.6
69.03423	10.1
71.01337	0.8
71.04982	5.7
71.05639	0.5
71.06007	0.6
73.02893	1.1
78.42832	0.3
80.67174	0.3
81.03410	24.0
81.07023	1.0
83.04980	4.6
83.08601	0.3
84.04495	1.6
85.02885	1.9
91.05467	0.6
95.08604	0.6
96.07070	0.3
97.02850	0.4
97.06487	0.4
99.04445	10.9
100.11239	0.6
103.03919	2.0
105.07005	0.7
107.04935	0.8
107.08565	0.6
109.02868	10.5
109.06474	0.6
111.04456	0.4
116.10690	0.5
117.05477	2.3
118.06538	2.1
119.04916	0.5
119.08514	0.5
121.02874	1.6
121.06468	0.7
121.10133	0.4
122.06822	0.4
126.05480	2.6
127.03912	2.7
135.04373	0.3
144.06551	2.4
145.07584	3.9
147.04398	0.4
147.09154	9.0
147.11668	0.6
148.05167	0.9
148.12001	0.4
152.66812	0.3
161.13406	0.4
162.07861	0.8
163.08636	1.3
173.05679	0.6
173.07086	9.4
175.08655	10.1
181.03227	1.0
182.15366	0.6
187.08505	0.4
190.07304	0.8
191.08138	100.0
192.08437	1.1
198.14944	0.7
199.08588	0.8
203.03423	2.0
203.08191	1.0
204.08955	0.8
205.09682	0.6
205.27310	0.4
207.04797	0.5
207.06642	0.5
210.14963	0.8
213.10202	0.8
215.11829	0.5
217.12346	0.5
218.12505	0.5
221.04401	0.8
223.06039	0.4
224.07471	0.6
226.14235	0.5
227.08116	0.5
229.09804	0.4
231.11328	1.2
233.09186	0.8
235.13304	0.4
236.13531	0.8
243.11258	0.9
253.14290	0.7
254.14664	1.1
271.10828	2.5
271.19031	0.4
289.11783	7.9
293.08157	0.5
305.05603	0.7
307.05789	1.2
307.12860	33.1
308.06738	1.4
308.13193	0.5
309.07614	0.8
317.08072	0.4
321.07596	4.4
321.11197	0.7
322.08310	1.3
324.08896	0.8
325.13907	29.3
326.14166	0.7
331.12878	7.8
331.41571	0.3
333.07529	1.2
335.09030	1.3
336.05939	0.4
337.07034	0.5
341.11682	1.3
347.09412	0.4
349.07239	2.5
349.13913	7.4
350.07672	0.4
351.08612	2.0
354.23877	0.4
361.07013	0.5
363.08780	0.5
371.16000	1.5
375.08707	0.6
377.10278	0.6
379.08109	2.8
387.08496	0.5
389.17053	3.9
391.14954	0.5
397.13962	4.4
403.07986	0.9
405.09558	1.2
407.18146	0.9
409.09073	0.5
415.09146	0.3
415.14944	11.3
433.09204	5.1
433.16000	12.3
451.10181	7.2
451.17059	14.5
451.31989	0.7
452.10953	0.4
452.17444	0.5
469.11197	5.8
469.17120	0.5
469.33728	0.8
470.10974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
61.02939	0.4
69.03410	1.0
70.73635	0.9
70.73983	0.8
73.02909	1.6
80.71633	0.5
81.03384	0.8
83.04951	0.8
85.02895	1.6
91.05472	0.6
95.04953	0.7
97.02911	0.6
99.04425	0.9
107.08586	0.7
120.08078	0.4
120.89452	0.4
122.30458	0.4
123.04459	0.5
126.71057	0.4
127.03899	0.8
137.05946	0.7
141.29779	0.4
142.08606	0.7
147.09157	1.7
161.02956	0.6
164.06966	0.5
175.03664	1.4
185.04283	0.9
191.08195	1.7
221.78932	0.4
229.06837	1.8
271.09601	0.6
281.15088	0.7
289.10776	1.0
304.12350	0.4
305.14975	0.6
317.08383	10.6
321.07425	0.7
322.02655	0.4
325.13840	1.1
335.09198	0.5
337.09021	1.2
401.65854	0.5
437.10605	0.6
451.10400	0.6
451.17474	0.8
469.13089	100.0
470.13437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1339
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.03939	0.8
55.01869	0.9
56.96570	0.4
57.03430	1.6
59.06118	0.8
61.02905	1.7
65.03919	1.0
66.52114	0.4
67.05502	0.9
68.99788	0.7
69.03426	4.5
71.01345	0.4
71.04985	0.6
71.52425	0.5
71.52765	0.7
72.08152	0.8
72.99236	0.4
73.02910	1.0
76.97852	0.4
79.05497	0.7
80.22027	0.4
81.03390	1.9
81.07050	0.8
82.02579	0.4
83.04948	0.4
83.06116	0.5
85.02897	12.2
85.07644	0.6
87.04478	0.5
90.26517	0.4
91.03973	0.6
94.06578	0.4
95.04970	1.4
97.02889	4.1
99.04464	1.0
107.04926	0.6
109.02874	1.1
111.04435	1.1
116.98654	0.5
117.03385	0.9
121.02798	1.2
122.06017	1.2
123.04454	3.2
127.03895	3.3
131.04872	0.6
133.02824	5.1
135.04381	1.7
136.07544	0.6
139.03891	100.0
140.04254	0.6
140.07091	0.5
145.02852	1.2
145.04922	1.3
148.35260	0.4
149.05940	0.7
151.03893	9.6
153.05464	1.1
159.04419	0.7
163.03888	9.6
164.07019	0.7
169.04965	8.9
174.11281	0.9
177.05446	4.0
179.07083	0.9
181.04936	6.4
182.08133	0.6
195.06543	0.9
204.45792	0.4
205.04979	2.9
229.04910	0.7
230.30862	0.4
232.08055	0.5
234.20171	0.4
247.06030	0.9
289.07068	7.2
307.07959	4.1
307.12979	0.8
324.16483	0.5
331.10254	3.3
397.17154	0.4
469.12592	0.6
469.18579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01865	3.9
55.05505	22.4
55.05754	2.8
57.03436	40.6
57.06826	1.7
57.07076	25.9
59.04993	2.6
61.02916	14.1
67.05463	1.7
69.03423	44.5
69.07062	31.6
70.40575	2.1
70.40926	6.0
71.01342	5.1
71.04980	1.9
71.08632	7.7
73.02911	88.0
79.05470	4.1
80.83970	1.3
81.03419	12.5
81.07043	15.2
83.04980	2.4
83.08611	95.1
85.02899	100.0
85.06538	2.8
87.00803	1.9
87.04462	4.6
91.03958	3.1
91.05447	3.7
93.07027	6.5
95.04949	2.6
95.08620	7.7
97.02886	74.5
97.10173	15.7
99.04428	4.9
99.08104	1.4
101.09637	4.5
105.01879	2.2
105.07011	5.3
107.08584	5.0
109.02222	1.7
109.02853	10.1
109.10141	3.7
111.08038	1.8
111.11682	2.4
115.03919	49.8
119.08597	4.6
121.10138	4.0
123.08057	2.7
124.07568	1.6
127.03899	36.0
132.06602	3.5
133.04956	12.6
133.10120	4.1
137.06047	1.7
137.09590	1.5
139.14777	3.5
145.04947	31.5
145.10045	2.1
147.04549	1.5
147.11694	2.6
150.07645	7.0
157.15865	95.0
162.07585	1.5
163.05998	9.5
163.14803	3.2
175.14771	1.9
177.05351	2.0
185.19003	1.9
193.04918	2.0
198.18542	3.4
203.14401	1.6
223.05946	7.3
223.16931	2.0
231.04904	1.5
235.16908	4.0
241.07054	7.6
253.18176	2.5
256.12003	1.7
259.08148	9.7
265.17920	2.4
271.19031	1.6
283.18930	6.9
295.10165	5.6
319.21219	2.0
466.05191	1.7
468.22455	1.7
469.20654	2.1
469.99811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01879	0.4
55.05513	1.9
57.03428	0.8
59.04995	1.5
60.04527	0.3
61.02936	0.5
61.49091	0.2
69.03429	3.7
69.07056	0.7
71.04982	0.4
71.37721	0.2
71.38048	0.5
73.02924	1.3
79.05489	0.3
81.03412	4.2
81.07064	0.4
83.04974	4.8
85.02416	0.5
85.02899	5.8
86.06066	1.2
86.09692	0.3
86.71886	0.2
87.00788	0.5
87.04469	0.3
87.05577	0.6
87.06404	0.3
88.03953	0.4
88.07609	0.4
91.05472	0.7
93.07050	0.6
95.04941	0.4
95.08591	0.3
97.02887	5.4
97.06580	0.4
98.03162	0.3
98.97584	0.3
99.04477	1.3
101.06011	0.8
103.59608	0.3
105.01849	0.5
107.04949	0.4
107.08593	0.6
109.02882	3.6
109.06528	0.4
109.10165	0.4
113.25149	0.2
115.03912	0.5
119.04884	0.3
121.06483	0.3
122.05990	0.3
123.04392	0.6
125.05950	0.2
127.03900	4.9
132.04443	4.1
136.07564	0.4
137.05966	0.7
137.09613	0.3
139.11183	0.3
145.04973	2.6
146.06039	0.5
147.06325	0.3
151.03935	0.4
155.01602	0.5
157.12236	0.2
160.03888	0.5
162.05499	0.4
167.10620	1.2
174.05518	1.0
178.04982	49.6
179.05394	0.6
185.11676	1.3
187.05994	2.7
203.12746	0.5
205.07089	0.4
206.04472	100.0
207.04741	1.3
209.08084	0.4
218.08131	0.3
227.09142	1.0
245.10211	0.8
261.94730	0.2
264.08722	0.3
270.13177	0.3
306.09653	0.4
317.08472	0.4
327.13184	0.3
368.09738	0.5
375.74185	0.2
450.14581	0.8
451.17508	0.3
468.14911	5.3
468.20990	0.6
469.13165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	[S-(R*,R*)]-4,4'-(1,2-Ethanediyl)bis[6-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol
Peak:m/z	Relative Intensity
55.05507	2.3
57.07069	3.7
64.79842	1.2
65.54613	1.2
67.05518	2.9
69.07068	2.5
71.08635	1.9
71.59161	1.4
79.05508	6.3
81.07051	10.3
83.05011	1.2
83.08667	1.8
85.06544	1.7
85.10188	3.4
89.06032	9.6
89.31235	1.2
91.05483	2.8
93.07052	6.8
95.04959	1.6
95.08598	11.9
97.06538	3.4
97.91764	1.3
99.08098	3.9
100.87714	1.3
104.84249	1.2
105.07025	5.8
107.08585	6.3
109.06498	1.5
109.10160	10.4
111.08080	2.6
116.93095	1.1
117.06992	1.3
119.08570	12.6
121.06516	5.2
121.10149	8.2
123.08050	1.6
123.11734	2.4
125.05996	20.4
131.08586	3.7
133.08577	3.8
133.10120	20.3
135.08052	1.4
135.11723	1.8
137.13202	1.4
139.07532	26.2
139.08594	1.6
143.08556	1.7
145.10068	7.4
147.08043	1.4
147.11658	8.5
149.09630	2.5
157.10199	1.6
159.08067	1.2
159.11621	6.4
161.09653	2.9
161.13254	7.7
163.07538	1.5
165.12743	2.4
171.11671	2.4
173.09689	2.1
173.13303	4.6
174.85097	1.1
175.11226	4.8
177.09171	2.2
182.10930	1.7
187.14807	10.0
189.12759	16.2
189.14565	1.3
189.14873	1.4
189.16377	10.4
193.15840	2.0
197.13359	4.1
205.12332	1.4
205.15889	2.1
207.17406	7.4
215.14304	24.2
217.15936	2.9
219.13818	1.6
233.15350	100.0
234.15965	1.7
240.51219	1.1
241.16023	1.3
259.16937	2.4
261.18558	5.6
275.20148	1.4
287.20016	2.1
301.21716	4.0
400.92960	1.3
407.79700	1.2
421.30978	10.8
439.32034	37.6
440.32523	1.6
449.30762	3.2
467.25696	2.4
467.31717	45.7
468.32346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.05032	4.8
56.96563	0.8
60.04515	0.8
68.05020	0.6
69.03403	0.9
69.07062	0.8
70.06588	24.0
70.69207	0.4
70.75297	0.7
70.75700	0.8
71.04980	0.4
73.04045	1.2
74.06074	10.1
81.03410	0.6
82.06543	2.6
83.06084	0.5
84.04514	1.2
85.02908	2.0
87.08149	0.5
92.10247	0.4
97.02885	1.3
97.07641	6.1
98.06080	0.8
98.97576	0.7
101.07132	5.2
107.04958	0.5
110.06025	0.7
110.97553	0.4
112.07593	11.3
116.98609	0.9
119.04913	0.5
124.08730	0.6
125.07159	0.5
127.03889	0.7
128.07059	5.3
128.98592	0.5
134.99643	0.7
136.07596	0.8
137.06015	0.9
137.07074	0.5
139.03873	0.5
139.08641	0.6
140.07053	0.6
142.08687	1.0
142.09732	15.6
143.03432	0.4
143.08125	1.2
149.10715	0.6
153.10236	0.5
154.08595	1.5
157.09729	0.7
161.02922	0.8
162.05441	0.6
172.09778	0.5
177.00700	0.8
177.05487	0.5
183.07616	1.2
184.10815	4.9
185.06567	0.7
192.11414	0.5
194.12904	0.7
198.71397	0.4
208.14441	3.2
219.01741	0.5
233.06746	0.5
235.15497	0.8
237.02829	1.6
238.11957	0.5
253.16579	35.2
256.12967	0.8
266.18860	0.4
275.09744	0.5
279.04028	0.5
279.14517	0.7
293.10767	1.6
297.15540	8.8
312.20325	6.8
316.54614	0.6
323.10092	1.1
339.16550	4.2
407.13995	1.6
408.22382	26.1
409.22681	0.6
449.16901	0.4
467.26096	100.0
468.26761	1.9
468.32837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2099
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
55.01880	0.4
55.05509	0.7
56.96561	0.6
57.03432	0.6
58.85254	0.4
61.02909	0.5
65.03935	0.4
65.78098	0.4
69.03445	1.7
69.95694	1.1
69.96126	1.4
73.02917	0.6
79.05532	0.4
81.03430	1.1
81.07057	0.6
83.05001	0.8
84.96051	0.5
85.01214	0.4
85.02910	2.3
87.04472	0.4
93.07078	0.6
97.02924	1.2
98.97584	2.4
105.07044	0.5
106.30206	0.4
107.05001	0.5
109.02872	0.6
109.06534	0.8
115.10965	0.4
116.98669	1.8
119.08609	0.9
120.08181	0.4
123.04505	0.8
127.03934	1.2
131.04999	1.1
134.99683	0.9
137.05969	2.1
139.03893	0.8
145.04985	0.6
154.08722	0.6
155.09039	0.7
158.99741	0.9
161.13342	1.4
163.03943	0.4
164.07187	0.5
164.96014	0.4
167.07143	0.6
170.99644	0.6
172.09741	0.8
173.10254	0.6
177.00797	1.2
209.15460	0.5
219.01772	0.9
223.09277	0.5
230.59055	0.4
237.02733	2.6
279.14600	1.0
293.09128	2.3
297.15628	0.7
305.12469	0.5
305.15726	12.0
311.10324	0.6
323.13196	1.9
335.08130	0.9
347.13416	1.3
354.14200	0.4
365.14694	1.1
407.12219	4.0
419.38904	0.4
445.17715	0.9
449.15607	0.5
463.18735	0.6
467.21097	100.0
467.67038	0.9
468.21133	1.2
474.43182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49986	1.9
56.96557	3.9
69.03403	2.3
69.07059	2.1
69.50550	15.2
69.50956	4.0
81.03415	4.0
81.07052	2.0
85.02896	6.4
95.05022	2.5
95.08594	4.0
97.02907	3.3
98.97586	5.0
107.04971	3.1
109.10168	4.0
123.11684	2.5
127.03902	3.1
128.98590	3.0
133.02824	3.3
137.05907	3.1
141.49727	1.9
143.00172	2.0
145.05014	2.6
145.10049	2.6
146.99628	2.7
151.03902	2.0
153.01790	14.3
157.77472	1.9
163.03955	2.5
163.11168	2.1
171.02908	3.3
177.00639	2.9
179.03448	9.1
183.13789	1.8
213.42953	2.2
237.02919	6.2
305.06580	14.0
467.13208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48317	0.4
53.03938	0.4
53.35336	0.3
55.05501	0.8
56.96558	0.4
57.03426	0.8
58.63887	0.3
61.02918	0.5
67.05484	1.7
69.03414	1.5
69.07053	0.9
69.47750	0.4
69.55302	3.3
70.06584	0.6
71.04989	0.7
73.02912	0.5
79.05477	1.0
81.03400	1.2
81.07055	4.0
83.08598	0.7
83.73483	0.4
85.02914	2.8
85.06516	1.2
91.05489	0.6
93.07030	1.1
95.04958	0.5
95.08607	2.7
97.02876	1.2
97.06506	0.4
98.21531	0.8
99.08093	0.5
105.07015	0.8
107.08575	0.9
109.02902	0.5
109.06486	0.4
109.10165	1.8
116.04975	0.5
116.77085	0.4
118.06520	1.2
119.07256	0.8
119.08556	0.7
120.08097	2.5
121.10114	0.5
123.08012	0.4
123.11690	0.6
124.07574	0.7
126.09148	4.9
127.03883	1.3
131.04900	0.5
133.07544	0.4
133.10104	0.4
135.11739	0.7
136.07559	0.6
137.05957	0.9
137.13226	1.1
138.05458	0.4
143.08556	0.7
146.06023	0.7
147.11685	0.4
152.07057	1.2
158.09668	1.2
161.09514	0.4
162.05502	1.8
164.07045	2.8
167.07013	0.7
170.09641	0.4
171.10416	0.4
180.06566	2.1
181.08835	0.4
183.09238	0.5
183.17412	0.9
184.09991	0.8
185.10696	0.7
186.12764	0.5
187.12259	1.0
199.08557	0.4
203.10660	0.5
211.08693	0.5
212.09435	4.8
213.10252	3.2
213.13837	4.2
214.12305	5.1
223.12381	2.1
224.10646	0.5
225.13699	0.8
226.10916	1.8
227.08218	1.9
227.11742	0.4
228.12491	0.5
231.11273	0.7
236.09851	0.4
237.46019	0.4
241.13341	17.4
242.14015	1.1
243.14934	7.6
243.17252	0.2
251.11664	1.0
256.12009	1.0
259.14328	0.6
269.12830	100.0
270.13281	2.2
275.76944	0.4
287.13873	82.0
288.14236	1.3
299.05081	0.5
300.94922	0.4
305.14932	15.9
315.04980	1.4
439.14850	0.4
449.19205	6.4
467.09338	0.9
467.14157	3.8
467.20938	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	467.1312
Annotation	S-(p-Azidophenacyl)glutathione
Peak:m/z	Relative Intensity
55.01861	1.0
55.10213	0.8
56.96544	2.8
57.03432	1.2
67.05474	0.9
69.03407	2.3
69.07058	1.7
69.95365	4.6
72.58595	0.9
73.02905	1.0
76.64939	0.9
79.04057	0.8
81.03384	1.6
81.07018	2.9
83.08600	1.3
84.96018	1.3
85.02870	2.2
91.05428	1.2
93.07029	1.5
95.08562	2.5
97.02846	1.2
98.97549	6.5
103.05457	2.0
105.07013	1.7
107.08588	2.3
109.10172	2.1
110.97519	1.6
114.07550	0.9
116.98599	4.2
121.10181	1.2
122.03555	1.1
123.11718	1.1
124.23972	0.8
128.98534	3.7
131.04890	1.8
131.08490	1.2
133.06448	1.2
133.10153	1.3
134.99591	1.7
137.05971	6.9
139.03773	1.1
143.00172	0.9
145.10036	1.2
146.99612	3.4
147.11578	1.3
158.99654	1.8
161.01187	2.5
163.07472	2.5
167.07068	5.2
170.99573	2.2
177.00719	4.2
183.17461	1.3
189.00647	1.9
189.15190	0.9
203.02153	1.3
219.01674	3.5
237.02779	4.1
245.03105	0.9
252.09167	1.1
252.59592	1.1
253.09738	0.9
317.08044	1.0
333.04822	1.4
351.05811	2.0
444.76849	0.9
465.45184	0.9
467.13251	100.0
468.13361	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38554	0.3
57.07076	6.0
58.06607	1.7
58.06825	0.4
60.65411	0.3
61.92020	0.3
65.03936	1.6
70.06593	13.5
70.60100	1.2
71.08622	2.3
72.08134	0.5
80.31627	0.3
83.08595	0.4
85.10200	0.7
88.07630	17.3
102.09177	12.5
102.09859	0.6
120.93684	0.4
121.02847	0.7
132.10201	0.4
139.03889	1.2
146.11723	0.5
149.02344	43.6
149.03387	1.7
150.02605	0.5
176.37787	0.4
193.04964	48.3
193.14627	0.4
194.05379	0.6
237.07571	53.8
238.08011	0.7
256.26358	42.0
257.26657	0.6
300.29037	1.7
466.31647	100.0
467.32123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44939	0.2
55.50116	0.2
56.28766	0.2
56.96530	0.3
63.62975	0.2
68.99014	0.2
71.58886	0.3
75.57756	0.2
77.88848	0.2
98.49815	0.2
98.97571	0.6
116.98591	0.7
134.99649	1.3
153.00656	0.5
177.00955	0.5
192.98799	0.2
200.30084	0.2
211.00116	0.2
215.61374	0.2
216.98882	0.5
219.02036	0.4
222.97986	0.8
223.98184	0.2
234.99979	7.0
236.00081	1.0
237.00381	0.2
240.98892	1.5
241.99106	0.2
253.01007	3.2
254.01079	0.4
257.30167	0.2
258.99991	19.3
260.00067	2.0
261.00082	0.5
261.03018	0.8
261.99927	0.3
263.02939	0.3
264.98700	2.4
265.99069	0.3
273.98618	0.3
274.97736	0.3
277.01038	31.0
278.01117	3.9
279.01010	1.3
282.01483	0.4
282.99969	40.1
284.00113	5.1
284.99908	0.6
286.00150	0.3
291.99744	0.8
292.98688	0.5
295.01990	0.5
300.02658	0.9
301.01035	100.0
302.01144	12.5
303.01056	2.2
304.01022	0.6
315.02414	0.3
316.99042	0.5
319.02081	9.4
320.02249	1.2
321.48373	0.2
324.02655	5.0
325.02914	0.7
342.03564	0.4
343.02081	0.4
358.99954	0.8
360.00153	0.6
364.98758	1.3
371.16235	0.2
383.00140	0.5
401.01114	3.9
402.01279	0.8
403.01132	0.4
406.99954	5.7
408.00269	0.8
425.01154	19.5
426.01169	2.8
442.03751	0.7
443.02213	88.1
444.02350	15.2
445.02237	1.9
446.02426	0.5
446.50339	0.3
455.00946	0.4
455.50482	0.4
457.03952	0.3
461.03482	1.2
465.00351	0.2
466.03796	9.2
467.03662	2.1
468.03632	0.4
476.00754	0.3
485.02661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01864	1.9
55.05499	1.1
57.03444	4.9
57.07071	1.8
61.02929	3.1
65.03922	1.0
67.05502	4.4
68.16846	0.5
69.03426	9.0
69.07059	3.6
71.01368	0.6
71.04973	0.8
71.15395	1.3
73.02914	14.0
79.05493	8.8
81.03414	2.3
81.07054	100.0
82.07397	0.6
83.08636	0.5
85.02899	22.0
87.00864	0.6
87.04469	0.8
91.03937	0.8
91.05476	1.7
93.07036	2.8
95.04964	0.8
95.08604	18.0
97.02892	14.2
99.04462	1.1
103.03961	1.0
105.07031	1.7
107.08595	2.0
108.08975	0.6
109.02888	2.0
109.10164	3.0
111.04446	0.6
115.03934	8.9
117.07018	0.5
119.08568	1.7
121.06528	0.8
121.10181	1.3
123.04424	0.5
123.11720	0.7
127.03917	7.8
127.04803	0.8
127.11172	0.6
131.08565	0.7
133.04974	11.3
133.10139	1.8
135.08026	0.7
135.11682	0.8
137.05983	1.0
137.09613	0.8
137.13249	27.7
145.04956	11.9
145.10167	1.7
147.08160	0.6
147.11688	0.7
149.13293	0.6
150.07626	0.9
154.15938	0.6
155.14317	0.9
159.08118	0.5
159.11661	1.4
163.06044	5.8
163.07416	0.7
166.02769	0.5
171.11732	0.8
173.13246	0.6
175.14929	0.6
185.92577	0.5
193.05002	0.9
199.06133	0.6
223.06120	1.8
241.07062	2.4
257.12527	0.5
257.15387	0.7
259.08139	5.6
277.09204	1.3
295.10257	4.4
317.19568	0.8
466.12320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05504	2.6
57.03434	13.2
57.07071	2.9
61.02918	4.6
65.03921	1.2
67.05504	5.9
69.03428	16.7
69.07066	6.6
70.67439	1.4
70.67791	2.7
71.01360	1.4
73.02914	32.2
78.74263	0.9
79.05495	7.0
81.03409	2.0
81.07053	100.0
83.08598	1.0
85.02901	26.2
85.06534	1.6
87.04465	1.8
91.03913	1.3
91.05471	1.9
93.07027	4.2
95.08022	0.7
95.08601	22.4
97.02888	24.9
99.04430	1.5
105.07020	1.3
107.08584	2.6
109.02851	2.6
109.10170	3.3
111.08096	1.0
111.11726	7.0
115.03931	22.4
117.40873	1.0
121.10132	2.1
127.03915	9.3
131.04890	1.3
133.04977	8.7
134.89662	0.9
137.13252	32.1
139.03862	1.7
145.04924	9.7
147.11705	1.7
149.13242	2.2
150.07628	2.5
153.12706	1.5
155.14317	6.0
159.11737	1.3
161.09665	1.2
161.13289	1.0
163.06018	3.5
165.12726	0.9
172.17073	1.2
195.37784	0.8
223.06042	2.8
239.06628	0.9
241.07050	3.0
259.08173	4.2
269.17484	5.5
295.10361	4.5
295.42673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	2.1
55.05501	1.0
55.82425	0.4
57.03443	3.4
57.07065	0.5
59.22245	0.5
61.02915	2.8
67.05502	2.2
69.03424	8.6
69.07050	1.4
70.76849	1.3
71.04987	0.7
73.02914	13.9
79.05490	5.6
81.03426	2.1
81.07052	100.0
82.07430	0.5
83.42146	0.4
84.04471	0.4
85.02898	24.0
87.04485	1.1
91.03947	0.9
91.05486	0.8
93.07051	1.2
95.04944	0.9
95.08602	8.1
97.02886	14.8
99.04459	1.0
103.03936	1.4
105.05726	0.4
105.07027	0.7
107.08601	0.7
109.02863	2.6
109.10155	0.7
111.04425	0.5
115.03918	6.9
119.08569	0.8
121.10130	0.6
123.08052	0.4
123.11694	0.5
124.07578	2.1
127.03916	8.3
133.04962	12.6
135.11653	0.7
137.06004	1.2
137.13248	33.9
138.13560	0.7
139.03900	0.7
145.04956	11.2
146.06042	1.9
149.06030	0.5
153.05379	0.9
155.10628	0.5
163.06003	8.4
174.05522	1.0
177.62169	0.4
179.07031	0.4
181.04953	0.6
183.10254	0.7
184.97232	0.4
189.05606	0.4
193.04958	0.5
198.09782	0.6
217.07080	0.9
223.06038	2.7
241.07056	3.5
244.03772	0.8
245.04686	0.9
253.09732	0.8
259.08124	8.9
259.10654	0.6
268.07211	0.4
269.17459	0.5
269.21094	0.7
277.09222	1.9
281.09219	0.7
281.17480	0.6
285.07507	2.9
295.10263	6.6
297.12424	1.3
299.10370	1.3
299.18427	0.6
304.05304	0.5
317.19537	3.0
323.10327	0.6
330.14130	0.8
341.11371	4.3
426.09753	0.5
447.61038	0.4
466.12808	0.8
466.19940	1.4
467.13300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	15.6
55.05504	16.5
56.96555	11.6
57.03439	16.7
67.05505	36.3
67.11636	14.1
69.03431	54.2
69.07052	55.8
69.34603	10.9
70.18179	18.7
70.18523	52.4
73.02902	42.1
77.68500	12.2
79.05486	23.4
81.03418	30.0
81.07044	59.5
85.02908	100.0
91.05469	16.2
93.07031	34.2
95.04928	15.0
95.08588	74.9
97.02895	63.2
99.04436	19.8
105.07007	19.7
105.64619	12.4
106.07300	13.3
107.04954	12.5
107.08575	34.9
108.08912	17.1
109.02872	20.9
109.10155	40.9
111.04424	16.2
111.11734	18.2
115.03965	24.0
116.89143	10.4
119.04927	21.8
119.08585	31.7
121.10148	14.9
123.04455	12.9
123.11720	25.5
127.03902	47.4
131.08530	11.0
133.04941	17.6
133.10153	17.4
137.02351	17.6
137.05927	59.3
137.09546	17.1
137.13249	14.0
139.11162	32.8
145.04889	26.1
147.04419	16.0
147.11626	13.4
149.05972	16.7
151.03897	22.1
154.12245	18.3
165.12753	11.3
175.03842	18.6
183.13762	37.9
201.14861	63.5
207.06619	18.5
229.11909	12.2
230.65623	11.8
261.12454	16.6
269.17606	14.4
285.07541	17.8
303.05017	22.0
304.05292	26.4
315.85995	12.5
349.18964	11.8
466.12268	92.6
466.26404	15.9
467.12509	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	466.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50591	1.0
55.01866	1.4
62.06100	0.9
65.03923	1.4
67.05515	1.1
67.06976	0.8
69.03415	1.9
69.07054	1.4
69.80655	6.9
70.06562	1.0
71.77593	0.8
73.02880	1.2
78.04708	1.9
79.05495	2.2
79.40289	0.8
79.42075	1.0
80.18430	0.8
81.07070	1.4
85.02895	2.4
85.57755	0.8
91.05474	11.7
93.03399	3.5
93.07024	4.8
95.04942	3.9
97.02865	1.5
97.06524	1.2
99.51455	0.9
103.05454	9.1
105.03370	1.0
105.07015	3.2
106.04172	5.4
107.04952	8.2
109.06490	1.7
109.10112	1.3
117.03326	1.4
117.07009	1.0
119.04947	2.7
119.08617	1.1
121.06494	17.7
123.04433	3.2
123.08080	1.0
125.05965	2.8
131.04913	10.8
132.05704	4.9
133.02809	1.6
133.06470	1.8
134.03624	1.8
135.04411	3.0
135.07991	1.4
136.07533	1.2
137.05965	6.2
139.07553	1.1
147.08083	1.9
148.05171	4.9
149.05974	39.5
151.07536	3.1
153.05476	3.3
153.09073	2.6
155.10698	2.3
159.04431	1.1
160.05183	2.7
161.05969	100.0
163.07545	5.2
165.05447	6.9
165.06639	0.9
165.44992	0.8
167.07027	45.8
173.97165	1.0
175.07524	10.5
176.04703	1.6
177.05479	12.9
179.07013	7.0
180.07800	15.5
181.06400	1.0
181.08591	4.6
182.09399	1.9
188.04643	1.5
191.07018	19.9
191.08524	0.8
192.07805	13.9
193.08569	1.1
195.06500	6.2
195.08066	1.7
203.07018	89.8
205.08516	2.0
209.08096	21.7
210.08896	1.5
215.07040	2.7
221.08069	58.3
223.07713	1.4
224.45879	1.2
233.08099	17.7
235.07523	1.1
251.06908	1.2
253.66278	1.1
255.10098	2.4
265.08560	1.6
283.09564	3.5
295.09402	1.4
303.04837	3.5
304.05341	6.2
307.09628	1.1
315.12170	6.0
316.05200	1.3
325.11029	3.4
327.12415	3.7
337.10703	1.0
346.06558	2.0
355.11658	5.7
357.13284	29.7
369.13205	7.7
375.14420	12.4
387.14404	8.5
418.48816	1.0
448.16202	1.2
466.19952	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92823	0.7
55.01870	2.3
62.06084	1.3
69.03426	0.7
70.86582	1.7
70.86930	0.8
71.04974	0.6
73.72016	0.6
75.04459	0.9
77.83360	0.6
78.04705	1.4
79.05476	2.8
79.48263	0.6
81.07053	0.7
84.27222	0.6
85.02895	1.9
89.03913	0.8
91.05474	11.0
93.03391	2.8
93.07043	5.2
95.04953	3.4
97.02920	0.8
98.20843	0.7
99.04455	0.7
103.05462	7.6
104.06267	0.8
105.07039	2.0
106.04181	5.5
107.04956	8.5
107.08611	1.1
109.06513	0.9
114.37337	0.6
115.05499	1.0
116.98616	0.6
117.06989	1.3
118.04134	1.3
119.04962	4.5
121.06491	17.7
123.04422	2.3
124.05173	1.2
125.06001	2.6
131.04926	9.3
132.05705	4.8
133.02878	1.4
133.06448	1.6
134.03619	3.0
135.04398	2.3
135.08064	1.6
136.05199	1.1
137.05977	4.6
139.07512	0.8
147.04404	1.1
147.08005	1.2
148.05212	3.1
148.56998	0.7
149.05966	40.3
151.07516	2.3
152.04668	0.8
153.05467	2.9
153.09142	1.7
154.06232	0.8
155.07059	1.6
155.10617	1.4
159.04411	1.8
160.05179	2.9
161.05969	100.0
162.06357	1.4
163.03952	1.0
163.07536	6.2
165.05479	6.2
165.96642	0.7
167.07042	45.8
168.07425	0.9
175.07547	10.0
177.05460	13.9
177.06862	1.3
179.06995	5.6
180.07796	15.8
181.08583	5.5
182.09442	1.6
183.10216	1.0
188.04698	1.8
191.07027	21.5
192.07797	15.9
193.08630	1.6
195.06502	8.7
195.08060	1.1
203.07018	92.1
204.07327	1.0
205.08545	2.4
209.08072	23.8
209.09593	1.0
210.08841	1.7
215.07051	1.8
221.08081	53.0
223.07460	1.1
233.05792	1.3
233.08070	16.8
240.07782	0.8
242.21671	0.7
249.09335	0.7
251.06998	1.4
255.10153	1.6
265.08362	1.2
267.10266	1.0
269.13489	0.9
283.09619	3.1
287.14618	0.9
295.09741	1.3
297.11105	1.8
303.04773	1.5
304.05374	3.6
305.14996	1.0
315.12268	5.7
325.10672	2.1
327.12265	2.2
328.80576	0.7
339.12167	0.7
355.11819	5.9
357.13306	28.0
369.13367	6.4
375.14310	12.3
387.14413	7.9
448.16730	0.9
466.12418	1.4
466.19839	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.05024	5.8
56.96545	4.1
57.03427	6.3
60.04505	2.4
60.61153	2.1
67.05507	32.0
69.03426	3.8
71.61363	3.9
73.02904	7.8
74.02412	2.2
79.05488	14.0
81.03442	2.3
81.07065	14.0
82.06581	4.8
84.04499	3.9
84.08116	2.0
85.02911	19.6
91.05471	5.9
92.67430	2.2
93.07025	11.4
95.01315	6.3
95.08592	7.5
97.02899	5.1
98.97584	3.4
107.04959	6.3
107.08586	14.1
108.04511	2.0
109.02851	3.3
109.10151	24.8
110.06036	3.6
110.09667	7.5
113.31702	2.1
116.98666	5.1
117.07004	6.5
123.08034	2.7
124.11206	22.6
127.03913	5.8
129.22133	2.1
134.09645	14.2
135.08060	25.9
137.05978	30.2
141.01794	16.6
142.08653	2.5
145.02769	2.4
145.04945	3.3
146.99638	3.0
152.10699	100.0
153.05487	2.2
154.12250	3.5
170.11758	75.0
177.05437	5.7
180.10199	4.0
198.11264	20.7
226.14362	2.9
227.12669	3.0
228.15935	6.2
237.02725	4.8
244.15479	4.4
269.14063	2.5
272.14905	74.1
287.04446	3.3
290.12646	4.9
290.15970	93.1
304.13654	2.3
369.70789	2.8
448.18173	7.0
466.19467	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01871	4.5
55.05500	5.6
57.03446	14.1
61.02910	9.7
67.05499	7.6
69.03426	33.4
69.07058	11.2
69.56499	17.7
69.56905	5.5
71.01329	2.7
71.04979	10.9
73.02914	47.5
79.05492	6.7
81.03416	5.1
81.07056	14.6
83.04974	4.4
83.08651	3.0
85.02898	55.4
85.03368	5.3
85.06519	4.7
86.09688	2.9
87.04465	4.3
89.14721	2.7
91.05458	9.0
93.07044	30.1
95.04932	4.7
95.08596	13.0
97.02887	37.0
97.06541	3.0
99.04434	4.0
105.07011	8.3
107.08580	39.7
109.02861	6.6
109.06526	4.9
109.10162	4.1
115.03957	22.8
119.08568	8.8
121.02857	2.7
121.06520	4.8
121.10133	7.8
123.08044	3.2
127.03890	16.1
131.08575	4.0
133.04959	19.1
133.10130	4.8
135.08110	3.0
135.11688	42.8
137.02328	4.5
137.06027	3.6
137.09651	5.0
137.13309	2.8
145.04950	17.7
153.01846	6.8
153.12738	43.9
163.05948	4.7
165.12744	7.3
171.13802	5.7
199.16962	3.3
202.20947	3.1
207.01685	2.8
209.26585	2.7
223.06055	4.6
229.05028	5.7
241.07089	5.3
252.09364	7.2
259.08072	4.5
267.31183	3.1
285.17191	3.1
297.16635	3.4
303.01517	5.2
303.04993	100.0
304.05191	8.0
315.17950	6.5
364.62570	2.8
446.18921	2.9
465.25998	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	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51979	1.7
53.03933	2.4
55.05506	4.3
55.76665	1.6
56.16967	1.7
57.03434	2.2
61.02937	2.0
67.05499	9.8
69.03419	4.6
69.07048	3.3
69.59153	16.2
71.04980	6.3
73.02906	4.2
79.05486	7.4
81.07037	13.9
83.04956	2.3
83.08596	2.9
85.02899	8.5
85.06525	3.1
91.05476	15.3
93.07027	13.2
95.04980	9.4
95.08626	9.8
97.06511	2.2
98.21427	4.3
99.04420	2.7
103.05436	5.3
105.07004	7.1
107.04958	17.2
107.08591	4.8
109.10134	7.8
111.04406	3.3
115.05477	3.2
117.06973	2.6
119.04945	1.7
119.08542	6.0
121.02859	2.9
121.06525	13.0
121.10145	4.8
123.04446	12.2
124.05183	3.9
125.05996	3.9
128.06195	2.4
129.06976	14.4
131.04922	6.1
131.08568	7.1
133.06474	3.3
133.10185	2.7
135.04378	2.0
135.08029	4.4
135.11681	3.1
137.05966	12.2
138.05518	10.5
138.09117	4.1
140.04672	7.9
141.07001	2.7
145.06471	5.9
146.07178	2.6
147.04254	2.3
147.07986	2.9
148.05237	2.5
149.05986	3.8
151.03957	3.9
151.07573	11.9
153.01852	2.6
153.05484	8.1
155.07056	11.7
157.06491	12.2
157.07535	2.3
159.08014	3.4
161.05977	41.2
161.09615	12.7
163.07571	11.5
165.07018	2.2
165.09091	4.9
166.04982	15.3
166.06279	6.6
167.07045	65.0
167.08553	3.1
169.10098	2.0
174.06804	10.9
175.07568	11.5
177.05542	2.4
177.09096	6.3
179.07034	3.0
179.08522	3.5
181.06297	2.4
181.08597	59.7
181.10190	3.6
182.07216	3.4
187.07475	2.5
189.09105	58.7
189.16357	2.2
191.07031	6.7
195.07997	6.0
197.09648	4.6
199.16988	2.9
201.09029	2.7
203.17902	6.0
207.08293	3.6
207.10141	14.1
211.07469	2.2
212.10643	3.6
219.08101	4.7
219.10077	21.7
221.05983	3.6
221.19005	3.6
223.07570	4.0
223.11151	3.8
225.09079	8.6
227.07201	2.1
235.07405	2.8
236.08298	2.6
237.09094	2.7
239.10809	3.0
240.07823	2.8
241.08559	3.9
247.07642	2.2
251.07013	4.9
251.10692	6.0
253.08553	9.9
255.10220	3.9
256.11200	2.1
257.11963	7.5
267.19528	5.7
268.07324	2.6
270.08752	3.1
272.11493	6.3
274.09543	4.6
275.10382	2.1
275.13736	4.6
279.10107	3.1
283.09607	8.9
283.13193	5.3
285.11331	21.9
285.20560	3.9
296.10486	2.6
297.11224	3.8
299.12793	3.0
301.13727	2.2
302.11411	3.0
303.05002	31.6
303.13367	75.3
304.13669	2.7
311.12775	5.9
315.12158	12.6
317.13870	25.3
326.55502	1.9
329.13815	6.4
331.15469	6.4
343.15411	27.7
346.13968	4.4
359.14926	6.1
360.15634	25.8
361.16452	100.0
373.16364	4.1
435.20386	14.8
465.11990	11.8
465.17557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01856	0.7
57.03415	0.9
61.02917	1.3
69.03432	3.4
69.07048	2.0
69.71966	2.1
69.72380	1.5
71.04955	0.8
73.02897	1.0
79.05468	1.3
81.03410	1.1
85.02898	11.6
94.06538	2.0
96.08098	0.8
97.02884	3.8
98.21552	1.2
99.04427	0.9
100.24194	0.6
106.06543	1.1
107.04944	0.8
109.02874	1.2
110.06030	5.7
112.07575	0.6
116.04948	0.7
120.04461	8.0
121.05288	0.7
122.06007	4.5
123.04456	0.7
124.07562	5.6
127.03890	2.2
134.06013	2.6
136.07489	0.7
140.07063	9.2
141.07808	6.6
142.08621	22.2
145.04973	1.6
154.08624	2.2
162.05487	100.0
163.06076	2.1
164.07031	1.2
171.23277	0.7
189.87407	0.6
198.08987	0.7
216.10213	2.0
217.13213	0.9
243.11256	2.4
244.09647	1.9
258.11200	3.9
261.12311	11.4
267.11304	0.6
268.09601	0.6
273.07721	0.6
279.13339	4.8
285.12350	3.6
286.10712	4.1
296.29257	0.6
299.13803	0.8
303.13361	81.9
304.13712	2.2
315.13361	2.1
316.14096	1.1
321.14471	1.3
344.16302	1.0
375.15262	0.7
399.15540	0.9
411.15622	0.7
429.16550	2.1
447.17697	4.8
464.95398	0.5
465.18634	6.3
475.87674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68782	0.3
53.03936	0.7
55.01867	0.5
67.05506	1.8
68.08321	0.3
68.99780	2.4
69.07069	0.6
69.32494	4.0
77.49816	0.4
78.04691	0.4
79.05478	2.0
81.07042	1.0
91.05470	0.7
93.07033	1.0
95.04968	3.4
103.05460	0.7
105.07015	0.8
107.04946	37.1
107.08576	0.8
109.10138	0.8
115.05483	0.4
119.08617	0.4
121.02850	0.7
121.06499	0.4
121.26025	0.4
123.04420	11.4
129.06981	0.5
130.04097	0.5
131.04932	2.0
132.05713	0.9
133.10109	0.5
135.04410	0.6
135.11682	0.4
137.02376	0.9
137.05940	1.0
141.07001	0.7
145.10080	0.6
147.04384	2.7
148.05125	0.6
149.02274	0.4
149.05951	0.4
151.03894	1.2
152.06178	0.3
153.05508	0.4
153.07016	1.4
157.06483	0.8
160.05267	0.7
161.05893	0.4
165.05701	0.4
165.06989	1.3
167.07037	12.8
167.08423	0.7
168.05687	0.4
169.06474	0.8
171.08047	0.4
173.06006	0.5
176.04688	0.9
177.05460	1.0
179.08554	0.8
181.04913	0.6
181.06461	3.1
182.07191	0.5
183.08043	1.2
184.05115	0.4
187.07462	0.5
191.06999	3.2
192.07773	1.3
194.07253	0.6
195.08052	0.9
197.05914	2.1
197.09680	0.6
198.06760	1.1
198.77243	0.4
199.07513	1.4
207.08096	0.6
208.08659	0.4
209.06010	0.7
210.06757	0.9
211.07536	0.8
212.04648	3.7
213.05527	0.8
213.09016	0.5
221.05907	1.7
222.06714	0.8
223.07501	1.3
225.09061	1.2
226.06248	1.8
227.07027	2.9
227.14357	0.4
234.06836	0.4
235.07524	0.9
236.08601	0.4
237.05434	1.4
238.06224	1.1
239.06984	1.6
240.07828	0.5
241.05008	0.7
241.08612	1.3
242.05698	0.5
249.05450	2.0
250.06264	2.4
251.07022	1.4
252.07793	0.7
253.08597	3.3
254.05748	1.2
255.06479	8.2
262.06134	0.5
263.07089	0.7
264.07956	0.4
265.04919	0.4
265.08850	0.5
266.05734	1.9
267.06580	0.8
268.07047	0.7
269.08008	5.6
273.09003	0.7
275.06824	0.4
279.06583	0.9
280.07257	1.6
281.08057	10.0
283.06094	1.0
283.09601	0.6
285.08182	0.4
287.10510	0.6
293.08148	0.9
297.08957	0.4
298.08273	1.6
300.07581	0.4
301.07938	0.6
301.10733	1.6
303.04965	2.6
303.08136	0.4
311.09201	0.5
312.10059	0.7
313.10742	11.6
315.10175	0.8
317.07974	0.7
318.08820	0.9
326.09137	0.4
327.10153	0.8
329.08075	2.1
330.08817	0.4
330.12292	0.5
340.07367	0.6
341.07816	0.5
342.09009	0.7
343.09613	2.0
344.10016	0.6
345.07535	0.5
346.08206	1.2
353.07928	0.5
354.08612	0.5
355.09567	1.4
356.06775	0.6
357.07516	2.0
358.08148	0.9
358.12186	0.6
359.08984	0.5
361.10666	0.7
369.07510	0.7
370.08368	0.9
371.09134	3.0
372.09613	1.2
373.06723	0.6
373.10880	0.9
374.07733	1.1
375.12714	0.5
383.09009	0.6
385.06931	1.2
385.11099	0.7
386.07513	6.0
386.11578	0.8
387.07941	0.6
387.12424	1.9
389.09955	2.8
399.08572	0.6
400.09329	1.1
401.10159	14.5
403.11801	1.2
404.12585	1.8
407.14865	3.6
414.10880	0.5
415.11786	1.4
416.12015	2.7
417.09637	6.9
419.14896	13.3
420.11902	1.8
431.10745	0.4
432.11981	6.3
435.14362	14.2
436.14514	0.6
442.09418	0.5
447.14337	100.0
448.14896	2.9
463.66611	0.4
465.15448	19.4
465.29617	0.6
466.15466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.15673	0.3
55.01857	0.9
55.05505	2.0
57.03436	2.6
61.02934	0.8
67.05495	5.2
69.03407	0.7
69.07064	3.6
69.50134	1.2
69.50546	1.8
71.04976	1.0
73.02912	1.0
79.05489	3.0
81.03401	0.4
81.07052	16.7
83.04958	1.2
83.08621	1.7
85.02906	2.0
85.06518	1.0
87.04482	0.4
91.05473	5.0
93.07054	2.9
95.04961	0.9
95.08028	0.5
95.08595	3.9
97.02867	1.2
97.06528	1.5
99.04443	0.5
99.08078	0.9
105.07014	7.1
107.04952	1.4
107.08600	3.2
108.05774	0.4
109.02859	0.4
109.06499	1.3
109.10162	0.6
111.67749	0.4
113.06013	0.3
119.08575	6.1
121.10145	4.8
123.08057	1.0
123.11694	7.6
127.03884	0.6
127.07510	0.7
129.06931	0.5
131.08568	0.4
133.10124	1.3
135.04390	0.3
135.11711	0.5
137.05975	1.1
137.13248	0.8
139.07576	0.3
141.09099	0.4
147.11682	16.3
149.05937	1.7
153.05458	1.0
156.42787	0.4
157.10175	0.9
165.12759	7.2
167.07027	4.3
169.04720	0.4
175.11182	0.6
176.04402	0.5
183.13808	1.2
185.04211	0.6
193.12154	0.4
197.08157	0.4
201.05244	1.6
206.30933	0.4
215.06808	0.4
215.10649	0.4
216.07574	9.5
217.08345	7.8
227.05251	1.5
229.14360	3.1
267.15900	10.1
271.04221	2.4
285.16949	36.7
295.10190	0.5
299.05423	0.5
303.05011	1.3
303.11981	0.8
355.07880	0.5
363.77106	0.4
379.13455	3.7
403.13818	0.4
421.14679	29.8
422.14825	0.5
447.22217	1.2
465.13669	100.0
466.13788	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.67730	0.2
55.01859	0.3
57.03422	0.3
58.04363	0.2
61.02924	6.4
64.67942	0.2
68.99781	0.6
69.03409	0.6
70.08517	0.3
70.08943	0.7
71.04980	0.3
73.02908	1.4
81.03397	0.4
85.02897	5.4
88.96368	0.2
91.03954	3.4
93.03362	0.4
93.99020	0.2
95.04939	0.2
97.02898	3.1
97.03527	0.3
98.20831	0.2
99.04388	0.2
105.34690	0.2
109.02866	0.4
111.00804	0.6
115.03944	0.2
121.02852	1.1
123.04410	0.3
127.03911	1.1
137.02318	3.1
145.04922	0.8
149.02316	0.4
153.01819	3.7
155.04889	0.3
161.05977	0.4
163.03889	0.6
165.01823	1.9
166.02570	0.2
173.05962	0.3
178.70126	0.2
183.02864	0.6
183.04350	0.2
186.89523	0.2
187.03954	0.4
195.02914	0.2
201.05461	1.5
205.04993	0.3
219.03087	0.3
219.06519	0.2
228.04158	0.2
229.02827	0.4
229.04958	4.3
247.06017	0.8
257.04437	2.5
274.04706	0.8
285.03940	1.3
295.77740	0.2
303.04971	100.0
304.05328	3.9
319.04474	0.9
369.06903	0.2
434.22403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
55.01868	0.1
55.13464	0.1
57.03428	0.2
61.02918	0.1
67.01860	0.4
67.05459	0.1
67.41286	0.1
68.99802	0.2
69.03413	0.3
71.02690	0.1
71.04996	0.1
73.02902	0.4
80.57347	0.1
81.03401	0.2
81.07028	0.1
85.02895	0.5
85.32759	0.1
86.09656	0.1
90.59487	0.1
93.07017	0.1
95.04935	0.1
95.08583	0.2
97.02876	0.2
97.06518	0.1
98.03177	0.1
105.03352	0.1
105.07009	0.1
107.08574	0.1
109.02841	0.1
111.08065	0.1
113.09643	0.1
115.03915	0.1
115.53223	0.1
119.08595	0.1
120.08127	0.1
121.02874	0.2
121.06472	0.1
123.04398	0.1
127.03942	0.2
129.01845	0.1
133.02827	0.3
137.02330	0.1
137.05946	0.1
141.62206	0.1
145.04883	0.1
151.03897	1.2
153.01808	4.1
153.12740	0.5
161.06027	0.1
171.02893	0.7
171.13745	0.1
173.02362	0.1
173.06003	0.1
174.28468	0.1
177.01813	0.3
183.04254	0.1
187.03860	0.1
195.02922	0.2
201.05464	0.2
202.05664	0.1
203.03319	0.6
213.44077	0.1
219.02942	0.1
229.04953	0.6
235.06007	0.1
257.04404	1.5
275.05164	0.1
285.03958	0.7
285.60486	0.1
286.04428	0.1
302.04263	0.1
303.04956	100.0
304.01801	0.1
304.05289	2.2
315.04840	0.3
337.07071	0.1
345.06006	0.2
369.05914	0.1
411.07019	0.1
447.17368	0.1
465.10382	1.1
465.17133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.52022	0.2
53.03934	0.6
55.01852	0.7
57.03420	1.1
57.20949	0.2
61.02918	1.6
65.03927	0.4
68.99772	1.1
69.03430	2.9
69.51181	1.5
69.51614	0.8
73.02898	0.5
81.03415	1.8
84.66246	0.2
85.02896	9.7
87.04445	0.5
91.03934	0.9
92.59267	0.3
93.03432	0.3
97.02893	3.2
99.04423	0.9
109.02882	1.4
111.00786	0.7
121.02857	1.1
127.03908	1.9
137.01369	0.4
137.02333	3.7
145.04929	1.7
145.06477	0.4
149.02304	0.7
153.01820	4.7
161.06015	0.4
163.03914	0.8
165.01831	1.9
173.05995	0.3
183.02866	0.8
183.04362	0.5
187.03928	0.6
195.02943	0.3
201.05504	1.4
205.05032	0.3
213.05370	0.3
219.06564	0.5
228.04233	0.3
229.04938	5.0
247.05940	0.7
257.04446	3.2
258.04779	0.3
274.04764	0.8
285.03888	1.5
303.04971	100.0
304.05316	3.3
326.88611	0.3
431.97797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.9455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.5
55.28065	3.6
56.96291	6.3
56.96564	100.0
57.03434	8.3
60.04525	8.5
61.02920	11.3
69.03429	24.7
70.99980	3.6
71.01353	8.4
71.04990	8.4
71.57587	5.5
71.95257	6.2
73.02921	9.3
74.06079	5.6
81.03413	15.4
83.04980	20.4
84.04483	8.4
84.96028	33.5
85.02902	47.6
87.04485	5.7
95.04929	4.9
97.02871	40.1
98.97583	40.2
99.04453	5.2
102.97021	5.4
103.03953	3.5
110.97554	7.6
111.04427	11.0
113.00042	4.2
113.02332	4.2
115.03917	4.6
116.98628	50.3
119.01914	19.4
120.98013	5.0
126.05544	5.8
127.03942	7.2
128.98624	13.2
129.05446	4.7
131.01906	11.9
133.03445	8.1
134.99664	66.1
137.02971	9.5
138.05475	4.6
141.01846	11.7
143.00174	5.2
144.06557	4.9
145.03450	11.7
146.99643	26.7
153.00688	15.2
155.01920	7.9
157.03442	7.6
158.01294	5.3
161.01239	12.2
161.02980	5.4
165.00726	8.6
169.03529	4.2
173.02969	11.3
175.04535	7.6
177.00821	8.4
185.02936	4.3
186.99109	9.0
187.04547	7.9
189.02409	5.7
204.48901	3.9
205.00284	4.4
211.04602	4.7
219.02003	6.9
221.05177	5.7
222.89778	4.7
227.81905	4.1
232.96400	4.5
237.02655	5.4
241.05716	4.0
243.78297	4.3
258.99960	17.6
277.01047	24.1
279.00839	4.6
296.31323	4.5
307.94464	3.9
314.96378	4.0
316.93536	5.2
326.35910	4.1
345.06674	5.9
345.58817	4.6
351.22910	4.3
351.40942	3.9
356.96643	59.5
370.92102	5.8
371.91412	5.2
378.96591	4.9
384.94171	4.2
394.91946	5.6
396.88034	7.5
397.59198	4.0
401.91080	4.8
403.90851	5.4
404.93344	4.8
412.22980	6.1
412.92499	6.7
414.63202	5.3
414.89694	5.0
418.91281	34.5
436.92490	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
53.03934	3.5
55.01863	1.3
55.05509	4.3
55.58260	0.7
57.03431	12.5
57.24842	0.6
61.02927	4.8
63.14455	0.6
63.41800	0.6
65.03924	1.9
67.05499	3.7
69.03425	14.3
69.07056	5.0
71.01333	2.2
71.04964	0.7
71.60066	1.1
73.02913	32.5
73.65086	0.7
79.05489	12.6
81.03400	2.6
81.07061	4.3
83.04958	2.0
83.08617	0.9
85.02898	21.3
87.04446	3.4
91.03940	1.0
91.05476	21.7
93.07035	92.8
95.04958	7.0
95.08609	4.6
97.02882	19.1
97.06525	0.8
99.04464	1.4
103.03878	0.6
105.01825	0.7
105.04499	1.1
105.07022	11.1
107.04934	1.3
107.08586	100.0
108.08971	0.9
109.02872	2.1
109.06499	4.7
109.10154	2.5
113.74654	0.7
115.03920	14.5
117.07032	0.8
119.06069	1.2
119.08558	2.0
121.02838	1.8
121.06472	1.0
121.10136	2.8
122.38536	0.7
123.04442	1.4
123.11719	1.0
125.09633	0.9
127.03899	8.1
131.08542	1.0
132.06621	0.8
133.04944	9.7
133.10109	6.5
135.11681	43.1
136.11993	1.0
137.05991	2.2
137.09576	1.6
143.08566	0.8
145.04950	9.9
145.10135	1.3
147.11703	1.2
150.07614	3.5
150.31874	0.7
153.05498	0.8
153.12729	4.8
161.09610	0.8
162.94392	0.6
163.06018	2.3
163.14790	1.2
165.12756	1.1
171.08112	0.8
217.15848	1.3
223.06093	1.3
229.04944	1.0
241.07097	1.9
249.14964	0.8
259.08154	2.1
267.15875	1.5
282.52481	0.8
295.10358	1.5
299.05521	9.0
303.05023	2.4
325.08362	0.6
341.89859	0.8
391.97491	0.9
408.48355	0.8
464.10419	1.2
465.11804	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01855	1.5
56.96562	1.9
57.03434	12.9
59.10430	0.7
59.82980	0.7
61.02920	4.6
65.03934	1.9
67.05497	2.9
69.03429	8.4
70.44419	2.8
71.01361	1.0
71.05009	1.0
73.02915	22.6
76.73038	0.6
77.34071	0.7
79.05482	1.5
81.03419	1.9
81.07047	1.2
85.02418	1.0
85.02902	11.8
87.04476	1.8
92.05007	1.1
92.63864	0.6
96.08136	1.7
97.02887	7.3
98.97555	3.9
99.04447	0.9
106.06554	10.2
108.08112	100.0
109.02870	1.6
109.08429	0.7
110.97572	0.6
115.03926	2.6
116.98631	2.4
121.06500	0.8
122.06049	0.8
123.06799	4.1
124.07587	13.1
127.03911	3.0
128.98645	1.5
131.00198	1.1
133.04965	0.7
134.06018	11.5
134.99673	0.9
136.07571	17.0
137.08362	1.8
139.03925	0.9
140.07013	0.7
143.00159	0.7
145.04967	1.7
146.99580	0.8
148.07494	1.3
152.07057	78.5
153.07350	0.7
154.08620	2.2
158.99690	0.9
161.01302	1.0
170.05141	0.9
170.08116	24.8
170.99551	0.9
173.03000	0.9
176.07103	1.2
177.00690	1.3
177.05489	1.7
178.04900	2.4
178.90019	0.8
181.04926	0.9
182.14799	0.8
190.08614	0.8
191.02292	0.9
194.08107	0.9
219.01778	2.7
221.04898	0.7
231.07185	0.8
237.02763	5.3
248.09203	1.1
257.04965	0.9
258.96613	0.7
264.06937	1.3
284.11249	1.0
288.30817	0.6
296.11356	0.8
302.12469	1.4
308.09503	1.0
310.11301	1.9
314.12299	29.1
315.13092	0.9
323.09961	3.0
332.13388	68.4
333.13715	1.8
339.08939	0.9
365.07339	1.0
383.08301	1.0
411.04333	0.7
446.16629	9.3
464.17633	87.7
465.17557	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01862	1.5
55.05508	5.6
55.42859	0.8
57.03431	15.8
57.07053	1.6
60.53527	0.9
61.02919	8.9
65.03928	2.1
67.05502	4.8
69.03070	1.5
69.03425	19.8
69.03796	1.0
69.07068	5.5
71.01352	2.5
71.04967	1.4
71.12886	2.3
71.13227	1.2
73.02917	48.1
77.03942	1.0
79.05493	14.9
81.03410	4.5
81.07050	15.1
83.04968	2.7
85.02901	33.2
87.00848	1.1
87.04459	3.1
91.05477	22.0
93.07040	85.5
94.07346	1.8
94.35671	1.0
95.04964	6.8
95.08614	7.2
97.02890	30.1
97.06517	1.0
99.04428	1.9
103.03934	1.2
105.04496	1.3
105.07020	10.2
105.78519	1.0
107.04883	0.9
107.08589	100.0
109.02865	5.0
109.06502	5.2
109.10149	3.4
111.04458	1.1
111.29784	0.9
115.03928	25.0
119.08571	3.7
121.02888	3.0
121.06490	1.5
121.10158	6.0
123.04465	1.1
123.11704	1.3
123.58553	1.0
126.15807	0.9
127.03927	13.5
132.06537	1.8
133.04962	11.1
133.06487	1.1
133.10129	2.4
135.11687	71.3
136.11993	1.4
137.05968	3.8
138.06277	1.1
144.06488	1.2
145.04955	13.7
145.10159	2.1
147.11688	2.4
150.07622	4.6
153.05481	1.1
153.12733	10.6
157.10059	1.4
161.13255	1.5
163.06071	2.9
165.09183	1.0
165.12802	1.4
167.06981	1.5
173.05983	1.5
177.05542	1.2
179.14325	1.1
180.49165	1.0
193.04994	1.0
193.12280	1.0
197.01404	1.0
201.12685	1.1
219.13792	1.1
223.06050	3.3
241.07111	3.1
252.09378	1.3
259.08179	2.6
267.15991	2.9
271.19058	2.8
285.16980	3.3
295.10443	2.2
299.05551	11.5
303.04953	4.3
313.07187	1.0
446.23883	1.1
465.11792	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03946	3.6
55.05514	16.5
55.71967	1.7
57.03432	5.5
65.03938	4.8
67.05506	71.7
68.05872	1.8
69.07068	18.7
69.17891	1.9
71.04990	5.2
71.08626	1.9
71.58418	2.0
74.56797	1.8
75.28818	1.8
79.05491	46.7
81.03438	3.6
81.07058	95.7
82.47137	1.8
83.04971	8.9
83.08610	15.2
85.06535	6.0
91.05478	30.3
93.06463	4.1
93.07047	66.8
93.07629	4.2
95.04977	9.0
95.08598	24.7
97.06528	12.0
99.08107	3.9
105.07024	12.6
107.04940	3.2
107.08597	37.3
109.06504	2.9
109.10172	7.3
111.08093	7.7
117.07037	12.3
119.08606	7.9
121.06535	2.6
121.10137	22.7
123.11700	5.7
129.06990	3.0
131.08553	13.7
132.34706	2.0
133.10121	17.3
135.11703	15.8
139.11183	3.3
143.08629	3.9
145.10176	3.3
147.11713	3.8
149.13268	37.2
157.10153	3.1
159.11656	14.5
161.13219	2.8
163.84540	2.4
171.11601	2.4
177.12782	7.3
195.13811	20.1
211.15019	2.0
213.14914	2.5
353.24640	2.4
389.26813	2.9
400.87433	2.1
427.28659	2.4
445.29599	8.3
463.30600	100.0
464.30588	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01873	0.5
56.05031	0.8
57.03423	1.2
61.02914	0.6
66.27925	0.3
67.05492	0.5
69.03420	1.5
69.07050	1.4
69.58793	2.2
69.59205	0.5
70.06588	0.4
73.02918	2.1
75.05593	0.4
79.05470	0.4
81.03403	0.8
81.07053	0.5
83.04974	0.7
83.05618	0.5
83.06104	7.0
85.02902	4.1
85.07671	0.3
86.09706	0.3
91.05457	0.7
91.66785	0.3
94.06551	0.5
95.01310	0.6
95.04967	0.5
95.08574	0.4
97.02869	1.7
98.52695	0.3
99.04470	0.4
103.05473	0.4
105.07025	0.4
107.04956	0.4
109.02888	0.4
109.10145	0.5
111.08040	0.4
115.03934	1.3
117.05743	0.4
118.06537	0.8
119.01900	0.5
122.06023	1.3
122.07102	0.4
123.04478	0.5
125.36731	0.3
126.09084	0.3
127.03906	1.4
131.01865	0.3
131.07141	0.3
133.04990	0.5
133.06506	0.6
133.10094	0.4
134.03604	1.0
134.20085	0.3
134.46123	0.3
135.04388	1.1
137.05943	0.4
140.07047	2.4
142.08559	0.4
143.01874	0.8
145.04973	0.9
146.06003	100.0
147.06813	3.4
148.07564	2.1
151.11166	1.2
153.01833	1.6
153.05453	0.5
154.08595	0.6
155.01840	0.5
158.06079	0.4
159.06731	0.5
160.07585	1.9
161.02725	0.4
161.06001	0.5
162.05475	0.6
163.05962	0.4
167.03439	1.6
167.07059	0.7
169.13416	0.9
170.05930	0.4
172.07596	0.3
173.02959	1.3
174.05478	3.0
175.06317	1.1
176.07054	4.0
184.07655	0.4
186.05473	1.7
186.09152	1.5
188.07095	1.9
190.05011	0.9
192.06551	0.8
200.07178	0.6
202.05000	2.8
202.08598	1.8
203.07167	0.3
204.06526	0.8
205.04709	3.1
212.07059	1.4
214.04955	0.6
214.08612	1.9
216.04378	0.6
216.06512	0.7
218.08115	0.6
220.06065	0.4
224.07002	0.4
228.06560	1.1
229.05038	0.4
230.05823	0.5
230.08089	6.4
231.06514	0.8
238.04892	0.3
240.06628	0.5
241.09763	0.4
242.08107	9.9
243.08836	0.6
243.82814	0.3
244.06108	0.8
244.09541	0.8
258.05209	0.4
258.07645	1.2
259.10727	1.6
260.09152	7.8
268.06079	0.8
274.07248	0.7
275.06195	0.6
276.08658	0.5
278.10211	9.9
283.06036	1.1
285.03836	0.4
286.04758	1.2
286.07144	18.4
287.07565	0.6
287.13947	1.2
288.08713	0.7
294.77386	0.4
301.07056	24.2
301.11783	3.8
302.07397	1.1
304.08176	4.2
322.09201	17.4
343.12408	0.6
371.16171	0.8
383.16058	1.1
401.17072	0.4
403.14569	0.7
409.13876	0.5
419.18332	0.4
427.14987	9.6
428.14987	0.4
439.05084	0.3
445.16348	2.6
463.16190	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	463.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71928	0.5
57.03430	1.1
57.45839	0.4
57.94563	0.4
60.43385	0.5
60.44887	0.6
69.03422	0.8
69.07062	0.8
69.43074	4.2
73.02890	0.7
79.05474	0.8
84.08117	0.5
85.02894	2.0
93.06970	0.4
94.06563	2.5
95.04937	0.8
97.02899	0.5
98.20706	0.5
98.97575	0.7
101.02389	0.4
101.63289	0.4
108.08142	0.6
109.02885	0.5
113.09613	0.4
122.06022	5.9
127.03838	0.5
130.06467	0.9
140.07057	6.8
142.08650	1.1
145.05019	0.5
146.05997	15.4
147.06779	7.0
148.07545	3.1
151.21802	0.5
154.08609	0.6
158.05983	1.2
158.09555	0.6
159.06828	0.5
160.07570	5.6
161.05936	0.7
164.06941	0.5
168.08080	1.3
172.07538	3.2
173.08369	1.1
174.05508	14.3
174.09152	1.0
175.06284	3.6
176.07059	9.5
183.06772	1.1
184.07527	2.2
186.05542	3.4
186.09125	9.7
188.07040	4.5
190.04980	0.7
192.06503	0.6
196.07497	1.3
197.08347	0.7
198.05432	0.7
200.07040	2.0
201.07848	0.6
202.04912	1.1
202.08644	1.9
204.06586	1.5
204.10263	0.5
205.04724	8.0
212.07059	67.4
213.07861	5.7
214.05081	6.3
214.08595	20.1
215.05721	0.9
216.06549	3.4
218.08043	0.5
224.07149	2.4
225.04422	0.6
225.07793	3.0
226.08597	1.7
228.06570	2.5
229.07343	8.3
230.08101	7.2
232.09543	2.4
238.04988	4.3
240.06494	1.4
241.07367	1.3
242.08113	28.5
243.08783	1.3
244.09679	4.5
256.06055	4.1
257.06885	1.0
258.07605	3.8
260.09177	47.6
261.09665	1.1
262.10751	1.4
266.07675	0.6
268.06006	3.4
270.07727	0.7
276.08649	0.6
278.10217	100.0
279.10526	0.9
282.13251	0.6
283.13763	0.9
286.07059	5.7
287.13818	0.7
288.08621	3.1
301.06903	2.7
304.08154	10.4
322.09213	15.6
327.05090	0.9
329.14755	0.8
353.14957	7.2
355.12903	1.9
365.14981	0.8
371.15985	0.8
383.15970	1.3
397.13947	3.2
401.17105	0.9
409.13943	1.0
419.18002	1.2
427.14984	2.8
445.16138	5.1
463.15845	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	463.1233
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01868	0.4
55.05491	0.7
57.03438	4.0
69.03405	1.0
69.07049	0.5
70.03788	1.4
70.04198	0.7
71.01353	0.5
71.04988	28.4
73.02908	0.5
75.04471	0.9
81.07058	1.2
83.04977	0.8
85.02897	29.0
86.03257	0.4
87.04447	0.9
91.05494	0.6
92.02628	0.8
93.03364	0.7
93.07022	0.8
95.08585	0.6
97.02881	0.5
99.04445	0.4
100.11201	0.4
100.28736	0.4
105.07034	0.7
107.04909	0.4
107.08597	0.5
108.09631	0.3
109.02853	0.6
109.10149	0.8
111.04456	0.5
121.02867	1.2
121.06528	0.4
121.10124	0.6
127.03901	0.9
129.05469	6.7
133.10124	0.4
135.11707	0.4
137.05962	1.8
139.03893	1.0
147.06512	0.7
151.03894	0.6
153.01808	6.6
153.12767	0.6
165.01764	0.5
167.06999	0.8
179.10672	0.4
201.05661	0.6
217.04915	0.7
218.05893	0.5
222.21277	0.3
228.04115	1.4
229.04973	3.0
245.04469	0.9
246.05228	1.3
257.04419	1.7
260.03049	0.5
269.04318	0.4
271.05972	0.6
273.03958	1.4
274.04651	3.6
285.03943	3.7
301.07156	0.5
302.04196	10.2
303.04572	0.5
317.06537	100.0
318.06918	2.4
359.07526	0.5
365.77762	0.4
463.15756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.01858	0.2
55.05499	0.2
57.03421	0.3
59.98119	0.1
62.39558	0.1
67.05491	0.5
68.99803	0.3
69.03408	0.5
69.07042	0.2
70.79247	0.1
71.04990	0.2
71.62872	0.3
73.02900	0.6
73.75527	0.1
79.05492	0.2
81.03397	0.2
81.07042	0.4
85.02907	0.8
85.06535	0.2
91.05472	0.3
93.07027	0.2
95.04954	0.2
95.08594	0.4
97.02887	0.4
105.07024	0.2
107.04956	0.2
107.08557	0.2
109.02906	0.2
115.03889	0.3
119.08504	0.2
120.08089	0.2
121.10164	0.2
123.00742	0.3
123.04424	0.2
124.01594	0.3
127.03854	0.2
128.06192	0.2
131.04913	0.4
133.10060	0.2
134.03629	2.1
135.04358	0.4
137.05977	0.8
139.03874	0.3
145.04942	0.3
145.06543	0.2
149.02310	0.4
150.06447	0.2
151.07509	0.3
152.01123	0.2
153.01816	6.6
157.06436	0.4
161.05945	0.2
167.06995	0.2
170.02110	1.0
175.03937	0.2
180.16513	0.2
185.05951	0.5
187.03821	0.3
192.10213	0.2
199.03900	0.5
202.06215	0.4
211.95847	0.2
213.05453	2.1
229.04950	3.6
230.05684	2.4
241.04938	7.9
242.05272	0.4
245.08139	0.6
258.05237	1.2
269.04428	11.9
270.04810	0.4
272.07431	0.2
273.07556	0.4
285.03915	1.1
286.04694	13.2
287.05145	0.4
301.07040	100.0
302.04208	0.2
302.07388	3.1
409.16223	0.1
442.58844	0.1
445.15915	0.4
463.11472	0.3
463.16458	0.3
463.21533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.05513	0.2
57.03430	0.6
57.60210	0.1
61.02929	0.2
67.05499	0.3
69.03429	0.5
69.07071	0.2
71.04993	0.2
73.02914	1.0
73.32550	0.1
79.05486	0.3
81.07050	0.6
83.04980	0.2
83.08612	0.2
85.02890	1.0
85.06533	0.2
85.67838	0.1
86.03249	0.2
86.09730	0.2
87.04485	0.1
91.05481	0.3
93.07027	0.4
95.04947	0.3
95.08586	0.5
96.09773	0.1
97.02894	0.9
97.06559	0.1
98.03238	0.1
98.20732	0.3
100.11275	0.3
103.05478	0.1
105.07014	0.4
107.04974	0.4
107.08596	0.3
109.06502	0.2
109.10139	0.3
111.04447	0.1
111.08081	0.2
113.09590	0.2
115.03922	0.5
116.04243	0.1
119.08569	0.2
121.06491	0.2
121.10176	0.2
123.04411	0.1
123.11663	0.2
127.03924	0.4
133.06482	0.3
133.10065	0.2
135.11731	0.2
137.05986	0.6
145.04967	0.2
147.11624	0.1
149.05977	0.2
151.03806	0.2
151.07503	0.3
153.01846	0.3
157.08591	0.2
161.05942	0.2
161.13391	0.1
167.07069	0.3
213.31961	0.1
215.20119	0.2
223.06682	0.1
229.04973	0.3
229.57835	0.2
257.04535	0.3
258.05219	12.7
259.05630	0.5
286.04694	35.1
287.05063	1.0
301.07034	100.0
302.07367	3.2
309.11237	0.2
317.06476	0.3
463.12161	1.1
463.17636	0.2
463.25259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01873	0.7
56.05037	0.6
56.96567	0.7
57.03427	1.5
61.02911	1.7
69.03430	3.6
69.97377	2.8
71.04980	0.9
73.02909	1.6
79.05492	2.4
81.03427	1.7
81.07053	0.6
83.04968	0.5
85.02894	8.8
87.04460	1.7
89.06024	76.5
91.05425	0.9
93.07038	1.6
94.06570	0.8
95.04954	1.4
95.08607	1.0
97.02896	2.4
97.05263	0.5
97.06520	0.5
98.07155	0.4
98.97543	0.6
99.04453	1.2
103.05447	0.9
105.07021	15.3
107.07064	3.5
107.08584	0.8
109.02887	1.5
109.06506	1.4
109.10118	0.6
111.04455	1.0
115.03921	0.7
115.05445	0.6
119.08567	2.0
120.08126	0.7
121.06478	0.9
121.10169	0.5
122.06029	1.0
123.08048	1.2
127.03906	1.6
130.08656	1.1
131.07091	0.7
131.08521	1.3
133.06482	80.2
133.08585	39.6
133.10191	1.1
134.06828	1.9
135.08043	1.4
136.07590	1.0
137.05988	0.6
138.09135	0.7
139.03905	0.8
140.07072	0.7
145.04951	1.2
145.10146	1.2
146.05978	1.8
147.06802	0.7
147.07961	1.1
147.11554	0.6
148.07567	0.5
151.03854	0.6
151.09613	0.7
154.08586	0.5
157.10112	0.7
159.08070	0.9
159.11658	1.2
161.09630	1.0
161.13226	0.6
163.07491	0.8
164.07043	1.0
166.04903	0.6
167.07047	0.8
173.09666	0.7
174.05489	1.2
175.07526	1.7
175.11182	1.1
176.07088	1.0
177.05342	0.6
177.09074	1.1
177.11205	16.4
178.97975	0.5
186.09142	1.3
187.11105	0.7
195.12268	3.1
199.11209	0.7
201.09076	0.6
201.12764	1.1
202.53181	0.5
203.10690	1.2
205.08624	1.8
211.11234	1.0
211.97815	0.5
212.07065	4.1
214.08691	1.4
217.12234	0.7
221.13853	1.4
229.12343	0.6
230.08054	0.8
237.02881	0.6
239.14828	3.1
242.08037	4.0
246.11247	0.5
247.09654	1.7
247.13321	4.0
260.09125	4.6
262.57114	0.5
264.12488	0.7
265.14307	17.4
268.06052	0.7
278.10217	9.9
282.13455	3.0
283.17493	100.0
284.17993	1.6
301.06854	1.0
304.08154	1.1
322.09186	1.8
373.74542	0.6
462.15811	1.0
462.25555	0.8
463.16269	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34839	0.3
53.03942	0.3
55.01857	1.0
56.05027	0.3
57.03441	2.1
59.06095	0.3
60.04518	0.5
61.02916	0.8
68.50227	0.3
69.03432	1.9
69.88663	1.8
70.06563	0.3
72.43767	0.3
73.02912	3.7
79.05495	2.1
81.03428	0.5
84.04492	0.5
85.02898	3.7
86.09688	0.5
87.04453	0.5
89.06031	2.5
91.05432	0.6
95.04942	0.8
97.02896	2.8
98.97578	0.5
99.04438	0.5
103.05478	1.6
105.07025	19.5
107.04974	0.8
109.02864	0.5
109.06496	0.3
115.03909	1.2
115.05424	0.7
119.08596	0.5
121.06503	0.5
122.06045	0.4
124.07571	0.3
127.03905	0.6
131.04955	0.4
133.06482	100.0
134.06808	1.1
136.07552	1.1
137.05960	0.6
140.07051	0.4
145.05002	0.7
146.06003	0.5
147.08051	0.3
150.05435	0.4
150.07581	0.6
151.03889	0.3
151.07530	0.7
152.07016	0.3
153.01808	0.3
159.11658	0.5
161.05988	1.9
164.07065	1.1
167.07043	0.9
176.10719	0.3
177.05492	0.8
186.71965	0.3
193.08556	1.4
212.07056	0.8
219.01833	0.4
237.02837	0.4
242.04790	0.3
242.08063	0.6
247.09616	0.4
247.13278	0.7
252.05226	0.4
260.09210	1.0
264.12265	0.5
265.14343	2.7
278.10162	1.7
282.13312	0.7
283.17484	2.7
301.07260	0.7
335.61600	0.3
394.57797	0.3
455.15848	0.3
462.16449	1.6
463.16852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.01872	1.8
57.03435	14.1
59.07228	1.6
60.04522	21.9
61.02920	4.9
67.05506	1.7
69.03420	15.7
70.06586	2.7
70.66309	6.2
73.02912	42.5
74.06071	7.5
79.05486	5.8
80.99442	1.6
81.03404	5.2
81.07030	3.0
83.18886	1.4
85.02897	27.5
85.48628	1.5
86.06049	2.0
91.05468	34.3
92.18864	1.6
93.07016	2.3
94.06558	2.7
95.01331	1.8
95.04955	7.3
95.08604	2.8
97.02884	18.5
99.04505	2.2
105.07038	13.0
106.06561	5.1
107.04949	61.7
109.02869	2.1
109.06508	6.7
111.04403	2.4
115.03905	17.4
115.05431	1.8
117.05768	5.0
119.08579	2.6
120.08102	32.7
121.06522	3.1
122.06010	1.7
122.09661	4.2
123.08086	4.6
124.07572	2.7
127.03896	8.1
129.05457	2.4
132.08081	68.4
133.04959	4.3
133.06482	29.4
134.09668	1.8
137.02306	3.2
137.05991	3.0
145.05016	4.4
146.06003	53.8
147.06845	3.2
150.09134	100.0
151.07552	4.6
152.10820	2.6
159.07950	2.5
161.06053	2.1
163.06012	2.2
165.09026	3.2
166.09549	1.9
167.07037	2.4
168.10141	9.7
177.09106	1.7
179.06673	1.9
179.49043	1.7
196.07573	1.7
212.06958	2.2
214.08644	2.2
233.07999	1.9
242.08109	13.8
260.09241	4.8
268.06046	4.7
278.10208	2.5
283.15378	6.5
286.07205	9.4
301.07043	7.1
304.08182	7.0
312.14441	19.8
322.09244	6.9
324.05661	2.2
330.15317	4.0
354.06924	4.2
426.08575	3.5
427.14932	6.3
444.10123	3.3
444.18591	5.2
445.15689	2.3
462.19852	21.5
463.10010	4.5
463.17096	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	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05498	2.5
57.03432	42.3
59.04981	2.2
61.02921	15.9
64.44988	1.1
69.03424	37.7
70.47572	2.6
70.47972	2.1
71.01341	3.9
71.04988	1.9
73.02911	100.0
81.03426	3.3
81.07059	1.2
83.04986	1.2
83.08636	2.2
85.02895	62.2
87.04476	5.0
89.75741	1.1
91.03957	2.7
93.07018	1.3
95.04991	1.5
95.08611	1.7
97.02882	68.4
97.06486	1.8
97.13535	1.1
97.48452	1.0
99.04444	3.2
100.07606	1.6
100.11263	9.2
100.81882	0.9
103.03951	1.4
105.07022	2.7
107.05016	1.1
109.02869	4.1
111.04437	1.7
111.08068	1.2
113.02357	1.4
114.36172	0.9
115.03917	73.2
121.06613	1.1
123.04420	17.1
127.03903	25.9
128.07062	1.3
131.03456	1.1
133.04955	30.2
133.06499	1.7
133.10132	1.6
133.96481	1.1
137.05972	1.6
143.81299	1.1
145.04956	32.9
147.04391	1.2
150.07594	2.2
151.07524	44.1
163.06021	11.7
163.07457	1.7
175.07552	2.4
182.15424	2.7
187.07533	2.7
193.04907	1.5
210.14891	4.4
213.67731	1.3
223.06026	10.2
229.08780	1.6
241.07018	8.2
247.09691	3.5
259.08078	7.6
271.06100	1.8
295.10242	8.4
300.09506	1.4
301.06976	2.2
343.30710	1.8
389.81366	3.6
453.34470	3.6
456.35812	1.2
462.34686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01852	5.1
57.03431	41.8
61.02919	17.3
69.03424	37.0
69.49741	7.1
69.50167	4.7
71.01337	5.2
71.04987	2.1
71.83881	1.6
73.02912	100.0
81.03385	7.4
81.07023	1.5
85.02896	77.1
87.04446	3.9
88.03974	1.5
91.03953	2.2
95.04926	2.3
97.02881	70.5
99.04427	4.8
103.03938	2.4
105.07011	5.0
107.04950	7.5
109.02862	6.5
111.04474	1.7
115.03920	59.7
123.04412	12.2
127.03905	28.3
133.04951	35.0
133.06435	9.8
137.06006	1.8
145.04947	37.6
145.06122	1.8
150.07616	2.2
151.07524	35.9
163.06065	12.3
163.07397	2.7
173.06047	1.3
175.07585	2.0
181.04938	2.6
193.04924	2.5
199.06070	2.2
217.08722	1.8
223.05949	6.7
237.10951	1.5
241.07037	9.7
247.09515	1.8
259.08084	6.4
275.07697	1.5
277.09152	1.7
286.04767	2.3
295.10187	6.7
300.09494	3.2
301.07159	3.5
301.11191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05495	5.2
57.07062	1.9
67.05495	7.8
69.07065	14.7
69.30686	8.8
69.31092	4.0
71.08614	1.1
73.34960	1.2
76.10040	1.2
79.05480	6.6
81.07045	10.9
83.04972	2.6
83.08617	4.0
85.06521	2.2
87.33187	1.5
90.13650	1.5
91.05471	5.4
93.07034	12.5
95.04971	3.0
95.08598	21.7
95.09163	2.2
97.06498	2.1
97.10178	1.5
98.21452	2.5
99.08093	1.4
105.07006	8.6
107.04948	1.5
107.08589	16.8
109.06497	2.4
109.10149	14.9
111.08047	1.6
111.11726	6.8
117.07017	1.2
119.08573	12.0
121.06513	2.5
121.10119	12.9
123.08072	2.8
123.11655	7.5
125.09595	1.5
128.99144	1.2
131.08557	4.4
133.10109	13.5
135.08057	3.1
135.11682	12.1
137.09602	2.4
137.13251	2.4
143.08586	1.7
145.10114	6.2
147.08038	1.5
147.11659	7.4
149.09633	2.8
149.13258	5.5
157.10091	3.3
159.11694	4.6
161.09659	2.1
161.13269	5.5
163.11218	2.7
163.14790	2.7
167.14323	3.2
169.10052	1.9
171.11717	3.3
173.13261	13.8
175.11191	1.4
175.14789	3.4
177.12799	1.9
177.16298	3.0
179.14287	2.3
185.13309	1.4
187.14789	4.3
189.12791	3.0
189.16370	7.3
191.17950	3.4
193.12253	1.7
195.17409	19.4
199.14810	4.1
201.12560	1.3
201.16301	1.4
207.17407	1.8
209.19046	5.8
213.16394	2.8
215.14349	1.4
215.17926	1.6
221.15306	2.4
227.17958	3.5
235.17046	2.0
239.18088	2.2
249.18419	2.3
253.19553	3.5
267.21100	2.2
271.20551	2.5
276.52362	1.2
285.22186	3.5
309.32257	1.3
331.26285	2.3
383.32675	1.4
407.33096	4.5
425.28909	2.5
425.34167	32.3
443.35239	100.0
444.35416	3.6
461.29050	5.5
461.36194	1.4
482.00067	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01853	6.0
55.05509	6.9
57.03422	3.5
57.07066	3.4
61.02914	3.7
63.27699	1.2
65.26826	1.2
67.05173	1.4
67.05499	20.9
68.99782	2.6
69.03425	21.0
69.07062	12.6
69.48328	1.4
71.04983	26.5
73.02898	4.0
77.08421	1.6
79.05479	6.0
81.03414	16.0
81.07053	23.3
83.04981	3.5
83.08598	5.5
84.08134	2.0
85.02899	46.5
85.03423	2.3
85.06518	5.3
87.00820	16.6
91.05463	4.4
93.07033	14.3
94.42595	1.4
95.04929	2.7
95.08604	17.0
97.02890	14.4
97.06505	3.2
97.10181	2.6
99.04445	5.8
99.08077	4.5
103.91902	1.3
105.01863	13.1
105.07025	4.1
107.04943	2.3
107.08588	16.0
109.02863	13.2
109.10146	62.5
111.04473	1.6
111.08062	2.4
113.09634	1.9
117.01836	2.9
119.04930	2.7
119.08560	3.1
121.02847	4.9
121.10124	27.8
121.10994	1.6
123.04339	1.6
123.08063	1.6
123.11696	7.9
125.09605	4.5
125.13293	2.0
127.03908	26.3
127.11160	6.5
129.01848	2.4
129.06940	1.7
131.08521	1.5
133.10144	2.2
135.11670	8.9
136.61542	1.4
137.05981	2.3
137.13235	5.5
143.10638	2.4
145.04958	9.6
147.11639	1.7
149.13190	2.9
151.07516	1.8
151.11333	1.3
153.12750	7.1
159.02861	8.6
167.07028	3.1
177.16376	39.0
181.04907	1.5
194.17642	1.5
195.17441	80.0
199.11201	2.1
203.03366	1.7
207.02904	1.7
213.18478	100.0
214.18852	2.6
215.03395	2.1
231.04912	1.8
236.12080	1.4
266.05524	1.5
267.02817	1.5
283.06039	3.4
295.05969	12.6
299.05698	2.5
299.09097	17.7
303.19452	2.0
307.05975	3.8
309.07468	5.7
321.07486	3.5
325.07040	7.6
328.10583	1.4
333.07681	7.0
341.06454	5.3
349.07114	3.1
351.08289	2.0
353.06485	4.9
361.07013	11.0
362.07379	1.8
371.07556	4.3
379.08209	7.0
391.07782	1.6
395.07602	8.7
407.07571	5.5
407.20599	2.6
425.08740	18.7
425.21631	3.7
426.08893	2.3
443.09689	4.6
461.11972	6.3
462.12881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51070	1.3
53.03943	9.7
55.01867	14.6
55.04480	1.1
55.05508	23.2
57.03434	10.2
57.07055	4.5
59.04984	3.8
61.02927	7.6
62.18329	1.4
66.40647	1.1
67.05499	12.6
68.99773	4.1
69.03426	58.4
69.07063	49.1
70.00304	5.6
71.04990	19.0
71.08615	1.4
73.02915	10.6
79.05468	5.0
81.03413	51.0
81.07053	30.3
83.01305	1.8
83.04977	11.6
83.08609	9.2
85.02898	95.2
85.06535	18.9
87.00826	34.4
87.04443	2.1
87.36082	1.1
89.53465	1.4
91.03942	2.6
91.05460	5.0
93.07043	18.8
95.04951	2.4
95.08599	46.5
97.02894	27.5
97.06506	6.8
97.10159	14.2
99.04446	19.4
99.07475	2.0
99.08086	32.2
101.02375	1.3
103.03934	2.5
105.01863	27.3
105.07028	4.0
106.50373	1.2
107.08587	26.6
109.02875	49.3
109.06480	2.9
109.10147	25.3
111.08064	5.0
111.11715	11.7
113.09646	10.3
117.01839	5.6
119.08549	3.6
121.06441	1.9
121.10131	33.8
121.63715	1.2
123.08044	1.5
123.11731	9.3
125.09623	11.5
125.13271	2.7
125.79034	1.3
127.03905	86.7
127.11191	3.5
127.45114	1.2
129.01825	5.0
129.12744	2.1
135.11687	18.9
137.05956	2.1
137.13242	15.3
139.11194	7.8
145.04948	31.0
147.02898	6.7
147.11580	1.5
149.13240	4.8
151.14801	5.8
153.12746	21.8
157.12198	2.1
159.02882	30.8
161.13222	1.5
177.04005	3.0
177.16377	77.7
189.03854	1.7
195.17436	100.0
196.17599	1.6
213.03874	4.1
213.18480	90.5
219.17451	3.1
231.04977	20.9
237.18558	3.8
249.06180	3.3
295.09424	1.3
299.09149	4.4
303.19543	2.2
327.12109	1.5
379.78766	1.4
425.21457	2.0
461.23801	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	461.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61930	1.3
53.03940	3.4
55.01880	7.6
55.05504	8.9
57.03437	17.6
57.07059	2.5
58.36162	1.4
61.02925	3.7
65.03932	2.0
66.04666	1.6
67.01862	1.7
67.05501	28.6
69.03413	10.7
69.07064	18.6
71.01350	22.0
71.04980	4.7
71.60125	2.2
73.02914	29.5
75.04491	3.0
79.05486	21.2
81.03403	4.4
81.07050	83.0
82.82829	1.4
83.01334	4.2
83.04979	8.0
83.08612	9.2
84.55195	1.7
85.02900	53.3
85.06548	7.3
87.04447	1.8
91.05472	29.6
93.07034	13.9
95.01281	7.2
95.04970	8.1
95.08602	18.8
97.02872	16.2
97.06536	9.7
97.10178	2.0
99.00822	7.4
99.04448	3.2
99.08069	5.2
101.02366	7.2
103.03915	7.0
105.01833	1.8
105.07025	42.7
107.04945	2.6
107.07503	1.6
107.08578	18.2
109.02850	4.8
109.06519	9.9
109.10133	4.5
111.08057	3.5
113.02368	20.2
113.06016	1.8
119.08573	36.2
121.06520	1.4
121.10141	29.7
123.00774	3.1
123.08019	5.7
123.11702	34.7
125.09618	2.4
127.03914	4.1
127.07520	5.3
129.07008	2.3
131.03394	16.3
131.04942	2.6
131.08543	4.6
133.10086	5.0
137.05956	5.1
137.09550	1.7
137.13229	2.5
141.01825	18.7
143.08533	1.9
145.04958	4.4
145.10103	4.6
146.45816	1.5
147.11678	100.0
149.05911	1.8
149.09531	2.3
151.03889	3.3
151.07512	2.9
153.05409	2.0
157.10132	4.7
159.02861	6.2
159.06508	3.1
159.07948	1.7
159.11588	1.7
163.07481	1.8
165.09117	3.6
165.12738	58.6
167.07021	5.4
169.04971	4.9
175.11221	6.0
183.13823	13.9
187.06009	4.1
193.12175	7.9
195.10143	1.7
195.17398	1.9
197.04442	3.7
209.08078	2.3
211.13191	3.8
213.14874	1.5
215.05449	12.5
229.14325	35.5
267.15884	22.0
284.06769	3.0
285.16949	48.9
287.74661	1.7
299.09143	16.7
309.16901	10.1
327.17981	2.4
379.17535	4.8
397.18405	2.8
407.17084	4.3
425.17978	7.1
443.18817	4.7
443.28244	2.1
448.22342	1.6
461.20163	48.2
461.27167	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
53.98726	0.9
55.01861	2.0
55.05489	2.7
56.96547	3.3
57.03428	2.1
62.66583	0.9
67.05497	4.9
69.03419	4.6
69.07074	5.9
69.12463	0.9
71.01329	1.0
71.04996	1.5
71.60717	1.7
73.02907	1.6
73.65739	0.9
79.05476	3.2
81.03419	3.0
81.07045	9.4
83.04972	2.1
83.08632	1.4
84.08132	2.8
84.96039	2.1
85.02898	10.4
85.06526	1.9
87.00792	1.1
91.05476	5.7
93.07036	6.2
95.01321	1.0
95.04976	2.4
95.08595	6.3
97.02884	3.2
97.06491	1.2
98.97575	9.8
105.01832	1.5
105.07006	7.0
107.04963	5.7
107.08582	4.4
109.02892	2.3
109.06483	1.6
109.10146	4.5
110.97521	1.4
113.02317	1.4
115.05420	1.3
116.98614	10.3
119.08552	3.6
121.02842	1.9
121.06481	1.5
121.10124	6.3
123.04443	3.1
123.11692	4.0
125.09634	1.4
127.03901	4.1
128.98593	3.4
129.06920	1.1
131.05020	1.2
131.08548	1.5
133.10120	3.0
134.99638	6.0
135.11720	1.5
137.05946	4.6
137.09573	1.3
139.11128	1.1
140.00221	1.0
141.01807	0.9
143.04842	1.1
145.04999	1.4
146.99637	3.6
147.04411	2.0
147.11700	6.0
149.06003	1.8
149.13268	1.3
151.07516	4.4
151.11021	1.2
157.09976	1.0
158.99649	3.8
159.02853	1.3
159.11722	1.5
161.01216	2.9
161.05960	6.6
161.09633	1.1
162.99236	1.3
163.07550	1.6
165.09079	2.0
165.12781	3.1
167.07072	2.0
167.08514	1.3
170.99683	1.9
173.06027	3.2
173.13120	1.1
175.07516	2.4
175.14839	1.5
177.00700	3.9
177.05426	2.1
177.09062	1.4
177.16331	2.5
178.07797	1.0
183.08128	1.0
183.13759	0.9
187.03906	1.9
187.07581	3.0
189.00699	2.9
193.04967	1.8
195.17403	2.2
199.26192	1.0
208.01617	1.1
211.07597	1.9
213.09103	1.3
213.14868	1.8
213.18488	4.1
219.01785	2.9
237.02846	8.2
243.10124	1.4
249.02725	1.2
266.05917	1.0
284.06769	1.7
285.16895	2.9
299.09100	14.1
301.08417	1.0
313.08557	1.9
317.08252	3.7
327.10205	1.6
329.12692	1.2
331.09271	1.6
335.09158	2.3
341.12512	1.3
342.08771	2.1
343.09589	1.9
345.07663	1.3
347.13696	11.3
355.09537	1.4
359.09235	3.3
360.10129	1.0
370.15649	1.3
379.13031	1.4
383.08868	2.3
383.13052	1.3
386.11301	1.3
401.09668	1.4
401.14182	2.1
402.10626	1.5
415.15076	2.9
433.16589	9.5
443.14847	2.4
461.17645	100.0
462.17786	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1463
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.4
55.05495	0.9
56.56895	0.2
57.03409	0.6
57.07060	0.5
58.30365	0.2
59.04993	0.3
62.58453	0.2
67.05499	1.4
67.24553	0.3
68.99770	0.4
69.03420	1.5
69.07067	1.4
71.04981	0.7
71.63348	0.3
73.02914	0.4
79.05482	0.9
81.03420	1.2
81.07055	2.4
83.04984	0.5
83.08602	0.9
84.08136	2.8
85.02904	2.5
85.06520	0.7
86.09676	0.3
87.00809	0.6
91.05475	1.3
93.07034	1.5
95.04976	0.7
95.08608	3.2
97.02857	0.8
97.06528	0.6
97.10168	0.4
98.97591	0.3
99.04460	0.4
99.08073	0.5
100.11234	0.2
103.05460	0.4
105.01836	0.5
105.07021	1.0
107.04943	1.3
107.08590	2.6
109.02866	1.2
109.06538	0.4
109.10136	1.6
110.10507	0.4
111.08064	0.9
113.09635	0.3
117.06975	0.4
119.04955	0.6
119.08534	0.8
121.02842	0.5
121.10137	2.6
123.04392	0.7
123.08086	0.6
123.11695	1.0
125.05952	0.3
125.09621	0.7
127.03918	1.3
129.01772	0.3
129.06947	0.3
131.04907	0.4
133.02843	1.1
133.10109	0.9
134.03633	0.4
135.04398	0.7
135.08041	0.3
135.11694	1.4
137.05943	2.1
137.09586	0.9
137.13216	0.9
145.04910	0.5
145.10127	0.5
146.03590	0.4
147.04410	3.2
147.08000	0.3
147.11674	0.5
149.06021	0.3
149.13255	0.4
151.07524	1.8
157.10063	0.3
159.02826	0.3
159.11671	0.4
160.05167	0.5
162.03166	0.4
163.11169	0.3
165.09123	0.9
167.07059	0.7
167.31209	0.2
169.06499	0.3
175.03874	0.3
175.14771	0.7
176.15160	0.5
177.05490	1.3
177.09113	0.3
177.16420	4.3
179.06944	0.3
181.06622	0.3
184.05139	0.5
185.05939	0.6
187.03873	0.3
191.06999	0.4
193.15880	0.3
194.16212	0.3
195.02867	0.3
195.17505	1.4
196.05260	1.2
197.05974	0.5
209.05891	0.3
210.06728	2.5
211.07594	0.6
211.16917	1.6
212.17294	1.3
213.05521	1.2
213.14970	0.5
213.18689	2.0
220.05164	0.5
221.05957	1.7
231.04964	0.3
237.03087	0.4
237.05447	2.4
238.06241	8.5
239.07065	1.5
241.04955	1.9
249.05466	2.8
255.06490	1.6
256.07315	0.5
265.04880	1.4
266.05725	10.7
267.06458	4.0
269.04492	3.4
269.07578	0.4
271.09235	0.3
283.02911	0.4
283.06018	8.3
283.12820	0.3
284.06766	14.5
285.07361	0.6
285.11032	0.5
295.05862	1.4
296.06824	0.3
299.09119	100.0
300.09537	4.3
309.07568	0.4
317.08350	0.5
321.07599	0.3
325.06931	0.6
349.07126	0.4
353.06995	0.3
379.07959	0.6
397.09299	0.4
407.19736	0.2
407.63531	0.3
425.08804	0.4
425.33307	0.4
443.09988	0.4
443.28104	0.3
443.34210	0.3
454.94620	0.3
461.14081	4.4
461.19437	1.1
461.35840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.23136	0.3
51.84844	0.4
52.89170	0.3
53.84108	0.3
55.05476	0.4
57.03413	0.5
61.02886	0.3
63.60656	0.3
68.95571	0.3
69.03405	0.9
70.06570	0.9
70.69998	0.8
71.55483	0.3
72.08141	0.4
73.02891	0.5
78.12555	0.3
81.03374	0.6
81.07034	0.9
83.08601	0.5
85.02886	1.5
86.09699	0.5
91.05457	0.4
93.07014	0.9
95.08595	0.7
97.02876	0.9
105.07017	0.5
107.04944	1.2
107.08597	0.5
109.02867	0.5
109.10130	0.6
115.03975	0.4
121.10152	0.4
123.04451	0.4
127.03884	0.7
133.02831	1.1
134.03642	0.9
135.04385	0.4
135.07993	0.4
137.06015	0.8
146.03586	0.5
147.04391	2.2
158.03421	0.3
160.05231	0.5
161.05945	0.3
162.03081	0.5
167.07027	0.9
169.13371	0.4
172.48331	0.3
175.03818	0.3
175.07474	0.4
177.05507	1.2
177.12672	0.3
177.16380	0.5
181.06465	0.4
184.05209	0.8
185.05925	0.4
187.07582	0.4
196.05173	1.2
197.06020	0.6
199.07526	0.4
203.06990	0.7
209.05937	0.4
210.06754	2.7
213.05493	1.5
221.05946	1.3
222.06537	0.3
225.11113	0.4
237.05493	2.5
238.06221	9.7
239.06923	1.1
241.04993	2.6
249.05426	3.2
255.06668	1.5
256.07257	0.6
265.05035	1.7
266.05713	12.2
267.06485	4.2
269.04425	3.3
271.06061	0.5
283.05975	9.2
284.06766	15.0
285.07031	0.7
299.09113	100.0
300.09467	2.8
327.12189	0.6
461.14346	1.2
461.19797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1437
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05488	0.5
57.03431	0.6
64.54021	0.4
67.05486	0.4
68.99795	0.3
69.03423	0.5
70.28452	1.3
71.04955	0.5
73.02886	1.0
79.05467	0.4
81.03395	0.5
81.07030	0.8
82.39191	0.3
83.04964	0.4
85.02876	1.6
91.05428	0.6
91.76286	0.3
93.07024	0.9
95.04975	0.4
97.02906	0.7
97.06506	0.3
99.04403	0.4
105.06986	0.5
107.04933	2.4
107.08582	0.9
109.02876	0.6
121.02818	0.3
121.10100	0.7
124.07460	0.4
127.03856	0.7
131.04918	0.5
133.02818	1.9
134.03564	1.0
135.04420	0.9
139.07739	0.3
145.04832	0.4
146.03627	0.8
147.04382	4.9
150.03137	0.5
151.07465	0.6
157.06566	0.4
162.03149	0.8
177.05365	1.8
177.16232	0.6
181.06569	0.5
184.05153	1.0
185.05936	1.2
196.05194	1.4
197.05936	1.0
199.07535	0.6
209.05948	0.7
210.06731	4.0
211.07553	0.5
213.05418	1.7
215.07065	0.4
220.05119	0.6
221.05965	2.1
227.06888	0.8
228.07848	0.5
237.05447	3.4
238.06230	14.9
239.06982	2.2
241.04892	4.1
242.05620	0.4
249.05446	3.4
255.06445	2.8
256.07269	1.0
265.04962	2.5
266.05719	18.7
267.06464	5.5
269.04428	6.1
271.05957	0.7
283.05969	14.6
284.06760	23.7
285.07080	1.0
299.09103	100.0
300.09460	3.6
309.03958	0.4
311.05527	3.6
337.07004	1.0
341.06525	1.1
351.08817	0.5
365.06506	1.1
377.06470	0.3
383.11935	0.4
407.07590	0.7
461.14328	53.6
462.14661	2.7
476.26175	0.4
479.44128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1438
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.82521	0.1
65.03912	0.1
68.55559	0.1
69.03407	0.2
70.83697	0.4
71.50966	0.1
81.03394	0.2
83.10253	0.2
85.02889	0.4
91.05455	0.2
97.02905	0.3
107.04903	0.2
115.03899	0.2
123.04386	0.3
128.09435	0.2
134.03603	0.3
137.02309	1.7
137.05972	0.5
148.05151	1.2
151.07571	0.2
154.02609	0.2
162.03087	0.8
163.03909	0.5
163.07582	0.3
167.03386	2.5
186.42903	0.1
199.07538	0.4
210.06746	1.2
212.08395	0.2
213.05460	0.4
214.06020	0.2
225.05588	0.3
227.06992	0.4
228.07846	0.2
237.05443	6.3
238.06203	3.9
239.06909	0.3
240.07816	0.2
241.04973	0.7
243.10133	1.0
252.04105	0.4
253.04939	0.7
254.05685	0.3
255.06496	4.2
256.07318	0.2
265.04929	4.6
266.05734	7.5
267.06537	1.9
268.07281	0.5
269.04529	1.4
269.07410	0.2
283.05994	14.1
284.06726	4.4
285.07156	0.2
288.26514	0.2
299.09109	100.0
300.09467	2.5
300.71832	0.2
348.53345	0.2
354.55621	0.2
461.14310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
56.05032	0.7
57.03429	0.5
61.02922	0.7
67.05491	1.0
69.03419	2.0
70.06590	0.9
71.59590	0.4
71.59963	0.5
73.02908	0.9
74.06069	1.7
74.09707	1.0
79.05471	1.0
79.95859	0.4
81.03383	0.6
81.07047	0.8
83.04971	0.5
84.48115	0.4
85.02898	5.1
86.09688	0.5
91.05472	0.9
93.07049	0.8
95.04962	0.8
95.08593	3.3
96.08973	0.4
97.02879	2.0
97.06503	2.0
99.04436	0.8
105.07031	1.1
107.08593	0.6
109.02860	0.8
109.06534	0.7
109.10123	0.5
119.08538	1.1
121.06508	0.7
121.68891	0.3
123.08058	55.8
124.08420	0.8
127.03913	0.7
128.06172	0.4
131.08562	0.9
133.10130	0.8
134.54501	0.4
135.08084	0.8
137.05894	1.0
137.09572	0.7
139.07492	0.9
143.08537	0.6
145.04921	0.8
147.08034	1.3
147.11687	0.5
149.05984	0.5
157.10048	0.4
159.08057	1.1
159.11691	1.1
161.09676	0.7
163.07489	0.9
165.09103	100.0
166.09451	1.5
167.07033	0.9
171.11690	0.8
175.11252	0.6
177.09056	0.4
179.77185	0.4
184.08800	0.5
185.09610	0.4
187.11150	0.9
199.11115	2.0
203.10629	0.8
205.08537	1.4
205.49944	0.4
215.10645	1.0
217.12167	0.9
227.10548	0.8
232.63600	0.4
233.11678	2.9
245.11772	1.6
263.12766	27.2
264.13205	0.6
275.14252	0.5
281.13779	2.5
284.29236	0.4
299.09995	0.4
357.94638	0.4
368.02936	0.4
425.08270	0.5
443.09268	0.4
456.15607	0.4
460.18509	2.8
461.20102	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.62106	0.3
55.01873	0.9
55.05507	6.4
56.05034	4.7
56.16375	0.3
57.03417	1.3
57.07071	2.1
58.02952	1.9
60.04506	1.6
61.02904	1.2
65.03916	0.7
67.04242	0.5
67.05498	12.7
68.05022	1.9
69.03423	4.9
69.06721	0.5
69.07063	7.4
70.69659	1.4
71.04975	0.8
71.08599	0.9
71.35331	0.3
72.04508	0.9
73.02894	0.7
74.06071	0.6
75.36672	0.3
79.05054	0.7
79.05489	8.4
80.05010	2.4
81.03414	2.5
81.05794	0.5
81.07049	12.6
82.06571	5.8
83.04957	0.7
83.08605	4.2
84.08101	0.7
85.02895	9.1
85.10148	0.5
86.06046	1.4
87.04443	0.6
91.03950	0.5
91.05472	5.5
93.05745	0.7
93.07043	5.7
94.06560	5.5
95.04968	1.5
95.07332	0.9
95.08597	9.9
96.08127	4.8
97.02876	3.1
97.06493	0.4
97.10180	2.0
97.68853	0.4
98.06036	1.6
99.04423	0.7
100.07608	1.7
103.05478	0.4
105.07020	4.1
106.06534	0.5
106.39781	0.4
107.08572	3.4
108.08126	1.2
109.02862	1.1
109.10139	3.8
112.07571	0.6
114.09171	0.6
115.49225	0.4
119.08595	2.5
120.08160	0.4
121.10134	3.5
122.09638	1.5
123.11671	0.7
124.11182	0.4
127.03905	1.9
128.75726	0.4
131.08589	0.5
133.10149	2.4
135.11679	1.7
136.11201	0.9
137.13251	0.4
140.10646	0.6
145.04929	1.1
147.11682	1.0
158.54619	0.4
165.17757	0.4
191.17818	0.4
194.18942	0.6
216.69484	0.4
245.22664	1.2
250.25299	5.4
252.80927	0.4
262.25287	33.4
264.26779	4.2
280.26328	100.0
281.26587	1.4
292.26181	0.5
298.27414	6.9
322.27509	0.8
332.47571	0.4
394.29489	0.8
412.30643	1.6
424.30655	2.3
437.14484	1.1
442.31607	14.6
460.32587	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	460.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01877	0.6
55.05511	2.2
55.38552	0.3
57.03436	9.2
59.05014	0.5
60.04520	0.5
61.02930	1.2
67.05514	0.4
67.95818	0.4
69.03429	2.3
69.83884	1.9
71.01367	0.4
71.04992	58.9
72.05317	0.6
72.42713	0.4
73.02914	1.4
75.04478	3.6
77.19560	0.3
81.03417	1.6
81.07060	0.4
81.71336	0.4
83.04977	10.8
85.02904	100.0
85.06508	0.3
86.03288	0.5
86.06048	0.4
87.04464	1.5
91.03975	0.6
95.04988	0.5
95.19828	0.3
97.02891	6.8
99.04452	1.5
100.11249	0.8
101.06013	1.7
103.03983	0.6
107.04926	0.5
109.02882	1.2
109.10189	0.4
110.06036	0.8
111.04443	6.3
118.65479	0.3
127.03072	0.5
127.03925	6.3
129.05478	39.8
133.10181	0.5
144.06563	1.4
145.04956	9.5
146.08110	1.0
147.06519	5.2
159.07973	0.4
162.07617	0.8
163.06007	2.8
164.09195	3.3
180.08656	1.7
201.09044	0.9
237.07487	1.0
255.08649	1.9
261.11392	0.4
273.09567	1.6
284.06552	0.5
290.12189	0.6
299.09131	2.8
308.13315	0.8
309.11838	1.8
344.89871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76341	0.3
52.47511	0.3
53.03942	4.4
55.01869	7.5
55.02139	0.4
55.05506	0.5
55.28403	0.3
57.03436	5.2
60.04519	1.0
61.02924	4.5
64.28677	0.3
65.03957	0.5
68.99792	2.5
69.03426	23.6
69.51286	2.3
69.51702	0.6
71.01356	0.6
71.04987	3.9
73.02914	6.8
79.05499	0.9
80.05029	0.7
80.14861	0.3
81.03416	26.5
81.07031	0.3
82.03727	0.3
83.01342	0.6
85.02901	67.1
85.63076	0.3
86.03246	0.3
87.00828	25.4
87.04485	1.0
91.03954	1.5
91.05474	1.0
93.03442	0.4
95.04987	0.5
95.08592	0.6
97.02889	26.5
98.06043	1.2
99.00808	0.3
99.04448	12.1
101.02395	0.6
103.03975	0.6
103.05457	4.2
105.01862	27.4
105.07040	1.5
107.04955	7.5
108.04476	8.9
109.02875	27.9
109.10216	0.3
111.04491	0.4
115.03907	0.8
115.05473	0.6
117.01853	3.8
117.05476	0.3
117.07035	0.5
121.06545	0.5
123.00826	0.3
126.05518	4.7
127.03912	51.4
128.04277	0.4
129.01811	2.9
131.04938	1.1
135.08041	5.1
135.11655	0.3
137.05882	0.3
137.48116	0.3
139.03882	2.4
144.06621	0.4
145.04955	24.5
147.02884	2.6
148.05174	0.3
154.06242	27.3
159.02885	17.6
163.07535	25.4
165.09113	0.3
167.07062	1.7
168.06514	0.3
171.02911	0.4
177.03955	0.7
179.07082	0.4
180.07838	1.4
186.07652	0.3
188.78848	0.3
189.03979	1.1
193.08466	0.4
195.10162	100.0
196.10519	1.3
200.12839	1.0
207.10204	0.9
212.05544	0.9
213.03899	3.1
219.10262	0.7
221.08128	0.9
225.09306	0.3
230.06596	3.0
231.02666	0.6
231.04987	11.7
248.07640	6.6
249.05988	1.4
257.11865	0.4
259.05719	0.3
266.08728	2.1
285.11206	1.0
298.20187	0.5
303.12234	1.5
461.17130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3831
Annotation	Salvistamineol
Peak:m/z	Relative Intensity
55.01867	2.1
55.05513	10.9
57.07058	2.5
58.44830	1.6
67.05508	8.6
69.07071	21.3
70.87622	2.3
70.87967	4.0
79.05491	6.4
81.07056	24.9
83.04995	2.5
83.08612	10.1
91.05458	6.5
93.07037	24.7
95.04940	3.6
95.08609	51.1
97.10167	4.6
99.08068	4.5
101.06026	2.2
104.30515	1.6
105.07039	18.5
107.08595	43.3
109.10156	28.0
111.08081	4.3
111.11697	11.9
117.06992	2.9
119.08581	23.8
121.10141	39.4
123.08064	4.3
123.11689	20.2
125.09599	2.6
131.08556	3.4
133.10129	18.3
135.08034	2.3
135.11676	25.6
137.09647	2.5
137.13206	2.6
139.11111	2.0
143.08472	2.4
145.10129	11.6
145.85483	1.7
147.11670	17.0
149.13277	20.8
150.39001	1.8
157.10086	3.7
159.11685	20.0
161.13266	7.5
163.11130	1.9
163.14891	3.9
167.14326	9.4
171.11681	4.3
173.13266	8.6
175.14853	6.3
177.12720	2.8
177.16382	13.9
185.13307	4.6
187.14827	11.7
189.16322	10.4
191.14035	2.0
191.17992	4.7
193.12328	1.8
195.17429	13.8
199.14864	3.7
201.16382	27.3
203.17924	19.2
207.17479	6.7
213.16367	8.8
215.17932	7.4
217.19456	2.4
219.17459	7.3
227.17964	8.1
229.19511	4.3
233.19051	5.7
251.20071	37.9
267.21149	2.6
281.22446	3.3
283.24170	9.7
405.34988	3.9
423.36237	100.0
424.36554	3.8
441.37485	52.3
443.22595	2.0
459.30972	10.6
459.38168	35.2
481.95898	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26722	2.1
51.44533	2.1
54.08403	2.2
55.05503	6.2
57.07071	3.0
65.03931	2.1
67.05483	8.7
69.07054	13.2
69.64478	16.4
79.05489	11.3
81.07055	28.1
81.87756	2.1
82.73486	2.0
83.08566	4.6
84.20763	2.0
90.10307	2.1
91.05470	9.3
91.93079	2.2
93.07037	16.7
95.04991	3.2
95.08591	28.1
97.06527	9.4
97.10183	2.4
98.21508	2.1
105.07024	22.6
107.08582	44.7
109.06471	5.2
109.10139	23.7
119.08567	51.3
121.10135	25.3
123.08079	4.7
123.11678	4.6
125.09595	6.2
131.08507	2.4
133.10118	33.3
135.08064	3.0
135.11700	7.7
137.09552	2.9
139.07559	4.1
145.10155	4.5
147.11678	15.2
149.09602	2.9
149.13274	8.5
151.07510	4.5
153.09131	7.8
157.10054	4.7
159.11696	8.9
161.09656	2.4
161.13246	52.7
162.55626	1.9
163.14764	2.6
164.71541	2.3
165.09161	5.0
173.13208	3.7
175.14809	99.1
176.15169	2.1
177.16386	5.8
185.13231	3.8
187.11197	3.0
187.14827	3.6
191.17920	10.6
203.14348	27.4
203.17998	4.7
205.15787	3.5
207.13712	5.7
218.42168	2.4
221.15344	100.0
222.15623	2.6
228.31310	2.2
231.13745	10.2
249.14813	10.9
287.23663	4.8
314.05081	2.2
376.80969	2.7
395.33029	13.4
397.34677	5.6
423.32266	12.8
441.33517	25.7
459.30124	8.5
459.35815	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	459.3466
Annotation	Platanic acid
Peak:m/z	Relative Intensity
55.05504	11.0
57.07029	2.9
67.05503	16.8
69.07060	16.8
71.62181	5.4
78.89014	3.0
79.05469	14.6
81.07052	30.2
83.08614	7.5
89.06015	4.0
91.05476	10.8
93.07038	21.3
95.04935	5.8
95.08592	39.4
97.06513	21.2
97.10151	5.3
104.28699	3.5
105.07019	25.2
107.07951	5.2
107.08590	59.0
109.06499	5.2
109.10140	22.0
119.08568	65.9
121.10131	28.7
123.08070	3.4
123.11677	7.4
125.09607	5.9
131.08522	4.2
133.10110	30.7
135.11682	11.9
137.13205	4.2
139.07509	6.7
145.10141	7.8
147.11647	17.6
149.13240	9.1
151.07516	4.0
153.09099	8.9
157.10132	4.0
159.11652	13.6
161.09619	5.0
161.13245	75.7
163.14809	4.2
165.09103	7.3
175.14795	90.1
177.16383	6.1
185.13258	9.5
187.14699	3.3
189.16316	6.1
191.17979	30.2
203.14293	29.0
203.17912	6.4
207.13846	3.4
221.15337	100.0
231.13809	10.3
249.14824	10.9
355.25235	3.2
384.98639	3.4
395.33026	11.9
403.19928	3.3
423.31940	15.0
441.33417	34.5
442.33630	4.3
459.30066	9.3
459.34842	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3467
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.24274	2.3
53.03938	2.7
55.05491	11.6
57.07069	7.2
62.33428	2.6
62.94790	2.3
67.05479	10.7
69.07075	20.8
70.77163	8.4
71.08606	4.1
73.06530	7.1
79.05464	8.2
81.07051	32.5
83.04967	2.3
83.08586	7.2
85.06519	4.8
89.06040	6.2
91.05460	9.0
93.07045	16.0
93.07524	2.9
94.65784	2.5
95.04987	4.4
95.08603	44.5
97.06531	5.0
99.79368	2.7
105.07017	12.8
107.08595	27.8
109.06488	4.1
109.10138	27.2
111.11704	4.5
119.08566	27.1
121.06460	4.4
121.10155	21.3
123.08039	8.5
123.11681	22.3
125.09552	3.0
125.13263	4.4
131.08536	6.6
133.08568	3.4
133.10112	21.5
135.08066	21.6
135.11678	15.9
137.09624	6.3
137.13225	6.9
145.10115	12.0
147.08037	3.6
147.11691	13.2
147.52794	2.9
149.09596	9.9
149.13235	8.8
151.07478	5.9
151.11105	6.0
151.14763	3.5
157.10185	6.5
159.11655	13.2
161.09500	6.6
161.13252	12.3
163.11118	4.3
163.14748	4.2
165.12787	2.7
169.10103	3.1
171.11696	7.1
173.13251	9.6
174.87317	2.4
175.11119	4.2
175.14784	8.4
177.12701	6.1
177.16333	6.3
177.37769	2.6
179.14230	3.9
183.11555	2.8
185.13237	10.4
187.11182	59.7
187.14735	3.7
189.16364	10.4
191.10649	6.5
191.14261	2.8
191.17897	8.4
199.11037	3.3
199.14751	2.5
201.12701	8.6
201.16301	6.0
203.14255	11.3
203.17961	5.2
207.17448	8.2
211.14780	3.7
213.12781	2.7
213.16333	3.6
215.14241	7.1
215.17761	2.9
216.50797	2.9
217.19492	4.2
219.17436	15.7
227.14259	3.4
229.19385	3.4
233.18860	2.7
239.17963	4.4
257.22464	4.0
259.20435	4.0
271.46982	2.5
273.21985	7.3
285.18420	4.6
297.25546	2.4
303.19287	4.8
309.22137	3.0
311.23682	2.8
323.27463	6.9
325.25241	13.6
339.26810	8.7
340.27588	74.3
341.28360	39.2
363.30417	10.3
381.31302	9.9
383.29456	3.2
399.32495	3.4
405.31393	9.0
423.32227	24.7
441.33426	96.3
442.33572	3.3
448.81726	2.8
459.34512	100.0
460.34946	5.9
484.97650	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01860	5.3
55.05508	20.5
57.03417	4.1
65.03924	2.2
65.40705	1.1
67.05170	1.9
67.05501	26.8
69.03426	7.5
69.07054	8.8
71.04971	3.4
79.05490	25.9
81.03414	61.5
81.07053	27.2
83.04967	4.2
83.08613	15.9
84.76673	1.4
85.02899	3.8
85.06516	2.0
87.00805	1.6
91.05476	27.1
93.03402	1.3
93.07042	15.9
95.04967	22.2
95.08600	15.1
97.02895	2.9
97.06528	1.8
97.10175	10.6
103.05482	2.9
105.07027	16.7
107.04941	11.5
107.08585	13.9
109.02877	2.3
109.06520	7.2
109.10153	7.7
111.04419	2.0
111.08044	7.6
115.05417	1.8
117.07017	7.9
119.04941	2.3
119.08567	15.3
121.06506	9.3
121.10152	7.6
123.04501	2.1
123.08053	5.5
123.11687	3.4
125.09641	7.3
127.03923	1.7
128.06204	3.4
129.06999	12.8
131.04919	4.6
131.08562	14.3
133.06496	7.4
133.10124	9.2
135.08064	3.6
135.11670	5.1
137.05963	3.7
137.09575	3.4
141.06956	3.3
142.07773	2.2
143.08556	5.9
144.05751	1.5
145.06490	20.9
145.10124	5.4
147.08034	5.7
147.11679	9.0
149.09615	4.5
149.13220	3.1
151.07495	3.8
155.08559	3.9
157.06419	3.5
157.10118	8.9
159.08047	3.6
159.11595	3.8
160.85252	1.3
161.05946	2.8
161.13274	1.5
163.11145	2.3
165.09116	17.5
165.12706	1.9
167.07077	2.3
167.08543	1.9
169.06535	1.6
169.10132	3.5
171.07996	5.1
171.11693	3.8
173.09569	2.5
173.13226	2.2
175.07362	1.9
175.11220	8.7
175.14838	3.2
177.12634	1.6
179.10693	1.6
181.10103	2.6
183.08032	2.6
183.11720	1.7
185.09622	2.6
185.13260	1.8
187.11154	1.7
187.14778	1.6
189.11134	2.4
191.10736	1.5
193.12227	31.2
193.15877	4.1
195.11694	5.4
197.09732	1.5
197.13268	3.2
205.12175	2.7
209.13326	2.0
211.11255	1.5
211.13254	1.3
211.16817	2.8
213.12726	1.7
215.10715	1.4
215.14316	1.7
223.11172	1.5
227.14424	1.5
229.12239	1.4
231.13910	1.8
233.15385	3.1
235.14737	1.6
237.12689	3.0
239.50696	1.3
249.14795	5.1
255.13797	5.7
273.14807	13.1
311.16296	1.6
339.23175	4.0
349.21582	9.9
350.21848	1.8
357.24112	2.3
367.22656	25.9
385.23672	26.3
403.24594	4.7
423.25024	1.9
441.26196	5.8
441.33850	1.9
459.27362	100.0
460.27832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01837	1.7
55.05499	6.8
57.07045	1.9
59.04998	1.8
67.05497	11.3
69.03426	9.2
69.07059	8.9
69.26539	18.9
71.04991	3.8
73.02944	1.6
79.05475	3.2
81.03428	3.8
81.07043	13.6
81.55300	1.5
83.04979	7.1
83.08612	6.0
85.02908	8.8
85.06525	3.1
87.00835	3.8
87.06443	1.5
89.45432	1.5
91.05453	1.7
93.07057	8.2
95.08601	24.5
97.02898	2.3
97.06531	2.0
99.08090	3.9
105.01888	3.3
105.07043	5.0
107.08595	18.9
109.02881	2.8
109.06510	7.1
109.10151	82.5
113.09648	2.3
119.08575	27.5
121.10139	11.5
123.08029	10.4
123.11699	6.3
125.09634	2.0
127.03895	6.5
133.10126	19.8
135.11681	72.1
137.09616	15.1
139.11163	1.8
149.13242	6.0
151.11197	6.1
151.14792	12.2
151.21767	1.6
153.12717	2.9
165.16461	3.1
167.07036	1.8
175.14822	35.2
176.15164	1.6
178.71416	1.5
193.15866	48.3
194.16196	2.4
211.16916	100.0
212.17270	3.6
246.40144	1.6
270.67880	1.6
378.61850	1.6
467.13251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
54.56508	1.0
55.01853	2.0
55.05505	9.7
57.03429	2.5
57.07056	2.9
57.07329	1.0
58.73937	1.1
59.04989	1.8
59.82777	0.9
61.02921	1.5
66.01159	0.8
67.05497	18.4
69.03076	1.2
69.03424	16.6
69.07067	13.5
71.04984	3.3
71.63232	1.7
73.02901	1.9
78.70763	0.8
79.05486	4.2
81.03413	8.7
81.07054	19.0
83.04978	8.8
83.08588	6.3
84.08147	1.5
85.02421	1.4
85.02899	20.8
85.06522	5.9
87.00820	7.5
89.02750	0.9
91.05457	6.1
93.07030	9.6
95.04964	3.8
95.08604	33.4
97.02886	7.2
97.06508	1.8
97.10146	2.5
99.04460	2.0
99.08081	4.5
105.01858	7.3
105.07024	7.8
107.04939	1.2
107.08585	23.7
109.02868	9.0
109.06492	8.4
109.10148	96.8
109.40062	0.9
110.10467	1.7
111.08073	4.8
112.23359	0.9
113.09635	1.3
118.47847	0.9
118.95646	1.1
119.08572	42.5
121.06533	1.0
121.10136	14.9
122.10441	1.1
123.08060	12.7
123.11712	9.4
125.09628	2.9
127.03905	13.9
133.10120	24.1
134.10435	1.0
134.22166	0.9
135.11684	100.0
136.11990	2.4
137.05998	1.3
137.08633	1.5
137.09619	16.5
137.13213	1.3
139.11124	2.6
145.04951	4.5
145.10120	1.3
147.11627	2.7
149.09529	1.0
149.13248	6.1
151.11180	10.0
151.14815	12.1
153.12772	2.0
155.40938	0.9
159.02899	3.4
159.11533	1.1
165.09048	1.8
165.12723	1.6
165.16354	2.7
175.14818	46.4
176.15242	1.3
191.14333	1.5
193.15869	74.6
194.16327	1.9
195.17426	2.2
209.15331	1.9
211.16922	92.1
212.17273	1.3
213.03931	2.0
227.10645	1.1
231.05008	4.1
297.17117	1.4
298.64572	1.2
350.37427	1.0
385.18805	1.1
409.14282	1.1
459.10416	3.5
459.16019	1.8
459.22311	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01865	7.4
55.05505	9.7
56.96561	1.0
57.03429	9.4
57.07061	2.2
61.02927	7.2
65.03933	2.9
67.05502	41.4
67.05871	2.0
68.99783	1.8
69.03072	1.5
69.03428	22.3
69.07069	6.9
70.88192	1.0
71.04990	65.3
71.60757	1.8
73.02906	4.0
79.05489	25.4
81.03416	45.7
81.07055	55.9
83.01357	1.1
83.04984	9.9
83.08617	4.3
85.02901	32.7
85.06551	3.5
87.00832	9.2
91.03963	3.3
91.05476	21.9
91.06007	2.1
93.07038	38.0
95.01328	6.6
95.04967	17.4
95.08606	38.0
97.02882	15.3
97.06512	4.8
97.10143	1.4
99.04469	7.0
99.08102	2.7
101.02377	2.0
103.03905	2.4
103.05464	1.7
105.01863	10.6
105.07019	18.6
107.04955	27.1
107.08588	19.5
109.02879	15.0
109.06533	7.6
109.10169	8.1
111.04432	2.7
111.08065	6.3
115.05478	1.1
117.07017	13.6
117.21074	1.1
119.04941	2.9
119.08599	11.4
121.06506	10.8
121.10137	35.9
123.04452	4.5
123.08083	21.4
123.11705	33.7
125.06013	2.1
125.09664	2.1
127.03914	22.8
128.06195	1.4
129.07016	2.1
131.04955	1.6
131.08557	15.1
133.06456	2.6
133.10124	14.3
135.08066	4.3
135.11691	19.6
137.05974	4.8
137.09616	3.5
137.13196	1.2
139.03882	2.1
141.06995	4.7
143.08540	3.8
145.04959	4.4
145.06465	12.4
145.10120	7.0
147.08009	2.5
147.11682	3.5
149.09636	2.8
149.13260	12.8
151.07541	3.6
151.11177	5.4
151.14784	1.4
153.00781	1.2
154.07811	1.3
155.08537	1.5
157.10118	2.3
159.02930	1.5
159.08107	5.3
159.11690	23.5
163.11140	2.5
163.14874	1.3
165.09068	6.7
165.12756	7.7
167.07062	3.3
169.10172	7.9
173.13245	2.3
175.14856	7.1
177.12762	14.4
183.06403	1.5
186.68500	1.1
187.11186	16.1
189.09042	1.9
191.10648	2.1
193.15877	100.0
194.16179	1.3
195.12025	1.7
195.13710	7.7
197.08170	1.3
199.11272	1.4
202.61934	1.0
205.12285	7.4
206.04442	1.6
210.08661	1.3
211.16937	18.9
211.18796	2.0
213.03857	1.8
223.13263	6.0
226.15729	1.2
231.05052	2.3
235.02022	1.2
241.14336	39.2
279.15903	74.9
280.16248	2.6
297.16965	77.6
298.17346	1.9
308.10950	1.0
316.19293	1.3
325.16281	2.1
329.11380	2.8
367.17618	1.5
385.23605	2.1
399.24265	1.3
423.20090	2.9
441.21063	10.5
441.25760	1.3
459.15167	3.3
459.22150	5.6
459.27841	6.0
479.81107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.7
53.30242	1.2
55.01858	5.2
55.05508	9.6
55.93169	1.1
57.03424	5.3
57.07071	2.6
58.63856	1.1
61.02909	5.0
67.05224	1.3
67.05511	15.0
67.56155	1.1
68.99763	1.8
69.03077	1.7
69.03426	27.1
69.07066	17.4
69.67393	6.3
69.67807	1.9
70.06578	1.4
71.04978	3.7
73.02901	3.5
79.05495	11.9
81.03414	14.5
81.07052	35.1
83.04972	3.5
83.08623	5.8
85.02901	64.4
85.06538	2.2
86.09743	1.4
87.00827	25.4
91.05476	16.7
91.64476	1.2
93.07043	31.2
95.04964	7.0
95.08603	43.1
97.02888	16.3
97.06508	2.5
97.10166	3.0
98.20803	1.5
99.04443	7.3
99.08069	1.5
103.03878	1.1
105.01861	40.6
105.06295	1.9
105.07021	38.6
107.04942	1.7
107.08592	39.0
109.02875	14.5
109.06531	3.4
109.10154	28.8
109.10898	1.3
111.08089	6.3
117.07024	3.9
119.08575	78.0
119.66628	1.2
120.08918	1.9
121.06523	2.2
121.10134	19.8
123.08085	5.0
123.11715	12.6
125.09602	2.6
127.03912	35.6
129.01833	2.8
131.08571	5.6
133.10126	50.4
135.08043	1.8
135.11679	18.1
137.05972	4.4
137.09604	8.7
143.08536	1.6
145.04941	9.4
145.06544	1.7
145.10103	5.0
147.11682	15.3
149.09601	2.1
149.13258	10.5
151.03893	1.5
151.07513	2.0
151.11174	2.1
151.14766	1.6
155.10674	33.1
157.10051	1.7
159.02875	4.3
159.08028	1.7
159.11659	3.0
163.14810	6.5
165.09087	7.7
165.16431	3.3
167.07028	3.8
171.11743	1.8
173.13214	2.1
175.14822	100.0
176.15097	2.3
177.16336	2.1
189.03929	1.9
193.15869	60.3
205.12210	2.0
211.16936	11.5
226.94135	1.3
231.05000	10.0
249.06157	2.7
291.07941	1.3
318.12701	1.2
318.30466	1.3
441.20877	2.6
459.10297	2.4
459.16354	2.9
459.22003	3.2
459.28583	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	459.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77798	0.6
55.05508	1.4
56.96534	0.7
57.19814	0.6
67.05487	1.0
69.03429	1.8
69.07066	1.2
70.06587	3.0
71.04985	1.4
71.60101	0.7
72.08149	1.7
72.93752	0.7
73.02911	1.5
79.05475	1.3
81.03441	1.6
81.07045	1.6
83.04975	2.4
85.02894	4.0
85.05898	0.6
85.06526	0.8
86.09698	2.3
91.05428	0.7
93.07054	1.6
93.70370	0.6
95.08620	1.2
97.02859	1.3
103.03954	0.6
105.07027	1.8
107.04922	1.0
107.08590	2.0
109.02873	0.7
109.06535	0.6
109.10146	0.7
119.08569	1.3
121.02876	0.7
121.10102	0.9
127.03911	0.9
132.95856	1.1
135.11676	1.3
137.05989	1.4
137.09608	0.8
147.04422	0.7
149.06001	0.8
149.09625	0.9
150.96907	1.2
174.96916	2.3
175.14899	1.2
193.15948	0.6
203.05269	2.0
211.13036	3.3
227.05309	1.4
245.06299	3.9
261.04111	0.7
267.06833	1.1
289.05319	6.9
297.17761	0.6
298.09283	1.3
309.07889	4.0
327.07404	0.8
330.41739	0.6
336.92303	0.7
339.08884	11.8
351.09055	1.4
355.17456	0.8
373.18335	7.9
397.18292	2.1
415.19379	17.1
416.19617	0.8
423.25006	0.7
441.16498	0.8
459.18323	100.0
459.25256	5.2
460.18997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77798	0.6
55.05508	1.4
56.96534	0.7
57.19814	0.6
67.05487	1.0
69.03429	1.8
69.07066	1.2
70.06587	3.0
71.04985	1.4
71.60101	0.7
72.08149	1.7
72.93752	0.7
73.02911	1.5
79.05475	1.3
81.03441	1.6
81.07045	1.6
83.04975	2.4
85.02894	4.0
85.05898	0.6
85.06526	0.8
86.09698	2.3
91.05428	0.7
93.07054	1.6
93.70370	0.6
95.08620	1.2
97.02859	1.3
103.03954	0.6
105.07027	1.8
107.04922	1.0
107.08590	2.0
109.02873	0.7
109.06535	0.6
109.10146	0.7
119.08569	1.3
121.02876	0.7
121.10102	0.9
127.03911	0.9
132.95856	1.1
135.11676	1.3
137.05989	1.4
137.09608	0.8
147.04422	0.7
149.06001	0.8
149.09625	0.9
150.96907	1.2
174.96916	2.3
175.14899	1.2
193.15948	0.6
203.05269	2.0
211.13036	3.3
227.05309	1.4
245.06299	3.9
261.04111	0.7
267.06833	1.1
289.05319	6.9
297.17761	0.6
298.09283	1.3
309.07889	4.0
327.07404	0.8
330.41739	0.6
336.92303	0.7
339.08884	11.8
351.09055	1.4
355.17456	0.8
373.18335	7.9
397.18292	2.1
415.19379	17.1
416.19617	0.8
423.25006	0.7
441.16498	0.8
459.18323	100.0
459.25256	5.2
460.18997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
50.60164	0.5
53.03941	0.7
55.05508	2.9
56.96557	0.6
57.03448	0.9
57.07056	1.0
61.02940	0.7
66.65797	0.5
67.05504	4.3
69.07063	3.6
69.73249	4.0
71.05006	1.0
79.05505	2.3
81.07056	7.6
83.04990	2.2
83.08620	2.2
91.05486	2.7
93.07032	6.4
95.04966	2.0
95.08594	12.4
97.06516	0.9
97.10174	1.0
98.21401	1.2
105.07021	7.2
107.08581	11.3
109.06539	1.5
109.10155	6.5
111.08097	1.1
111.11708	0.7
115.44524	0.5
117.07021	1.0
119.08569	8.1
121.06519	1.4
121.10133	8.9
123.08092	1.5
123.11694	7.6
125.09632	1.0
129.07019	0.8
131.08560	2.0
133.10130	8.5
135.08049	4.3
135.11685	9.6
137.09610	1.5
137.13203	1.4
139.07515	0.9
143.08582	1.1
145.10083	4.1
147.08022	1.1
147.11697	4.3
149.09627	5.2
149.13275	2.9
151.57707	0.7
157.10104	2.8
159.11671	4.3
161.09637	1.9
161.13249	3.9
163.11165	1.5
163.14780	1.3
165.12662	0.6
169.10155	0.6
171.11732	1.6
173.13231	3.1
175.11250	1.7
175.14830	3.1
177.16425	3.1
183.11716	1.0
185.13229	1.3
187.11156	1.1
187.14839	3.1
189.12656	0.7
189.16415	4.3
191.17937	1.1
199.14835	1.2
201.12781	0.8
201.16473	2.4
203.18077	0.7
205.15897	1.0
207.17566	1.0
213.16443	1.1
215.14404	0.8
217.15953	0.9
231.17508	1.7
235.16949	3.8
243.17456	0.9
253.19545	0.9
259.20480	0.7
267.21313	0.8
285.22070	1.4
303.23227	2.0
439.32083	2.3
439.36865	1.0
457.36871	100.0
458.30615	0.7
458.37030	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	457.3675
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.82773	0.7
55.05495	3.1
57.07063	1.7
58.83207	0.8
67.05503	4.5
69.06284	0.8
69.07072	6.5
70.06549	1.0
70.55232	1.5
71.08637	1.0
79.05490	2.6
81.07059	9.1
83.08613	2.4
85.09173	0.7
91.05470	3.4
93.07047	7.5
95.04977	1.5
95.08603	13.2
97.10162	1.1
105.07019	6.6
107.08598	12.0
107.42046	0.8
109.06481	1.2
109.10150	10.7
111.08039	0.9
111.11710	1.4
117.07022	1.1
119.08584	9.1
121.06439	1.0
121.10147	12.7
123.08043	1.2
123.11679	6.5
131.08577	2.4
133.10126	23.1
135.08054	4.4
135.11703	11.7
137.09656	4.5
137.13239	3.7
143.08563	1.1
145.10110	5.5
147.08101	1.6
147.11699	7.2
148.91257	0.8
149.09619	2.6
149.13248	6.9
157.10152	2.3
158.10936	0.8
159.08046	0.9
159.11707	5.1
161.09595	1.8
161.13229	5.1
161.51010	0.8
163.11139	2.0
163.14804	2.1
169.10150	0.8
170.10887	0.8
171.11650	2.2
172.12407	1.5
173.09712	1.9
173.13287	6.6
175.11234	2.0
175.14784	4.6
177.16367	1.6
183.11696	1.5
185.13190	2.1
187.14838	6.9
189.12695	1.4
189.16408	5.2
191.17947	1.8
197.13223	1.5
199.14777	1.9
200.20023	1.8
201.12682	1.0
201.16460	1.6
201.20340	1.0
203.14276	1.3
203.17986	1.8
209.13133	0.7
211.14870	1.7
213.16451	2.2
215.14316	5.2
215.17880	0.9
217.15874	1.7
219.17274	1.8
241.15880	1.0
255.21161	1.1
259.20590	2.2
265.19510	2.2
273.22156	1.4
283.20523	3.7
283.26529	1.2
284.26669	1.3
297.22021	1.0
313.25311	3.2
336.70850	0.8
365.28241	1.0
393.35541	1.0
403.33493	5.0
421.34641	100.0
422.35080	6.1
439.35770	54.6
439.40762	0.8
440.35919	3.6
457.35580	7.9
457.44424	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3672
Annotation	Melilotigenin C
Peak:m/z	Relative Intensity
55.05494	3.1
56.66262	0.9
57.07057	2.7
67.05495	4.8
69.03427	1.9
69.06714	0.9
69.07067	10.2
70.22648	2.5
70.23062	1.5
71.04977	0.9
79.05481	2.4
81.07054	12.7
83.08613	3.4
87.06365	0.7
91.05468	2.2
93.07045	6.0
95.04959	3.5
95.08604	22.1
97.10156	1.4
98.21452	1.3
99.62034	0.9
105.07029	8.3
107.08594	14.3
108.27264	0.8
109.06528	3.3
109.10150	11.7
111.08073	1.0
111.11696	1.5
119.07790	1.5
119.08573	17.8
119.15155	0.7
121.06487	1.7
121.09306	1.5
121.10135	17.7
121.93536	0.9
123.08062	4.5
123.11726	7.5
125.13244	1.0
131.08578	2.7
133.10124	20.7
135.08051	4.7
135.11687	10.7
137.09607	2.4
137.13286	8.0
143.08527	2.5
144.09251	0.9
145.10117	9.3
147.08037	1.8
147.11674	7.3
149.09564	3.4
149.13243	7.1
151.14720	1.0
157.10091	3.3
158.59404	0.9
159.08034	1.2
159.11679	6.8
159.19676	0.8
161.09602	4.4
161.13255	14.8
163.11143	2.3
163.14777	1.3
165.12799	3.9
169.10156	0.9
171.11626	4.2
173.09569	1.5
173.13290	5.6
175.11156	1.5
175.14792	13.1
177.12755	3.0
177.16411	2.0
183.11659	1.6
185.13216	4.1
187.11140	1.4
187.14803	12.5
189.12766	2.4
189.16370	8.0
191.17921	3.0
193.12195	3.7
193.15868	2.5
195.11752	1.5
197.13277	1.3
199.11099	1.6
199.14781	2.3
201.12671	1.5
201.16359	2.6
203.14345	4.8
203.17982	1.6
205.15933	1.6
211.14966	1.8
213.12691	2.0
213.16356	2.8
215.14330	10.0
215.17891	1.8
217.15929	2.5
217.19449	1.2
219.17438	1.5
221.13139	1.2
223.14804	1.3
225.16304	1.8
227.14372	1.4
227.17908	1.5
229.19588	1.3
231.17389	2.6
231.21010	1.0
233.18947	1.5
235.46722	0.9
239.17972	1.6
241.19389	1.4
243.17409	1.7
243.21143	1.4
245.18948	1.5
245.22636	1.1
249.11516	0.9
253.19437	1.0
255.21030	2.0
257.19150	1.1
259.20572	3.0
265.19522	4.2
273.22037	2.2
283.20532	3.7
283.23492	0.9
299.23788	2.1
301.18256	0.9
307.24225	1.1
313.25305	1.2
323.18109	0.9
339.26801	1.1
351.30594	1.2
367.29840	2.0
369.31564	4.2
373.28912	0.9
375.30643	1.0
377.31897	2.1
393.35367	1.5
403.33646	7.8
411.32602	6.0
421.34634	100.0
422.34808	4.5
439.36166	57.6
440.36066	3.6
457.33032	29.6
457.36996	14.9
457.44931	1.6
458.33508	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	457.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
56.66262	0.9
57.07057	2.7
67.05495	4.8
69.03427	1.9
69.06714	0.9
69.07067	10.2
70.22648	2.5
70.23062	1.5
71.04977	0.9
79.05481	2.4
81.07054	12.7
83.08613	3.4
87.06365	0.7
91.05468	2.2
93.07045	6.0
95.04959	3.5
95.08604	22.1
97.10156	1.4
98.21452	1.3
99.62034	0.9
105.07029	8.3
107.08594	14.3
108.27264	0.8
109.06528	3.3
109.10150	11.7
111.08073	1.0
111.11696	1.5
119.07790	1.5
119.08573	17.8
119.15155	0.7
121.06487	1.7
121.09306	1.5
121.10135	17.7
121.93536	0.9
123.08062	4.5
123.11726	7.5
125.13244	1.0
131.08578	2.7
133.10124	20.7
135.08051	4.7
135.11687	10.7
137.09607	2.4
137.13286	8.0
143.08527	2.5
144.09251	0.9
145.10117	9.3
147.08037	1.8
147.11674	7.3
149.09564	3.4
149.13243	7.1
151.14720	1.0
157.10091	3.3
158.59404	0.9
159.08034	1.2
159.11679	6.8
159.19676	0.8
161.09602	4.4
161.13255	14.8
163.11143	2.3
163.14777	1.3
165.12799	3.9
169.10156	0.9
171.11626	4.2
173.09569	1.5
173.13290	5.6
175.11156	1.5
175.14792	13.1
177.12755	3.0
177.16411	2.0
183.11659	1.6
185.13216	4.1
187.11140	1.4
187.14803	12.5
189.12766	2.4
189.16370	8.0
191.17921	3.0
193.12195	3.7
193.15868	2.5
195.11752	1.5
197.13277	1.3
199.11099	1.6
199.14781	2.3
201.12671	1.5
201.16359	2.6
203.14345	4.8
203.17982	1.6
205.15933	1.6
211.14966	1.8
213.12691	2.0
213.16356	2.8
215.14330	10.0
215.17891	1.8
217.15929	2.5
217.19449	1.2
219.17438	1.5
221.13139	1.2
223.14804	1.3
225.16304	1.8
227.14372	1.4
227.17908	1.5
229.19588	1.3
231.17389	2.6
231.21010	1.0
233.18947	1.5
235.46722	0.9
239.17972	1.6
241.19389	1.4
243.17409	1.7
243.21143	1.4
245.18948	1.5
245.22636	1.1
249.11516	0.9
253.19437	1.0
255.21030	2.0
257.19150	1.1
259.20572	3.0
265.19522	4.2
273.22037	2.2
283.20532	3.7
283.23492	0.9
299.23788	2.1
301.18256	0.9
307.24225	1.1
313.25305	1.2
323.18109	0.9
339.26801	1.1
351.30594	1.2
367.29840	2.0
369.31564	4.2
373.28912	0.9
375.30643	1.0
377.31897	2.1
393.35367	1.5
403.33646	7.8
411.32602	6.0
421.34634	100.0
422.34808	4.5
439.36166	57.6
440.36066	3.6
457.33032	29.6
457.36996	14.9
457.44931	1.6
458.33508	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	457.3672
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
52.11270	0.3
53.03953	0.3
55.05495	1.9
57.03423	0.3
57.07061	0.7
58.65993	0.3
59.04976	0.3
66.04934	0.3
67.05496	3.1
69.03410	0.6
69.07067	3.0
70.79676	0.4
70.80010	0.6
71.04995	0.4
73.06561	0.5
79.05465	2.0
81.07045	6.0
83.04967	0.9
83.08596	1.5
91.05453	1.7
93.07039	4.5
95.04947	1.1
95.08595	10.1
97.06501	0.9
97.10175	0.7
99.08085	0.6
105.07018	4.2
107.04973	0.4
107.08582	7.9
109.06525	1.3
109.10139	7.5
111.08072	1.3
111.11717	0.7
117.06970	0.4
119.08562	6.8
121.06496	1.4
121.10129	7.5
122.10499	0.3
123.08061	1.6
123.11689	5.0
125.09628	0.3
131.08559	1.4
133.06537	0.3
133.10110	7.0
135.08049	4.3
135.11664	5.4
137.09641	0.9
137.13257	1.7
139.11194	0.5
143.08586	0.5
145.06477	0.3
145.10077	2.6
147.08061	0.7
147.11681	5.0
149.09599	5.2
149.13240	3.0
151.11189	0.6
151.14812	0.5
157.10121	1.5
159.08009	0.5
159.11696	2.8
161.09637	1.4
161.13266	2.7
163.11223	1.1
163.14825	1.2
167.14340	0.6
169.10037	0.5
171.11681	1.6
173.09689	0.4
173.13249	2.3
175.11192	1.6
175.14778	2.5
177.12794	0.8
177.16373	1.2
179.14287	0.4
183.11678	0.6
185.13287	1.4
187.11195	0.7
187.14790	2.0
189.12733	1.0
189.16376	4.6
191.14282	0.4
191.17938	0.8
193.15906	0.5
197.13229	0.5
199.14787	0.9
201.12779	0.9
201.16451	1.4
203.14291	1.8
203.17943	1.4
205.16035	0.6
207.17404	1.0
211.14757	0.8
213.16396	0.8
215.14299	0.6
215.18010	0.9
217.15884	1.0
219.17503	0.3
223.14801	0.4
227.17873	0.7
229.15829	0.5
229.19548	0.6
230.24899	0.3
231.17496	1.0
233.15434	0.4
235.16879	5.2
241.19530	1.0
243.20915	0.4
245.19017	0.6
249.14897	0.7
253.19513	0.6
255.21062	0.5
257.22531	0.4
259.20465	0.7
267.21100	0.7
271.20334	0.4
273.22073	0.4
283.24109	0.3
285.22095	0.9
289.21890	0.3
303.23126	1.5
317.24976	0.4
337.27417	0.6
421.34561	1.2
439.36667	1.6
457.36768	100.0
458.37119	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Gummosogenin
Peak:m/z	Relative Intensity
53.03938	2.1
55.05506	10.3
57.07075	7.6
67.05495	13.3
69.07070	21.3
70.06592	2.1
71.06258	2.6
71.06578	1.6
71.08621	3.4
74.36600	1.8
79.05492	5.3
81.07056	30.3
83.04984	3.1
83.08616	9.0
88.07619	2.8
91.05468	8.1
93.07038	15.0
95.04955	3.0
95.08604	50.1
97.06544	3.6
97.10143	3.7
105.07031	16.3
107.08588	27.3
109.06516	5.4
109.10148	32.3
109.10822	2.8
111.08102	3.5
111.11712	4.8
117.07094	2.0
119.08575	28.5
120.79510	1.8
121.06482	10.1
121.09294	2.8
121.10131	22.9
122.51105	1.7
123.08036	7.4
123.11712	14.7
125.13310	2.5
131.08540	8.4
133.10123	26.2
134.10512	1.5
135.08049	8.4
135.11668	18.0
137.09645	7.2
137.13240	7.9
143.08502	2.6
145.10114	11.6
147.08083	4.1
147.11684	19.5
149.09622	4.7
149.13246	6.7
151.11206	2.6
151.14757	2.2
157.10126	7.0
159.11685	12.5
161.09622	4.0
161.13223	11.6
163.11148	3.3
163.14796	6.9
169.10159	2.4
171.11710	6.0
173.13235	8.0
175.11157	2.7
175.14838	9.2
177.16422	2.8
183.11728	3.2
185.13290	2.9
187.14783	9.0
189.12688	2.5
189.16365	22.4
191.14279	2.8
191.17964	3.7
199.14838	9.2
200.20169	6.0
201.16443	5.0
201.20430	3.3
203.14325	3.3
203.17915	3.0
205.15776	2.7
207.17393	13.6
213.16396	5.5
215.14294	2.6
215.17992	5.0
217.15872	22.7
217.19379	1.9
219.17377	8.2
225.16245	1.8
227.17982	2.7
229.19489	2.6
231.17447	5.0
233.19276	1.7
239.17946	2.1
241.19511	2.8
245.18985	2.2
247.16884	3.3
255.21100	2.4
257.22665	2.2
259.20557	5.7
269.22659	2.0
270.04633	1.6
273.22015	1.9
283.20523	2.5
283.23886	2.5
283.26782	1.8
284.26724	5.6
299.23782	1.9
345.27872	8.7
365.28510	2.2
383.29248	2.4
393.35263	3.5
403.33652	3.3
409.34518	16.3
411.36334	10.6
421.34628	34.6
422.35071	2.1
439.35742	82.7
440.35999	6.8
457.36667	100.0
457.44257	19.6
458.37024	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	457.3673
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
54.04122	0.4
54.73167	0.4
55.05347	1.5
55.05647	1.5
57.06908	1.2
57.07226	1.5
67.05309	2.9
67.05723	2.1
69.06873	6.1
69.07305	4.0
69.97903	1.1
69.98317	1.4
71.08473	0.7
79.05286	1.7
79.05785	1.0
81.06843	9.6
81.07385	4.0
83.08406	2.5
83.08961	1.1
86.13644	0.4
91.05270	1.5
91.93484	0.4
93.06816	4.1
93.07449	1.2
95.04765	0.5
95.08373	20.5
95.09058	5.9
95.09445	0.8
97.09969	1.2
105.06796	4.1
105.07579	0.9
107.08347	9.2
107.09154	2.1
109.06280	0.9
109.09912	10.8
109.10748	2.4
111.07848	0.7
111.11450	2.0
117.06816	0.6
119.08326	7.9
119.09280	1.3
121.06309	0.9
121.09885	8.2
121.10853	1.5
123.07867	1.0
123.11446	7.7
123.12424	1.2
131.08305	2.1
133.06255	0.5
133.09868	9.3
133.10991	1.4
135.07864	1.0
135.11426	5.4
137.09442	0.6
137.12988	13.1
137.14149	1.5
139.07355	0.9
141.69525	0.4
143.08359	0.9
145.09843	3.7
147.07852	1.0
147.11417	4.3
149.05824	0.5
149.09421	1.0
149.12990	2.8
151.07263	1.5
151.10970	0.4
151.14525	1.9
153.08838	1.7
157.09827	1.6
159.11412	4.4
160.12233	0.5
161.09416	0.9
161.12970	3.9
163.07286	0.5
163.10957	0.6
163.14569	1.5
165.08847	3.0
165.16158	0.5
171.11411	2.3
172.12073	0.5
173.12971	3.4
175.10921	1.7
175.14549	10.6
177.08911	0.9
177.12524	0.9
177.16357	2.7
179.10664	2.2
179.14052	0.9
185.13257	2.2
187.10986	0.7
187.14731	2.3
189.12505	0.6
189.16365	2.4
191.10513	0.8
191.17952	3.2
193.11934	1.9
193.15645	0.5
197.12933	0.4
199.14543	1.7
199.16237	0.5
201.16115	1.8
203.10419	0.6
203.14104	1.2
203.17986	2.7
205.12035	1.0
205.19344	0.9
207.13583	1.2
207.17377	0.6
213.16275	1.0
215.17702	1.8
217.12022	1.0
217.15701	0.7
217.19214	1.5
219.13602	1.0
219.17267	0.5
219.20700	0.5
221.15369	3.8
229.19264	1.9
231.13606	0.6
231.17287	1.0
231.20834	1.0
233.15248	0.8
235.16695	1.0
241.19215	1.2
243.17223	0.5
243.21057	13.3
244.21530	1.0
245.18884	0.7
245.22408	1.9
247.16719	0.8
247.20450	0.9
249.18295	1.2
255.21101	2.2
257.18951	0.4
257.22433	0.9
263.19766	0.4
269.22321	1.3
271.20490	0.7
273.22021	0.8
275.19965	0.6
283.20514	0.8
283.23825	0.9
287.19867	1.4
289.21280	0.8
298.83588	0.4
301.18765	0.5
301.21582	5.2
303.23123	2.3
315.22952	1.1
329.24585	1.2
343.26279	1.0
393.35321	3.4
411.36188	23.1
412.36502	1.2
421.34787	3.7
439.35696	100.0
440.35962	5.2
447.71765	0.5
457.36765	23.0
458.36746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05497	2.8
57.07063	1.8
67.05511	5.1
69.07061	7.5
69.10145	0.8
70.84887	2.0
70.85220	1.7
71.04986	1.2
79.05480	3.6
81.07046	12.2
83.08603	2.9
85.06532	2.3
91.05463	3.6
93.07027	9.0
95.04963	2.8
95.08599	22.9
97.06522	1.3
97.10134	1.6
105.07011	6.8
107.08583	12.9
109.06512	2.7
109.10142	9.7
111.08083	1.3
111.11700	2.0
115.22705	0.9
117.07030	1.6
119.08575	13.2
121.06500	1.8
121.10120	15.8
123.08051	3.7
123.11700	11.0
129.07051	1.3
131.08548	3.7
132.08769	0.9
133.10106	11.7
135.08018	2.5
135.11681	7.1
137.09587	2.2
137.13202	6.5
139.07469	0.9
142.07738	1.2
143.08534	3.5
145.10109	8.1
147.11661	6.4
149.09579	2.8
149.13258	3.2
151.11150	0.9
151.14766	1.4
153.09171	1.1
155.08467	1.1
157.10118	4.0
159.11690	7.9
161.09628	2.8
161.13255	7.2
163.11121	2.9
163.14804	2.6
169.10156	1.2
171.11642	4.9
173.09666	1.1
173.13246	3.3
175.11171	3.1
175.14818	3.8
177.09119	0.9
177.16422	1.7
183.11668	1.9
185.13254	2.7
187.11185	3.0
187.14799	4.9
189.12737	3.7
189.16382	4.8
191.17964	4.6
195.11696	1.6
197.13277	2.2
199.14752	4.5
201.16399	2.0
203.14261	1.6
203.17932	2.5
205.15843	1.8
207.17450	2.2
211.14809	1.4
213.16295	4.3
215.17986	1.5
217.15939	1.5
217.19563	1.2
217.46223	0.9
225.16438	2.1
227.17943	2.5
229.15855	1.8
229.19495	2.1
231.17436	2.9
233.15443	1.2
233.18912	1.0
235.13283	1.0
237.16449	1.6
241.16089	1.3
241.19380	1.0
243.17427	1.1
243.21048	1.7
249.18425	1.2
251.16440	2.6
255.17482	3.3
255.21085	1.6
301.17938	3.6
301.21356	1.5
369.31491	2.4
375.30447	2.1
377.32156	1.0
393.31439	15.4
411.32532	36.8
421.30750	13.9
439.31931	100.0
440.32349	2.5
457.36365	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.331
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.13035	1.0
55.05488	3.1
57.07053	2.4
61.20676	1.0
67.05477	4.6
69.07072	7.6
70.03285	4.3
75.26025	1.0
77.84671	1.0
79.05458	2.9
81.06657	1.0
81.07047	12.9
83.08598	3.2
85.25567	1.0
87.15755	1.0
87.26367	1.0
91.05428	3.5
93.07016	5.7
95.04936	1.5
95.08599	15.5
97.06527	1.8
97.10162	1.2
105.07037	5.2
107.08572	11.4
109.06451	1.3
109.10163	9.3
111.11684	1.1
119.08547	7.4
121.06490	1.9
121.10147	10.9
123.08052	2.5
123.11685	5.6
125.13213	2.4
130.19287	1.3
131.08545	2.1
133.09222	1.0
133.10109	8.2
135.08063	9.3
135.11639	7.3
137.09564	1.4
137.13167	3.1
143.08543	1.7
145.10054	4.5
147.08046	1.9
147.11642	6.8
148.08823	1.2
149.09579	2.8
149.13190	3.6
157.10100	2.4
159.08017	1.5
159.11671	5.6
161.09636	1.7
161.13216	1.9
163.11151	2.0
163.14693	1.5
165.12741	1.6
169.08505	1.6
171.11618	2.4
173.09618	1.6
173.13158	2.6
175.11201	1.2
175.14714	2.4
179.17928	1.1
183.11549	2.0
185.13161	2.9
187.11165	46.3
187.14690	3.0
189.12712	2.2
189.16307	5.9
191.17928	1.7
197.13187	2.0
197.48204	1.0
201.12656	4.8
201.16296	1.9
203.14243	2.2
205.15860	1.6
207.17375	3.8
213.12688	1.8
213.16338	1.7
215.14299	7.7
217.15778	1.6
219.17279	1.3
227.17911	1.2
231.17378	1.6
233.15288	1.6
233.18878	1.1
247.20439	1.3
249.18414	3.8
251.16557	1.9
297.22092	1.2
297.25720	1.6
299.67679	1.3
323.27249	1.7
325.21725	1.3
325.25211	12.4
340.23483	2.5
340.27582	49.7
341.28281	6.6
411.32092	1.9
421.34888	2.2
439.31467	13.7
457.32816	100.0
458.32944	3.1
461.96585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57939	1.9
53.03951	1.9
54.74427	1.7
55.01866	3.7
55.05504	4.1
56.96550	8.5
59.97807	1.8
67.05493	5.8
69.03421	8.1
69.07060	7.2
69.79074	10.8
71.04977	2.7
75.29927	2.1
79.05492	5.8
81.03421	4.8
81.07053	7.2
83.04986	5.8
84.08153	2.8
84.96046	2.5
85.02907	11.8
85.06497	2.8
87.00819	3.0
91.05484	6.4
93.07038	8.6
93.75532	2.1
95.04976	3.3
95.08590	11.1
97.02878	3.9
97.06535	2.4
98.97591	5.4
99.04432	3.3
99.08101	3.2
105.01882	2.3
105.07047	8.1
107.08591	22.0
109.06521	5.5
109.10136	8.4
111.08083	6.8
116.98661	3.4
117.07047	2.4
119.08582	6.1
121.06522	3.4
121.10151	14.7
123.08102	2.8
125.09623	4.7
127.03911	5.0
128.98610	2.2
131.08554	6.8
133.10110	32.7
135.08058	10.3
135.11728	3.8
137.05975	2.4
137.09602	20.4
139.43813	1.9
145.10179	3.2
146.99660	2.9
147.11671	11.0
149.09610	8.9
149.13246	12.5
151.11174	24.9
158.10872	2.3
163.14865	4.8
166.98495	2.2
173.11884	2.0
173.13211	12.5
187.06442	2.3
191.14293	92.1
192.14673	2.7
209.15355	89.7
209.17346	4.4
219.01794	4.1
227.09679	2.8
237.02739	11.4
245.10582	9.3
255.04056	2.1
269.10629	5.4
274.14478	2.2
281.10568	2.6
287.11682	2.3
371.13895	15.0
389.14825	36.2
389.90033	2.1
390.14972	3.1
413.15256	11.4
431.15961	16.2
457.14679	100.0
457.24637	4.7
458.15063	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05497	3.9
57.07072	2.2
59.59626	1.2
67.05505	5.6
69.03426	13.3
69.07059	9.3
71.04984	4.3
71.06208	3.2
71.06554	2.1
74.35711	1.4
79.05483	4.4
81.03412	5.4
81.07052	8.7
81.72635	1.4
83.04982	10.7
83.08614	4.1
85.02903	11.9
87.00837	4.4
91.05503	4.7
93.07012	7.7
95.04939	3.4
95.08603	24.2
95.09176	2.7
97.02899	2.7
97.06517	4.4
99.04449	2.5
99.08095	7.8
105.01868	3.2
105.07025	6.5
107.08587	34.2
109.02855	4.5
109.06514	10.2
109.10156	18.9
111.08041	2.4
119.08566	3.8
121.06509	4.9
121.10144	39.2
123.08064	4.5
123.11707	5.5
125.09621	12.5
126.21454	1.4
127.03864	7.1
131.08556	6.6
133.10129	16.0
133.82162	1.5
135.08060	13.7
135.11688	6.3
137.09625	13.2
139.11166	7.5
143.08517	1.7
145.04973	3.1
145.10077	2.5
147.11697	9.3
149.09615	10.9
149.13278	15.9
151.11180	87.2
153.09082	2.4
158.10895	2.3
159.02861	1.8
163.14812	14.3
165.12744	7.1
173.13220	17.4
191.14293	90.7
192.14703	1.7
196.48474	1.6
209.15361	100.0
269.39142	1.5
371.13846	2.8
389.14767	2.0
427.15588	1.5
434.98126	1.6
457.14822	16.1
457.21124	1.8
457.24628	3.5
458.15277	1.8
465.25180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49917	1.8
55.05498	3.2
57.03403	2.8
60.79132	2.1
67.05492	5.6
69.03421	12.1
69.07062	6.8
71.04996	14.8
71.06423	5.8
73.02909	4.6
77.96822	2.0
79.05478	4.9
81.03410	5.0
81.07044	12.5
83.04961	6.6
84.08135	2.2
85.02902	20.6
87.00828	2.0
87.49686	1.8
91.05476	5.1
93.07036	10.0
95.04980	5.1
95.08599	9.6
97.02887	6.7
97.06509	3.1
98.97566	2.3
99.04439	3.0
105.07022	10.4
107.04945	4.2
107.08602	27.0
109.02866	2.4
109.06516	5.7
109.10149	11.8
111.04395	2.3
111.76730	1.8
117.07020	2.5
119.08578	8.0
121.06553	4.1
121.10124	23.3
122.07275	4.9
123.08054	2.9
125.09663	3.4
127.03915	7.9
131.08574	4.9
133.10124	100.0
135.08047	11.7
135.11696	3.7
137.06009	2.1
137.09612	50.5
137.10646	1.8
139.11191	2.5
145.10088	3.4
147.11678	7.4
149.09605	4.0
149.13235	15.0
151.11174	32.5
153.09085	2.3
158.10910	2.2
158.99579	1.9
163.11186	3.1
163.14851	9.1
165.12744	2.9
173.13277	12.4
175.14076	1.9
187.11115	2.4
191.14299	88.9
192.14708	1.8
209.15367	43.5
237.02687	2.7
287.05524	3.0
295.06009	4.5
295.14560	2.5
324.99844	2.1
337.06885	3.2
361.02243	10.3
379.03128	6.3
379.07990	2.0
394.71851	2.6
439.19922	3.0
457.24878	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01862	1.1
55.05501	3.1
55.78020	1.0
56.97628	0.9
67.05502	2.4
69.03439	7.9
69.07080	1.8
69.36916	8.1
71.05013	1.1
75.56131	0.9
79.05499	4.4
81.03423	1.8
81.07054	7.0
83.04964	2.2
83.08604	1.3
85.02904	4.9
91.05505	5.5
93.07053	3.2
95.04955	2.3
95.08602	2.8
97.02907	1.2
97.06518	1.2
98.97578	1.4
105.01856	1.8
105.07024	7.9
107.04962	3.1
107.08590	17.5
109.02885	1.7
109.06503	3.2
109.10162	6.1
110.43127	1.0
117.07023	1.9
119.08580	2.9
121.06493	2.0
121.10140	10.6
121.90707	1.0
122.07291	4.4
123.08073	2.3
127.03901	3.8
131.08572	2.4
133.10132	100.0
135.08029	6.9
135.11697	1.5
137.09619	54.5
145.10097	1.1
147.11676	2.6
149.09665	1.4
149.13254	7.9
151.11226	1.2
158.10905	1.2
163.14818	3.2
173.13242	4.7
184.38484	1.0
191.14311	56.4
209.15350	5.1
240.27161	1.2
302.05951	1.1
389.14941	1.3
441.34668	1.0
457.14993	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01869	1.5
55.05487	1.4
57.03417	2.3
61.02913	1.2
67.05489	1.7
69.03423	11.2
69.07052	1.2
69.95173	2.3
71.04982	0.8
73.02906	3.9
79.05466	1.3
81.02982	0.6
81.03413	8.9
81.07043	3.4
83.04964	1.8
83.08604	0.5
83.57465	0.4
85.02897	14.8
85.06534	0.5
87.00828	4.9
91.05466	1.6
93.07018	1.2
95.04961	3.2
95.08623	2.6
97.02890	6.2
97.06506	0.6
99.04459	3.0
99.08047	0.8
105.01866	3.3
105.07020	2.7
107.08585	6.2
109.02878	6.9
109.06516	4.7
109.10133	2.7
115.03940	2.3
119.08568	2.0
121.06506	0.5
121.09303	0.8
121.10136	11.7
121.11012	0.6
122.07257	1.9
123.08059	3.1
123.11689	2.1
127.03908	9.4
129.01805	0.6
131.08501	0.9
133.04948	0.7
133.10114	11.2
135.08058	2.2
135.11647	1.0
137.09608	17.8
137.13211	0.6
142.31644	0.4
145.04926	4.7
145.10139	0.6
147.02798	0.5
147.11670	0.9
149.09651	4.1
149.13246	5.9
151.09940	0.9
151.11171	18.2
159.02892	3.5
162.20493	0.4
163.06027	0.7
163.14728	0.8
165.12747	25.7
173.13254	1.8
191.14305	10.1
193.15866	2.4
209.15353	100.0
210.15619	2.2
231.05069	1.4
299.23352	0.5
457.24274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01861	3.0
55.05507	1.6
57.03431	22.5
61.02921	11.4
67.05499	3.9
69.03423	38.3
69.07053	1.7
69.94960	7.6
71.01353	2.5
71.04966	4.1
73.02912	46.7
79.05469	1.9
80.93781	1.1
81.03416	15.3
81.07056	6.4
83.04987	3.7
85.02901	100.0
85.06538	1.8
85.07703	1.3
87.00829	3.7
87.04460	4.4
91.03972	3.1
91.05486	4.2
91.06015	1.4
93.07027	3.5
95.04983	3.0
95.08596	3.9
96.08978	1.5
97.02883	51.3
99.04420	6.6
103.03970	1.9
105.01877	4.5
105.07035	7.4
107.08588	18.8
109.02857	10.5
109.06520	4.7
109.10143	4.0
115.03149	2.2
115.03922	33.4
117.01855	1.2
119.08608	2.8
121.06554	1.6
121.10149	13.2
122.07259	2.6
123.08076	2.0
123.11721	2.6
127.03902	33.1
127.04797	2.4
131.08572	1.5
133.04948	10.5
133.10123	30.8
135.08041	5.6
135.11705	1.3
137.06004	2.4
137.08644	2.5
137.09602	27.9
145.04944	44.3
147.11653	3.7
149.09608	5.1
149.13229	8.2
151.07552	2.1
151.11151	18.0
159.02899	3.3
163.06007	17.6
163.14769	1.4
165.12752	26.5
167.61839	1.3
173.09534	1.1
173.13261	3.7
191.14294	20.6
193.05092	1.7
193.15857	1.8
209.15358	88.7
223.05893	3.9
231.05058	2.2
234.99068	1.8
237.93726	1.3
241.07071	4.1
259.08081	2.0
266.12091	2.0
295.10275	2.4
325.11023	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01858	3.3
57.03437	26.8
61.02921	12.5
67.05474	1.5
69.03429	44.0
71.01351	3.4
71.04971	3.4
73.02911	50.0
79.05457	2.3
81.03413	11.0
81.07056	3.6
83.04976	1.7
85.02899	100.0
86.03239	1.6
87.04443	6.0
91.03933	6.0
91.05457	3.3
93.07040	2.8
94.08654	1.4
95.04932	1.7
95.08575	1.8
95.46727	1.5
97.02883	60.5
97.03511	3.2
97.92978	1.4
99.04424	3.6
100.77933	1.4
105.06996	4.5
107.08591	14.5
109.02853	9.5
111.04427	1.6
115.03924	42.0
115.05479	1.4
117.06928	1.5
119.08593	1.8
121.10086	3.5
123.08080	2.1
127.03907	32.8
131.08591	1.5
133.04968	15.5
133.10121	14.5
135.08031	6.5
137.06012	1.7
137.09612	6.1
139.02087	1.6
145.04948	48.1
147.11656	2.0
149.09641	3.2
149.13243	2.9
163.06012	24.7
164.10704	3.0
165.12785	2.6
191.14322	9.3
199.05734	1.8
209.15314	10.5
210.92444	1.5
223.05972	4.0
241.07047	6.1
259.08151	4.6
265.11719	1.7
266.12045	1.7
295.10162	3.9
306.76358	1.8
325.11337	2.7
385.35977	1.7
457.21121	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12970	0.3
53.03918	0.3
53.95325	0.3
55.05511	1.7
57.07071	13.5
58.06571	1.4
58.07377	0.3
59.86055	0.3
67.05499	3.0
69.07070	3.5
70.06587	12.6
71.08625	8.7
71.30416	0.6
73.02921	1.6
74.06047	0.4
79.05460	0.5
81.07050	2.9
83.08613	1.9
85.10163	2.8
88.07624	17.6
90.29946	0.3
91.05460	0.5
93.07021	1.0
95.08030	0.5
95.08588	4.9
97.06503	0.4
97.10150	1.2
102.09172	11.7
105.06985	0.5
106.08653	0.4
107.08553	1.4
109.10138	2.1
111.11686	0.4
111.36569	0.3
113.88302	0.3
119.08563	1.1
121.10108	1.0
123.11665	1.2
133.10106	0.7
135.11668	0.7
137.13193	0.4
145.10121	0.5
147.11581	0.4
149.13235	0.6
156.17400	0.5
159.11725	0.5
173.09647	0.4
174.18602	0.4
189.16354	0.4
191.17879	0.3
200.20076	46.3
201.16463	0.4
201.20395	1.1
218.21146	4.0
251.67523	0.4
275.15430	0.3
283.26285	48.3
284.26633	2.0
296.64359	0.3
391.65652	0.4
438.34552	0.6
439.36078	0.6
456.44073	100.0
457.32104	0.8
457.36765	2.1
457.44391	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	456.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43380	0.8
55.05500	2.3
57.07072	35.5
61.51984	1.0
67.05510	1.8
69.07069	6.1
69.62972	7.3
71.08631	48.8
73.06558	7.4
73.57401	0.8
81.07042	2.3
83.08601	1.7
87.04453	3.7
89.06027	100.0
91.05435	1.1
93.07029	2.0
95.08613	3.9
95.50345	0.9
98.20740	2.1
105.07010	1.3
107.07052	6.6
107.08601	2.2
109.10143	2.0
113.13303	4.1
117.09119	3.4
119.08607	1.3
121.10194	2.0
123.08057	1.3
123.11703	1.2
130.08658	3.7
133.08598	46.7
133.10159	2.1
134.10448	1.2
134.99628	1.0
146.10556	1.0
146.35933	0.8
157.10017	1.0
157.15884	8.3
159.11693	1.8
171.11774	1.2
175.09653	0.9
177.11220	19.9
177.12675	2.0
181.51048	0.9
189.12791	1.0
198.18454	2.3
201.18484	16.4
221.13797	1.8
239.14861	3.2
245.21112	9.6
256.26370	1.0
283.17520	2.4
298.54208	0.9
327.20163	12.7
351.27487	3.1
395.29834	1.6
439.32672	29.7
456.36435	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	456.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90062	1.4
53.09774	1.4
55.01862	3.3
57.03432	29.6
61.02925	14.0
67.05492	1.7
69.03424	36.0
71.01314	1.8
71.04959	2.0
71.60561	1.4
71.61034	2.7
73.02911	53.5
73.42178	1.6
81.03397	7.0
81.07056	1.8
85.02900	100.0
87.04498	2.6
89.54359	1.5
91.03937	4.6
91.05470	3.4
93.07032	1.8
95.08598	2.9
97.02273	3.0
97.02889	55.3
99.04455	3.6
105.07042	2.7
107.08570	1.9
109.02863	8.6
115.03906	31.2
116.13602	1.5
119.08588	2.1
119.76705	1.5
127.03909	33.9
131.08542	3.0
133.04985	8.3
133.10057	2.2
138.73848	1.5
141.05746	1.5
145.04958	53.5
145.10109	2.1
150.07591	2.8
159.11725	2.0
163.05994	22.0
165.09056	3.1
173.13275	5.1
223.06053	3.8
241.07091	2.7
241.41615	1.7
259.08090	4.5
260.72101	1.5
295.09970	2.1
305.16934	1.6
307.20947	3.5
456.35730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2125
Annotation	Renieramide
Peak:m/z	Relative Intensity
50.77909	0.2
52.40436	0.2
53.05051	0.2
55.01875	2.0
57.03440	0.4
57.07072	0.2
69.03430	0.4
69.07066	1.5
69.57920	1.5
70.06583	0.5
72.25344	0.2
73.02899	0.6
76.29168	0.2
79.05504	0.2
81.07036	0.2
85.02888	0.6
85.06515	0.3
85.13247	0.2
90.11182	0.2
91.05481	0.2
93.07016	0.3
94.06554	0.2
95.04967	0.4
95.08601	0.2
96.04475	0.2
97.02863	0.4
97.06519	0.3
98.06036	0.2
98.21561	0.3
98.97591	0.4
99.04453	0.2
108.04459	0.6
109.10178	0.2
112.07604	0.4
115.03931	0.2
116.98592	0.5
120.08154	0.4
121.10125	0.3
122.06008	0.5
123.04461	0.2
127.03864	0.3
131.00116	0.2
133.10056	0.2
134.99661	0.2
137.05937	0.8
139.03830	0.2
140.07074	2.3
145.12227	0.9
148.07558	2.3
150.05492	0.2
151.07559	0.7
152.07855	0.4
159.10201	0.9
160.07549	0.2
161.03014	0.2
164.10652	0.2
168.06570	2.5
170.09546	0.3
174.05501	0.6
177.00693	0.2
182.09706	0.2
198.09166	0.8
199.08626	2.0
203.09544	0.2
210.09167	0.3
212.09256	0.3
212.16454	0.3
213.10196	0.7
214.08849	0.2
214.11011	0.7
215.11804	0.8
224.10658	0.7
225.08014	0.3
225.10188	2.6
226.08719	1.1
226.10786	0.3
227.08243	1.1
227.11739	1.9
237.10289	0.2
238.08607	0.2
241.09819	0.5
241.13362	0.6
242.10458	0.9
243.11299	1.1
251.11720	0.3
252.10121	0.5
254.11792	0.2
255.11278	12.4
256.11673	0.2
259.10724	0.2
269.10516	0.1
269.12863	3.8
287.13864	0.4
297.12296	3.9
297.17715	0.2
299.75009	0.2
313.11810	0.3
315.13358	100.0
316.13687	2.9
318.12244	0.3
413.17828	0.4
438.20374	0.3
456.21637	2.1
456.29672	0.4
457.16138	1.5
457.23923	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77909	0.2
52.40436	0.2
53.05051	0.2
55.01875	2.0
57.03440	0.4
57.07072	0.2
69.03430	0.4
69.07066	1.5
69.57920	1.5
70.06583	0.5
72.25344	0.2
73.02899	0.6
76.29168	0.2
79.05504	0.2
81.07036	0.2
85.02888	0.6
85.06515	0.3
85.13247	0.2
90.11182	0.2
91.05481	0.2
93.07016	0.3
94.06554	0.2
95.04967	0.4
95.08601	0.2
96.04475	0.2
97.02863	0.4
97.06519	0.3
98.06036	0.2
98.21561	0.3
98.97591	0.4
99.04453	0.2
108.04459	0.6
109.10178	0.2
112.07604	0.4
115.03931	0.2
116.98592	0.5
120.08154	0.4
121.10125	0.3
122.06008	0.5
123.04461	0.2
127.03864	0.3
131.00116	0.2
133.10056	0.2
134.99661	0.2
137.05937	0.8
139.03830	0.2
140.07074	2.3
145.12227	0.9
148.07558	2.3
150.05492	0.2
151.07559	0.7
152.07855	0.4
159.10201	0.9
160.07549	0.2
161.03014	0.2
164.10652	0.2
168.06570	2.5
170.09546	0.3
174.05501	0.6
177.00693	0.2
182.09706	0.2
198.09166	0.8
199.08626	2.0
203.09544	0.2
210.09167	0.3
212.09256	0.3
212.16454	0.3
213.10196	0.7
214.08849	0.2
214.11011	0.7
215.11804	0.8
224.10658	0.7
225.08014	0.3
225.10188	2.6
226.08719	1.1
226.10786	0.3
227.08243	1.1
227.11739	1.9
237.10289	0.2
238.08607	0.2
241.09819	0.5
241.13362	0.6
242.10458	0.9
243.11299	1.1
251.11720	0.3
252.10121	0.5
254.11792	0.2
255.11278	12.4
256.11673	0.2
259.10724	0.2
269.10516	0.1
269.12863	3.8
287.13864	0.4
297.12296	3.9
297.17715	0.2
299.75009	0.2
313.11810	0.3
315.13358	100.0
316.13687	2.9
318.12244	0.3
413.17828	0.4
438.20374	0.3
456.21637	2.1
456.29672	0.4
457.16138	1.5
457.23923	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Embelinone
Peak:m/z	Relative Intensity
51.57846	0.7
55.05512	4.9
57.03436	1.1
57.07075	1.2
58.50422	0.7
59.05002	1.1
67.05506	6.5
69.03428	2.2
69.07063	4.6
69.89107	4.2
71.04992	1.2
79.05499	3.3
81.07056	12.1
83.04996	2.8
83.08623	2.4
83.62241	0.7
91.05499	3.2
93.07037	11.5
95.04997	2.0
95.08599	31.5
97.06541	1.3
97.10191	1.2
105.07030	8.8
107.08582	13.8
109.06509	2.5
109.10163	13.6
111.08099	0.9
111.11768	1.1
117.07015	1.7
119.08572	12.7
121.06511	1.5
121.10147	12.3
123.08102	3.4
123.11709	6.2
125.09655	1.1
131.08600	3.0
133.10124	12.3
135.08093	3.6
135.11679	9.9
137.09647	2.2
137.13289	1.6
139.11208	1.3
142.07849	1.0
143.08574	1.3
145.10143	4.7
147.08087	0.9
147.11696	6.5
147.74422	0.8
149.09610	5.4
149.13309	3.3
151.11223	1.1
155.08533	1.0
157.10094	4.3
159.11667	6.9
161.09663	2.4
161.13300	3.2
163.11237	2.4
163.14911	2.4
165.09166	1.2
165.12816	0.9
169.10161	1.3
171.11737	2.6
173.09648	2.2
173.13339	3.2
175.11259	1.6
175.14769	5.3
177.12756	1.2
177.16470	3.2
179.10564	0.8
183.11732	1.3
183.42407	0.7
185.13342	2.6
187.11246	1.3
187.14832	6.3
189.12772	1.3
189.16403	5.0
191.14413	1.2
191.17958	1.6
195.11557	0.9
197.13304	2.5
199.14915	2.2
201.12790	1.4
201.16426	2.8
203.14374	1.7
203.18039	1.5
205.15944	3.0
207.17517	1.4
209.13127	0.8
211.14952	1.6
213.16411	1.5
215.14435	2.1
215.17970	1.2
217.15923	1.8
218.44757	0.8
219.13960	1.0
219.17450	1.6
225.16507	0.9
227.17896	1.1
229.16037	1.5
233.15486	3.3
247.16988	3.1
261.18530	0.9
265.19601	1.0
269.12494	3.5
283.20615	2.5
283.28418	1.3
301.21774	2.6
303.23306	1.0
343.26639	1.8
372.87598	0.9
397.31226	1.6
409.35315	1.1
419.33127	2.5
437.34329	19.4
440.56433	0.8
455.35388	100.0
456.35764	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	455.3519
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
51.76017	0.7
55.05501	2.3
55.78640	0.7
57.07058	1.7
67.05493	3.0
69.03416	2.2
69.07064	7.7
71.62878	0.8
71.63248	0.9
79.05473	2.5
81.07053	7.5
83.08601	2.9
91.05469	2.0
93.07047	5.0
95.04935	1.5
95.08605	13.5
97.06511	1.4
97.10148	1.6
105.07024	4.6
107.07948	1.0
107.08598	10.5
109.06514	2.2
109.10152	8.5
111.11715	1.5
119.08584	7.1
121.06504	1.9
121.10159	7.3
123.04427	0.7
123.08079	1.6
123.11722	4.1
131.08546	1.9
133.10120	4.9
135.08000	2.9
135.11722	4.3
137.09619	1.3
137.13242	3.3
143.08536	1.6
145.10100	3.8
147.08054	1.6
147.11694	2.2
149.09575	2.6
149.13248	2.6
151.14790	1.0
157.10126	2.8
159.07993	1.5
159.11684	3.6
161.09531	4.0
161.13255	2.4
163.11151	1.1
163.14774	1.7
171.11624	2.1
173.09544	0.9
173.13257	1.9
175.11168	0.9
175.14839	1.9
180.14960	0.7
181.10220	0.9
183.11664	1.1
185.13278	1.9
187.11223	1.8
187.14781	1.7
189.09134	1.1
189.12785	1.6
189.16368	3.0
191.14258	4.6
191.17975	1.0
197.13148	1.0
201.12778	1.0
201.16400	1.5
203.14343	1.2
203.17932	1.2
205.15855	1.8
213.16391	1.3
219.17427	1.4
220.14137	0.8
225.05179	0.9
227.14287	0.8
227.17969	1.2
229.15877	1.0
231.13779	2.0
231.17470	1.2
257.19055	1.0
299.20029	3.1
305.94696	0.9
342.15997	0.8
353.28375	1.4
395.33090	14.3
409.34583	3.1
415.15137	0.8
419.32883	3.0
437.34131	100.0
438.34326	2.7
455.28937	1.5
455.35236	25.1
456.35495	1.0
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	Melilotigenin B
Peak:m/z	Relative Intensity
53.03937	1.2
55.05496	3.2
57.07058	1.8
59.05003	1.4
61.56417	0.9
66.76701	0.9
67.05499	6.1
69.07055	11.1
69.36365	6.4
69.36787	2.6
71.04989	2.0
79.05495	3.3
81.07052	14.4
82.26578	0.9
83.04967	3.1
83.08612	3.5
91.05470	6.1
93.07036	11.6
95.04963	2.2
95.08601	24.8
97.06524	2.3
97.10164	1.3
105.07020	10.0
107.05011	0.9
107.08589	20.7
109.06508	2.7
109.10145	13.9
111.08076	1.5
111.11740	1.3
117.06992	1.4
119.08571	17.0
119.09346	1.4
121.06487	2.1
121.10136	17.2
123.08072	3.6
123.11709	8.3
129.06995	1.4
131.08530	7.1
133.06514	1.5
133.10124	16.9
135.08035	4.7
135.11676	12.0
137.09648	1.3
137.13266	4.5
143.08562	3.8
145.06552	0.9
145.10109	9.4
147.08018	2.5
147.11687	10.3
149.09613	4.1
149.13248	23.2
151.11168	2.5
157.10095	6.2
159.08150	1.3
159.11656	8.6
161.08492	1.0
161.09547	5.5
161.13243	5.4
163.07481	1.1
163.11209	2.0
163.14847	3.4
169.10110	2.2
170.10899	1.2
171.11658	4.9
173.09628	2.5
173.13254	7.7
175.11174	4.2
175.14865	3.9
177.12766	3.1
177.16345	1.3
178.09874	1.5
183.11694	2.4
185.13283	3.8
187.11171	3.4
187.14796	6.4
189.12698	1.7
189.16397	10.5
191.14304	5.9
191.17987	2.1
192.40414	1.1
196.28206	0.8
197.13280	2.9
199.14920	2.1
201.12738	1.4
201.16351	2.0
203.14320	3.3
203.17955	1.8
205.15933	1.7
207.17438	8.8
211.14804	3.2
213.12773	4.1
213.16423	1.8
215.14265	10.6
215.18004	2.4
217.15796	1.4
219.13763	1.4
223.14767	1.2
225.16388	1.6
229.15901	3.0
229.19528	1.1
231.13811	3.5
231.17375	2.1
233.15434	4.5
233.18979	1.3
239.18042	1.0
243.21030	1.1
247.16902	1.1
253.19254	1.0
255.17421	1.0
259.20486	1.9
263.18344	1.1
271.20538	1.7
281.18994	2.5
295.20609	1.1
297.22198	1.0
299.20123	5.4
299.23203	1.0
313.21722	1.3
323.23584	1.4
325.28922	3.5
339.26764	2.6
351.26752	2.1
355.26093	1.5
381.27826	1.6
391.33743	1.2
395.33084	2.6
397.30969	8.1
409.34653	2.5
419.33087	10.5
437.34137	100.0
438.34460	3.2
455.35199	90.2
456.35544	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05447	1.2
57.07023	0.8
67.05421	2.0
69.06977	3.0
69.90578	0.5
71.04931	0.6
71.51736	1.2
72.00122	0.5
74.22098	0.5
79.05403	1.5
81.06958	5.3
83.08521	1.4
91.05391	1.3
93.07028	3.3
93.74425	0.4
95.08600	9.2
97.10097	0.7
105.07014	3.7
107.08590	5.9
109.06443	0.6
109.10171	3.6
111.08025	0.8
111.11644	0.7
117.06934	0.7
119.08572	4.4
121.10137	4.3
123.07971	0.7
123.11693	3.2
131.08426	2.2
133.10112	4.8
135.07954	1.6
135.11667	2.7
137.09520	0.6
137.13155	1.9
143.08453	0.7
145.10103	3.1
147.07933	1.0
147.11685	3.0
149.09538	0.6
149.13158	1.0
155.08476	0.6
157.09999	2.2
159.11661	3.2
161.09476	1.5
161.13156	1.7
163.14647	0.7
169.10062	0.9
171.11592	1.5
173.09528	0.9
173.13231	3.5
175.11119	1.3
175.14824	0.6
183.11566	1.7
185.13155	1.6
187.11096	0.8
187.14717	2.3
189.12646	1.0
189.16165	0.5
191.14240	0.8
193.10390	0.5
195.11581	0.6
197.13103	1.5
199.14687	1.0
201.12578	0.9
209.13191	0.7
209.91676	0.5
211.14699	1.7
213.12679	1.6
215.14247	0.9
219.13776	3.5
221.13196	0.6
223.14687	0.8
225.12665	0.7
227.14206	1.0
227.17830	0.6
231.13873	0.7
231.17300	0.5
231.20901	0.6
239.14287	0.6
239.17836	0.7
251.14233	0.7
263.17783	1.5
265.19363	0.5
266.16656	1.5
269.15256	1.1
281.19064	3.8
295.20590	0.6
299.19800	1.5
313.21442	0.8
325.29019	0.6
367.29968	1.4
401.31964	0.9
409.34564	0.7
419.32932	3.0
437.34122	100.0
438.34293	2.6
455.35141	23.9
456.35507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05512	1.1
57.07069	0.9
67.05496	2.9
69.07058	3.9
70.68334	2.1
70.68694	1.0
71.04972	0.7
72.76263	0.7
79.05495	2.9
81.07049	8.6
83.08596	1.1
89.50775	0.8
91.05475	2.2
93.07038	7.3
95.04967	1.0
95.08591	8.1
97.06508	1.3
99.08083	0.9
101.40688	0.7
105.07018	5.9
107.08580	11.6
109.06528	1.6
109.10130	8.1
111.08083	1.4
113.43006	0.7
116.32041	0.7
119.08566	16.0
120.49006	0.7
121.06478	1.9
121.10114	5.7
123.08098	1.6
123.11700	3.2
125.05970	6.4
131.08595	2.1
133.10114	16.4
135.08064	3.2
135.11671	14.7
137.09621	2.3
137.13307	1.0
139.07553	3.7
143.08543	1.3
145.10098	7.4
147.11659	8.9
149.09604	0.9
149.13275	2.3
151.11171	2.0
152.49437	0.8
157.10139	2.0
158.10831	0.7
159.08067	2.2
159.11687	2.5
161.09642	1.6
161.13287	2.3
163.14806	5.0
169.10153	1.1
171.11662	1.7
173.09604	4.5
173.13237	1.7
175.11197	4.5
175.14819	0.7
177.09187	3.5
185.13200	0.9
187.11145	7.2
187.14774	5.8
189.16356	33.0
191.10638	2.7
196.12627	0.8
197.13254	2.9
199.14809	1.1
205.15874	2.8
207.17418	72.3
208.17772	1.0
211.14861	1.5
213.16364	2.2
215.14316	14.6
217.15883	1.0
229.15845	67.9
230.16190	1.0
231.17436	7.4
233.15349	26.3
239.09181	0.8
243.17569	4.1
247.16904	23.6
248.17451	0.7
257.18991	1.8
269.18945	0.9
283.20444	3.8
320.44247	0.7
362.19913	0.8
419.33075	2.0
437.34167	29.3
438.34109	1.5
455.35190	100.0
456.35468	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05281	0.7
55.05497	3.4
57.07080	1.7
57.71784	0.7
66.45279	0.7
67.05514	4.9
69.03433	1.3
69.07069	4.4
69.70503	4.1
71.04993	0.7
79.05504	2.9
81.07058	9.7
83.04981	1.3
83.08626	2.2
87.75616	0.7
88.51608	0.9
91.05488	2.3
93.07035	7.5
95.04980	1.7
95.08599	21.6
96.83796	0.6
97.10191	1.4
98.20820	1.1
99.08115	1.2
99.24404	0.6
105.07029	5.8
107.08586	12.0
109.06572	1.8
109.10149	9.8
109.10805	0.8
111.08138	1.3
111.11739	1.6
119.08586	10.1
121.06517	2.9
121.10143	11.3
123.08073	3.3
123.11712	6.2
131.08556	3.3
133.10107	10.6
135.08052	3.9
135.11696	7.6
137.09679	2.1
137.13303	1.1
139.11166	0.8
143.08607	2.3
145.10089	7.0
147.08069	1.7
147.11688	6.4
149.09625	7.0
149.13313	2.5
151.11243	1.6
157.10213	2.2
159.11722	4.2
161.09679	2.2
161.13260	3.5
163.11183	3.2
163.14899	2.1
165.12784	1.3
167.10765	1.9
167.14374	1.5
169.10199	1.1
171.11757	2.1
173.09711	1.9
173.13246	3.3
175.11279	2.4
175.14813	3.3
177.12807	2.2
177.16519	2.0
183.11716	1.1
185.13322	2.2
186.82312	0.7
187.11241	1.3
187.14816	6.0
189.12761	1.4
189.16368	3.7
193.15909	0.9
195.11668	0.8
197.13336	1.5
199.11201	1.1
199.14981	2.2
201.12811	1.3
201.16478	1.5
203.14391	0.9
203.18010	1.9
205.15955	2.8
207.17445	1.6
211.14867	1.5
213.16406	1.6
215.14462	2.4
217.15939	1.6
219.17477	0.7
221.15501	1.0
225.16487	0.9
227.18077	0.8
229.15903	1.3
231.17526	1.9
233.15384	6.2
255.17780	0.7
269.22604	0.9
271.20834	0.9
273.22403	0.8
283.20798	0.9
285.22302	0.9
301.21631	1.5
303.23358	1.2
315.23447	1.1
343.26608	1.5
351.27136	0.8
409.26282	0.7
409.30856	1.0
418.03528	0.8
419.33328	2.0
427.31863	1.1
437.34546	13.2
452.07806	0.7
455.35510	100.0
456.36093	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	455.3517
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05508	1.3
57.07066	0.5
67.05495	1.8
69.07059	3.6
70.23343	1.0
79.05486	1.0
81.07050	4.2
83.04976	0.4
83.08607	0.9
85.02856	0.2
91.05453	0.8
93.07039	2.6
95.04955	0.6
95.08597	7.4
97.10166	0.4
105.07013	2.1
107.08584	3.5
109.06515	0.7
109.10150	3.8
111.08074	0.6
111.11718	0.7
117.07042	0.6
119.08556	5.2
121.06504	0.4
121.10138	3.8
123.08064	0.9
123.11707	2.7
129.06975	0.2
131.08545	1.9
133.10112	3.9
135.08055	1.3
135.11696	2.8
137.09627	0.5
137.13229	1.8
142.07773	0.3
143.08580	1.1
144.09338	0.3
145.10092	2.8
147.08064	0.6
147.11671	1.7
149.09604	0.8
149.13254	1.1
151.14703	0.2
155.08543	0.6
157.10110	2.1
158.10867	0.5
159.07971	0.4
159.11671	2.3
161.09587	1.0
161.13234	0.9
163.07472	0.2
163.11218	0.9
163.14833	0.8
169.10146	1.0
170.10901	0.3
171.07980	0.4
171.11644	1.3
173.09627	0.8
173.13258	7.4
174.42218	0.2
175.11165	1.1
175.14827	1.0
181.10228	0.2
183.11679	0.7
185.09656	0.6
185.13232	1.6
187.11215	1.0
187.14789	2.0
189.12733	1.0
189.16399	0.8
191.14333	0.5
191.17918	1.1
193.10040	0.4
195.11639	0.4
197.13187	0.6
199.14815	1.6
201.12766	0.9
201.16359	0.6
203.14406	0.4
203.17972	0.4
205.15857	0.8
207.11789	0.3
209.13258	0.7
211.14804	1.2
213.12762	1.6
213.16385	0.7
215.14345	1.2
215.17911	0.3
217.15860	1.7
217.19464	0.3
219.17456	0.6
221.13324	0.3
223.14862	0.4
225.16345	0.3
227.14293	1.8
229.15825	0.5
231.13770	0.7
231.17468	0.5
233.15271	1.3
237.16382	0.5
239.14134	0.3
239.18024	0.5
243.21062	0.3
253.19695	0.4
259.20544	0.4
263.17981	0.8
265.19360	0.3
267.17493	0.3
281.19012	1.3
299.20047	0.8
311.07260	0.3
325.25342	0.4
341.28293	0.6
343.26242	0.7
351.30563	0.3
369.31454	0.8
401.32144	0.7
419.33041	2.6
437.34167	14.2
438.34662	0.4
455.35202	100.0
456.35559	4.5
457.00549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
55.01851	0.7
55.05515	2.8
56.96556	0.6
57.07048	2.5
59.04973	0.6
67.05495	5.1
69.03410	2.2
69.07069	8.5
70.04457	3.5
70.55866	0.6
71.04987	1.3
74.61697	0.6
79.05490	2.9
79.05897	0.5
81.07054	9.9
83.04942	0.9
83.08620	4.2
86.72404	0.5
89.06004	0.6
91.05460	2.6
93.07052	4.8
95.04968	2.9
95.08604	15.2
97.06509	1.1
97.10142	1.4
97.28244	0.6
98.20741	0.6
105.07029	5.3
106.43301	0.6
107.04906	0.6
107.08593	14.9
109.06484	1.2
109.10159	10.2
111.08048	0.9
111.11713	1.0
117.07010	1.0
119.08593	7.8
121.06513	3.4
121.09322	0.7
121.10149	10.4
123.08022	2.0
123.11716	5.3
123.12509	1.0
125.13239	2.1
131.08522	2.3
133.06453	1.9
133.10135	6.9
135.08060	7.2
135.11694	7.2
137.09557	1.8
137.13252	3.5
143.08507	2.4
145.10121	6.1
147.08076	3.2
147.11711	4.0
148.08754	0.7
149.09572	2.1
149.13257	5.0
151.11087	1.0
155.08496	1.2
157.10132	4.6
159.08018	1.0
159.11702	7.5
161.09636	5.9
161.13211	2.7
163.11159	1.8
163.14771	1.8
169.10072	1.3
171.11703	3.0
173.09630	4.1
173.13205	3.3
175.11189	6.1
175.14720	2.6
177.12675	2.5
183.11710	3.6
184.12384	0.6
185.09535	0.7
185.13205	2.1
187.11180	18.3
187.14731	2.4
188.11555	0.7
189.12723	1.1
189.16364	3.1
191.17912	1.7
195.13676	0.7
197.13194	2.0
199.11166	0.9
199.14780	1.9
199.28822	0.6
200.11942	0.9
201.12714	7.9
201.16353	1.3
202.13467	0.7
203.14270	2.0
203.17900	1.2
205.12117	0.9
205.15742	0.8
211.14824	1.3
211.47365	0.6
213.12733	1.1
213.16310	2.2
215.14363	3.1
215.17804	0.8
217.15877	2.1
219.17360	1.0
225.16351	2.7
227.17851	1.2
229.15887	1.4
229.19460	0.8
231.17340	2.4
233.15311	1.1
233.18892	1.1
241.19446	0.9
243.17438	15.0
243.21104	1.0
244.17751	0.8
255.17279	0.7
257.18964	1.6
259.20474	2.3
271.16763	2.2
271.20264	0.8
273.22046	2.3
285.22046	1.1
289.18094	3.8
297.22031	2.0
303.19312	0.9
309.25623	0.9
310.26385	1.6
311.23602	7.6
311.26999	1.0
312.24094	0.7
325.25262	7.2
339.26840	9.9
340.27579	17.7
341.27924	1.1
353.28342	6.6
353.32190	1.3
363.30594	1.1
367.29846	1.5
381.31522	51.0
382.31879	2.9
391.29660	1.3
409.30899	6.1
419.32928	1.5
427.32071	70.8
428.32443	4.6
437.34924	3.2
445.32739	0.6
455.31323	100.0
456.31711	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	455.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01863	0.9
55.05507	2.0
57.03432	0.9
57.51298	0.4
61.02931	0.7
65.03943	0.5
67.05493	1.0
69.03424	11.2
69.07059	2.3
69.55755	3.4
71.04977	0.6
73.02908	1.6
77.03931	0.8
79.05485	7.0
81.03412	3.5
81.07056	1.4
81.58167	0.4
83.04964	5.8
83.08620	0.9
83.19466	0.5
85.02905	4.9
87.00813	1.7
91.05476	2.3
93.07030	2.1
95.04937	2.8
95.08589	0.8
97.02872	2.2
98.20689	0.4
99.04459	1.0
103.05450	3.4
105.01865	2.1
105.04497	0.5
105.07022	7.6
107.04956	0.8
107.08585	8.9
109.02857	2.7
109.06511	1.4
117.07065	0.7
119.08588	4.3
121.06492	5.6
121.10128	3.8
123.08057	2.3
127.03910	3.5
131.08568	4.1
133.06480	100.0
133.10106	3.9
134.06802	1.5
135.08034	5.7
135.11681	0.6
137.05966	0.6
143.08557	1.7
145.04955	1.6
145.10129	2.6
147.08051	2.3
147.11684	2.5
149.09602	2.0
149.13220	1.7
151.07492	0.9
156.09471	0.6
158.10884	3.1
159.02875	1.7
159.08043	0.9
160.08821	0.5
161.09558	2.2
161.13220	0.7
163.11169	5.1
163.14809	0.5
165.12776	0.5
171.11749	0.9
173.13240	5.6
174.10336	1.1
176.11931	0.8
185.13365	0.5
189.12733	23.0
191.14291	59.5
192.14636	1.8
197.36786	0.5
207.13799	19.7
221.38750	0.5
228.24419	0.4
231.04868	1.0
249.05672	0.5
274.96323	0.5
297.14746	1.2
315.15607	0.5
323.53439	0.5
374.75882	0.5
455.22119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47443	0.4
56.96568	2.3
57.03422	2.0
57.24058	0.4
61.02916	1.6
66.42389	0.4
69.03432	3.0
70.06563	1.0
70.53423	0.9
70.53811	0.8
71.04983	0.6
71.96250	0.5
73.02917	3.7
81.03400	1.0
82.06580	0.6
84.08144	0.9
85.02898	4.0
97.02886	2.7
98.97594	4.5
101.00871	1.3
103.02425	1.1
109.02863	0.8
110.97552	0.9
112.99113	1.1
113.00835	0.7
115.02405	2.3
116.07068	1.4
116.98616	2.7
119.01926	4.2
121.03456	1.2
126.82989	0.5
127.03912	1.6
128.07062	1.6
128.98558	1.3
129.03999	1.0
131.00140	1.9
131.01880	3.6
133.01813	0.6
133.03461	12.5
133.04977	0.6
134.03494	0.8
134.99677	1.0
137.02942	1.1
141.03920	0.8
142.08627	0.8
143.00116	0.7
143.01894	3.2
145.01730	0.5
145.03448	3.8
145.04857	1.2
146.99643	0.7
147.03203	0.7
147.05043	3.4
149.01210	1.6
149.02934	1.0
151.04503	3.5
155.01883	5.0
157.03436	4.5
158.99692	1.4
159.05016	9.4
160.74158	0.5
161.01265	1.3
161.02960	6.4
161.06604	1.0
163.04588	0.7
167.02226	0.7
169.03442	0.8
171.04996	4.0
173.01430	0.6
173.02968	8.8
173.06479	0.7
175.03064	0.8
175.04539	5.1
177.00729	2.1
177.04446	1.1
177.06070	4.8
178.04912	2.9
179.01978	1.9
183.05038	3.3
185.02933	2.5
185.06560	2.5
187.04504	2.0
189.00668	0.9
189.06097	2.7
191.02271	1.6
193.03836	0.9
195.05452	1.0
195.07101	4.2
197.02931	4.5
197.06705	0.7
198.06410	0.5
199.04536	1.2
201.00615	0.6
201.04462	0.5
201.06099	2.9
203.02351	0.7
203.04016	2.8
203.07626	1.8
205.00238	0.6
205.05557	0.8
211.04507	2.6
213.06061	1.5
215.07616	1.3
217.05635	0.7
219.01770	1.3
219.07143	18.0
220.07373	0.8
221.03175	0.5
221.05057	10.1
221.06979	0.7
225.05978	1.5
231.07138	21.0
232.07204	1.3
233.06754	0.6
233.08723	4.8
237.02777	5.1
243.06973	0.6
244.07710	0.8
245.05069	17.9
245.08817	1.3
245.10956	0.6
246.05228	1.1
247.06799	0.7
250.07104	1.1
251.04254	0.7
255.07106	7.2
259.07178	2.8
261.08310	4.0
263.06097	1.3
266.06381	0.6
269.05325	0.8
273.08173	6.8
275.06100	1.3
281.05551	0.7
284.08929	1.3
291.03931	0.8
291.09351	0.9
293.05334	0.8
295.07147	0.6
303.09366	0.9
305.10828	3.5
306.08270	0.8
321.10303	100.0
322.10599	5.6
323.10294	2.0
337.08820	0.8
339.11511	7.0
349.10049	0.6
355.09354	0.7
397.10104	0.6
413.09625	1.3
437.10968	1.8
455.12201	58.3
456.12622	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	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.11582	0.6
50.54292	0.6
55.05513	3.2
56.96554	0.7
57.03440	3.3
57.07076	20.3
62.06090	24.7
63.12444	0.5
67.05505	3.8
69.07081	3.5
69.85018	3.8
71.04988	0.6
71.08633	14.2
71.26898	0.5
75.56336	0.5
79.05476	0.9
81.07059	7.3
83.08620	4.5
85.10179	7.9
91.05491	0.6
93.07035	0.7
95.08607	8.7
97.10151	1.8
98.98470	5.4
100.11249	1.4
105.07027	0.7
106.73631	0.6
107.08564	0.6
109.10147	4.4
111.11752	0.8
119.08513	0.8
121.10112	1.2
121.88959	0.7
123.11667	1.5
124.01620	1.0
131.08481	0.8
133.10036	0.6
135.11676	0.6
137.13286	0.7
142.02692	0.8
155.01080	5.0
159.11697	0.6
173.02058	1.0
181.06445	0.7
192.20364	0.6
198.05234	1.8
216.06334	3.0
225.09204	0.7
239.23781	1.5
282.27911	17.4
282.31036	1.0
313.27362	100.0
314.27728	1.9
393.24054	6.6
436.28146	4.5
436.33389	0.9
454.29037	1.9
454.34616	3.6
471.78079	0.6
479.46021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68436	1.5
53.03915	1.9
55.01859	2.7
55.05497	5.5
56.96548	2.7
57.03431	35.0
57.07064	3.8
61.02918	15.1
66.92617	1.6
67.05484	6.0
69.03069	2.7
69.03423	35.5
69.07065	22.4
71.01345	3.4
71.04975	5.2
71.60408	2.0
71.60876	2.3
73.02909	65.4
79.05501	4.1
81.03416	12.3
81.07043	8.6
82.07358	1.8
83.04960	3.1
83.08603	9.8
85.02898	100.0
85.06506	2.1
87.04463	3.5
91.03932	8.0
91.05480	4.7
91.72956	1.5
93.07011	4.8
95.04955	4.0
95.08607	8.4
97.02882	59.6
98.97564	2.5
99.04446	5.4
100.11205	2.1
103.03931	3.1
105.06984	4.1
106.07395	2.3
107.08590	4.9
109.02856	9.3
109.10139	3.6
110.41911	1.7
115.03926	37.7
116.98572	2.2
119.08559	3.8
121.10134	4.8
123.04425	1.9
123.11785	2.2
123.32539	1.8
125.13268	2.9
127.03896	29.2
131.08521	2.6
133.04895	9.1
133.10075	3.0
135.08072	2.0
139.07515	4.7
143.14302	5.5
145.04945	30.4
147.11670	2.9
149.02310	2.1
150.07622	4.1
157.10120	2.7
159.11688	1.8
163.06012	13.6
165.08977	2.7
177.00667	2.8
183.13861	3.3
193.05002	6.4
193.12173	3.1
211.13345	2.5
223.05919	5.3
239.16608	2.4
241.07095	5.9
251.16451	2.6
259.08179	3.0
267.09000	10.4
267.15982	3.0
269.17490	3.6
275.18576	2.0
285.10080	20.8
286.10385	2.9
287.18509	5.1
290.10742	1.9
295.10211	3.8
299.11484	2.2
303.11148	2.0
305.19595	6.3
308.11557	2.5
317.12723	2.9
324.11420	7.3
324.61877	2.0
340.12830	3.9
422.20959	2.0
429.18155	2.5
455.18848	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	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05493	1.4
56.05020	2.0
57.03433	23.4
58.06588	0.7
59.04959	0.6
60.04518	2.8
61.02923	6.0
67.05482	1.1
69.03424	11.8
69.07066	3.1
69.61930	4.0
70.06591	4.2
71.01335	1.1
71.04972	1.7
73.02914	39.1
74.89972	0.5
75.04460	1.0
79.05476	1.0
81.03396	2.4
81.07047	5.2
82.06555	0.9
83.04975	1.0
84.08138	10.3
85.02421	1.0
85.02905	16.2
85.03423	0.9
85.06541	19.1
86.09700	18.0
87.04478	2.6
88.07642	0.6
91.03958	0.5
93.07021	0.7
93.21946	0.5
95.08607	0.7
96.08129	0.7
97.02269	0.9
97.02888	12.3
97.06514	1.7
98.09089	0.8
98.09690	10.8
98.20796	1.1
99.08086	18.9
100.07598	0.6
100.08452	0.5
102.09174	21.1
109.02885	1.3
109.10134	0.7
112.11261	0.8
114.09161	1.5
115.03915	12.1
116.10726	27.5
123.35958	0.5
124.07604	0.8
124.11240	1.6
125.09603	0.8
125.43257	0.5
126.12780	0.7
127.03902	5.2
127.07575	0.8
129.15269	0.6
133.04990	4.2
136.07553	1.6
137.05981	0.8
139.03851	0.6
141.90163	0.5
142.12265	12.4
143.10689	1.2
144.06546	1.1
144.10197	0.6
144.13837	6.9
145.04939	4.7
158.11789	1.1
159.86713	0.6
160.13324	100.0
161.13591	1.0
162.07565	0.6
163.06058	1.0
164.07010	2.5
166.08559	0.5
169.12231	0.9
174.07587	0.6
178.05788	0.5
180.08611	1.1
193.04886	0.6
197.05917	0.6
211.09589	0.6
219.08658	2.7
229.10634	0.6
247.11853	0.7
260.14859	0.7
264.14426	5.9
278.10278	1.4
292.17551	2.0
294.11926	0.7
295.10211	1.6
296.11380	0.7
322.18607	26.7
396.18649	18.4
436.21573	0.9
454.22809	74.5
455.23004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05497	1.3
55.15718	0.5
56.05016	1.7
57.03437	24.4
58.00889	0.5
58.06593	1.1
60.04530	2.8
60.68248	0.5
61.02932	6.5
67.05489	1.2
69.03073	0.9
69.03424	12.6
69.07067	3.8
70.06583	4.5
70.71834	1.7
71.01336	0.9
71.04984	2.0
72.08138	0.6
73.02916	46.5
75.04466	1.0
79.05487	1.3
81.03439	1.4
81.07053	6.6
82.07411	0.7
84.08135	10.4
85.02905	18.2
85.06541	19.5
86.09702	16.7
87.04462	3.6
95.08586	0.8
96.08126	0.8
97.02895	13.9
97.06525	1.8
98.09693	10.7
99.04435	1.3
99.08092	19.8
102.09180	17.7
102.09862	0.9
105.07034	0.8
107.08582	1.1
109.02876	1.5
112.11242	1.3
114.12858	0.9
115.03149	1.0
115.03926	13.8
116.10730	30.5
124.07552	1.5
124.11204	1.5
127.03912	4.5
133.04958	4.9
136.07555	4.2
137.05984	0.7
142.12271	13.1
143.10719	0.7
144.13821	5.5
145.04933	3.8
158.11745	1.7
159.12134	0.7
160.13327	100.0
161.13647	2.0
162.07637	0.7
163.06015	0.9
164.07066	5.2
171.13896	0.8
174.05492	0.9
174.07581	0.8
193.08694	0.8
207.13773	1.2
209.49872	0.6
211.09668	0.8
219.08655	1.8
241.07152	0.8
247.11832	1.1
259.08167	0.9
264.14420	5.9
266.06601	0.7
278.10281	1.1
289.62875	0.6
292.17615	2.0
295.10532	0.8
296.11316	3.2
313.11792	0.6
314.12399	1.3
322.18588	22.7
322.22232	1.2
323.19049	0.8
396.18674	15.3
397.18588	0.7
436.21906	0.8
454.22827	69.8
455.09219	0.8
455.23230	3.2
462.07910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3359
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
51.40785	1.1
55.05498	1.4
67.05495	3.1
69.07043	3.3
70.46645	4.0
79.05454	1.3
81.07059	5.6
89.06011	1.6
91.05454	1.7
93.07031	4.6
95.04945	1.1
95.08603	14.0
96.02444	1.1
98.21397	1.6
100.11259	3.0
105.07029	4.2
107.08588	3.8
109.10131	3.7
119.08579	13.4
121.10146	10.4
122.10484	1.1
123.11681	3.8
131.08600	2.9
133.10129	4.2
135.11713	3.9
137.09587	1.8
137.13243	2.3
143.08598	1.2
145.10101	4.0
147.11723	3.2
149.13278	2.4
157.10133	3.6
159.11728	5.5
161.13249	3.1
171.11668	2.3
173.09679	1.2
173.13252	5.5
175.14825	3.1
185.13254	2.0
187.11209	1.3
187.14821	1.1
189.12651	1.4
189.16318	1.3
201.12756	4.5
211.14868	1.6
225.16293	1.3
251.17966	1.4
259.20340	1.3
269.19046	2.5
313.25174	3.9
369.31223	1.6
389.32144	5.2
407.27792	1.3
407.33096	24.4
408.33594	2.3
411.32535	2.1
435.32645	2.5
453.33618	100.0
454.33997	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05508	4.9
57.07062	1.3
62.28785	0.9
67.05505	3.5
69.03430	1.3
69.07064	3.7
69.98553	5.7
71.04984	1.1
79.05485	3.4
81.07053	7.0
83.04962	1.2
83.08610	4.6
91.05450	2.4
93.07038	6.6
95.04986	1.9
95.08617	7.0
97.06530	1.3
99.08086	1.8
100.11263	12.8
104.45334	0.9
104.90936	0.9
105.07030	5.2
107.04883	1.0
107.08591	10.7
109.10136	6.7
111.04402	1.4
117.07007	2.0
119.08569	10.8
121.06492	2.4
121.10160	9.8
123.08047	2.5
123.11700	2.9
125.05991	5.8
131.08575	2.9
133.10126	7.0
135.08083	3.5
135.11690	2.5
137.09619	2.1
139.07552	3.9
145.10104	10.8
147.08107	1.0
147.11693	5.5
149.09631	3.3
157.10167	1.4
159.07895	1.1
159.11650	4.9
161.09641	2.2
161.13278	3.4
163.11191	20.5
163.14827	1.4
169.10217	1.2
171.11658	1.8
173.09619	5.1
173.13252	1.7
175.11142	7.6
177.09149	2.7
182.15459	4.7
182.46779	1.1
183.11661	1.4
185.09598	1.1
187.11269	4.4
187.14807	8.0
189.12817	1.5
189.16408	4.3
191.10745	2.9
197.13258	4.4
201.16359	1.2
205.15866	32.3
209.16548	4.6
210.14941	3.4
211.14847	2.5
215.14317	13.1
217.15971	1.2
226.19186	1.4
229.12424	1.5
229.15851	30.0
231.17365	1.8
232.14290	1.3
233.15344	26.8
243.17494	2.8
247.16978	8.6
435.32602	16.3
453.33731	100.0
454.34244	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	453.3359
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05500	1.3
57.07061	0.7
59.04978	0.6
67.05497	3.3
69.07066	2.5
69.59156	0.8
69.59557	3.2
71.04985	0.6
79.05481	1.5
81.07051	3.9
83.08598	1.4
91.05466	2.0
93.07046	4.6
95.04941	1.0
95.08598	9.3
97.06516	0.8
99.08067	1.0
100.11214	0.7
105.07018	4.1
105.35236	0.4
107.08582	5.9
109.06492	1.2
109.10146	5.6
111.08074	1.1
112.80318	0.5
119.08579	5.5
121.06505	0.9
121.10123	5.9
123.08037	1.0
123.11695	2.1
123.97073	0.4
129.28586	0.5
131.08560	2.4
133.06447	0.5
133.10118	5.1
135.08052	1.2
135.11687	4.4
137.09621	0.6
139.11153	0.6
143.08548	1.1
145.10126	4.7
147.08043	0.9
147.11650	2.7
149.09596	1.3
149.13248	1.1
156.09332	0.9
157.10091	2.2
159.08086	0.7
159.11703	2.9
161.09596	0.9
161.13278	2.1
163.11127	0.9
163.14857	0.6
169.10091	1.2
171.11702	1.9
173.09628	1.7
173.13272	2.2
175.11198	1.7
175.14822	1.6
177.12766	0.5
177.16353	0.9
181.10085	0.6
182.15331	0.5
183.11700	1.4
185.13254	0.9
187.11160	1.6
187.14787	4.5
189.12741	0.9
189.16338	2.3
191.14326	0.7
197.13254	1.1
199.14882	1.0
201.12743	1.2
201.16399	0.9
203.14337	1.2
203.17990	1.0
205.15941	2.0
207.17361	0.7
209.13240	0.9
211.14801	1.4
213.12720	0.6
213.16432	0.8
215.14343	1.8
217.15936	0.9
223.14514	0.6
225.16432	0.8
229.15880	1.7
231.17410	0.8
233.15363	2.3
237.16374	1.0
239.14381	0.7
239.17932	0.7
241.15742	0.6
245.15353	0.6
247.16893	0.5
253.19559	1.0
257.18967	0.6
263.18002	0.7
267.21082	0.6
271.20612	1.9
281.19043	1.0
283.20352	0.5
285.18497	0.6
297.22223	0.7
299.20026	3.5
332.19971	0.4
338.26047	0.5
341.24612	0.6
407.33298	1.0
417.31503	1.5
425.34448	0.9
435.32681	11.7
436.32834	1.3
440.22449	0.5
453.33649	100.0
454.34076	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	453.3356
Annotation	Melliferone
Peak:m/z	Relative Intensity
52.97647	0.7
55.05495	2.3
57.07069	1.2
62.35178	0.6
67.05495	2.8
67.09432	0.7
69.07067	6.3
69.47701	4.7
69.48123	2.5
71.05006	0.8
79.05480	1.7
81.07052	8.8
82.36749	0.7
83.08598	3.7
86.57966	0.7
91.05468	3.3
93.07054	4.0
95.04973	1.5
95.08603	13.8
97.06516	1.0
97.10177	1.2
100.11259	4.5
105.07026	4.4
107.08578	7.9
108.66486	0.8
109.06507	1.4
109.10144	6.2
111.04432	0.8
111.11717	1.4
117.07067	1.0
119.08564	7.9
121.06509	1.2
121.10130	9.0
123.08073	0.9
123.11675	5.1
124.41345	0.7
125.09643	1.0
130.40215	0.7
131.08553	2.5
133.10124	7.0
135.08054	3.6
135.11702	4.5
137.09579	0.8
137.13242	2.8
138.83261	0.9
143.08542	1.9
145.10109	5.2
147.08034	2.5
147.11673	3.6
149.09621	2.1
149.13216	2.1
157.10117	3.3
159.11679	4.1
161.09628	3.5
161.13286	3.6
163.11186	1.6
163.14816	0.9
169.10089	1.2
170.10800	0.8
171.11734	1.7
173.09587	1.4
173.13206	2.4
175.11212	2.7
175.14844	2.3
177.12726	1.6
182.15358	1.0
183.11687	1.2
185.13258	2.4
187.11217	2.1
187.14731	1.3
189.12730	1.8
189.16376	2.1
191.17953	1.0
199.11325	0.9
201.12720	2.1
203.14423	1.6
209.13319	1.7
209.16481	1.2
210.14859	1.4
211.14946	0.8
213.12695	1.9
215.14244	1.6
217.15926	1.8
217.19479	0.8
227.14380	1.5
227.17955	2.3
229.15921	2.1
231.17461	1.5
233.15350	1.0
243.21132	0.8
245.19073	2.9
251.17932	0.8
259.20624	3.4
269.18900	1.4
315.19583	1.0
339.27060	3.6
366.29178	1.6
367.29828	2.1
383.33215	10.5
407.33194	2.2
417.31750	1.4
425.34116	8.6
435.32761	9.3
453.33688	100.0
454.34091	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	453.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68324	2.2
53.03946	4.2
55.01868	9.7
55.05506	30.3
57.03429	6.4
57.07071	17.0
58.29426	2.9
59.15248	2.1
61.02928	3.6
65.03934	3.3
67.05159	4.2
67.05499	45.0
68.85288	2.7
69.03422	26.8
69.07065	60.2
70.84585	9.0
71.05006	4.3
71.08624	3.5
73.02915	4.3
77.03980	2.7
79.05482	30.9
81.03413	18.8
81.07051	91.7
83.04946	11.8
83.08622	24.7
85.02902	36.3
85.06554	14.1
87.47864	2.3
91.05474	30.8
93.07045	56.4
95.04964	26.2
95.08604	100.0
97.02894	17.1
97.06530	7.2
97.10165	11.4
99.04450	4.6
100.11259	4.9
101.06013	2.3
103.03934	4.0
105.07026	44.2
107.04955	7.2
107.08593	54.3
109.02867	5.6
109.06551	14.0
109.10155	50.9
111.04440	10.3
111.08056	9.3
111.11764	6.0
113.02346	2.9
113.06034	2.9
116.98620	4.4
117.07015	8.8
119.04961	3.2
119.08570	46.0
121.06519	14.1
121.10142	38.6
123.04420	6.7
123.08088	13.1
123.11703	27.3
125.05977	3.6
125.09576	6.7
125.13273	3.0
127.03902	10.0
128.06252	4.4
129.05455	4.5
129.06981	7.3
130.07770	3.9
131.04976	2.6
131.08585	15.9
133.06488	6.8
133.10120	32.4
134.99576	2.8
135.08063	9.1
135.11690	28.7
137.05943	6.7
137.09639	8.3
137.13251	10.0
138.53738	2.3
139.04007	3.2
139.07605	3.0
141.05402	2.8
142.07770	6.5
143.08571	9.9
145.04991	6.9
145.06500	4.6
145.10127	26.5
147.08061	9.2
147.11674	29.5
149.06024	4.3
149.09633	9.4
149.13237	19.5
151.03795	2.9
151.07605	2.7
151.14865	2.8
153.07120	2.7
155.08533	8.3
157.10104	17.9
159.08060	6.3
159.10175	13.9
159.11684	17.9
161.05959	6.2
161.09570	6.6
161.13240	18.8
163.11143	4.7
163.14844	14.1
165.09163	5.1
167.07039	4.4
168.09348	3.7
169.10101	9.8
171.11662	12.5
173.09630	7.5
173.13252	12.3
175.03963	2.4
175.07523	5.3
175.11218	9.4
175.14925	11.5
177.00665	3.0
177.05484	4.9
177.09189	3.5
177.12747	3.3
177.16379	8.2
181.10179	3.4
183.11685	6.9
185.09584	2.9
185.13289	5.2
187.11188	4.8
187.14827	6.4
189.09146	3.7
189.12762	5.1
189.16370	6.8
191.07048	3.6
191.18027	4.9
193.12320	3.5
195.11803	4.3
197.09540	4.3
197.13329	4.7
199.07524	3.1
199.11243	3.1
199.14825	6.4
201.09090	2.7
201.12718	2.6
201.16406	7.2
203.07092	4.6
203.10715	4.2
203.18062	2.8
205.12193	2.9
209.13301	3.4
211.11235	2.7
211.14832	4.5
213.09180	4.3
215.10577	3.1
215.14388	3.4
215.17914	4.3
217.19563	4.8
225.09033	5.0
227.14322	2.9
227.18098	2.8
231.20970	2.8
237.12877	3.2
239.10861	4.6
241.12239	3.5
253.12383	2.8
259.24182	5.0
269.15610	3.1
271.24139	4.7
273.25735	9.7
285.25894	3.3
291.26782	7.1
295.17032	6.4
301.25320	5.1
313.17926	3.7
315.19336	3.9
315.27023	3.7
319.16833	3.2
321.18530	2.9
321.28058	3.1
333.27933	4.8
353.28403	3.6
361.17947	3.6
369.27869	3.3
379.19186	3.5
381.27771	9.8
387.28650	4.0
389.24695	3.8
399.23831	4.8
399.28857	16.5
405.30301	2.8
407.25705	7.3
417.24133	11.2
417.29950	12.0
423.31287	2.8
435.25446	9.4
435.31448	10.1
453.26273	59.4
453.32755	17.7
454.26889	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	452.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
54.13448	0.8
55.01857	1.1
58.68091	1.0
62.06068	2.1
62.18470	1.0
65.03930	1.4
66.92943	0.9
70.75667	1.5
79.05473	4.3
85.02861	1.2
91.05463	11.9
93.03410	2.7
93.07045	2.8
95.04954	3.7
103.05456	18.2
105.07042	5.4
106.04153	6.2
107.04942	32.8
107.08588	0.9
111.65054	0.8
115.05445	3.0
117.03426	0.8
117.07023	2.4
118.04144	1.8
119.04929	4.8
120.05742	1.2
121.06486	12.8
123.04458	2.4
125.05998	2.2
129.07007	4.8
131.04910	12.4
131.08539	2.0
132.05678	5.4
133.02843	1.0
133.06464	2.5
133.10088	1.0
134.03590	2.0
135.04425	1.4
135.08040	6.3
137.05978	8.3
145.06496	1.3
146.07239	3.0
147.04410	1.8
148.05170	5.6
149.05956	18.3
151.07520	5.8
153.09070	3.3
154.06284	1.1
155.06947	0.9
157.06516	2.7
159.04352	1.6
160.05197	1.7
161.05968	68.7
161.09601	18.8
163.07524	38.9
165.05431	5.3
167.07024	38.1
174.06770	2.2
175.07515	7.4
177.05449	14.4
177.09174	1.2
179.06969	6.0
180.07790	13.4
181.08575	32.7
182.09364	1.4
189.09084	48.9
191.07016	22.1
191.08745	1.3
192.07779	13.7
193.08620	3.3
195.08104	1.0
195.10011	0.9
207.10146	100.0
208.10504	1.8
209.08066	38.7
210.08838	2.1
215.88943	0.9
219.10158	4.5
251.10791	1.0
283.09711	1.3
285.11157	2.4
302.11591	1.2
311.12665	2.4
315.12155	2.1
317.13760	5.4
327.12195	2.0
329.13812	2.4
331.15060	1.2
341.13806	6.1
343.15289	7.8
355.15555	1.0
361.16437	32.6
373.16385	10.3
438.55713	1.1
452.22607	1.9
465.08813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65844	1.0
55.01866	1.6
62.06069	1.4
69.35667	8.7
78.04711	1.3
79.05487	3.4
79.28272	1.0
85.02892	1.2
91.05473	11.5
93.03398	2.7
93.07032	3.9
95.04926	2.7
101.06470	0.9
103.05450	10.8
105.07021	4.8
106.04159	5.4
107.04949	23.5
115.05428	2.9
117.07033	1.8
117.56908	0.9
118.04160	1.3
119.04913	2.9
120.05729	1.6
121.06496	11.6
123.04414	1.4
125.05979	1.7
129.06969	4.0
131.04926	10.1
131.08559	1.9
132.05693	4.2
133.06471	1.5
133.10042	1.0
134.03619	1.0
135.04414	1.7
135.08041	5.7
137.05945	6.6
139.29204	0.9
145.06490	1.1
146.07211	2.2
147.04338	1.1
148.05176	4.5
149.05977	14.2
151.07492	4.8
151.11118	1.6
153.09102	2.3
155.06831	1.0
157.06462	1.8
159.04375	1.6
160.05186	2.4
161.05974	56.9
161.09610	13.3
162.06319	1.4
163.03957	1.6
163.07536	39.7
165.05431	3.8
165.09084	1.1
166.06198	1.1
167.05620	2.1
167.07031	36.2
169.12273	1.6
174.06731	3.3
175.07541	6.5
177.05472	12.6
177.08998	1.5
179.07057	6.0
180.07773	10.2
181.08585	27.4
182.09436	1.2
189.09097	42.4
191.07008	22.9
192.07803	11.3
193.08524	2.3
207.10155	100.0
208.10486	1.9
209.08087	37.0
210.08717	1.7
219.10153	3.4
225.08994	1.2
253.08604	1.7
257.11713	1.2
283.08734	1.1
285.11063	2.6
310.23328	1.0
315.12088	1.9
317.13754	5.0
327.12225	2.2
329.13803	2.8
341.13968	5.0
343.15506	7.0
355.14786	1.0
361.16452	32.0
373.16476	11.3
452.11240	3.3
465.40106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01868	3.2
55.05502	3.1
56.05039	1.8
57.03436	12.9
59.05006	1.5
60.04524	12.7
61.02922	3.1
67.05499	4.6
69.03426	10.1
69.07068	5.3
69.34574	4.2
69.34995	8.0
70.06609	1.4
71.01331	1.4
71.04991	12.8
73.02924	17.3
79.05495	17.5
81.03416	3.2
81.07055	100.0
82.07387	2.6
83.04983	8.3
83.08611	2.0
84.08157	1.9
84.15733	1.1
85.02902	19.2
85.09681	1.2
86.06032	1.2
86.09702	3.4
87.00835	1.8
87.04453	1.6
91.05486	4.1
93.07045	23.9
95.01328	1.4
95.04961	3.2
95.08595	7.9
97.02895	9.7
97.06524	1.7
98.09689	10.4
99.04481	2.8
99.08089	15.1
105.01858	3.1
105.07031	6.5
107.04951	1.3
107.08586	6.0
109.02869	4.0
109.06483	1.4
109.10153	7.0
113.02379	1.3
115.03945	5.0
116.10735	9.6
119.04910	1.6
121.06509	1.8
121.10140	35.8
122.09637	1.9
122.10473	1.7
123.08091	2.4
123.11697	6.1
124.07613	2.2
125.09653	1.6
127.03905	9.3
131.08528	1.8
133.06528	2.6
133.10155	2.5
137.05978	3.6
139.11171	4.9
140.10696	10.1
141.01839	1.4
141.09137	3.9
142.12296	1.7
145.04976	5.1
147.04459	1.8
149.09619	18.2
151.11200	7.0
153.05559	1.2
157.12238	1.3
158.11761	67.3
159.02869	1.5
160.13374	3.1
165.09071	2.0
167.07120	1.6
167.10744	2.9
169.12234	75.1
187.13319	4.2
191.14336	1.2
193.08612	8.4
211.09616	17.9
223.13481	1.2
241.14261	6.5
255.15948	2.8
290.16089	3.0
291.17065	1.4
320.17029	20.7
332.10480	1.2
376.08798	1.9
434.09744	2.7
452.10699	5.8
452.21362	48.3
453.22110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2538
Annotation	Dictamnoside K
Peak:m/z	Relative Intensity
51.55178	1.4
53.03935	2.0
55.01861	3.2
55.05504	9.9
57.03442	8.4
57.07063	1.9
60.85972	1.4
61.02913	3.2
63.53374	1.5
65.03931	1.7
67.05500	20.7
69.03409	5.4
69.07069	10.2
69.34344	7.8
69.34777	7.4
70.06563	1.8
71.04988	8.7
71.30256	1.3
73.02901	2.6
79.05477	12.1
81.03413	3.5
81.07051	50.9
83.04984	3.2
83.08616	9.4
85.02906	8.6
85.06526	8.1
88.17075	1.5
91.03954	2.8
91.05473	13.1
93.07038	18.7
95.04948	3.3
95.08603	53.2
97.02884	5.5
97.06532	10.6
97.10174	4.0
99.04459	1.6
99.08055	4.3
103.05454	5.3
105.07036	14.7
107.04981	3.6
107.08591	10.2
109.02866	2.0
109.06509	3.4
109.10146	11.5
111.04437	1.8
111.08064	3.5
113.09634	1.5
117.07025	1.7
119.08566	20.9
121.06525	1.8
121.10130	9.6
122.03602	1.9
123.01608	1.7
123.04404	4.3
123.08052	4.0
123.11756	3.5
125.05931	2.2
125.09622	2.7
127.03907	2.9
129.06955	1.5
131.04922	5.1
131.08546	2.6
133.06451	1.8
133.10109	12.3
135.08000	3.2
135.11681	9.9
137.02284	7.3
137.05981	20.8
137.09605	2.4
137.13254	3.0
138.09090	2.1
145.10106	3.8
147.04370	1.7
147.11694	3.8
149.06064	1.6
149.13237	3.0
151.03807	2.4
151.07611	2.0
157.10100	1.9
159.11705	1.8
161.05992	2.2
161.09500	2.0
161.13251	24.6
163.03876	3.7
164.06908	2.5
165.06938	1.6
167.07031	3.2
168.07169	1.6
173.13255	1.8
177.05318	1.4
179.14314	20.1
181.04965	2.2
185.13277	2.0
186.72598	1.7
191.03348	2.6
197.15355	3.4
201.28825	1.5
203.03430	2.0
211.07513	1.5
235.07108	1.6
253.17909	9.0
271.19031	100.0
272.19312	2.0
285.11127	2.1
287.05206	2.0
313.07214	1.6
315.04935	19.5
341.06390	7.4
397.29767	1.7
433.16547	2.7
433.24133	7.0
451.10120	39.9
451.16113	7.3
452.10236	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	451.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34289	1.1
53.03941	3.3
55.01874	2.6
55.05508	10.6
57.03441	4.4
60.30654	1.5
61.02951	1.5
65.03954	1.6
66.10686	1.3
67.05508	16.8
69.03445	6.2
69.07072	15.4
69.91975	7.8
71.04991	8.2
73.02920	2.2
79.05499	14.4
81.03425	4.7
81.07059	43.6
83.04979	3.0
83.08626	9.6
85.02908	8.4
85.06564	5.2
87.00848	2.2
91.05482	14.8
93.07050	14.7
95.04980	3.8
95.08610	54.9
97.02905	3.5
97.06544	10.5
97.10191	3.5
99.04490	2.5
99.08101	4.4
103.03931	1.3
103.05470	13.9
105.03394	2.3
105.07030	18.3
107.04960	1.4
107.08607	11.3
109.02864	2.4
109.06541	5.2
109.10146	9.6
111.08117	1.2
113.09648	1.7
117.07005	2.2
119.08581	21.5
119.09348	1.9
121.06510	4.1
121.10101	7.2
123.04444	4.4
123.08131	3.7
123.11700	3.7
125.09646	1.3
127.03970	2.5
129.07007	2.1
131.04929	19.5
131.08601	4.6
133.10126	14.3
135.08078	2.1
135.11708	8.0
137.05995	5.9
137.09645	2.7
137.13278	3.9
139.07527	1.8
140.07117	4.0
142.07866	1.7
143.08565	2.8
145.10152	5.5
146.06059	1.8
147.11699	4.7
148.07587	8.5
149.06007	6.6
149.13251	2.1
151.77519	1.4
157.10184	4.0
159.11748	5.4
160.73822	1.3
161.09645	2.1
161.13261	31.3
166.36739	1.4
167.07127	2.1
167.14339	1.8
168.06606	3.8
168.14697	1.7
169.10254	2.1
171.11668	2.4
173.13271	2.1
175.11301	1.4
179.14320	40.9
185.13376	1.3
189.12848	1.6
189.16451	2.0
194.12546	1.2
197.13574	1.3
197.15385	6.7
198.09241	1.8
199.08675	3.0
201.10237	1.3
201.16344	3.3
213.10274	3.8
215.11969	1.9
215.14516	1.2
217.12314	1.5
218.12680	3.3
218.27042	1.2
225.10306	3.6
226.08905	1.6
227.08241	3.9
227.11801	3.0
227.17949	1.4
235.13475	2.2
236.13750	3.4
241.09753	3.6
242.10468	2.4
243.11278	2.8
245.19124	1.4
251.11877	1.7
253.14183	2.0
253.18112	7.8
254.14729	5.1
255.11246	13.3
269.12976	4.8
271.19055	69.7
272.15848	1.5
297.12463	8.6
297.55991	1.4
303.13351	2.2
311.20023	1.7
315.13403	48.5
316.14008	2.1
329.21191	2.7
433.22308	1.7
451.18719	100.0
452.18930	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	451.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61089	0.4
57.03449	0.6
61.02917	0.5
67.05497	0.7
69.03427	1.5
69.43576	3.9
69.74142	0.3
73.02896	0.4
79.05482	1.1
81.03384	0.5
81.07060	1.1
85.02898	1.7
91.05479	1.7
93.07033	1.3
93.12601	0.4
94.06581	0.5
95.04984	0.5
95.08591	0.7
96.08117	0.9
97.02876	0.9
105.07048	0.7
106.06543	1.4
107.08612	0.5
109.10126	1.1
109.94108	0.4
118.06519	2.5
119.07326	0.7
119.08596	0.7
120.08094	12.6
121.10183	0.5
124.07568	7.8
124.08455	0.4
126.09147	0.7
127.03886	0.6
134.06006	5.2
135.04410	0.4
136.07544	3.0
137.05988	1.5
138.05522	1.1
138.09074	0.7
139.03845	0.4
146.05930	2.3
147.06796	2.2
148.07564	9.2
148.08702	0.7
150.09129	0.6
152.07111	1.1
156.72594	0.4
164.07060	56.8
165.07439	1.8
166.08614	1.9
174.12801	0.5
200.10722	1.0
214.10954	0.7
215.15433	1.8
216.10164	1.7
216.12196	0.5
226.12148	0.7
228.10338	0.5
229.13361	1.5
243.14902	7.2
245.16499	2.7
253.13408	1.3
254.11621	1.2
271.14398	19.8
272.14752	0.8
289.15445	100.0
290.15762	4.1
319.07077	0.4
451.10501	1.1
451.15579	17.2
451.20810	2.2
452.15720	1.3
452.21475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35407	1.1
53.03946	1.8
54.04489	1.4
55.01882	2.6
55.05515	1.7
56.96563	1.4
57.03428	9.5
61.02914	13.0
67.05509	4.8
69.03421	16.8
69.69961	6.0
69.70371	3.2
71.01362	1.5
73.02910	66.9
79.05484	2.8
81.03423	8.0
81.07069	3.5
85.02896	90.1
87.04485	1.4
91.03999	2.2
91.05459	1.3
94.06590	1.2
95.04967	5.3
97.02888	38.2
99.04472	2.9
103.03968	4.7
105.07077	2.5
107.04935	1.3
108.08109	6.4
109.02872	13.2
109.06491	1.5
110.06006	1.3
115.03914	9.9
116.98640	2.0
122.06041	4.9
125.06020	5.0
126.05534	4.3
126.09177	4.9
127.03906	23.9
133.05000	4.2
135.04427	1.4
136.07545	13.1
137.05971	7.5
138.06322	2.6
140.03490	1.5
140.07057	74.5
145.04950	43.0
149.05937	1.4
150.07632	4.1
150.09195	4.4
152.07054	10.7
154.08652	4.6
156.10216	9.3
157.10555	4.6
162.05461	1.6
163.05983	24.6
164.07051	17.3
173.03017	1.5
178.08632	14.9
182.08118	100.0
197.10779	1.9
206.08110	51.5
218.08179	5.8
223.05931	2.4
234.07712	1.2
236.09238	4.7
248.09099	13.7
266.10181	6.0
271.09766	3.1
284.11279	12.5
289.11823	18.8
302.12314	46.6
305.42953	1.3
318.15332	1.5
319.15860	2.3
323.04822	1.3
391.14465	2.7
451.16196	3.0
451.22296	9.6
455.94171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1568
Annotation	AN-7
Peak:m/z	Relative Intensity
52.18802	0.2
54.41584	0.2
55.01862	0.3
69.03411	0.4
71.10749	0.5
79.05486	0.4
81.07044	0.3
85.02910	0.3
93.07024	0.2
95.08595	0.4
106.06557	0.5
134.06056	0.4
137.02332	0.3
137.05957	0.4
201.16602	0.2
215.05260	0.7
227.15215	0.2
243.14903	1.9
246.84186	0.2
271.14398	3.1
289.06271	0.3
289.15369	0.2
289.25174	0.3
299.05508	0.8
317.08517	0.7
319.11508	0.8
357.48627	0.2
358.85953	0.2
408.34470	0.2
422.89386	0.2
451.15710	100.0
452.16055	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	451.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29120	0.5
61.60776	0.5
65.05832	0.4
67.05486	0.5
68.33051	0.4
69.03428	0.9
69.58186	3.8
71.17358	0.5
76.00510	0.5
81.03416	0.8
85.02878	1.6
93.07033	0.6
95.08578	0.8
96.44631	0.5
97.02881	0.9
105.06989	0.6
111.62417	0.5
119.08554	0.8
121.02867	0.6
121.10137	0.6
123.04420	1.8
137.02344	1.6
137.05965	2.2
149.05882	1.0
153.01808	1.4
153.05443	3.0
163.03865	0.7
167.07060	0.6
171.02881	0.7
215.05290	0.6
273.07504	0.7
289.07034	1.4
289.10614	1.6
299.05472	1.7
317.08417	1.2
319.11652	0.9
370.09991	1.6
451.10681	5.1
451.15701	100.0
452.10446	0.8
452.15942	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
64.56704	1.5
69.03417	2.4
71.59442	2.8
74.97602	32.7
84.86806	1.5
84.96011	5.7
85.02901	5.1
86.97585	5.9
92.98639	7.8
97.02876	3.0
107.04967	1.7
110.99686	1.6
114.97034	3.1
116.98613	3.7
123.04385	2.2
124.03955	1.9
127.03944	2.8
132.98087	10.4
134.99641	2.8
137.02354	2.3
143.03751	2.3
145.02884	1.8
146.99725	2.5
147.04553	1.7
150.99142	75.4
159.03348	4.1
161.04857	39.2
169.00203	65.5
174.00720	4.9
177.04367	6.2
179.05899	44.1
182.35423	1.6
184.06436	2.2
190.98679	3.9
191.05911	6.1
192.01852	3.5
195.05405	5.6
200.05965	1.8
202.07448	2.3
205.03845	4.5
208.99664	35.2
219.05414	17.9
223.04941	8.3
227.00757	8.4
232.01248	2.7
234.31282	1.8
234.99057	4.2
237.02792	1.8
237.06522	10.0
242.07292	1.7
245.03310	3.4
245.10609	4.8
263.04370	57.9
263.11618	4.7
277.05972	6.5
281.05435	47.3
286.05905	7.7
304.07040	3.4
317.09119	4.1
319.04611	3.0
321.04892	35.0
331.10773	4.3
335.10028	5.3
339.05939	8.9
375.09528	6.9
390.51450	1.7
393.10709	6.9
451.11270	5.7
451.17709	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	451.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.52983	0.3
55.01867	0.6
56.96559	0.5
57.03423	0.8
59.77724	0.3
60.04543	0.3
61.02919	1.1
69.03433	2.3
71.05014	0.3
71.57944	0.4
71.58395	0.4
73.02924	0.7
81.03399	1.3
85.02901	9.4
90.94811	0.3
91.03966	0.5
97.02897	3.3
97.12811	0.3
98.97578	0.4
99.04450	0.5
109.02872	1.3
116.98650	0.5
127.03915	100.0
128.04231	1.6
128.98584	0.4
132.95830	0.7
139.03976	0.3
140.07121	0.4
145.04955	2.5
146.97429	0.3
150.96869	0.6
162.96893	0.4
170.05559	0.3
174.96922	2.0
177.05461	0.4
186.96892	0.7
204.97939	1.0
219.02020	0.3
234.98854	0.5
246.98956	0.9
264.99963	0.5
289.11874	0.4
307.01141	1.0
314.13034	0.5
319.04855	0.7
342.53360	0.3
360.68500	0.4
445.05374	0.3
451.18002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01862	3.6
55.05503	7.6
56.96572	9.6
57.03431	12.6
58.03766	1.6
59.04989	1.6
61.02937	3.2
67.05499	7.5
69.03421	9.9
69.07069	7.4
70.06593	2.3
71.01389	1.6
71.04989	48.8
71.61384	1.6
72.05321	3.4
73.02911	7.3
75.04469	10.7
79.05479	13.3
80.05003	1.5
80.37926	1.2
81.03405	6.3
81.07048	27.3
83.04984	9.2
83.08606	2.4
84.96027	3.0
85.02898	90.0
85.06535	4.8
86.03239	7.9
87.04463	3.4
91.05484	10.1
93.07035	34.1
94.07359	1.6
95.04967	8.2
95.08595	20.0
96.21368	1.3
97.02882	8.8
97.06519	13.6
97.10164	1.5
98.97578	9.6
99.04443	12.2
99.08061	2.0
101.06006	2.6
105.07023	20.5
107.04948	6.1
107.08587	22.0
108.04493	10.2
109.02892	4.5
109.06516	16.7
109.10136	7.6
110.97559	1.5
111.04455	3.9
111.08073	3.9
116.98617	8.5
117.06998	2.2
119.04979	2.7
119.08577	14.4
121.02880	9.4
121.06493	39.5
121.10117	9.1
123.04420	3.1
123.08078	4.6
123.11706	4.8
125.05972	6.2
126.06332	2.5
127.03929	5.0
127.07531	9.8
128.98589	3.4
129.05475	10.8
129.06992	2.2
131.08548	7.6
133.06499	2.6
133.10138	7.6
134.99634	4.7
135.04402	1.9
135.08064	9.9
135.11690	3.6
137.02324	14.8
137.05962	8.3
137.15286	1.4
139.07504	13.2
142.07758	2.9
143.07018	7.3
143.08533	5.6
144.07310	2.4
145.04968	2.3
145.06392	1.6
145.10129	9.5
146.06026	2.3
146.10429	1.9
146.99666	4.0
147.03239	1.9
147.04355	2.2
147.06512	2.7
147.07994	3.1
147.11688	27.1
149.06007	2.6
149.09650	1.8
149.13257	2.9
151.07600	1.8
153.01849	3.8
153.09088	1.8
153.12735	4.3
154.02150	1.7
156.09286	2.6
157.06561	2.2
157.08742	3.3
157.10139	12.7
158.99596	2.2
159.08022	2.0
159.11681	3.5
161.01239	5.4
161.05945	1.7
161.09563	3.0
161.13242	7.0
163.07588	2.0
163.11133	3.3
164.07057	4.1
164.11339	1.6
165.00664	1.6
165.12799	12.1
167.07095	2.0
167.10667	2.2
170.99573	1.8
171.11684	11.8
173.09578	3.4
173.13252	1.8
174.09955	1.4
175.11206	14.0
177.00682	4.2
181.10207	2.9
183.13889	1.9
185.11751	1.6
188.11436	2.0
189.00713	2.4
189.12776	18.0
191.14355	2.2
193.12259	9.8
199.11131	13.7
205.12233	2.6
207.13844	17.9
209.15359	6.6
211.13371	7.1
215.10687	3.4
217.12256	52.9
217.14291	3.3
217.16043	1.9
219.01778	6.6
229.14357	4.4
233.11725	3.7
234.12180	1.9
235.13300	95.4
235.16977	3.8
237.02794	14.1
238.08673	1.4
244.92062	1.7
253.14334	81.5
253.17914	5.6
254.14742	1.7
255.03816	2.0
257.04474	2.9
258.04901	2.6
258.11301	2.1
260.04449	1.6
269.13669	2.4
270.13556	1.8
271.15167	4.6
285.03912	3.2
286.04379	4.1
287.05505	23.6
288.05774	7.2
288.11887	2.3
299.05600	3.4
303.04956	24.4
304.05304	50.9
305.05734	4.8
315.04907	1.8
361.02170	7.4
362.02686	1.7
377.08908	4.9
379.03320	2.6
407.13202	2.8
409.05319	2.3
410.06052	3.3
450.17523	1.8
451.10248	37.6
451.15750	100.0
467.12292	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	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01870	2.7
55.05508	3.9
57.03440	2.5
57.07097	1.4
57.94722	0.9
60.41259	1.2
67.05508	7.6
69.03435	7.1
69.07086	5.4
69.38339	2.9
69.38750	8.8
71.04994	17.5
73.06546	3.2
79.05480	5.1
81.03412	6.3
81.07050	15.5
83.04980	6.3
83.08618	3.8
85.02897	8.8
85.06478	1.1
87.00809	2.1
91.05465	3.7
93.07045	20.8
95.04970	5.5
95.08601	29.4
96.08878	1.1
97.02885	6.7
97.06535	6.4
98.20647	1.9
99.04459	4.7
103.49356	1.0
105.01862	4.3
105.07019	9.0
107.04929	1.7
107.08597	16.7
109.02863	10.3
109.06513	4.9
109.10139	8.6
111.04451	1.1
111.08086	6.0
113.06049	1.4
117.06995	1.6
119.08567	5.6
121.06503	16.1
121.10131	8.6
123.04460	1.5
123.08031	1.8
123.11729	6.0
125.05975	4.4
127.03915	11.8
127.07596	2.4
131.08551	1.9
133.06474	1.5
133.10159	6.1
135.08069	4.0
137.05978	3.1
139.07513	6.6
141.05447	1.2
143.07057	5.2
143.08551	3.4
145.04973	2.5
145.10106	2.7
147.08090	2.0
147.11684	12.5
149.13245	23.4
157.08632	2.9
157.10168	4.9
159.11707	1.6
161.13295	3.1
165.12755	6.7
167.14311	100.0
169.12286	2.9
171.11708	3.9
175.11192	9.0
185.15349	1.5
187.05994	3.8
189.12761	6.2
193.12213	8.0
199.11253	6.3
205.07007	1.2
205.12053	1.1
207.13844	4.0
211.13258	8.0
217.12251	19.8
229.14299	2.6
235.13286	29.5
251.12744	1.2
253.14334	39.6
269.13425	1.3
271.15387	6.2
273.12396	3.1
289.16217	1.6
299.05298	1.2
361.16547	1.8
379.17490	4.3
384.05161	1.2
397.18579	8.2
415.19397	4.2
450.21710	1.9
451.10260	1.7
467.41641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01845	1.8
55.05518	6.2
57.03432	1.7
67.05498	6.4
69.03425	7.4
69.07059	8.6
71.04991	16.3
71.58743	2.6
73.06546	2.4
79.05479	7.2
81.03403	5.8
81.07045	14.6
82.08635	1.2
83.04968	5.4
83.08605	4.5
85.02892	9.8
85.06515	2.6
87.00826	2.2
91.05467	5.5
93.07031	20.4
95.04946	3.9
95.08599	32.0
97.02890	4.2
97.06541	9.0
99.04442	5.2
105.01864	2.9
105.07024	8.4
107.04886	2.0
107.08591	18.4
109.02869	8.6
109.06517	7.3
109.10128	7.6
111.08069	8.2
111.47177	1.1
113.05984	2.0
119.08555	6.2
121.06489	17.7
121.10150	9.0
123.08028	2.2
123.11679	4.9
125.05972	7.2
127.03924	10.7
127.07561	4.4
129.06998	1.5
131.08545	2.0
133.06430	2.2
133.10138	6.2
135.08041	3.9
135.11661	1.6
137.05983	5.6
139.07542	4.8
143.07068	6.4
143.08554	1.8
145.05003	2.9
145.10078	2.8
147.07999	1.8
147.11676	13.4
149.13242	23.8
151.11131	1.3
157.08646	3.6
157.10109	5.5
159.06514	1.6
159.11696	1.9
161.13232	4.2
165.12753	5.8
167.14305	100.0
168.14627	1.5
169.12234	3.8
171.11636	3.7
173.09613	1.8
173.13164	1.8
175.11154	11.6
185.15337	1.5
187.05946	6.0
189.12746	7.4
191.10641	1.4
191.14285	1.5
193.12286	10.1
199.11127	5.6
205.07034	2.9
207.13773	4.6
211.13292	7.6
217.12241	23.0
229.14250	2.6
235.13266	28.0
247.62946	1.3
253.14325	35.4
271.15527	6.0
273.12436	1.6
289.16537	1.6
300.89529	1.3
336.79016	1.2
361.16458	2.5
379.17471	4.5
397.18430	8.3
415.19598	5.7
432.78488	1.5
450.09341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2659
Annotation	Mappain
Peak:m/z	Relative Intensity
54.49824	2.0
55.05513	14.7
57.03417	8.9
57.07065	4.1
58.64908	1.8
67.05500	34.3
69.07059	17.4
69.52234	17.2
70.84368	1.9
71.08603	2.0
73.29166	2.1
75.46355	2.2
79.05476	8.4
81.07043	40.1
82.53226	1.8
83.08630	11.7
91.05473	6.1
93.07018	13.6
94.03581	2.1
95.04955	2.3
95.08594	31.4
96.31244	1.9
96.68027	2.0
97.06507	2.4
97.10153	4.4
98.98434	3.4
105.07006	6.4
107.05481	2.3
107.08596	5.7
109.10150	11.4
113.00004	65.9
119.08562	5.7
119.66586	2.0
121.10110	5.5
123.11696	4.6
126.30966	1.9
130.75513	2.0
133.10097	5.8
135.11687	3.8
137.13251	3.2
147.11678	3.9
155.00998	2.1
161.13243	2.0
163.14703	2.0
169.02589	39.0
187.03551	5.5
245.22664	4.3
263.23605	8.6
287.05496	5.2
313.27454	2.8
337.27338	100.0
449.26031	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1593
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
50.92360	3.9
55.01853	5.0
55.05505	9.0
56.57864	4.0
65.03916	5.5
67.05492	9.9
69.03415	13.0
69.07069	5.3
69.95119	3.6
71.60757	4.0
71.61162	6.5
74.09758	4.3
79.05481	8.5
81.03420	5.6
81.07043	18.7
81.43443	4.1
85.02894	7.6
85.06559	4.7
91.05477	18.9
93.07027	12.7
95.04942	7.1
95.08614	20.2
105.07041	19.8
107.08591	14.5
109.10197	8.3
115.05450	7.2
117.06993	4.8
117.44582	3.9
119.08592	14.5
121.06440	6.3
121.10120	10.6
123.04427	10.5
123.11707	5.2
128.06230	5.6
131.08524	8.2
133.10072	5.8
135.11725	4.9
135.29691	4.9
137.02351	24.8
141.06975	11.8
143.08571	5.4
145.10168	4.1
147.04378	5.3
147.11653	10.5
153.06969	4.2
155.08479	4.2
157.10175	4.9
159.11664	8.8
161.05977	8.1
163.07477	8.4
171.07977	5.8
173.05942	8.7
175.03915	15.8
177.05446	16.7
180.23438	4.1
181.06592	4.2
185.06021	4.9
187.07547	8.0
189.05481	9.3
196.62639	4.0
197.06010	6.9
199.07504	4.8
201.05424	5.0
206.07352	4.5
213.05406	7.1
226.07773	7.4
229.08463	5.1
243.08215	5.2
247.07553	6.8
255.08037	10.6
256.08792	5.0
259.07535	8.2
260.08212	6.6
261.89157	4.3
265.10080	4.4
267.07971	5.8
269.09625	9.5
270.10321	5.2
271.07623	4.6
273.09167	5.9
274.06378	5.0
275.07031	18.5
276.07480	4.7
279.08029	6.9
280.08670	7.5
283.07516	13.6
287.05270	30.6
295.11234	6.9
296.08295	4.4
297.09052	16.3
298.09937	6.2
299.07065	7.3
299.10452	5.6
300.07996	6.6
301.05188	6.7
301.08575	18.4
302.05798	6.8
302.09064	4.1
303.06448	28.1
303.09970	9.3
304.07336	6.0
307.06046	5.2
308.08304	5.2
309.09061	12.0
311.06943	15.2
311.10297	5.6
312.08038	4.7
313.08505	14.0
313.12018	5.6
314.09259	5.1
315.06476	11.7
315.10205	12.3
316.07410	9.4
317.08130	12.8
318.05133	5.3
319.05951	10.6
319.09616	8.2
320.06689	5.2
321.07385	5.4
321.12415	4.5
323.07028	6.3
323.10599	8.0
324.11450	5.5
325.08527	12.3
326.09329	13.0
327.10162	13.1
328.07193	5.1
329.08203	22.7
331.06070	32.5
332.06717	13.2
332.10522	7.3
333.07391	15.2
333.11194	5.0
334.08560	15.4
335.09012	5.6
337.08502	10.6
339.06470	10.5
339.13837	6.5
340.10852	5.3
341.08093	5.7
341.11710	9.5
342.08963	7.3
343.09656	14.5
343.13367	6.5
344.06796	4.7
344.10498	10.4
345.07504	17.0
346.08221	17.4
347.09033	13.2
349.06961	10.1
349.11115	18.7
353.07907	10.6
354.08768	11.7
355.09583	13.3
356.10364	8.0
357.07513	11.3
359.09055	15.2
361.10803	8.2
367.13574	10.4
369.11227	11.3
371.08914	12.3
372.09906	39.2
373.10571	14.0
375.08377	6.6
385.14413	17.8
387.12241	15.4
390.10938	100.0
395.12787	16.0
400.85925	4.8
401.13824	5.7
413.13953	33.3
431.14804	46.0
449.11215	6.4
449.16116	51.1
449.21362	8.0
449.30548	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03939	1.2
55.01865	1.8
55.05497	2.3
55.43959	0.8
57.03424	3.6
61.02916	2.1
67.05489	2.5
67.86048	1.0
68.99770	1.2
69.03403	3.8
70.20930	3.9
71.04967	3.1
73.02910	2.1
77.47028	0.9
79.05475	2.7
81.03410	2.6
81.07045	3.6
83.01335	1.7
83.04939	1.4
83.08601	1.0
84.08117	0.9
85.02894	10.7
90.94828	1.4
91.05460	4.6
93.07035	3.6
95.04946	2.0
95.08588	3.3
97.02873	4.8
97.06504	1.7
98.97533	1.2
103.03931	1.7
105.07034	1.6
107.04927	4.0
107.08575	3.0
109.02840	2.3
109.10103	1.7
115.03876	1.3
116.98595	1.4
119.04901	3.8
119.08571	1.4
120.08116	1.7
121.02857	31.1
121.06541	1.0
121.10098	1.8
123.04375	2.7
127.03885	2.0
129.05522	1.1
135.04388	2.6
135.11668	1.4
137.02350	5.5
137.05936	3.0
137.13234	1.6
144.95740	1.1
145.02792	1.2
145.04956	1.4
147.04367	2.0
149.01134	1.1
149.02299	1.9
149.05867	1.1
150.96846	1.2
151.03847	2.2
153.01810	2.6
153.05492	1.4
158.97418	2.0
158.99675	1.3
161.02322	1.5
161.05949	1.1
162.96806	1.4
163.03908	3.3
165.01797	4.7
167.03432	1.8
167.06972	1.8
168.95853	1.2
169.01268	2.3
173.02441	1.2
175.04002	1.2
176.03369	2.0
176.98402	3.4
177.00526	1.4
177.01865	1.8
179.03467	1.2
181.01334	3.0
183.02843	5.5
185.03860	1.7
186.01665	1.3
186.96906	1.1
187.03862	1.0
191.03383	1.5
193.04895	1.4
195.02856	3.3
195.07689	1.2
195.49239	1.1
199.02325	6.8
200.03123	1.3
207.02925	1.9
211.02353	2.1
213.05460	1.0
216.98006	2.5
221.04401	2.1
229.05052	1.4
234.99005	13.2
237.02869	1.5
241.04927	1.9
252.09354	2.1
252.99973	2.4
255.06474	1.5
257.04547	2.2
258.00443	1.3
261.03992	1.6
269.04538	1.5
271.05942	3.3
277.03452	1.6
283.06021	10.4
285.04065	1.4
286.04733	12.2
286.07678	1.8
287.05499	64.7
287.08862	5.6
288.05841	2.3
291.03830	1.2
293.08011	1.5
295.05881	1.6
297.03839	4.1
297.07602	4.1
299.05472	100.0
300.06223	17.0
301.07019	3.6
303.04959	2.8
311.05432	13.9
311.08920	2.0
313.06964	8.7
317.06744	17.3
317.15668	1.8
321.07404	2.0
323.05411	1.2
324.06088	2.2
325.03406	2.1
325.07007	15.1
327.04910	2.7
329.06519	92.2
330.06897	3.6
337.06992	1.8
339.04755	1.8
339.08566	14.3
341.06494	2.4
349.07019	2.1
353.06528	40.2
359.07675	3.1
365.06622	9.7
367.08011	4.3
377.06509	6.7
383.07599	24.9
395.07538	19.6
403.15375	1.1
413.08588	30.8
414.08655	1.4
431.09677	33.3
433.13834	1.6
449.10657	34.0
449.19724	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	449.1077
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.12061	0.3
50.45589	0.3
53.03932	0.5
55.01863	0.9
55.05507	1.9
56.96564	0.4
57.03433	10.2
57.93561	0.3
59.05002	0.5
61.02919	0.8
62.74407	0.3
65.03937	0.5
67.05492	1.4
67.44382	0.2
68.99790	0.6
69.03426	1.7
69.07059	1.4
70.00353	1.7
70.03758	0.4
70.06577	0.7
71.01331	0.4
71.04987	14.5
72.05313	0.3
73.02913	6.8
73.06557	0.3
75.04475	19.6
79.05484	1.4
79.73135	0.3
80.05797	0.3
81.03413	0.8
81.07058	2.7
81.46431	0.2
81.55854	0.3
82.07392	0.4
83.04982	4.4
84.05304	0.7
85.02898	54.4
85.06535	0.8
86.03236	0.8
86.06052	0.4
87.00876	0.3
87.04468	1.7
91.05458	1.5
92.05765	0.3
93.03462	0.3
93.07043	2.4
94.07403	0.6
95.04979	1.4
95.08585	1.5
97.02871	1.7
97.06518	2.8
98.03165	0.4
98.06862	1.1
98.21461	0.3
98.97570	0.4
99.04441	1.2
100.04771	0.4
101.06011	0.9
103.04005	0.3
105.07005	2.4
106.07372	0.8
107.04945	1.1
107.08570	2.0
108.08921	0.6
109.02859	0.8
109.06504	1.0
109.10134	0.9
110.06860	0.3
110.97554	0.3
111.00777	1.0
111.04430	1.6
111.08041	0.3
113.37425	0.3
115.03932	0.6
117.07022	0.5
118.34065	0.3
119.04939	0.6
119.08598	1.5
120.05278	0.4
121.02855	3.0
121.06493	1.2
121.10152	1.3
122.06801	0.3
123.04402	0.4
123.08038	0.4
123.11702	0.4
125.05980	4.5
126.06320	2.0
127.03924	0.6
127.07553	0.6
129.05476	6.7
129.06976	0.4
131.08548	1.3
133.06477	0.5
133.10110	0.9
135.04352	0.5
135.08047	0.8
135.11697	0.7
136.07549	0.3
137.02322	2.9
137.05960	1.1
139.07530	0.4
139.78860	0.3
140.07890	0.4
143.07025	9.3
143.08292	0.5
143.08522	0.4
144.07350	4.6
144.08499	0.4
144.08958	0.5
145.06444	0.6
145.10127	3.6
146.10466	2.7
146.99594	0.3
147.06477	3.2
147.11632	0.7
149.02313	0.4
151.07474	0.6
151.66733	0.3
153.00676	0.5
153.01814	4.7
157.06505	0.3
159.11691	1.3
160.12039	1.4
161.05965	0.6
163.03929	0.8
163.07462	0.3
163.11134	2.1
164.07053	1.9
164.11520	2.5
165.01830	1.8
167.07030	0.7
173.05885	0.5
173.09575	1.6
174.09952	1.5
175.07553	0.4
177.09149	0.6
177.12740	0.4
181.12274	0.5
183.02887	0.8
187.11145	1.8
188.11554	2.1
189.12776	0.4
191.07007	0.4
191.10634	1.2
192.11003	1.1
193.08536	0.4
195.02901	0.3
198.09982	0.4
201.05432	1.5
205.04791	0.4
205.12225	1.8
206.12567	2.8
209.11734	0.4
213.05424	0.3
215.10649	1.2
216.10989	2.1
224.13573	0.5
229.04945	3.6
233.11754	1.6
234.12044	3.3
237.02689	0.5
244.56096	0.4
247.05939	0.8
251.12764	1.2
252.13104	2.8
257.04407	3.4
269.12842	2.1
269.21243	0.4
270.14148	2.6
274.04745	0.5
285.03909	2.6
287.05539	4.6
287.13989	1.7
299.05527	0.7
303.04968	100.0
304.05301	3.5
315.04935	0.3
327.04688	0.3
357.13284	0.5
374.13531	0.3
413.08499	0.5
449.18484	0.6
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	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.31767	0.3
55.01858	1.1
55.05499	1.5
56.96565	0.5
57.03434	10.6
59.04992	0.4
61.02914	0.7
61.34884	0.3
65.03935	0.5
67.05495	1.4
68.99786	0.6
69.03424	2.0
69.07069	1.5
69.59502	1.2
69.59929	1.2
70.06586	0.4
70.42690	0.3
71.01359	0.4
71.04989	14.1
72.02454	0.3
72.05330	0.4
72.10396	0.3
73.02909	6.8
75.04475	19.1
79.05490	1.5
80.05796	0.4
81.03420	0.7
81.07045	2.4
83.04970	3.7
84.05326	0.5
85.02898	55.1
85.06535	1.1
86.03226	0.5
86.06059	0.5
86.06858	0.3
87.04459	1.5
91.05473	1.2
92.05795	0.3
93.03379	0.6
93.07036	2.2
93.56017	0.3
93.77753	0.3
94.07365	0.6
95.04964	1.5
95.08613	1.8
96.08868	0.3
97.02883	1.5
97.06507	2.0
98.03265	0.3
98.06843	0.6
98.97629	0.6
99.04436	0.8
99.08072	0.6
101.06000	0.8
103.03954	0.3
105.07017	2.4
106.07339	0.9
107.04946	1.2
107.08581	2.0
108.08940	0.9
109.02859	0.9
109.06500	1.4
109.10145	0.9
110.06830	0.4
111.00825	0.9
111.04440	2.0
111.08084	0.3
113.09631	0.3
115.03892	0.4
116.98609	0.3
117.07008	0.7
118.07337	0.5
119.04907	0.4
119.08568	0.9
120.08118	0.4
120.08892	0.4
121.02866	2.5
121.06465	0.9
121.10134	0.6
122.06837	0.7
122.10525	0.3
123.08048	0.6
123.11646	0.3
125.05965	3.9
125.06822	0.3
125.09591	0.4
126.06332	2.2
127.03906	0.8
129.05469	6.4
130.07776	0.3
131.04935	0.6
131.08572	0.9
132.08864	0.3
133.06398	0.4
133.10143	0.5
135.04375	0.4
135.08040	0.6
135.11627	0.5
136.07529	0.5
137.02344	2.6
137.05962	0.9
137.09567	0.4
139.07588	0.5
143.07025	7.4
144.05557	0.3
144.07353	3.6
145.06491	0.5
145.10107	3.2
146.10446	2.6
146.99660	0.4
147.04393	0.3
147.06497	2.8
147.11670	1.2
149.02231	0.4
151.07480	1.1
152.07947	0.4
153.01837	3.6
157.08621	0.4
157.10051	0.3
159.07875	0.5
159.11745	0.7
160.12057	0.8
161.05957	0.7
161.13188	0.5
163.03874	0.8
163.11182	2.2
164.07095	1.9
164.11536	2.4
165.01857	1.3
165.12721	0.4
167.07074	0.5
173.05962	0.9
173.09557	1.4
174.09935	1.4
177.09105	0.9
179.08571	0.4
181.12228	0.6
183.02895	0.8
183.13828	0.5
187.11151	1.6
188.11531	2.4
189.09085	0.3
191.10637	1.6
192.11011	1.7
198.09998	0.5
201.05434	1.5
203.03642	0.4
205.12148	1.7
206.12552	2.6
209.11826	0.4
210.11909	0.3
215.10605	1.1
216.10971	2.6
229.04939	3.7
233.11739	1.9
234.12024	4.0
237.02768	0.8
241.13446	0.4
247.06012	0.8
251.12679	1.5
252.13086	3.0
257.04462	3.6
263.58130	0.5
269.13297	1.9
269.21072	0.5
270.14175	2.5
274.04703	0.6
285.03946	2.4
287.05472	4.5
287.14041	1.8
299.05521	0.7
303.04971	100.0
304.05420	3.2
315.05249	0.4
329.06558	0.6
395.07440	0.4
413.08609	0.5
449.17349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02644	0.5
61.02923	6.8
62.94553	0.3
64.65491	0.4
68.99780	0.5
69.03419	1.1
70.28940	1.5
71.31412	0.4
73.02905	2.0
81.03420	0.4
81.96498	0.4
85.02901	5.2
91.03963	3.5
95.42165	0.4
97.02886	3.8
98.21442	0.4
99.04414	0.4
105.03383	0.5
107.04930	0.5
111.00814	1.0
119.63923	0.3
121.02851	3.9
126.84849	0.4
127.03899	1.0
133.02817	0.5
135.04364	0.4
137.02319	1.1
145.04875	0.5
147.04347	0.8
153.01797	5.4
157.06393	0.5
165.01834	2.4
171.04358	0.5
183.02835	1.4
185.05981	1.0
213.05458	2.0
231.06633	0.6
241.04964	1.2
258.05237	1.3
259.05905	0.7
287.05481	100.0
288.05838	3.7
449.17590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
57.03432	0.3
61.02913	0.9
67.01849	0.5
68.99794	0.3
69.03413	0.3
69.86351	0.7
69.86754	0.4
70.06560	0.2
70.07962	0.2
73.02868	0.2
79.05478	0.4
81.03415	0.3
85.02898	1.1
86.12756	0.2
91.03940	0.7
91.05431	0.2
95.08569	0.3
97.02882	0.7
98.21477	0.2
107.04922	0.4
107.08579	0.3
111.00780	0.3
121.02899	0.5
127.03898	0.2
133.02856	0.2
135.04416	1.1
137.02342	0.9
137.06052	0.2
153.01817	3.6
161.02345	0.3
165.01788	0.3
171.02844	0.3
200.27992	0.2
213.05470	0.6
240.22536	0.2
241.04953	0.5
258.05331	0.4
269.04486	0.4
287.05481	100.0
288.05768	2.4
299.05447	0.9
325.06854	0.3
329.06595	0.6
353.06525	0.4
449.10593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Homoorientin
Peak:m/z	Relative Intensity
50.51571	0.6
50.95187	0.7
52.11411	0.7
55.01866	1.5
59.89273	0.6
66.46355	0.6
68.99803	1.3
71.03622	2.0
81.03442	1.1
83.61075	0.7
85.02875	1.3
103.03957	1.2
109.02934	1.6
121.02842	2.2
121.06483	0.8
135.04393	2.9
137.02342	7.6
141.01822	2.6
143.64935	0.7
147.04410	0.7
149.02333	1.7
161.02348	1.9
163.03906	3.0
165.01828	14.0
167.03423	4.2
177.01826	1.4
179.03391	2.6
183.02861	8.1
187.03900	1.3
191.03375	1.8
195.02872	2.0
203.03391	1.5
205.04962	1.8
213.23734	0.7
214.17978	0.7
215.03391	0.9
243.02788	0.8
245.04401	1.4
261.03888	0.9
271.06021	0.9
272.06757	1.1
278.53561	0.7
283.05978	9.5
286.04758	3.7
287.05484	8.0
295.06064	2.5
297.04282	1.1
297.07568	7.4
299.05484	100.0
300.06186	11.8
301.06854	1.3
309.07657	0.8
311.05450	11.8
311.09171	2.3
313.07065	2.9
321.07565	2.7
323.05496	3.5
324.06274	1.8
325.03589	1.9
325.07010	20.9
327.05026	1.4
329.06522	69.6
330.06882	2.3
337.06979	3.3
339.04782	1.7
339.08588	16.8
340.08829	1.1
349.07117	4.5
353.06552	37.8
354.06900	2.2
365.06531	10.5
367.08060	2.5
377.06598	8.5
383.07590	24.8
384.08173	1.5
395.07605	19.3
395.55594	0.8
413.08636	20.8
414.09094	1.1
431.09729	17.0
432.09781	1.1
449.10825	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03925	0.4
55.01852	0.4
55.77271	0.1
57.03428	0.6
61.02920	1.4
68.99789	0.4
69.03075	0.2
69.03423	2.9
69.64185	0.3
69.64616	0.5
71.04976	0.4
73.02888	0.5
79.05465	0.2
81.03405	1.4
81.07039	0.2
84.08122	0.1
85.02897	8.8
87.04448	0.4
91.03927	0.8
97.02886	3.1
98.20741	0.2
99.04436	0.5
105.03339	0.2
105.07043	0.1
107.04921	0.3
109.02887	1.0
111.00809	0.7
115.03946	0.1
121.02850	2.5
127.03902	1.7
133.02817	0.5
135.08014	0.2
137.02341	0.7
145.04948	1.7
145.06456	0.1
147.04385	0.5
153.01814	3.7
157.06450	0.5
161.05995	0.2
165.01837	1.7
171.04355	0.1
177.09024	0.2
183.02855	0.8
185.05959	0.4
189.05516	0.1
197.05913	0.1
203.07039	0.2
213.05440	1.3
231.06476	0.7
241.04895	0.8
258.05225	1.0
259.06006	0.5
269.04437	0.1
269.12811	0.3
287.05472	100.0
288.05786	2.4
299.05423	0.2
329.06381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.07073	5.7
58.06572	1.5
69.07038	0.5
70.06591	14.4
71.08613	2.4
71.61525	0.6
81.07035	0.7
85.10165	0.8
88.07627	19.6
91.05472	1.6
93.07008	0.8
102.08555	0.9
102.09174	13.7
104.02573	1.3
107.08536	0.8
119.03345	0.5
119.04953	1.0
121.10138	0.6
132.02051	6.3
133.10034	0.5
136.01547	5.1
145.10120	0.6
147.04402	21.9
148.05099	2.0
149.02356	1.3
152.19347	0.5
175.03899	37.2
176.04518	2.1
180.04170	10.1
191.07018	2.5
193.04919	1.5
212.30447	0.5
219.06509	68.6
220.06830	1.8
248.68344	0.5
256.26334	41.4
256.55594	0.6
257.26572	1.3
270.50061	0.5
287.05463	0.8
395.80841	0.5
448.30563	100.0
449.30838	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	449.1075
Annotation	Homoorientin
Peak:m/z	Relative Intensity
68.99802	0.9
69.71619	2.1
69.72038	3.6
79.01839	3.5
81.03403	1.4
82.73121	0.8
85.02905	2.4
96.46474	0.8
97.43921	0.8
98.20747	1.6
104.62691	0.8
109.02827	1.1
135.04417	2.3
137.02335	12.5
161.02255	1.1
165.01816	1.9
167.03409	1.0
169.05016	1.0
179.03391	1.8
183.02934	2.3
187.03900	1.2
189.05472	1.1
194.33035	0.9
213.05473	1.0
217.05032	4.6
224.80792	0.8
229.05020	2.1
233.04517	1.0
235.05949	1.1
241.04959	0.9
243.02914	2.3
243.06534	1.1
244.07175	1.0
259.05936	4.9
261.03973	3.3
271.06036	4.1
272.06799	6.0
279.05063	0.9
285.07611	0.9
286.04752	1.2
287.05453	6.4
287.08200	1.9
299.05487	73.4
300.06219	34.3
301.06915	2.6
311.05499	13.3
313.03613	1.2
313.07047	15.5
321.07602	1.6
324.06369	2.8
325.07022	6.2
327.05008	4.1
329.06531	100.0
330.06976	4.2
332.05844	1.0
339.05029	1.6
339.08585	24.8
340.09158	1.4
341.06354	6.8
343.08005	1.8
353.06531	22.0
353.10754	1.5
357.05948	1.1
359.07486	6.3
365.06522	2.0
367.08008	6.3
371.07715	1.2
383.07520	11.2
395.07617	8.6
396.07880	0.9
413.08618	26.2
414.08667	1.3
431.09714	37.2
432.09641	2.1
449.10773	86.0
450.11169	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69148	0.8
51.17902	0.9
53.03912	1.2
55.01871	1.8
55.05489	2.3
55.14096	0.8
57.03441	7.2
57.03683	1.4
57.08078	0.8
57.32898	0.8
61.02914	1.9
65.56487	0.9
67.05481	2.9
69.03429	4.6
69.07059	8.1
70.57281	0.9
71.04988	11.7
73.02927	5.2
75.04472	10.2
79.05475	5.6
81.03408	1.3
81.07053	7.5
82.87202	1.0
83.04977	15.2
85.02901	32.9
85.06517	3.5
87.04446	1.1
91.05497	5.3
93.07045	9.2
95.04946	3.0
95.08591	3.5
97.02894	2.8
97.06534	16.3
99.04464	7.3
101.06011	0.9
105.07037	11.3
107.04937	3.1
107.08598	12.9
109.06497	3.9
111.04431	1.1
111.08041	1.2
112.26513	1.0
113.05968	1.2
116.06863	1.0
117.06988	2.4
119.04862	1.1
119.08579	3.0
121.06480	3.5
121.10144	4.8
123.04484	1.1
123.08037	1.1
125.05988	36.9
127.03876	1.9
127.07556	3.8
129.05470	4.4
129.06979	1.0
130.07724	1.5
131.08574	5.5
135.08028	2.4
135.11667	2.2
137.02286	1.2
137.05954	2.8
143.07030	100.0
145.04958	1.8
145.10114	24.3
147.06534	2.2
147.08026	1.0
147.11676	2.8
149.09644	1.3
151.07529	4.3
153.01790	1.7
153.05501	1.4
159.08006	1.7
159.11716	7.5
161.05873	1.0
161.09590	1.2
163.07503	1.4
163.11182	11.5
169.10202	1.5
173.09602	11.0
180.08806	1.1
181.12256	3.9
187.11176	17.1
189.12645	1.2
191.10664	13.8
205.12221	20.8
206.12473	1.7
209.11740	3.8
213.82339	0.9
215.10638	10.5
223.13283	1.2
229.05040	1.8
233.11719	22.4
233.15297	1.7
251.12787	19.3
251.15785	1.1
251.16212	0.9
257.04416	1.6
269.13815	15.5
286.17102	1.3
287.05527	2.6
303.04984	56.4
304.05405	2.3
319.18536	1.0
357.13254	2.4
402.85574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09097	0.1
52.96515	0.1
54.74612	0.1
55.05508	0.8
56.05016	0.1
57.03422	0.5
60.04486	0.2
62.06090	0.8
69.03430	0.7
70.06580	0.3
71.04991	0.1
71.62405	0.1
73.02911	0.9
79.05486	0.4
81.03399	0.2
81.07052	1.3
82.06566	0.4
83.08610	0.3
84.08150	0.2
85.02910	1.1
86.06007	0.1
91.05500	0.1
93.07046	0.1
95.08636	0.3
96.08099	0.2
97.02888	0.7
97.05270	0.4
98.06035	0.5
98.09669	0.4
105.07047	0.3
107.08580	0.2
108.08098	0.7
109.06518	1.6
110.06032	0.5
111.06818	0.4
115.03960	0.3
119.08540	0.3
121.10133	0.4
123.08057	0.2
125.08334	0.1
126.09162	1.0
127.03889	0.2
133.10144	0.2
139.06300	0.9
145.10147	0.2
147.11681	0.2
149.09625	0.2
152.07030	0.2
154.08620	100.0
155.08966	1.6
166.56750	0.1
167.10727	0.2
207.13753	0.2
250.18048	0.6
251.08804	0.1
268.15479	0.2
268.19104	0.4
286.10556	0.7
286.20105	0.2
287.05515	0.3
299.05511	0.6
316.13840	0.8
329.06528	0.5
413.08737	0.2
430.24524	0.1
448.18558	0.8
448.25134	0.5
452.48059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20945	2.8
55.01871	6.2
55.05500	4.2
57.02280	2.5
57.03430	9.1
58.84766	2.1
61.02929	7.0
61.27425	2.4
65.03932	4.4
66.07005	2.6
67.05504	14.1
68.71471	2.4
69.03434	13.2
69.07059	11.3
70.06578	2.8
71.04990	8.7
71.60831	4.8
73.02918	20.7
77.46534	2.4
79.05486	17.8
81.03429	5.7
81.07052	27.1
82.72063	2.3
83.04973	17.4
83.08618	3.5
85.02899	29.7
85.06534	5.2
86.09705	3.5
86.74540	2.5
88.21908	2.3
88.33913	2.3
91.05470	24.1
93.07026	35.5
94.29131	2.3
95.04974	15.1
95.08594	20.5
97.02885	19.4
97.06522	20.9
99.04451	7.8
99.67581	2.3
105.07029	43.5
107.04945	15.0
107.08585	29.9
109.02905	5.9
109.06518	37.9
109.10140	3.9
111.04423	5.4
111.08081	5.1
115.03947	4.5
117.07038	10.1
119.04939	11.4
119.08578	52.7
121.06497	21.8
121.10139	10.7
123.04448	2.8
125.05989	26.7
127.03931	9.5
127.07555	4.2
131.08577	11.7
133.06503	9.1
133.10126	7.4
135.08075	8.2
135.11655	15.8
137.02312	3.9
137.05988	24.0
139.07562	8.3
141.05441	2.8
143.07025	18.2
143.08591	4.4
145.04964	8.1
145.06519	9.6
145.10114	56.7
146.06041	3.5
147.04427	4.9
147.11664	29.6
149.02347	3.2
149.06021	4.7
149.09660	3.7
151.07556	4.2
154.10719	2.5
155.06982	2.6
157.08659	6.4
157.10123	4.8
159.08093	6.5
159.11732	23.7
161.05978	2.8
161.09560	3.8
161.13268	5.6
163.11174	64.9
165.12714	6.9
169.10147	10.8
173.09612	40.4
176.96326	2.6
177.09145	4.8
177.12738	2.6
179.08539	5.8
181.12231	18.3
181.65511	2.7
187.11186	44.9
189.12753	6.3
191.10674	19.1
197.09630	13.9
205.12222	26.2
209.11665	6.1
215.10707	49.4
223.13243	6.0
227.12769	13.2
233.11714	100.0
233.15309	5.5
251.12770	94.3
269.13818	17.1
271.06036	4.1
286.08252	17.2
287.05551	35.6
287.08679	3.9
299.05515	12.5
300.06299	5.7
303.05020	10.4
303.08234	3.0
304.05359	4.2
322.74008	2.7
329.06589	16.8
332.14328	3.0
413.08530	7.3
431.09625	7.4
448.15189	3.2
449.10938	16.2
474.68625	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.383
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
50.26813	2.8
54.94500	2.9
55.05508	31.3
57.07071	63.2
67.05501	5.6
69.07060	81.6
69.42166	32.1
70.20938	3.1
71.08623	50.2
73.24060	3.3
81.07034	10.7
83.08615	53.6
85.10167	27.8
88.05669	3.7
91.05418	4.1
93.07050	6.2
95.08580	12.3
97.10165	49.5
107.08569	10.7
108.79273	3.6
109.10123	8.4
111.11711	39.2
119.08607	3.7
121.06498	3.8
125.13264	13.3
135.08041	19.3
137.09595	12.0
139.07538	22.0
139.14801	5.4
149.02322	3.8
149.09570	11.8
151.07516	14.8
153.09068	11.0
163.07536	6.6
163.11186	7.0
165.09102	100.0
167.06966	3.5
169.08638	6.3
169.91495	3.8
177.09125	8.5
179.10583	6.0
181.08601	29.0
191.10660	9.8
192.23383	3.3
203.10706	4.1
205.12195	7.3
271.75015	2.9
334.20746	3.2
355.18066	3.6
429.37283	42.0
447.38284	75.5
448.38245	3.5
461.94061	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	447.3466
Annotation	Nebrosteroid F
Peak:m/z	Relative Intensity
55.05495	5.7
57.07064	3.9
67.05511	7.7
68.51746	1.4
69.03425	2.5
69.07059	11.8
69.85650	3.7
69.86063	6.5
71.36362	1.4
79.05479	10.2
81.07056	23.1
83.08609	5.0
85.02879	3.7
85.06535	3.1
91.05415	7.4
93.07037	23.8
95.04943	2.5
95.08598	45.1
97.02896	2.2
97.06528	3.2
97.10151	3.0
105.07002	17.2
107.08585	50.2
107.09291	3.1
109.06503	3.4
109.10138	26.7
111.08047	3.8
111.11677	1.8
116.88911	1.6
117.07018	2.2
119.07776	2.9
119.08571	32.4
121.10131	54.8
123.08055	4.8
123.11703	15.5
131.08534	5.2
133.10115	23.9
135.08055	2.1
135.11684	38.2
137.09587	4.5
137.13254	4.6
139.07538	1.8
145.10127	12.1
147.11679	26.1
149.02339	6.9
149.13217	15.6
151.07524	1.9
151.14796	1.8
153.09103	6.4
155.10666	1.7
157.10097	4.1
159.11685	16.5
161.09596	1.8
161.13231	29.5
163.11166	2.5
163.14838	14.5
164.10420	1.5
165.09206	2.0
165.12674	1.8
173.13255	11.7
175.14807	10.4
177.16414	10.1
178.27319	1.7
179.14336	3.2
180.55338	1.5
181.12242	10.6
182.10910	1.9
185.13275	2.1
187.14778	12.9
189.12778	2.0
189.16342	27.2
191.17935	26.6
195.13792	2.5
199.14732	2.1
201.16315	9.9
203.14368	3.4
203.17981	13.5
207.13846	2.2
207.17412	3.5
209.15468	2.0
215.17989	5.8
217.19481	3.9
221.15358	10.2
229.19441	7.5
231.21088	2.6
233.15344	2.3
235.16875	2.6
243.21167	1.8
257.22610	25.2
289.21606	2.1
315.23169	2.7
317.50436	1.7
351.30505	2.0
369.31622	2.7
393.31509	5.9
401.30414	2.5
411.32574	100.0
412.32941	2.3
429.33859	68.5
447.35345	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2503
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
53.03941	2.3
55.01852	4.7
55.05508	16.4
57.03189	1.2
57.03436	19.2
57.07059	3.0
65.03919	2.2
67.05502	45.4
69.06721	1.4
69.07066	16.5
70.30753	3.4
71.04964	1.2
71.08614	1.7
79.05058	1.9
79.05484	23.2
81.03411	1.2
81.06577	2.5
81.07051	47.4
81.41473	1.0
82.77937	1.2
83.04958	1.1
83.08617	9.4
85.06508	1.6
85.10137	1.3
91.05471	11.1
92.04517	1.1
93.07034	28.9
95.04922	2.6
95.08600	40.6
97.02886	1.1
97.06529	2.0
97.10150	5.3
98.98466	11.3
105.07037	10.8
107.08586	17.5
109.10147	17.6
111.11657	1.1
113.00010	72.9
117.07000	3.4
119.08566	8.8
121.09319	1.4
121.10139	15.7
123.08069	1.2
123.11695	7.1
131.01012	1.2
131.08554	6.9
133.10080	6.2
135.11690	11.8
136.99991	12.0
137.13220	2.2
145.10120	4.9
147.11647	5.5
149.09630	1.4
149.13264	6.6
155.01041	8.7
159.11661	4.9
160.63377	1.0
161.13234	3.1
163.11221	1.1
163.14821	3.1
169.02589	22.8
173.13219	2.7
175.14783	1.2
177.16370	1.8
187.03600	8.1
187.14845	2.8
193.02634	2.4
201.16425	1.1
211.03633	2.1
228.58533	1.1
237.22150	2.3
243.21107	8.1
261.22116	18.5
261.29572	1.2
268.32175	1.1
279.23148	2.1
311.25742	9.4
317.24826	6.0
335.25778	100.0
336.26068	3.2
421.17371	1.1
429.23907	1.4
447.24866	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	447.1284
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
52.67393	0.3
54.01909	0.2
55.05494	0.4
57.03431	3.2
59.04976	0.3
69.03418	0.6
69.07055	0.6
69.56616	0.3
70.11398	1.4
71.04990	21.6
73.02882	0.3
75.04487	0.6
75.13716	0.3
81.03402	0.4
81.07041	1.1
83.04947	0.5
85.02898	20.0
87.04436	0.5
95.08588	0.7
97.02863	0.5
101.83950	0.3
102.94555	0.3
107.08549	0.5
109.02866	0.4
109.10109	0.4
111.04414	0.6
117.00406	0.3
119.08621	0.4
121.06477	0.4
121.10106	0.5
129.05458	4.6
133.10068	0.3
135.04416	1.6
137.02327	0.6
139.03882	2.2
147.06500	0.5
147.11664	0.8
149.02359	0.3
153.01823	2.0
161.05972	0.3
162.77628	0.3
165.01826	1.2
165.12791	0.3
183.02919	0.5
213.05464	0.3
229.04955	0.7
230.05716	1.9
241.04970	0.6
245.08034	0.4
257.04483	0.5
258.05246	4.0
267.15863	0.6
269.04425	0.8
272.06848	0.6
285.07553	0.8
286.04691	3.7
301.07040	100.0
302.07309	2.0
329.21884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01859	2.1
57.03419	2.9
60.11550	0.9
61.02932	0.8
65.03938	0.8
69.03413	2.4
70.06548	0.9
71.19665	2.3
72.08138	0.8
73.02882	1.3
79.05470	4.4
81.03408	5.5
81.07066	1.1
85.02894	5.6
85.07651	3.0
91.05774	5.1
95.04956	3.1
95.63953	0.9
97.02871	2.3
103.05451	11.2
104.05812	1.2
105.07024	8.6
107.01315	1.0
107.04945	67.1
107.08555	1.1
108.05276	1.1
109.02857	1.7
115.05428	4.0
117.07037	2.2
119.04944	0.8
119.08510	1.1
120.05744	5.2
120.06434	0.9
123.04420	2.8
124.05218	1.7
124.07584	0.8
127.03919	1.3
131.04918	10.0
132.05244	2.6
133.04863	1.1
133.06494	7.4
134.99614	1.2
135.08041	23.4
135.08899	0.8
136.07530	1.3
137.05984	8.7
138.06351	1.0
138.09190	0.9
145.02751	1.7
145.07608	1.8
146.99603	0.8
147.04369	2.4
147.07999	1.2
148.05200	4.6
149.02304	2.1
149.05948	3.0
150.06673	0.8
151.03815	1.6
151.07568	1.4
152.04686	1.2
154.06238	2.8
154.08603	2.5
161.05984	3.8
162.06740	0.9
163.07530	78.6
164.07904	1.8
165.05481	7.9
165.09070	1.1
167.07025	67.1
173.01094	0.9
177.05479	2.3
178.06026	1.1
179.07033	3.7
180.07796	87.0
181.08476	4.8
183.06537	3.0
191.07051	1.0
192.07903	1.1
193.08597	13.7
194.09311	2.2
195.10152	100.0
196.10513	1.5
200.02188	0.8
213.11200	37.7
225.04294	1.8
237.11292	1.1
269.10159	1.9
269.13773	1.6
287.14960	2.5
359.02591	1.1
361.02451	3.5
373.14780	1.2
421.47372	0.9
447.12759	1.2
447.18799	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	447.1283
Annotation	Glycitin
Peak:m/z	Relative Intensity
54.22633	0.2
65.63268	0.1
69.66383	0.4
69.66808	0.6
81.03425	0.2
85.02879	0.2
121.78540	0.1
133.02803	0.2
134.03613	2.3
137.02332	5.4
139.60588	0.1
141.06935	0.5
141.58838	0.1
149.05879	0.1
153.06924	0.1
154.02560	0.2
166.04976	0.3
169.06467	0.5
179.45743	0.1
181.06403	0.2
183.04436	0.3
185.05923	0.2
186.06746	0.5
197.05988	1.7
213.05452	2.7
214.04297	0.2
214.06248	2.8
224.04594	0.1
225.05452	6.8
226.05907	0.1
229.08543	1.1
241.05038	0.2
242.05769	0.7
253.04951	11.6
254.05286	0.2
257.08121	0.5
269.04413	2.1
270.05215	18.0
271.05484	0.4
285.07556	100.0
286.07910	2.6
447.12262	0.2
447.17789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	24.6
56.69293	8.9
57.03439	21.6
58.06610	9.6
60.04510	11.7
67.05498	13.9
69.03418	35.9
69.07066	16.2
70.06582	57.9
70.85142	8.0
71.04985	10.7
71.62006	10.8
71.62386	10.7
73.02907	33.9
79.05473	14.7
81.03412	11.3
81.07055	25.5
82.06594	9.3
83.04942	17.2
84.86390	9.9
85.02902	61.9
85.06545	14.3
86.09700	62.4
87.04459	10.3
87.10024	14.5
91.05476	32.5
93.07010	13.7
95.04964	11.1
95.08593	19.3
96.08124	21.6
97.02901	46.3
97.06503	10.1
105.07047	22.3
107.04990	12.0
107.08562	15.2
109.02832	13.7
109.06493	9.8
110.06017	12.8
115.03919	18.9
117.07069	17.6
118.57378	9.3
119.08582	24.5
121.02869	9.9
121.10040	11.1
123.04417	8.9
127.03884	13.0
131.08551	13.5
133.08458	9.6
133.10139	21.7
134.09659	17.8
135.04439	11.1
135.08130	10.3
145.04964	10.0
147.08005	9.3
148.07503	10.6
149.27203	12.0
150.09172	10.1
152.07071	100.0
157.73657	9.1
165.08990	12.6
167.07053	17.9
176.09195	19.9
183.14888	12.3
249.10861	8.9
255.11032	9.9
266.13873	21.3
266.17709	19.3
268.15042	8.8
284.15021	42.5
284.18558	20.0
285.07599	24.6
286.17493	9.6
309.03976	29.1
315.13379	13.4
339.04965	13.4
393.05859	19.5
395.33032	8.4
428.22629	14.2
429.08154	14.4
446.19757	42.5
447.17584	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01870	7.9
57.03434	30.4
60.04533	2.4
61.02923	11.5
68.99777	1.6
69.03424	44.1
71.01352	3.3
71.04985	4.4
71.18027	2.9
72.04505	1.7
73.02913	69.9
81.03407	22.1
85.02899	100.0
87.00827	18.9
87.04458	2.9
91.03937	2.6
91.05471	3.8
93.07050	3.7
95.04973	2.2
97.02885	64.0
99.04459	10.6
103.03923	1.6
103.05449	4.1
105.01859	16.0
105.07046	1.5
107.04954	4.2
108.04467	8.1
109.02881	23.5
111.91189	1.2
115.03919	39.6
117.01830	3.1
117.07028	2.0
121.06502	10.0
126.05500	5.3
127.03910	52.9
129.01791	1.8
131.04922	1.3
132.06599	2.2
133.04959	14.6
135.08054	2.9
144.06546	2.8
145.04955	43.2
145.06113	2.5
147.02863	1.8
149.05977	15.9
150.07590	7.8
159.02901	14.9
159.07968	1.5
162.07591	2.0
163.03888	1.2
163.06007	8.4
167.07036	6.0
171.08041	1.5
173.05943	1.5
175.07437	1.5
177.04001	1.2
177.96584	1.2
180.08711	5.5
181.08575	53.9
189.03963	2.5
191.07057	3.0
193.04883	1.4
193.08643	8.8
201.09090	2.3
205.08650	3.0
207.10156	2.0
213.03964	3.0
223.06044	4.0
223.09624	2.9
224.30949	1.3
230.06474	2.0
231.05017	9.0
233.08119	1.3
235.09685	1.5
241.06979	6.1
243.10201	2.4
248.07668	8.1
259.08102	3.9
260.36615	1.2
261.11221	3.7
271.09613	2.6
289.10535	3.0
294.11771	1.5
303.05087	2.6
314.15948	1.5
393.11111	1.4
464.96164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43518	1.0
55.01869	2.1
57.03432	40.2
59.04997	1.5
60.04526	1.7
60.45961	1.2
61.02922	15.2
67.05492	1.8
69.03425	36.8
69.35707	3.4
69.36117	10.7
71.01337	4.0
71.05008	2.0
72.04499	2.1
73.02914	100.0
77.64709	1.1
79.05476	1.4
81.03410	4.0
81.07046	1.8
83.04984	1.3
85.02898	58.8
86.09715	1.8
87.04462	3.2
90.99549	1.3
91.03936	2.3
91.18414	1.4
95.08591	1.9
95.26611	1.1
96.04484	1.8
97.02888	58.6
99.04430	2.5
105.07006	2.3
107.04942	14.5
109.02847	5.7
109.06522	2.6
115.03918	47.5
127.03912	18.2
132.06534	4.0
133.04955	16.3
135.04425	1.2
135.08051	19.3
137.05927	2.1
144.06552	2.4
145.04953	26.4
147.11620	2.2
150.07599	7.2
159.08018	1.8
162.07625	1.5
163.06053	6.4
167.07051	2.0
170.58319	1.3
171.08073	1.4
175.07562	1.8
180.08627	5.4
181.08688	1.6
193.04869	2.1
201.09120	1.8
223.06042	5.1
241.06956	6.3
259.08139	4.4
261.11224	2.0
267.15912	2.2
295.10159	3.3
303.04922	11.1
446.20615	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
52.04041	1.2
55.05507	6.8
57.03419	1.3
57.07068	2.2
67.05502	8.8
69.07066	19.4
69.64775	1.5
69.98109	7.6
71.04960	1.7
73.02901	3.0
79.05489	4.0
81.07052	16.9
83.05014	1.9
83.08614	5.1
85.02890	2.2
85.06541	1.5
91.05431	4.4
93.07044	19.7
95.04991	1.8
95.08603	34.4
97.02902	2.8
97.06503	4.0
97.10195	3.5
99.08087	4.8
100.78786	1.5
101.52394	1.7
105.07016	17.7
107.08586	37.7
109.06519	2.5
109.10154	20.6
110.97018	1.5
111.08073	2.5
111.11716	7.4
119.08569	34.9
119.09347	2.5
121.10128	23.0
123.08053	3.8
123.11699	15.5
125.09608	1.9
131.08574	4.5
133.10120	39.6
133.11072	2.9
135.11682	47.0
136.12048	1.5
136.87157	1.6
137.09612	2.7
137.13271	6.7
139.11143	1.5
143.08553	1.8
145.10097	8.9
147.11678	29.9
149.09595	1.6
149.13269	14.0
151.11169	3.7
157.10156	3.5
159.11656	8.2
161.13243	11.6
163.14828	7.8
167.14291	30.1
171.11726	4.1
173.13220	7.2
175.14787	4.1
177.16415	13.8
185.13266	4.7
187.14856	5.1
189.16364	72.9
190.16670	1.8
195.17496	5.5
199.14877	4.7
203.18082	2.1
205.16023	1.7
207.17422	76.5
211.14830	2.3
213.16402	5.4
223.17024	3.4
227.17915	2.0
239.20216	2.1
241.19464	3.5
249.22130	4.4
259.20709	1.5
267.20908	2.2
269.22641	39.8
287.23654	48.7
288.24277	2.0
293.23993	1.8
409.34677	32.4
427.35992	28.4
445.36823	100.0
446.37119	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01852	2.3
55.05516	11.1
57.03419	3.7
57.07056	1.7
59.84171	1.4
66.89248	1.3
67.05167	2.1
67.05503	29.6
69.03397	1.6
69.07057	10.0
70.73221	1.3
71.04981	1.4
71.62871	2.2
73.02876	1.5
79.05493	23.1
81.06589	1.5
81.07053	28.1
83.04971	2.5
83.08590	6.1
85.02880	2.5
85.06554	1.5
91.05456	37.3
93.07039	27.5
95.04940	5.8
95.08601	21.5
95.48533	1.4
97.02836	2.6
97.06485	4.0
97.10149	3.0
105.07023	35.0
107.04964	4.0
107.08586	18.1
109.06496	3.8
109.10130	8.1
111.08074	2.3
115.05436	2.0
117.07002	16.6
119.07774	2.3
119.08566	22.9
121.06503	2.7
121.10156	10.2
123.08047	3.1
123.11679	5.6
125.09606	2.6
128.06244	1.9
129.06998	11.3
131.08560	21.3
133.06456	1.7
133.10136	13.6
135.08015	3.4
135.11673	5.1
137.09630	2.2
138.47102	1.3
139.11137	1.3
141.06952	4.5
141.61829	1.5
142.07797	2.0
143.08566	12.4
145.06407	2.2
145.10129	13.8
147.08037	3.6
147.11639	5.4
149.09557	1.8
149.13164	3.5
155.08533	5.1
157.10103	9.7
159.11674	7.5
161.09612	2.7
161.13255	1.7
163.11147	2.3
167.08522	2.8
169.10098	4.1
171.11665	5.6
173.13246	6.0
175.14838	2.7
181.10054	2.2
183.11658	5.7
185.13237	3.6
187.14803	3.0
189.16362	1.9
191.14296	1.8
191.17909	2.2
195.11681	2.1
196.26050	1.4
197.13135	2.8
199.14700	2.1
203.14281	1.9
207.17410	2.0
209.13208	2.8
211.14847	3.2
215.14310	1.6
225.16307	2.0
227.14226	1.7
233.15387	3.5
245.15318	1.8
247.16971	1.8
261.18423	1.8
325.25180	2.3
335.23666	3.7
336.90765	2.0
343.26193	3.2
353.24716	10.4
359.02945	3.1
371.25723	9.9
389.26901	13.5
408.76160	1.5
427.27582	3.0
445.29340	100.0
446.29971	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01872	2.5
57.03434	2.6
59.06118	2.5
61.02925	2.0
67.05505	3.7
69.03419	6.6
69.07069	2.7
70.06586	11.2
71.60877	1.4
73.02926	2.0
73.04758	2.6
74.95176	1.1
76.82205	1.2
79.05492	4.6
81.03426	3.5
81.07057	3.2
83.04997	1.7
84.08142	1.5
85.02904	12.4
85.06536	1.7
86.09696	9.7
91.05451	4.5
91.05857	3.1
93.07043	6.3
94.06535	1.3
95.04977	9.7
95.08591	3.8
96.08066	1.5
97.02895	4.0
97.06549	1.9
97.89918	1.2
103.05443	1.5
105.07027	12.8
107.04938	1.8
107.08598	4.3
109.02882	2.7
109.06522	3.7
109.10162	1.3
111.04436	16.5
111.08052	1.7
117.07020	4.2
119.04978	2.1
119.08575	11.9
121.02875	9.4
121.06515	4.6
121.10152	5.1
123.08064	4.6
124.07616	2.8
127.03909	2.2
129.06996	2.6
130.07716	1.3
131.04944	2.2
131.08578	7.2
131.11768	1.4
133.06517	6.2
133.10136	2.2
135.08057	4.5
136.07629	1.3
137.05975	1.8
137.09612	2.0
138.09161	1.2
141.06982	2.8
141.76233	1.4
143.08595	3.5
144.09344	1.8
145.02837	2.8
145.04977	1.8
145.06467	1.7
145.10104	8.8
147.08051	10.6
147.11711	2.8
149.06079	1.7
149.09659	3.6
151.07561	2.0
152.01683	1.3
152.07069	12.7
156.09300	1.9
157.10132	2.8
158.07233	3.7
159.08023	7.9
159.11702	8.6
161.09651	5.1
161.13292	1.5
163.07535	1.6
163.11192	2.1
167.05562	3.7
167.08577	1.4
167.10684	4.8
169.10176	1.6
171.11722	2.3
172.08855	3.9
172.11081	2.1
173.09583	2.6
173.13249	2.7
175.07538	11.5
175.11224	1.2
177.05499	5.3
183.11751	2.8
183.14957	2.9
187.11127	6.7
187.13374	1.2
189.09117	4.1
189.12732	1.6
193.08630	15.4
193.10271	2.2
195.02844	3.3
196.08900	1.2
199.11179	7.9
201.12758	1.8
205.12234	1.7
211.11192	4.9
211.14380	1.4
212.14388	1.4
217.12282	5.9
229.12234	5.4
230.15480	6.8
233.04395	1.5
235.13281	2.4
247.13268	18.9
247.15416	1.6
248.16461	4.9
249.27621	1.2
265.14343	100.0
266.14670	3.9
266.17380	2.7
283.09988	2.0
286.17697	1.7
293.08017	1.6
294.05173	2.7
295.06070	11.4
297.07471	1.3
307.05975	5.8
307.09241	1.5
308.06796	3.6
309.07489	1.9
321.07626	5.0
325.07053	17.7
326.07599	1.3
333.07434	1.7
334.08398	2.6
335.09210	2.9
337.07086	9.6
338.07660	1.5
339.08624	2.2
342.99927	1.2
345.07452	2.1
348.06500	1.3
349.06998	4.4
351.08499	5.7
355.08163	3.1
359.02939	4.4
361.07013	2.6
363.08765	3.8
379.08124	13.3
391.08170	10.2
399.08682	2.4
409.09155	21.6
410.09732	1.8
427.10266	6.8
445.09439	13.4
445.20410	4.7
446.09573	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2042
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
55.05505	0.2
57.03442	0.3
63.58250	0.2
69.03415	0.2
69.07042	0.7
69.86266	0.4
69.86671	0.8
73.02903	0.3
79.05474	0.3
81.03397	0.2
81.07046	0.3
85.02900	0.5
85.70251	0.2
91.05831	0.3
93.07014	0.3
95.08580	0.3
97.02888	0.2
98.07342	0.2
99.04457	0.2
99.79396	0.2
105.07011	0.2
105.16907	0.2
107.08591	0.3
109.10160	0.2
119.08685	0.2
121.10130	0.3
131.08583	0.2
137.05948	0.4
137.09639	0.2
155.01974	0.2
155.03178	0.3
167.05644	0.3
167.07034	0.2
171.11502	0.2
173.02968	0.4
191.10641	0.2
198.06772	0.2
199.14470	0.1
201.03644	0.9
219.10178	0.4
244.62758	0.2
265.10648	0.4
275.07565	0.3
283.11920	0.3
313.16315	0.8
333.07892	14.6
334.08282	0.3
335.09366	0.9
339.66940	0.2
343.16309	0.2
359.02936	0.3
445.20419	100.0
446.20825	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2064
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.28732	0.7
52.93008	0.7
55.01861	1.1
55.05501	2.3
57.03425	2.2
61.02928	1.0
65.03931	0.8
67.05487	2.5
69.03426	5.8
69.07052	1.7
70.06588	5.3
71.37704	1.4
72.08174	0.9
73.02900	3.0
79.05490	3.6
81.03393	1.4
81.07049	2.3
81.87656	0.7
83.04964	2.3
85.02904	9.4
85.06525	1.5
86.09708	5.5
91.05452	3.2
91.05872	1.7
93.07054	4.2
95.04967	9.2
95.08603	2.7
97.02858	3.8
97.06522	1.3
101.89974	0.7
105.07033	10.6
107.08571	2.3
109.02895	1.6
109.06504	2.9
109.10170	0.9
111.04447	14.9
115.03918	1.0
115.05434	0.8
117.07007	2.8
119.04923	1.9
119.08572	9.8
121.02876	5.4
121.06501	2.8
121.10132	3.3
123.04388	0.8
123.08083	4.1
127.03896	2.3
128.06261	1.1
129.06985	2.1
130.07716	1.1
131.04903	1.2
131.08553	5.9
133.06490	5.8
133.10104	1.8
135.08044	3.4
137.05981	1.6
137.09641	1.0
139.71683	0.7
141.06937	1.0
142.07751	1.4
142.68724	0.7
143.08557	3.8
144.09279	0.8
145.02829	2.7
145.04948	1.3
145.06470	2.3
145.10117	8.2
147.08038	10.5
147.11699	1.7
149.05997	1.4
149.09622	1.8
151.07565	1.3
152.01637	1.9
152.07086	2.0
153.06995	0.8
155.08566	1.6
155.10623	2.9
156.09367	1.6
157.10126	2.8
158.07281	3.4
159.08041	8.0
159.11696	7.0
161.09619	3.5
163.07573	1.4
163.66942	0.8
167.10674	3.1
168.09286	1.0
169.10095	1.3
171.08018	0.8
171.11693	1.8
172.08833	2.8
173.09673	2.2
173.13231	3.1
175.07542	11.6
177.05502	4.0
183.11615	2.0
185.13136	1.1
187.11197	6.1
189.09050	4.0
189.12766	1.0
190.02545	1.0
193.08611	12.4
193.10153	1.2
195.02908	1.4
199.11139	6.7
201.12735	3.4
203.10622	0.9
205.12402	1.0
207.02942	1.2
211.11191	4.0
217.12206	5.8
219.02753	1.0
229.12250	2.6
230.15363	1.3
235.13255	2.5
247.13278	20.7
248.16287	0.9
265.14337	100.0
266.14676	2.2
268.07343	1.0
283.06134	2.5
283.13797	1.2
286.17719	0.9
292.06808	0.7
294.05130	1.3
295.06024	7.6
296.06693	1.5
307.05887	2.3
308.06726	1.6
309.07178	1.1
321.07486	2.7
325.07053	10.5
327.11676	0.9
333.07666	1.4
335.09021	1.6
337.06982	6.7
349.07086	2.6
351.08606	2.5
355.08170	1.4
359.02798	1.6
361.07095	1.8
363.08701	3.3
379.08096	8.8
391.08078	5.8
399.08755	1.1
409.09149	13.2
410.09308	1.3
417.09891	1.0
427.09863	3.2
445.09476	8.5
445.20453	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
57.03442	0.3
63.58250	0.2
69.03415	0.2
69.07042	0.7
69.86266	0.4
69.86671	0.8
73.02903	0.3
79.05474	0.3
81.03397	0.2
81.07046	0.3
85.02900	0.5
85.70251	0.2
91.05831	0.3
93.07014	0.3
95.08580	0.3
97.02888	0.2
98.07342	0.2
99.04457	0.2
99.79396	0.2
105.07011	0.2
105.16907	0.2
107.08591	0.3
109.10160	0.2
119.08685	0.2
121.10130	0.3
131.08583	0.2
137.05948	0.4
137.09639	0.2
155.01974	0.2
155.03178	0.3
167.05644	0.3
167.07034	0.2
171.11502	0.2
173.02968	0.4
191.10641	0.2
198.06772	0.2
199.14470	0.1
201.03644	0.9
219.10178	0.4
244.62758	0.2
265.10648	0.4
275.07565	0.3
283.11920	0.3
313.16315	0.8
333.07892	14.6
334.08282	0.3
335.09366	0.9
339.66940	0.2
343.16309	0.2
359.02936	0.3
445.20419	100.0
446.20825	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Manglieside B
Peak:m/z	Relative Intensity
53.03937	1.3
55.01850	0.8
55.05510	0.6
57.03422	1.3
61.02936	1.4
67.05485	0.8
68.18282	0.3
68.99770	0.8
69.03071	0.4
69.03427	6.3
69.07026	0.3
70.54557	0.5
70.54936	0.6
71.04983	0.7
73.02901	1.0
79.05485	1.2
81.03413	5.1
81.07061	1.7
85.02902	10.2
85.03418	0.5
85.06493	0.6
87.00826	3.6
91.05394	2.4
93.07039	4.2
95.04955	0.6
95.08591	1.5
97.02894	4.0
97.06502	0.3
97.10182	0.3
98.97535	0.4
99.04450	2.5
99.83470	0.3
103.03926	0.3
105.01854	1.9
105.07028	5.3
107.04922	0.3
107.08590	24.4
109.02879	6.2
109.06520	1.0
109.10146	1.4
115.03934	0.3
117.01799	0.6
117.07029	0.3
119.04907	0.9
119.08580	4.4
121.06480	0.8
121.10150	4.1
123.08086	0.6
123.11691	0.7
125.09644	0.4
127.03912	8.8
129.01802	0.8
129.06989	0.3
131.08556	0.7
133.10126	14.2
135.11665	0.8
137.05945	1.0
137.09598	0.9
139.07573	1.3
143.08539	0.7
145.04945	1.4
145.10172	0.4
147.02879	0.5
147.11671	0.3
149.05980	0.4
149.09618	3.0
151.07558	1.2
151.11168	5.2
159.02876	1.6
161.09596	5.5
163.11180	0.3
167.05592	0.5
167.06943	0.3
167.10670	9.9
179.10664	13.9
181.08600	0.3
183.02971	0.3
189.03932	0.4
191.10573	0.3
197.11722	100.0
198.12057	1.7
207.06421	0.4
213.03961	0.8
213.32565	0.3
217.08546	0.6
231.05017	3.1
237.11055	0.3
258.57800	0.3
283.05991	1.2
290.85977	0.3
321.11490	0.3
359.02832	0.8
359.16998	0.4
388.46161	0.3
427.15829	1.2
445.17200	7.3
445.23267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21855	0.3
53.03923	1.4
55.01854	1.0
55.05490	0.6
55.70786	0.3
57.03439	1.6
57.07074	0.3
59.04978	0.8
61.02907	1.0
62.35743	0.3
64.18481	0.3
67.05486	1.2
68.99766	0.7
69.03424	6.4
70.74204	0.8
70.74524	0.3
71.04961	1.1
73.02893	0.9
75.83984	0.3
79.05475	1.5
81.03410	3.9
81.07047	1.6
83.04941	0.3
85.02899	13.9
85.06528	0.8
86.09686	0.8
87.00358	0.5
87.00828	4.9
87.04487	0.4
91.05402	3.2
93.07040	5.9
95.04945	1.8
95.08570	0.8
97.02887	3.2
98.21349	0.4
99.04427	1.9
103.03886	0.5
105.01860	4.1
105.07023	4.8
107.04928	0.5
107.08583	14.5
109.02869	5.7
109.06494	1.3
109.10135	1.4
113.02410	0.4
117.01832	0.7
117.06991	0.4
119.04932	0.4
119.08588	1.9
121.06503	2.0
123.04389	1.0
123.11674	0.6
127.03905	8.7
129.01785	0.5
133.10120	16.7
135.08020	0.5
135.11676	16.0
137.05919	0.9
137.09579	1.2
145.04924	1.9
145.10141	0.3
146.07277	0.4
147.02908	0.5
151.11139	1.4
155.44753	0.3
159.02856	0.9
161.09590	9.6
163.11151	0.3
167.05508	0.8
173.67094	0.3
179.10658	29.1
185.81497	0.3
189.03835	0.5
197.11714	100.0
198.12044	1.4
231.04973	1.7
238.14366	0.5
307.06168	0.5
313.07037	1.0
325.07175	0.4
337.06839	0.5
338.16959	0.4
359.02780	0.9
367.08188	0.8
409.09021	0.7
427.10092	0.9
427.15662	0.6
445.09528	0.5
445.15472	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	445.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65021	2.5
55.01857	6.8
57.11554	2.4
67.05494	11.8
68.99783	8.8
69.03418	8.9
69.07067	4.8
70.17785	13.7
75.96898	2.8
79.05491	11.9
81.05939	2.8
81.07051	7.3
91.05413	26.5
93.07027	9.0
94.00873	2.8
95.04974	6.7
95.08588	12.9
96.91734	2.7
103.05446	13.4
105.07032	23.1
107.04951	9.5
107.08585	8.2
109.10155	9.1
115.05455	21.4
116.06206	5.9
117.07000	23.0
119.04902	4.7
119.08583	9.4
121.06497	9.2
121.10130	10.2
123.04376	8.5
123.08119	4.7
123.11723	6.0
128.06194	13.5
129.06987	12.1
131.04886	15.4
131.08548	7.0
132.05713	5.4
133.01617	2.7
133.02722	2.9
133.06479	18.8
133.10109	7.3
135.04424	5.2
135.11644	6.5
139.05380	2.7
141.07007	14.0
142.07721	6.8
143.08543	13.4
144.05695	4.9
145.06493	24.9
145.10136	6.9
147.04414	9.5
147.08060	24.7
147.11705	5.1
148.05193	5.8
149.05971	10.6
152.06190	13.4
153.06979	27.6
155.08553	5.2
157.06461	8.3
159.08035	4.8
159.11664	5.7
160.05164	10.6
161.05972	100.0
161.09610	4.2
161.13229	5.5
163.03865	5.6
163.07552	14.7
165.06961	12.0
167.08527	3.8
168.05658	4.9
169.06500	15.8
169.10129	3.6
170.07304	3.2
171.04378	5.0
171.08015	20.8
173.06000	24.4
174.06743	9.1
175.03986	7.3
175.07576	15.1
176.04741	3.5
177.05519	13.2
177.09149	3.8
178.07759	17.2
179.08559	8.6
180.05730	5.5
181.06451	44.1
181.21547	2.8
182.07182	6.3
183.04460	5.1
183.08095	2.7
184.05193	7.2
185.05968	14.5
185.09612	9.0
186.06729	3.6
187.03828	6.7
187.07512	22.4
187.14943	4.1
189.05408	5.7
189.07030	4.9
189.09093	3.5
189.16393	3.2
190.07709	5.0
191.08575	5.7
193.10088	21.1
195.08069	7.2
197.05971	26.4
198.06715	16.9
199.03810	4.1
199.07535	49.3
200.08278	5.3
201.05460	14.8
201.09074	37.2
202.07753	5.8
203.08586	16.2
203.10214	2.9
205.06546	5.3
206.07352	7.0
207.08069	19.3
209.05978	30.3
209.09590	5.6
210.06625	6.7
211.07486	16.5
211.11198	4.1
212.04626	4.8
212.08394	2.9
213.05505	23.4
213.09081	28.4
214.06302	3.3
214.09857	6.7
215.07037	11.0
215.10614	4.9
219.08083	6.4
221.05988	5.2
221.09605	24.9
222.06648	3.5
223.07495	7.4
223.11188	5.5
225.05507	17.8
225.09023	21.1
226.06303	20.4
227.07008	53.6
227.10649	11.6
228.07742	6.6
229.04933	6.7
231.08145	10.0
233.09558	7.1
234.06621	3.3
235.07536	19.5
237.05428	44.0
237.09169	9.5
238.06183	3.6
239.06952	9.1
239.10619	29.4
241.08542	6.8
242.05920	3.3
243.06569	12.7
249.09125	26.0
250.09953	9.3
251.06935	3.2
251.10718	9.2
253.04956	5.1
253.08640	16.2
254.05640	21.2
255.06490	51.1
255.10304	3.9
256.07330	9.0
259.07596	3.4
261.09021	5.5
263.07050	4.2
265.08612	7.6
267.06979	6.0
267.10162	41.5
268.10941	7.7
269.08179	4.2
269.11703	6.7
277.08563	12.9
278.09171	4.1
279.10236	6.1
283.09695	6.2
295.09613	37.5
296.10391	28.8
297.11267	10.8
301.08578	4.3
307.09702	4.6
311.10559	3.8
316.07202	3.1
319.09616	12.8
335.09274	4.3
339.90628	2.9
341.11743	6.8
357.11108	4.2
358.11874	6.0
359.12704	10.6
375.08395	23.0
375.12729	3.1
376.13052	7.2
385.10391	4.8
386.11581	9.3
399.15991	6.3
404.12524	26.5
404.17874	3.7
417.17081	15.8
421.37381	3.1
427.15192	8.2
427.27878	4.1
445.16431	74.9
445.29514	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	444.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
67.05496	1.7
69.07068	9.6
70.01030	5.8
70.06584	4.8
73.06549	2.4
79.05489	1.5
81.07056	2.0
84.67895	1.0
86.09702	100.0
88.07644	7.7
93.07076	2.2
95.08618	2.9
97.10136	1.6
102.09195	4.5
105.07093	1.5
107.08608	2.1
107.34988	1.0
109.10147	2.1
111.55566	1.0
119.08616	1.8
121.10114	1.6
123.11711	1.4
133.10133	1.2
135.11726	1.4
168.13887	1.5
186.14888	79.6
187.15207	1.5
214.14375	30.5
314.19589	22.0
338.34146	10.3
382.37000	2.2
385.80078	1.2
394.66922	1.4
399.28519	38.6
400.29062	1.5
426.31036	1.6
427.28149	6.4
444.31012	1.9
444.35507	2.3
444.40558	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	445.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01867	9.4
55.05505	6.7
57.07066	3.3
66.04717	2.9
67.05499	15.6
68.99794	6.9
69.03426	8.8
69.07057	10.8
79.05495	21.4
81.07059	17.2
83.08614	4.2
89.89215	3.0
91.05423	24.9
93.07026	18.5
95.04962	9.7
95.08603	21.2
103.05453	19.4
105.07037	27.3
107.04974	12.2
107.08579	17.6
109.10171	13.4
115.05429	20.6
116.06230	6.0
117.07036	27.7
119.08594	21.3
121.06528	8.1
121.10137	10.9
122.10458	4.0
123.04445	7.7
123.11697	5.4
128.06221	18.1
129.07018	14.5
130.07758	3.1
131.04944	10.3
131.08592	10.3
132.05675	6.6
133.06476	12.7
133.10115	10.3
135.04448	5.7
135.11716	11.8
135.73380	3.4
136.05212	4.3
137.06020	3.5
139.05463	3.7
141.06990	14.3
142.07695	6.2
143.08588	9.9
144.05743	3.7
145.06483	27.0
145.10135	9.5
147.04401	9.1
147.08023	36.0
147.11713	6.6
148.05139	5.1
149.05949	8.7
149.13232	6.4
152.06213	13.6
153.06963	29.3
154.07813	3.5
155.04929	3.2
157.06497	9.1
157.10130	3.6
157.79916	3.2
159.08049	6.5
159.11674	7.0
161.05974	100.0
161.09633	4.1
163.03976	4.5
163.07574	13.9
164.04645	3.0
165.07047	11.6
166.07835	4.4
166.37393	2.9
167.08585	8.2
168.05679	4.3
169.06480	16.2
169.10158	3.0
170.07224	3.9
170.35864	3.5
171.08037	22.7
172.05228	4.0
173.05942	18.3
173.09637	4.2
173.13342	3.8
174.06758	8.7
175.03969	4.2
175.07570	13.2
175.14928	4.0
176.04755	4.1
176.06369	2.9
177.05466	14.7
177.06828	3.5
177.16318	3.7
178.07773	18.3
179.08574	11.1
180.05658	3.8
181.06468	47.9
181.10150	4.2
182.07281	5.4
183.08086	8.9
184.05205	8.7
185.05983	12.3
185.09569	4.9
187.03859	5.8
187.07565	17.4
189.05458	5.8
189.07004	3.9
189.09062	6.7
189.16324	5.1
190.07816	3.2
191.08530	4.0
193.10077	20.0
197.05957	30.7
197.09615	5.5
198.06688	19.9
199.07518	51.6
200.08311	4.6
201.05484	15.4
201.09114	39.4
202.07755	9.3
203.08607	9.3
205.04927	4.3
206.07323	6.7
207.08025	18.4
207.17467	3.0
209.05965	35.3
209.09598	7.1
210.06776	8.6
211.07532	18.2
211.11226	4.5
212.04654	3.3
213.05481	22.3
213.09079	28.7
214.06418	3.7
214.09839	8.2
215.07042	12.2
215.10605	4.6
217.04889	3.6
218.07298	4.6
219.08037	8.1
221.06085	6.8
221.09628	29.5
223.07553	6.7
224.08322	4.6
225.05634	15.7
225.09076	18.8
226.06281	13.4
227.07022	53.4
227.10587	5.5
228.07756	7.6
229.04913	6.7
229.08675	4.4
231.08069	9.5
233.09468	3.7
234.06577	4.9
235.07526	16.6
237.05429	35.0
237.09177	10.8
238.06279	6.0
239.07071	13.8
239.10695	23.0
240.07837	5.4
241.04976	4.9
241.08659	6.2
243.06491	4.3
243.17271	3.5
249.09140	27.3
250.09853	8.7
251.07039	5.6
251.10625	8.6
253.04857	6.4
253.08569	16.8
254.05705	18.0
255.06548	47.0
255.10214	7.1
256.07272	12.1
259.07452	3.8
261.09213	5.2
265.08585	9.1
267.06906	5.7
267.10181	46.8
268.10904	9.0
269.08218	5.5
269.11765	7.9
277.08597	13.3
278.09372	5.4
279.10306	5.8
283.09811	5.4
295.09644	38.5
296.10458	35.8
297.11414	7.7
305.28748	3.1
307.09604	6.7
312.09750	3.6
319.09732	12.7
329.11752	3.4
333.11340	4.2
334.05017	3.7
335.09161	5.5
335.23752	3.2
343.09528	3.9
343.26135	4.0
357.11200	6.6
358.12048	5.7
359.02850	4.3
359.12793	10.2
375.08487	23.1
376.13000	9.2
386.11334	5.2
399.15939	4.1
403.11551	7.1
404.12512	25.5
417.16782	14.9
427.15250	4.9
427.32123	20.3
445.16446	86.2
445.29391	13.0
445.33676	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	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71824	1.3
53.03935	1.8
54.92162	1.7
55.01857	4.0
55.05506	1.8
55.08031	1.4
57.03433	21.3
57.06857	1.5
57.07071	16.0
59.04996	100.0
61.02917	11.8
62.06087	1.3
66.91926	1.7
67.05482	1.8
69.03069	2.8
69.03423	43.5
70.06577	5.3
71.01328	4.6
71.04987	4.1
71.60201	2.5
73.02911	63.7
78.97452	1.3
81.03410	10.3
81.07052	3.2
84.04458	1.5
85.02901	74.6
85.06528	2.1
86.09684	5.0
87.00813	3.7
87.04452	3.9
91.03934	3.4
91.05386	2.3
91.05847	3.7
93.07026	6.3
95.04944	3.6
95.08590	3.9
97.02885	65.1
97.10175	1.6
99.04478	2.3
103.03898	1.9
105.01865	3.5
105.07012	6.2
107.08582	16.4
109.02873	10.9
109.06496	1.7
109.10130	3.2
115.03927	32.5
115.04726	2.2
115.11189	41.8
119.08578	2.4
121.06483	4.1
127.03906	34.6
133.04956	21.2
133.10106	18.0
133.12227	64.7
135.11707	15.7
137.05951	3.4
145.04938	24.6
151.07607	1.7
161.09595	9.4
163.03912	2.0
163.05949	8.4
166.08664	2.7
167.05516	2.6
179.10648	31.0
181.04912	1.7
197.11717	97.9
199.05823	2.5
223.05984	5.9
237.02716	1.6
241.06984	9.4
259.08191	12.7
277.09143	2.4
294.05246	2.0
295.10245	5.8
295.17471	1.7
303.04965	1.7
313.07007	4.8
325.07120	2.9
337.06985	2.6
359.02750	4.3
367.08240	2.4
377.01498	1.8
391.63855	1.6
397.08948	2.0
409.09348	2.4
427.10165	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78725	0.9
52.46433	1.0
53.09110	1.0
55.05493	1.4
62.18749	1.1
67.05495	1.4
69.03431	1.7
69.07050	2.0
70.62894	3.8
70.63255	1.0
71.16467	1.0
72.01647	1.1
77.93807	0.9
79.05499	1.1
80.58786	1.1
81.07047	2.7
82.58652	0.9
85.02888	1.7
86.43836	1.2
89.91254	0.9
91.05403	1.8
93.07019	3.0
95.04943	1.7
95.08603	1.5
97.02892	1.2
105.06997	2.0
106.07311	1.2
107.04928	1.2
107.08586	3.6
109.10163	2.4
119.08605	2.3
133.10080	1.2
134.10406	1.0
140.04968	1.0
145.10118	1.3
147.11702	1.5
151.07607	1.6
155.06027	13.2
165.09077	3.6
167.05940	2.4
168.06851	1.6
169.07613	21.3
170.06013	1.7
179.06049	7.8
181.07634	2.5
182.08376	1.5
183.05522	11.6
183.09195	1.3
185.07111	6.7
193.07596	8.9
195.05531	16.2
196.06277	8.0
197.07074	17.2
198.05490	4.2
198.07565	1.1
207.05481	5.0
209.07066	2.0
211.05061	1.2
211.08685	4.5
213.06601	19.2
221.07094	14.0
223.04797	1.2
225.06564	33.3
229.06068	16.6
237.06531	3.8
238.07361	2.3
239.04475	1.9
239.08130	17.2
241.06087	2.0
243.07603	4.5
249.06607	4.6
253.06104	3.0
255.07527	2.5
257.05585	3.9
265.06247	1.4
266.18393	1.1
267.07574	10.6
269.05585	3.6
271.07120	24.6
277.06143	7.3
285.08652	18.8
295.07098	23.8
313.08206	21.6
314.08127	1.2
331.09259	3.9
338.14972	2.9
359.02893	2.4
380.16092	6.6
384.15564	28.1
398.17053	15.7
426.12378	0.7
426.16556	31.8
444.17651	100.0
445.18280	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.87389	1.4
55.05510	12.9
55.41370	1.4
57.07078	4.4
64.09155	1.4
66.59561	1.4
67.05499	21.7
67.05832	2.6
69.07068	31.6
69.07424	1.1
70.95229	1.8
70.95584	4.2
71.08628	1.9
79.05483	12.8
81.07057	50.4
83.04988	1.6
83.08621	9.0
85.36417	1.3
91.05472	11.9
93.07044	32.3
95.05008	1.7
95.08604	100.0
97.06493	2.2
97.10172	6.9
99.08083	2.5
100.64120	1.5
105.07032	25.5
107.08591	57.3
108.08888	2.0
109.06514	2.4
109.10152	73.4
110.10503	1.4
111.08054	3.2
111.11713	8.7
119.08578	46.4
121.06530	1.4
121.10139	47.9
123.08084	2.0
123.11702	37.0
131.08601	4.7
133.10120	39.2
135.11688	35.6
137.09602	2.9
137.13252	12.9
145.10114	9.4
147.11678	31.3
147.12764	2.2
149.09619	1.8
149.13266	23.6
151.11156	4.0
151.14825	3.2
152.28429	1.4
159.11655	10.1
161.13249	25.6
163.14803	16.8
165.09129	5.7
165.12863	2.2
167.27269	1.3
171.11694	1.5
173.13287	6.9
175.14833	18.6
177.12819	2.1
177.16374	12.2
179.14371	3.1
179.17917	1.6
185.13301	2.0
187.14851	7.2
189.16386	32.5
191.17950	16.6
199.14738	1.9
201.16437	5.2
203.17947	56.3
205.12329	1.9
205.19571	6.4
207.17448	31.8
209.45695	1.7
215.17932	6.2
217.19487	33.2
219.21082	2.3
221.18980	6.6
229.19540	5.4
231.21063	5.4
233.19089	2.0
243.21205	3.7
245.22665	10.1
247.20570	3.6
255.21155	1.8
257.22638	3.3
259.24368	2.0
261.22089	2.4
266.27692	1.5
269.22644	1.9
271.24335	6.0
273.25754	1.8
283.23996	1.9
285.25800	4.5
287.23615	1.6
297.25821	5.1
311.27267	2.6
315.26843	5.3
329.28586	8.3
330.37842	1.5
341.28412	1.6
407.36716	24.0
425.37811	41.7
443.38730	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	443.3878
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05504	10.2
60.21969	5.3
67.05486	15.4
69.07062	26.5
70.66241	12.3
79.05497	6.2
81.07046	34.2
83.08598	9.2
91.05467	6.9
93.07040	20.1
95.08606	74.3
97.10160	6.1
105.07037	21.6
107.08590	55.0
109.10145	56.8
111.11711	11.6
119.08582	52.7
121.10149	52.2
123.11734	26.3
133.10115	38.8
135.11679	46.1
137.13281	15.5
147.11681	29.7
149.13237	22.8
159.11652	8.4
161.13272	19.9
163.14825	17.9
173.13203	5.4
175.14848	17.6
177.16422	17.6
187.14856	11.5
189.16364	52.7
189.17941	7.3
191.17989	19.5
201.16489	7.5
203.00670	5.4
203.17902	35.8
205.19522	13.4
207.17441	57.9
215.18015	15.2
217.19441	33.4
219.21187	6.4
221.19019	22.5
229.19559	7.3
231.21043	15.0
233.18918	6.3
245.22668	27.1
271.24200	11.4
285.25702	6.0
407.36719	43.9
425.37674	100.0
443.33279	21.4
443.38754	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.26505	2.3
55.05511	11.2
57.07069	6.7
63.22552	2.6
67.05512	18.6
68.52534	2.2
69.07070	31.9
71.11298	2.6
71.11635	5.3
79.05491	9.4
81.07052	46.8
83.04992	3.2
83.08608	9.5
85.10188	2.5
91.05474	11.8
93.07050	32.3
95.08604	100.0
97.03983	2.2
97.10183	10.3
105.07028	25.5
107.08599	60.0
109.10152	64.3
111.08076	4.3
111.11713	7.3
119.08575	51.2
121.10139	51.5
123.11696	38.0
125.09610	3.1
131.08615	4.4
133.10130	45.5
135.11693	46.1
137.09619	3.0
137.13252	17.3
145.10132	7.2
147.11700	37.3
149.13232	26.2
151.11195	6.5
151.14787	2.6
159.11688	11.0
161.13261	28.2
163.14838	19.2
169.03241	2.2
173.13304	4.9
175.14836	26.1
177.16357	15.5
179.17986	2.6
179.68343	2.5
187.14824	8.6
189.16382	51.7
191.17935	22.9
200.41434	2.3
201.16441	7.2
203.17950	38.0
205.19490	18.2
207.17436	56.7
215.17921	12.7
217.19508	36.3
221.19002	32.7
229.19450	7.8
231.21082	16.4
243.21170	5.6
245.22655	25.6
245.76891	2.6
247.20555	7.1
247.73575	3.3
257.22684	5.1
259.24170	3.9
269.22531	4.2
271.24179	16.8
283.24161	3.5
285.25854	5.0
407.36783	31.8
425.37833	67.6
443.33594	6.3
443.38818	95.1
444.39111	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	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38619	0.9
53.99273	1.0
55.01864	1.2
55.05510	4.9
57.07068	1.9
67.05498	11.1
69.07066	11.3
70.04253	3.5
70.04653	2.3
70.22389	1.0
74.02316	0.9
79.05482	5.6
81.06573	1.7
81.07052	26.3
83.04995	1.9
83.08623	6.6
91.05479	6.2
93.07043	16.7
95.04982	3.8
95.08604	55.5
97.06525	6.1
97.10197	3.5
98.20826	1.6
99.08102	1.6
105.07032	21.5
107.08589	27.5
109.06523	2.9
109.10151	29.2
111.08099	3.4
111.11728	1.6
119.08576	37.7
121.06504	1.8
121.10137	25.3
123.08065	5.6
123.11698	18.1
125.09630	2.3
131.08575	5.4
133.10123	25.0
133.11060	1.5
135.08040	2.5
135.11693	20.0
135.12698	1.6
137.09653	1.7
137.13260	12.0
139.07590	4.9
139.11176	1.9
142.07779	1.1
143.08513	1.8
145.10110	6.1
147.11676	17.9
147.12759	1.3
149.09612	1.6
149.13206	8.7
151.07536	1.3
151.11266	2.0
151.14926	1.7
153.12759	1.3
157.10191	4.2
159.11748	6.1
161.09677	4.0
161.13258	7.5
163.14807	5.6
165.09167	1.8
171.11720	4.0
173.13264	11.3
175.11276	3.8
175.14816	25.3
175.16232	1.4
177.12755	1.3
177.16415	2.0
179.10753	1.2
179.14331	2.9
187.14838	1.9
189.12827	1.9
189.16368	51.8
190.16791	2.0
191.17957	27.5
191.19571	1.8
199.14819	8.8
201.16522	1.5
205.15910	1.7
207.17456	16.6
209.18974	9.0
217.15871	16.6
217.19550	4.3
233.15355	1.2
235.16910	33.6
235.20691	3.5
237.18616	2.0
241.19536	2.0
259.20435	1.3
261.22235	1.8
268.89230	1.0
285.22092	1.6
294.15482	1.0
305.21249	2.6
307.22861	1.0
319.22879	2.9
342.57361	1.1
349.91437	1.0
397.34729	8.4
404.26816	1.3
415.35602	13.8
425.34750	4.7
443.35120	100.0
444.35724	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05505	3.3
57.07073	2.2
65.33086	1.5
67.05499	9.7
69.07060	11.2
69.30515	1.8
69.30835	19.6
79.05484	4.0
81.07069	12.2
83.08645	4.5
85.06566	1.8
87.04478	2.6
91.05462	3.1
91.18697	1.6
93.07050	10.2
95.04947	1.7
95.08596	26.9
97.10137	2.1
99.08089	2.3
105.07019	8.8
107.08595	22.6
109.06546	2.5
109.10155	18.2
111.08031	2.2
111.11740	5.3
119.08561	17.7
121.10130	20.9
123.08101	2.8
123.11736	10.4
125.09631	2.2
128.25549	1.8
131.08545	4.1
133.10138	16.9
135.08058	2.3
135.11694	10.0
137.09627	3.4
137.13277	2.8
143.08542	2.5
145.10104	7.9
147.11705	13.3
149.09612	4.8
149.13289	7.5
157.10150	1.9
159.11749	6.1
161.13223	9.0
163.11180	18.2
163.14857	3.8
165.12846	1.9
167.14310	18.2
171.11705	1.6
173.13306	5.5
175.11079	1.7
175.14883	2.1
177.16370	8.6
187.14789	10.0
189.16402	4.3
191.18033	2.1
195.17506	5.0
201.26157	1.7
203.14368	3.1
205.15855	24.9
205.19682	2.1
207.17455	1.8
219.17509	2.8
223.16942	2.2
245.03136	1.7
267.21143	2.7
285.22086	39.7
361.51016	1.7
407.33151	6.2
425.34479	20.2
443.34396	100.0
444.34891	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	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.36879	0.7
54.04582	0.7
55.05493	1.7
57.07062	1.7
65.47798	0.8
67.05512	5.4
69.07058	4.9
69.56267	4.3
69.56674	1.8
71.04989	2.7
76.00477	0.9
79.05492	2.6
81.07051	12.7
83.08617	2.5
85.06546	2.8
91.05494	2.9
93.07040	8.8
95.08597	20.4
96.48766	0.9
97.06541	1.4
97.10181	2.2
105.07024	8.2
107.08579	14.7
109.06530	1.7
109.10149	16.1
111.06453	0.9
111.08086	2.8
111.11700	1.2
119.08564	13.3
121.06500	1.1
121.10126	13.0
123.08061	1.0
123.11697	6.4
125.09634	0.9
127.11218	0.9
131.08559	3.2
133.10127	11.4
135.08092	1.1
135.11691	12.7
137.09612	1.4
137.13242	3.5
143.08559	1.6
145.09097	1.1
145.10110	6.6
147.08081	1.3
147.11655	8.5
149.09627	1.7
149.13228	4.8
151.11226	1.5
157.10143	3.2
159.11681	6.3
160.52193	0.8
161.09680	1.0
161.13237	7.6
163.11136	1.2
163.14861	4.2
167.10664	1.1
169.10117	1.3
171.11719	2.9
173.13245	3.6
175.14868	3.9
177.12749	4.1
177.16391	2.5
183.11685	1.2
185.13292	3.2
187.14807	5.2
189.16339	7.0
191.17982	2.5
197.13341	0.9
199.14830	3.2
201.16428	3.6
203.14294	6.6
203.17996	5.2
205.08612	1.3
205.15915	2.9
205.19550	2.2
207.17358	4.2
211.14757	1.2
213.16241	1.5
215.14465	1.2
215.18048	1.3
217.15912	2.1
225.16225	1.0
227.18016	1.6
231.17451	1.1
235.16959	1.3
241.19489	1.2
253.19531	1.6
271.20642	2.4
273.22086	2.1
281.22672	1.1
285.22180	0.8
310.04123	0.8
351.26874	0.9
397.31073	2.3
407.33060	6.2
425.34869	4.1
427.66174	0.9
443.35269	100.0
444.35635	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
56.96540	1.4
57.03428	0.8
61.02898	0.9
69.03413	3.1
69.69238	1.7
69.69659	2.5
71.04976	0.7
73.02902	1.4
77.41474	0.6
82.06536	0.8
85.02903	5.6
85.06516	1.1
86.06061	1.2
97.02889	3.0
98.05968	0.7
98.21560	0.8
98.97565	2.5
99.04413	0.7
104.07132	0.7
109.02882	1.1
110.06044	1.0
116.98581	2.2
122.07185	0.6
126.05405	0.7
127.03866	1.7
128.07076	1.3
133.07620	0.9
134.99631	1.3
136.07585	1.1
137.05956	0.9
139.03873	2.3
140.07056	1.2
142.08621	2.3
145.04947	1.5
147.09172	23.8
149.10730	1.3
151.08678	5.6
158.99678	0.9
161.02942	1.0
161.04733	0.9
170.05168	0.7
175.08672	9.1
177.00691	0.7
177.05426	1.2
177.10277	0.6
189.04173	0.7
191.08162	6.1
193.09714	9.0
195.07669	4.9
209.09251	3.7
211.10750	10.4
213.08691	37.7
214.09003	0.6
216.07283	0.5
219.01721	0.8
219.07597	2.9
233.06635	1.0
236.10207	0.9
237.02803	2.3
237.08693	17.6
245.05055	1.4
254.11391	0.9
255.09752	100.0
256.10126	2.5
263.06015	0.8
281.11343	1.1
303.60751	1.1
321.08560	0.6
322.14078	1.1
385.09772	1.2
425.20261	1.2
443.21347	94.5
444.21664	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01890	0.5
52.66903	0.5
54.03470	3.3
55.04240	2.8
56.96548	0.6
57.03425	0.4
61.02922	0.8
69.03434	2.6
69.63979	2.3
69.64408	1.5
73.02908	0.7
80.05022	0.7
81.04533	20.1
82.04850	0.8
82.05315	9.1
85.02905	3.6
91.07854	0.5
97.02866	1.3
98.97594	0.8
99.04450	0.5
108.05598	1.1
110.07127	0.5
116.98597	0.7
122.07143	100.0
123.07927	93.3
123.55761	0.5
124.08261	0.8
127.03907	0.9
135.12788	0.6
137.06004	1.4
144.04791	1.2
145.04915	0.7
149.02110	0.5
160.04283	2.6
165.07709	3.9
172.04282	1.4
237.02840	0.7
281.10654	55.7
282.10941	1.1
317.08475	0.9
323.11752	1.2
443.16092	90.2
444.16428	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05492	0.9
61.02902	0.5
67.05500	1.6
69.03421	1.9
69.07071	2.3
70.11515	1.1
70.11913	0.8
71.05005	0.6
79.05489	1.2
81.03402	1.2
81.07059	3.3
81.91884	0.4
83.04985	0.6
83.08615	0.6
85.02909	2.4
85.06542	1.5
87.00808	0.6
88.93297	0.5
91.05489	1.2
93.07040	2.6
95.04962	0.8
95.08605	2.5
97.02896	1.0
97.06512	0.5
98.20839	0.5
99.04459	1.0
99.08105	0.5
105.07020	2.4
105.79257	0.4
107.04941	0.8
107.08584	2.7
107.56123	0.4
109.02901	0.8
109.06538	0.8
109.10136	2.5
111.04420	0.5
111.08119	0.5
119.08590	2.0
121.06527	0.4
121.10100	2.0
123.08043	0.9
123.11703	0.8
125.05974	0.5
125.09628	0.7
127.03929	1.2
127.11155	0.6
129.06924	0.6
130.07831	0.5
131.08578	0.8
133.06512	0.6
133.10138	1.2
135.08029	0.6
135.11681	1.3
137.05965	1.1
137.09613	1.2
137.13307	0.5
143.08527	0.8
145.04881	0.4
145.10124	1.2
147.11667	0.9
149.09628	0.7
149.13266	0.5
151.07539	1.0
155.60347	0.4
157.10188	0.7
159.08051	0.6
159.11694	0.8
160.78847	0.4
161.09679	0.5
161.13255	0.9
163.11156	0.5
165.09111	3.8
165.12767	0.4
167.07002	1.2
175.07486	0.6
175.11169	0.7
175.14861	0.6
177.16307	0.8
183.11638	0.5
185.04202	0.5
185.13237	0.5
195.13577	2.1
199.14754	0.7
201.16516	0.6
205.12311	0.7
211.14792	0.5
214.06306	0.4
219.01558	0.4
223.13072	0.8
227.05278	0.6
231.22810	0.4
258.33762	0.4
263.16400	0.6
273.75830	0.4
281.17477	0.7
285.18607	0.6
296.21866	0.4
354.54135	0.4
357.18802	8.2
381.18967	0.8
399.19849	27.1
423.85248	0.4
425.26639	0.7
443.18866	100.0
444.19223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
54.16747	0.9
55.01853	2.1
55.05502	2.2
56.96553	0.9
57.03434	23.9
61.02635	1.1
61.02925	12.1
65.59707	0.8
66.22848	0.8
67.20981	1.1
68.93828	1.1
69.03075	2.0
69.03426	28.1
69.07068	2.0
70.76705	3.1
71.01327	2.6
71.04984	2.3
71.08630	4.8
73.02914	46.2
81.03423	6.6
81.07056	1.3
83.04974	1.5
83.08617	2.2
85.02900	100.0
87.04471	2.1
88.11301	1.3
89.06039	1.3
91.03943	5.3
93.07008	1.0
93.69938	0.8
94.20274	0.9
96.13960	0.9
97.02888	43.7
99.04455	5.1
100.07603	0.9
100.11242	5.4
103.03915	1.5
109.02883	9.1
111.04408	1.4
115.03155	1.7
115.03928	29.8
116.67124	1.0
127.03909	34.5
128.07028	1.0
132.06593	1.8
133.04971	10.0
145.04955	60.3
150.07622	3.2
163.06009	24.2
170.15408	8.8
177.09178	0.9
182.15404	5.5
198.14864	6.3
210.14848	5.1
223.06020	4.1
228.15897	1.5
241.07187	5.4
245.18582	1.4
259.08133	3.7
263.22183	1.4
293.19568	4.3
295.10349	3.0
316.13675	2.6
317.14090	4.8
337.21298	2.8
355.22256	1.7
424.31674	6.0
442.25385	2.2
442.32718	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83621	0.9
53.03923	1.0
55.01871	7.2
55.45124	0.9
57.03438	15.0
57.07065	1.6
59.04992	1.0
61.02924	12.2
61.29157	0.9
65.07105	1.0
69.03428	32.9
69.07071	1.9
69.48129	3.3
69.48554	5.6
71.01344	3.0
71.04979	1.6
71.08627	2.0
73.02918	64.9
81.03419	6.9
81.07017	1.2
85.02905	100.0
87.04470	3.9
91.03951	3.8
95.04966	1.0
97.02892	56.2
98.97581	1.3
99.04439	1.6
101.02397	1.0
103.03939	4.2
109.02880	7.8
115.03933	32.2
125.72876	1.2
127.03915	32.4
132.06551	1.2
133.04962	45.0
134.05222	1.1
145.04955	50.7
147.61150	1.0
148.78166	1.2
150.07632	3.9
157.04964	2.1
163.06015	33.7
163.07379	1.6
165.05482	1.1
193.04953	1.2
196.17249	1.0
199.06035	1.4
217.07027	1.6
223.05966	6.9
241.07077	9.4
259.08084	10.9
277.09219	3.2
293.19528	2.9
295.10245	2.7
317.96436	1.1
343.16284	1.1
442.24982	4.2
443.19568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01854	3.4
55.05492	1.9
56.96556	1.8
57.03435	28.7
61.02923	12.4
61.32765	1.0
65.81229	0.9
67.05502	5.7
68.05824	1.0
69.03425	31.8
69.07069	3.0
71.01344	2.3
71.04999	4.6
73.02914	51.1
74.45515	1.0
79.05467	4.1
80.05806	1.0
81.03410	16.1
81.07050	8.6
82.03761	2.0
82.07380	2.2
83.04990	1.3
83.08615	1.2
85.02900	100.0
86.03250	1.2
86.06029	1.0
87.04464	1.9
91.03928	3.7
91.05466	2.7
93.07045	6.2
94.07368	1.8
95.01291	1.0
95.04952	3.2
95.08591	5.7
96.08932	1.0
97.02885	49.7
97.06540	1.3
98.21544	1.8
99.04455	5.5
103.03920	1.8
105.07011	4.0
107.04945	3.1
107.08579	3.9
108.05268	1.3
109.02868	8.5
109.10152	1.8
115.03154	1.8
115.03930	27.7
116.10739	1.5
119.08568	2.8
121.06469	2.0
121.10160	2.4
122.10415	1.4
123.04467	1.2
123.08045	2.3
127.03913	34.5
128.04256	1.0
131.08530	1.3
132.06564	1.2
132.08897	1.5
133.04958	9.4
133.10110	1.9
135.11673	2.6
139.03915	2.1
141.07036	1.0
145.04955	55.1
145.10120	1.2
150.07591	3.9
150.13509	1.2
159.11697	1.9
160.12038	2.0
161.13246	1.0
163.06009	21.7
167.06993	1.1
173.13264	1.1
175.14824	2.0
177.12787	1.3
177.16414	1.3
178.12987	1.6
187.11089	1.1
193.05031	1.6
194.16136	1.0
196.14091	1.2
205.12288	1.1
223.05975	3.8
230.17497	3.4
241.07074	3.6
241.14337	1.7
242.14708	3.7
259.08115	4.1
262.15213	1.6
279.15897	2.0
280.16190	4.2
293.19598	2.5
295.10190	3.0
298.17316	2.2
326.16846	2.1
333.34595	1.2
360.01709	1.2
424.19882	1.2
425.21796	1.1
442.21408	5.8
442.31494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67443	1.1
53.03932	3.7
53.96186	1.2
54.04293	1.1
55.01857	3.9
55.05504	2.8
57.03432	27.9
57.07066	1.1
59.24611	1.0
61.02928	11.4
67.05502	6.3
68.05830	1.4
68.36216	1.0
69.03428	32.5
69.07053	4.1
70.39896	1.2
70.61533	2.3
70.61908	3.4
71.01338	2.6
71.04979	3.5
73.02911	52.3
79.05489	5.5
81.03420	15.9
81.07060	10.0
82.03767	2.8
82.07364	2.3
83.04953	2.6
83.08596	1.3
85.02901	100.0
85.06519	2.7
86.03250	1.9
87.00824	1.3
87.04460	4.3
91.03949	5.2
91.05463	3.7
92.05796	1.6
93.07034	7.6
94.07368	2.4
95.01299	1.4
95.04960	4.9
95.08595	7.8
96.08889	1.9
97.02884	53.7
98.03195	1.6
99.04441	4.6
103.03905	2.3
103.05466	1.1
105.07019	4.0
106.07349	1.8
107.04949	5.0
107.08582	5.8
108.05280	1.2
108.08905	1.5
109.02854	10.9
109.06546	1.7
109.10143	1.6
115.03923	36.9
116.10707	2.3
116.98609	1.2
117.05463	1.3
117.07011	2.1
119.08564	2.6
121.06524	1.7
121.10141	3.8
122.10471	1.4
123.04420	1.6
123.08059	2.7
124.04711	1.2
127.03909	38.8
131.08554	2.1
132.06560	1.7
133.04967	10.5
133.06419	1.2
133.10106	3.2
135.11681	4.4
136.11978	1.8
137.05968	2.3
137.09642	1.3
139.03943	2.0
145.04950	62.0
147.11818	1.3
149.13269	1.9
150.07620	3.3
159.11665	3.0
160.12067	2.1
161.13289	1.5
163.06006	23.9
163.14787	1.4
169.10153	1.9
173.13248	1.4
177.05531	1.1
177.16342	2.4
178.13074	1.2
187.11267	1.7
188.11565	2.8
193.04968	1.7
201.16359	1.2
209.15341	1.3
223.06056	5.4
230.17514	5.2
241.07129	5.2
241.14394	1.7
242.14658	4.6
259.08093	5.1
260.65561	1.6
279.15878	2.3
280.16168	5.2
293.19434	2.4
295.10263	2.9
298.17319	3.0
326.16812	1.4
328.08197	1.3
442.08594	1.7
442.20874	6.6
442.31479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
55.05496	4.4
57.03447	7.9
57.44438	1.7
58.13852	1.8
61.02920	10.5
62.25074	1.8
67.05495	2.8
67.54615	1.6
69.03427	21.1
69.07054	4.0
70.06572	1.6
71.04981	4.9
71.61352	2.8
73.02908	11.7
73.06525	2.2
79.05477	2.5
81.03412	9.2
81.07050	3.5
83.08609	5.8
85.02901	100.0
87.04437	3.4
91.03953	5.5
91.05492	1.8
93.07057	3.0
95.08581	2.9
97.02886	26.0
97.06555	2.6
99.04444	5.2
105.07063	1.9
107.08565	2.5
109.02885	9.9
110.07150	2.0
115.03888	2.8
119.08496	1.8
121.10112	2.0
124.07613	2.1
127.03913	29.1
127.07550	2.0
129.12767	2.1
133.10074	2.4
135.08017	1.8
142.58279	1.7
145.04953	51.7
148.09589	1.5
153.09001	2.4
157.08611	2.3
163.06012	24.7
181.35686	1.7
193.04953	4.6
194.05302	4.9
209.11729	1.8
241.16101	1.6
245.10423	1.6
245.13855	3.2
245.58405	2.0
271.06360	2.1
322.09085	2.3
399.16010	4.0
442.20590	8.0
443.15097	8.9
460.60037	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.9299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
57.03436	6.8
60.04522	4.8
61.02941	5.0
69.03426	14.5
70.64259	10.8
71.04988	6.0
71.95262	7.1
73.02924	9.9
74.06085	5.9
81.03416	6.1
83.04982	8.8
84.04495	9.3
84.08118	8.5
84.96033	51.5
85.02900	18.3
95.01338	4.5
97.02892	22.9
98.97580	66.0
102.97031	10.0
110.07077	4.0
110.97576	13.1
111.04432	7.0
116.98619	92.1
119.01891	15.4
128.98584	25.5
131.00189	8.3
131.01895	4.0
134.99658	70.6
138.05469	6.4
139.02904	3.7
143.00134	10.9
145.03455	6.2
146.99657	34.6
149.01180	5.3
153.00766	21.7
157.03554	6.2
158.99590	7.1
161.01253	17.2
161.02969	4.9
162.99193	7.0
165.00723	10.1
170.99747	4.3
173.03120	5.5
175.02661	4.7
176.87695	3.5
177.00784	9.6
178.01143	4.7
186.99136	11.3
189.00734	5.3
191.02246	5.0
199.48018	4.2
201.00800	7.5
219.01802	14.8
221.05074	10.9
228.98532	5.3
237.02855	33.3
238.03125	11.1
240.93962	4.8
242.98640	6.0
243.51401	4.4
245.05031	10.3
245.91049	4.0
246.05251	5.8
246.91222	7.6
255.03903	23.0
256.04227	4.5
258.99948	8.8
263.06293	5.8
270.98895	4.7
274.97427	5.8
277.01059	13.4
281.96552	4.4
286.96432	5.1
293.97995	5.2
297.53400	4.8
298.93887	5.6
299.09756	7.3
299.97995	5.3
303.97076	5.3
308.94540	5.9
313.92725	4.7
319.95535	5.9
324.63229	5.7
324.94305	5.4
325.98560	4.7
338.96484	5.5
340.28207	5.0
347.95154	5.9
350.46124	4.8
356.96936	23.2
357.96964	9.4
359.58823	5.1
369.95291	7.5
372.96045	5.2
378.94128	7.2
381.07248	13.9
382.07523	14.5
382.95358	5.3
384.27689	6.3
389.62607	6.0
394.64990	6.3
395.44986	6.7
396.45850	6.2
397.96887	8.1
399.08023	19.5
400.08661	20.9
400.30176	5.6
408.90356	6.8
411.95062	7.6
412.28711	6.2
418.91696	13.2
420.99506	6.0
430.94040	5.9
436.92972	11.1
441.09363	7.3
442.09561	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	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05497	4.2
66.94331	2.5
67.05493	6.0
69.07059	8.7
69.42986	3.3
69.43307	29.4
81.07062	20.0
91.05504	4.6
93.07037	12.2
93.82759	2.4
95.08591	26.4
97.10169	4.1
105.07034	6.3
107.08568	17.6
109.10143	17.0
119.08590	13.0
121.10130	19.6
123.08115	5.6
123.11673	16.6
133.10138	11.2
135.11676	12.2
137.13258	6.8
145.10136	4.2
149.09605	4.6
149.13275	7.9
156.42392	3.4
159.11674	6.1
171.11755	3.0
173.13283	5.4
175.14851	4.6
189.16415	7.8
194.49541	2.8
201.16394	5.2
207.17506	4.5
213.16365	3.0
217.19589	4.2
219.17444	7.5
235.16971	3.2
301.25308	3.9
331.44461	3.2
405.23282	3.0
405.35364	4.7
423.36221	10.5
441.28143	4.8
441.37299	100.0
442.37543	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.5
57.07052	8.0
60.92832	2.5
64.31733	2.4
67.05506	20.6
69.07072	24.4
70.13148	5.1
70.13553	10.7
70.21983	2.3
71.08593	3.1
71.13183	2.8
72.28244	2.6
79.05487	14.8
81.07053	70.7
83.08614	8.6
91.05476	12.1
93.07034	26.4
95.04942	3.9
95.08598	100.0
96.08934	3.2
97.06502	3.3
97.10203	5.2
98.20858	3.2
105.07012	22.3
106.78483	2.5
107.08587	38.9
108.08878	2.5
109.06509	4.4
109.10142	44.0
111.08067	5.5
111.11676	2.8
117.06998	5.7
119.08588	28.3
121.10139	37.5
123.08049	7.1
123.11708	33.6
125.09660	3.7
125.67836	2.8
131.08560	11.6
133.10132	27.1
135.11697	27.8
137.09615	6.4
137.13242	45.0
143.08551	5.2
145.10130	14.9
147.11676	18.0
149.09593	4.0
149.13240	19.6
151.14859	2.8
154.07631	2.6
157.10115	8.1
159.11655	21.6
161.09607	3.8
161.13257	18.9
163.14812	13.2
169.10117	3.1
171.11684	9.6
173.13228	9.1
175.11292	3.1
175.14816	12.4
177.16362	12.2
179.17909	2.6
183.11676	3.9
185.13196	7.9
187.14847	8.2
189.16336	13.2
191.17924	16.9
193.19685	3.3
199.14879	3.9
201.12688	4.3
201.16370	13.0
203.14417	3.9
203.17996	16.3
205.19426	6.1
210.34001	3.2
213.16306	5.4
215.17905	11.5
217.15823	6.9
217.19513	8.9
219.17407	10.3
227.17909	3.4
229.15906	3.9
233.19008	7.7
234.85165	3.1
243.17351	4.3
245.19073	4.5
245.22527	4.0
249.18292	2.9
261.18558	4.8
271.20572	2.9
285.21921	3.5
328.68280	3.1
395.33197	3.5
405.30853	3.4
423.31564	5.3
423.36938	20.6
441.32813	21.1
441.37158	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05521	6.8
55.40244	1.8
57.07081	9.4
63.84443	1.8
67.05494	17.1
67.56052	1.8
69.07071	11.5
71.08629	6.6
71.62150	2.9
79.05497	8.1
81.07050	30.0
81.07497	2.2
83.08647	6.2
85.10207	3.3
89.06041	8.6
91.05458	10.0
93.07028	20.9
95.04970	5.1
95.08600	68.3
97.10171	4.9
99.08106	2.1
105.07012	15.1
107.08588	28.3
107.09164	2.3
109.06555	3.0
109.10152	31.1
117.07069	3.5
119.08565	22.1
121.06483	13.2
121.10114	18.3
123.08063	22.4
123.11665	16.1
125.09688	3.4
131.08601	8.4
133.08672	5.5
133.10101	16.6
134.08754	1.9
135.08122	4.6
135.11687	17.9
137.09648	2.8
137.13235	18.7
139.07622	3.1
145.10115	15.8
147.11674	23.1
147.12595	2.0
149.09683	5.5
149.13354	7.0
151.11229	4.2
151.76349	1.8
157.10139	4.8
158.10970	2.1
159.11703	16.5
161.13208	10.4
163.14893	7.2
165.09114	5.2
171.11766	4.2
173.13287	16.1
175.14803	11.4
177.11290	3.2
177.16463	4.6
187.14880	6.4
189.16388	12.9
191.18077	6.3
201.16388	15.4
203.18047	5.7
205.16003	2.4
207.17461	16.9
213.16446	4.3
215.18044	4.6
217.16025	4.8
217.19713	2.9
219.17430	76.1
291.23273	4.9
315.18286	6.9
423.37067	10.6
441.37585	100.0
442.37866	7.4
451.80649	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05501	19.4
57.03415	4.3
57.07071	15.6
67.05499	28.2
69.06724	3.0
69.07065	47.8
70.04381	11.9
71.08613	6.7
71.50279	2.0
79.05479	13.4
81.07051	51.8
83.08611	20.3
85.10168	2.9
87.04453	2.7
91.05459	9.4
93.07043	31.9
95.04955	3.0
95.08597	100.0
96.00900	1.9
97.06503	3.1
97.10157	16.1
102.67200	2.1
105.07026	21.8
107.08591	51.2
109.06467	4.7
109.10143	73.8
111.08057	5.0
111.11701	12.8
115.71115	2.1
117.07010	2.8
119.08571	50.3
121.09313	3.3
121.10130	56.0
123.08025	5.5
123.11699	40.3
125.09592	4.3
131.08513	9.8
133.10110	36.9
135.08026	3.5
135.11671	34.8
137.09581	2.5
137.13231	19.5
139.11172	3.2
142.07755	3.0
143.08521	8.0
145.10097	20.6
147.11688	19.7
149.09625	2.9
149.13243	26.1
151.14786	3.3
156.09274	2.7
157.10083	12.3
159.11662	28.3
161.09634	4.6
161.13251	20.1
163.14825	16.2
171.11668	9.7
173.13239	19.2
175.11140	2.9
175.14812	21.2
177.12711	2.7
177.16360	11.3
179.14310	4.6
179.17941	2.2
185.13223	8.5
187.14778	10.3
189.16357	17.4
191.14308	2.3
191.17941	17.5
193.15811	6.8
193.19563	3.9
197.13095	2.3
199.14767	10.8
201.16347	8.9
203.17940	6.7
205.15791	3.9
205.19429	9.0
211.14728	3.7
213.16319	10.1
215.17963	6.5
217.15791	7.3
217.19496	7.3
219.17383	7.0
219.21004	5.4
225.16275	3.4
227.17833	4.9
229.19585	2.3
231.17390	8.2
231.21042	16.9
235.16885	15.9
239.17870	4.3
241.19530	2.8
243.20995	3.0
245.22653	2.9
248.07515	2.3
249.18466	2.3
253.19586	2.0
257.22717	2.1
269.22601	15.2
271.20578	2.3
271.24002	2.7
281.22583	2.4
295.24084	4.1
309.25797	2.9
313.24841	3.8
321.25705	2.6
323.27203	3.1
327.26694	3.5
331.26083	2.2
335.27347	3.4
345.27728	7.1
349.35110	2.1
395.36530	4.5
405.35184	42.3
423.31787	3.1
423.36215	31.1
441.37338	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.55624	2.1
55.05507	18.3
57.07066	9.1
62.12455	2.1
67.05502	24.6
69.07059	37.1
69.54240	19.5
79.05465	11.6
81.07046	54.8
83.08610	14.8
91.05476	8.0
93.07043	28.0
93.82006	2.2
95.04989	3.0
95.08597	100.0
97.06516	2.5
97.10170	7.3
98.21471	3.8
99.88358	2.1
105.07011	24.7
107.08582	51.6
109.10145	79.6
111.08044	3.2
111.11713	11.3
117.07013	2.8
119.08572	49.3
121.06475	6.7
121.09303	4.3
121.10130	57.7
123.08027	3.0
123.11697	30.1
125.09646	2.5
131.08600	7.3
133.10106	30.2
135.08081	3.3
135.11699	33.8
137.09584	4.3
137.13225	17.1
143.08594	5.5
145.10120	19.4
147.11652	19.7
149.09601	5.4
149.13245	24.8
150.13376	2.2
151.14799	3.5
156.09373	2.7
157.10130	8.8
158.10966	2.3
159.11667	23.4
161.09637	4.2
161.13249	13.1
163.14816	10.5
170.10895	2.5
171.11739	11.8
172.12463	4.1
173.13239	15.9
175.11256	2.5
175.14757	13.8
177.12796	5.0
177.16412	6.8
181.45160	2.3
185.13298	4.3
187.14792	13.7
189.12703	2.7
189.16383	16.3
191.14250	3.0
191.17899	23.3
193.15894	4.2
195.38730	2.3
199.14784	8.9
201.16377	7.5
203.14270	2.3
203.17902	9.6
205.15846	6.4
205.19493	16.2
207.17448	4.5
211.14760	3.4
213.16377	9.9
215.18022	6.6
217.15912	8.1
217.19495	7.9
219.17332	5.9
219.21103	2.7
227.17915	3.2
229.19492	3.0
231.17395	5.5
231.21051	8.2
235.16988	10.6
241.19550	4.2
243.21028	3.0
245.22585	7.6
269.22632	5.6
271.24350	3.5
405.35098	50.9
423.31607	3.4
423.36282	35.1
441.37405	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.59843	0.8
55.05502	5.1
57.07059	2.4
59.56543	1.1
67.05499	7.3
69.07059	9.0
69.94580	5.6
71.08601	1.0
79.05501	3.5
81.07049	13.3
83.08632	4.0
83.79735	0.9
91.05492	4.2
93.07039	11.4
95.04965	1.0
95.08599	37.5
97.06534	1.8
97.10175	2.6
98.20768	0.9
105.07014	8.2
107.08589	18.7
109.06527	3.3
109.10148	19.1
109.10816	1.6
111.08081	2.2
111.11732	2.2
112.40833	0.9
117.07053	0.9
118.79724	0.8
119.08566	16.4
121.06519	1.9
121.10132	12.3
123.08051	16.7
123.11709	8.2
125.09641	2.8
131.08626	4.1
133.10104	13.3
135.08064	3.5
135.11676	13.4
135.12556	1.3
137.09642	2.3
137.13216	6.0
143.08554	1.5
145.10112	7.9
147.11664	15.5
149.09621	1.5
149.13255	5.2
150.71780	0.8
151.11209	3.0
157.10063	2.0
159.11676	8.8
161.09660	1.4
161.13263	6.3
163.14880	3.4
171.11723	2.0
173.13275	10.1
175.11101	1.1
175.14790	4.4
177.12759	1.4
177.16437	1.6
185.13287	1.3
187.14890	4.1
189.12788	1.3
189.16362	17.6
191.17984	3.9
199.14960	1.3
201.16367	12.6
203.18042	2.9
205.19588	1.2
207.17429	17.0
213.16362	2.1
215.14374	1.3
215.17990	3.7
217.15944	2.3
217.19533	1.1
219.17424	59.1
220.17740	1.2
231.21162	1.5
233.15370	1.6
233.19052	1.9
243.21071	1.3
255.21234	1.6
269.22772	2.3
273.22153	1.3
283.24069	1.2
295.24258	1.2
308.75461	1.1
331.26437	1.9
345.27933	2.7
367.30020	1.3
395.29346	1.9
405.31207	1.5
423.37280	4.7
441.30612	4.5
441.37442	100.0
442.37924	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
54.70749	1.4
55.05514	9.9
57.07070	4.3
57.67301	1.4
67.05496	12.1
69.06733	1.5
69.07068	21.8
69.60624	1.6
70.73144	5.0
75.77354	1.6
79.05486	6.6
80.32744	1.6
81.07055	40.3
83.08619	9.6
83.50673	1.5
91.05457	5.3
91.66958	1.7
91.83190	1.6
93.07043	18.7
95.08598	58.2
97.10165	3.3
99.04442	3.4
99.47454	1.7
101.05999	4.5
105.07030	11.6
107.08590	27.6
109.06513	2.5
109.10149	32.2
111.11732	6.0
114.26065	1.5
117.07017	1.8
119.08565	20.9
121.10139	34.6
121.83540	1.6
123.11707	25.5
125.13247	2.3
127.07573	2.3
131.08516	2.8
133.10124	23.2
133.50426	1.8
135.11676	18.6
137.13243	13.3
145.10107	5.0
147.11693	12.4
149.13235	9.1
151.11177	3.8
151.14769	3.1
159.11711	4.9
161.13297	12.0
163.14818	5.1
167.10678	2.3
173.13269	3.9
175.14856	9.5
177.12817	2.3
177.16418	3.6
181.12315	2.4
187.14825	3.9
189.16379	7.3
191.17938	3.9
195.13853	2.4
201.16360	1.7
203.17953	4.3
205.19524	3.8
217.19580	7.7
218.95204	1.7
223.16910	4.6
231.21155	7.0
235.16937	2.0
243.21207	2.3
245.22655	12.3
257.22610	8.2
271.24203	10.9
273.25858	2.7
285.25909	3.6
289.21664	2.1
303.23209	6.2
317.24857	2.7
356.92477	1.9
357.28394	2.1
381.55191	2.0
441.37256	100.0
442.37549	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	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05513	16.3
57.07066	4.8
67.05504	18.9
69.07065	33.2
70.82533	5.9
71.55902	2.7
79.05492	12.8
81.07058	56.5
83.08620	13.1
84.27896	2.1
85.47216	2.1
91.05486	8.9
91.11710	2.2
93.07041	24.1
95.04974	2.7
95.08604	90.9
97.10162	7.9
99.04449	3.8
101.05986	2.8
105.07034	14.6
107.07877	2.8
107.08595	51.5
108.07276	2.4
109.06625	2.2
109.10151	56.3
111.11704	9.6
117.06991	3.0
119.08576	33.4
121.10151	45.8
123.11697	30.6
133.10127	35.4
135.08078	2.6
135.11690	27.6
137.13246	25.5
137.22948	2.3
145.10120	6.0
147.11635	17.7
149.13203	16.7
151.11063	3.0
151.14827	2.7
153.09087	4.3
159.11722	5.7
161.13239	16.4
163.14838	9.3
167.10704	6.0
173.13264	6.3
175.14827	10.4
177.16412	6.4
187.14793	8.3
189.16405	6.7
191.17926	7.2
195.13838	5.6
203.17987	6.6
205.19591	14.2
215.17957	6.2
217.19540	7.3
219.21185	3.3
221.15179	2.7
223.16887	11.9
229.19550	4.9
231.21069	9.1
235.17101	3.5
243.21240	4.8
245.22624	22.0
249.18484	4.0
254.09084	2.8
257.20148	2.8
257.22507	11.1
259.24274	3.9
263.19940	4.5
271.06860	2.6
271.24139	11.4
273.25900	3.3
277.21585	2.9
285.25851	7.8
303.23227	8.2
317.24710	3.4
331.26465	3.0
361.25443	2.4
395.58371	2.7
423.36243	2.5
441.37296	100.0
441.44785	8.5
443.28867	2.6
450.37146	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03944	0.4
55.05505	1.6
57.07074	1.3
65.03932	0.3
67.05505	2.6
69.03416	0.5
69.06722	0.4
69.07067	5.4
71.08640	0.3
71.33064	0.6
79.05476	1.4
81.07053	7.2
83.04984	1.5
83.08609	2.4
85.06533	0.5
91.05500	1.4
93.07044	4.0
95.04944	0.8
95.08603	13.6
97.06502	0.7
97.10163	0.8
99.08112	0.3
101.71660	0.3
105.07030	3.0
107.04926	0.3
107.08595	9.5
109.06519	1.1
109.10152	7.7
111.08067	0.9
111.11683	0.9
114.41586	0.3
117.07037	0.3
119.08581	6.0
121.06497	1.3
121.10137	7.6
123.08072	1.3
123.11710	6.0
123.76850	0.3
125.13262	1.2
131.08563	1.2
133.09239	0.3
133.10127	5.6
135.08047	4.6
135.11685	7.7
137.09613	1.0
137.13254	2.6
139.11169	0.4
145.10130	1.8
147.08034	0.5
147.11673	3.4
149.09612	10.0
149.13251	3.0
151.11139	0.5
151.14816	0.6
157.10115	0.9
159.11703	2.3
161.09604	0.7
161.13240	2.7
163.11188	2.2
163.14793	1.5
165.12761	0.3
171.11716	1.2
173.13272	2.3
175.14803	2.4
177.12791	0.7
177.16391	2.4
179.14323	1.0
185.13312	0.7
187.14804	1.8
189.12772	0.6
189.16371	3.7
191.14302	0.5
191.17957	1.4
199.14795	0.6
201.16418	1.0
203.14302	0.7
203.17921	0.7
205.15909	0.6
205.19466	0.5
211.14809	0.3
213.16408	0.7
215.17972	1.0
217.15948	0.8
217.19548	0.5
219.17354	0.4
229.19472	0.3
231.17467	0.6
231.20926	0.3
233.19019	2.2
235.16980	3.6
241.19582	0.9
243.21141	0.8
247.20670	0.8
255.21095	0.6
259.20602	0.5
267.21051	0.6
269.22665	0.9
271.24200	0.6
273.21994	0.4
283.24289	0.5
285.22223	1.0
287.23688	5.0
299.23801	0.4
303.23175	0.9
306.47327	0.3
325.28741	0.3
327.26816	0.3
339.26724	0.3
405.35571	0.6
423.36105	1.7
441.37250	100.0
442.37546	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05516	1.6
57.07052	1.1
65.03938	0.2
67.05498	2.6
69.03414	1.1
69.07063	3.9
70.65047	0.2
70.97977	0.6
72.28537	0.2
79.05495	1.2
81.07050	6.4
83.04974	2.3
83.08614	1.2
85.06521	1.0
91.05482	1.4
93.07034	4.1
95.04433	0.3
95.04938	1.3
95.08598	13.1
97.06528	0.4
97.10171	0.7
105.07030	2.5
107.08588	8.5
109.06529	1.2
109.10146	6.9
111.08078	0.6
111.11732	1.2
119.07778	0.5
119.08574	5.0
121.06517	1.0
121.10132	7.4
123.08045	1.8
123.11701	4.3
125.09606	0.4
131.08524	1.1
133.10120	3.8
135.08060	2.7
135.11673	8.5
136.12029	0.3
137.09621	1.3
137.13235	3.2
139.11240	0.5
143.08496	0.3
145.10095	1.5
147.07997	0.3
147.11674	2.4
149.09608	10.6
149.13249	2.9
151.11182	0.5
155.08432	0.3
157.10101	0.8
159.11682	2.4
160.55104	0.2
161.09647	0.7
161.13249	2.4
163.11153	1.4
163.14848	1.7
165.12738	0.4
171.11700	0.4
173.13293	2.1
175.11142	0.7
175.14792	2.8
177.12752	0.9
177.16396	3.5
179.14334	0.6
182.98198	0.2
185.13261	0.5
187.14804	1.0
189.12724	0.5
189.16383	4.1
191.14307	0.6
191.17937	4.9
195.95723	0.3
199.14828	0.7
201.16318	0.4
203.17961	1.1
205.15929	0.4
205.19501	1.6
207.17444	0.8
213.16318	0.6
215.17906	3.0
217.15878	0.9
217.19576	0.6
219.17499	0.3
227.17984	0.3
229.19576	0.8
231.17371	1.3
231.21094	0.4
233.18991	4.9
235.16797	1.2
241.19554	0.5
243.21066	0.7
245.19119	0.7
247.20570	0.5
255.21037	0.5
259.20670	0.3
259.24191	0.4
261.22110	0.7
269.22610	0.9
273.22064	0.4
283.24292	0.3
285.22202	0.3
287.23672	8.5
301.25256	0.5
303.23212	0.4
313.25092	0.3
314.04947	0.3
327.26932	0.3
405.35156	0.6
423.36319	1.9
441.37247	100.0
442.37561	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03931	0.9
55.05500	4.5
55.58776	0.8
57.07077	2.0
58.48013	0.8
67.05498	7.4
69.07074	7.7
69.86464	3.6
69.86871	1.5
79.05495	4.1
81.07061	17.5
83.08631	4.0
85.06546	1.0
87.17620	0.8
91.05455	4.2
91.59734	0.8
93.07041	12.7
95.08601	24.4
97.06546	1.1
97.10172	2.6
97.40417	0.9
104.35107	0.9
105.07025	9.7
107.08588	20.0
107.09266	1.1
109.06534	3.5
109.10157	17.0
111.08099	2.7
111.94105	1.0
113.09686	1.2
119.08580	17.0
121.10130	18.5
123.08084	2.1
123.11695	9.1
131.08617	2.6
133.10126	45.8
135.11685	17.3
136.11967	1.1
137.09645	2.6
137.13235	4.6
143.08612	1.1
145.10138	7.9
147.11674	11.1
149.09679	1.6
149.13263	7.5
151.11209	1.9
157.10165	1.8
159.11687	13.8
159.12849	1.1
161.13255	9.2
163.11125	1.1
163.14841	8.0
164.19633	0.9
165.12769	1.2
171.11732	3.1
173.13281	9.7
175.14830	8.9
177.12802	1.4
177.16370	5.0
185.13260	1.0
187.14780	8.4
189.16348	7.3
191.14372	3.3
191.17938	8.5
197.13252	0.9
199.14951	3.2
201.16386	8.9
203.17975	7.9
203.19449	0.8
205.16020	3.5
207.17467	2.2
213.16457	2.8
215.17912	8.3
217.19601	2.8
219.17503	3.1
221.19032	1.3
223.16801	0.9
227.17941	1.8
229.19624	1.4
231.21254	0.9
233.19008	4.7
241.19753	1.1
243.21156	1.7
267.21158	0.8
271.24411	1.0
281.22668	0.8
285.22098	1.2
397.19449	0.9
405.35406	3.2
423.36600	12.8
441.37534	100.0
442.37915	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.20901	0.8
51.57507	0.9
55.05501	1.1
67.05495	2.1
67.31832	0.9
69.07078	4.5
69.41621	0.9
71.60862	1.5
79.05486	1.7
79.34669	1.0
81.07054	6.2
83.05056	0.9
83.08618	1.6
87.04566	0.9
87.52319	0.9
91.05470	2.1
93.07030	4.6
95.08598	12.8
97.10157	1.9
105.07034	2.4
107.08577	8.2
109.10149	6.9
119.08566	6.3
121.06487	0.9
121.10126	6.5
123.08092	2.6
123.11705	3.4
129.24652	0.9
131.08546	1.6
133.10129	5.8
135.08072	2.8
135.11678	7.3
137.09612	3.7
137.13220	2.0
145.10167	2.2
147.11658	5.6
149.09618	2.8
149.13280	2.7
159.10364	0.8
159.11699	3.8
161.13252	3.9
163.11218	1.2
163.14818	1.0
173.13272	2.9
175.14893	1.3
177.16400	1.1
187.14836	1.5
189.16411	4.1
190.79347	0.9
191.17993	2.1
203.17972	1.4
205.15836	1.3
205.19510	1.0
207.17450	3.1
215.17961	3.0
217.19495	3.5
219.17383	3.2
231.17397	1.3
233.19077	1.6
257.03934	1.0
287.23761	2.0
331.26300	3.1
345.27838	7.2
357.27917	1.8
423.36108	3.4
441.37274	100.0
442.37613	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.6
57.07066	5.9
67.05502	21.2
67.97678	3.0
69.07066	22.4
69.68691	24.5
73.72929	2.9
79.05497	11.6
81.07047	46.4
83.08631	12.8
85.06570	3.2
90.00729	2.9
91.05500	12.2
92.01102	3.1
93.07026	33.9
95.04980	4.5
95.08599	73.9
96.49107	3.0
96.80459	2.9
97.06547	10.4
98.20724	3.8
99.08096	4.8
105.07015	29.9
105.17131	3.3
107.08585	56.8
109.06602	3.2
109.10149	44.7
111.08109	6.4
119.08567	41.5
121.06542	5.8
121.10127	45.3
123.08082	4.8
123.11703	39.6
125.09628	4.5
126.80203	3.4
131.08595	8.5
133.08656	5.0
133.10138	25.9
135.08095	4.9
135.11684	38.6
137.09631	5.2
137.13251	33.2
139.07553	7.9
145.10155	19.8
147.08099	3.2
147.11652	22.7
149.09666	7.6
149.13252	20.4
156.09268	3.5
157.10124	4.5
159.11656	24.3
161.13202	26.1
163.11246	13.1
163.14786	15.6
165.09149	4.3
169.10112	3.6
171.11728	7.7
173.13329	13.5
175.11206	3.5
175.14845	13.2
177.12802	12.4
177.16447	6.4
179.17946	3.2
185.13261	9.2
187.14813	24.0
189.12791	3.5
189.16411	14.6
191.14279	4.5
191.17931	33.3
197.13258	5.2
201.16454	7.0
203.14331	7.6
203.18025	5.5
205.15839	35.9
205.19533	6.1
207.17499	15.6
213.16284	3.8
215.14371	4.5
215.17879	4.5
217.15883	6.0
219.17482	5.5
221.15491	10.6
229.19649	6.5
233.15376	14.2
233.19051	7.5
235.16930	27.4
239.17964	5.2
303.19513	16.4
317.21133	7.1
395.32996	5.7
413.34067	14.6
423.31580	15.1
423.36996	6.1
441.33298	100.0
442.34265	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.87619	1.5
53.03928	2.1
53.06580	1.6
55.05495	7.1
55.53056	1.5
57.03420	1.6
58.08389	1.5
67.05511	9.9
69.07066	10.3
69.52729	10.8
69.53146	3.9
71.04986	1.8
79.05474	6.0
81.07050	18.1
83.08596	3.5
87.04448	10.4
91.05455	5.3
93.07028	19.1
95.04936	1.6
95.08602	30.6
97.06483	2.2
97.10153	2.3
98.21470	3.5
99.08081	3.1
105.07019	12.8
107.08575	25.9
109.10133	21.2
111.08062	3.4
111.11652	2.0
119.08574	21.5
121.10138	28.5
123.08051	4.1
123.11687	12.3
125.06000	9.2
131.08507	5.2
133.10123	20.4
135.07950	2.1
135.11674	13.7
137.13232	3.1
139.07574	8.6
139.80637	1.8
143.08516	5.5
144.09311	1.9
145.10153	8.5
147.07976	1.9
147.11690	18.2
149.09631	2.1
149.13248	15.3
150.98102	1.7
151.07515	2.3
157.10072	6.0
159.08018	2.4
159.11627	6.6
161.09569	3.0
161.13245	7.3
163.11198	3.1
163.14795	4.9
165.09006	2.3
167.14314	2.0
171.11687	6.8
173.09604	2.6
173.13240	7.2
175.11229	15.0
175.14743	3.5
177.12694	1.9
177.16374	4.1
183.11714	3.0
185.13242	2.6
187.14760	7.7
189.12711	3.7
189.16365	16.9
191.10646	2.7
191.17996	8.5
197.13197	3.1
199.14830	11.8
201.16386	4.0
203.14233	2.8
203.17940	5.3
205.15872	6.0
207.17459	3.9
211.14856	2.6
213.16347	2.2
215.14355	11.3
217.15865	47.5
218.16203	2.2
219.17351	4.9
221.15358	2.4
227.17976	3.0
231.13756	2.1
231.17433	4.5
233.15363	49.0
235.16890	2.6
241.19469	2.4
251.19989	3.1
287.19946	2.0
327.94690	2.0
387.30188	2.2
405.31378	7.8
423.32156	25.0
423.37042	3.7
441.33466	100.0
442.33624	4.7
468.33813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	23.0
55.01857	10.5
55.05504	10.9
56.57700	1.8
56.96558	4.9
57.03430	18.8
58.49732	1.8
58.62415	1.9
58.71956	1.7
61.02924	3.9
65.03933	4.8
67.05499	58.6
69.03424	40.4
69.07058	14.6
69.81448	12.0
70.06556	1.7
71.01339	2.2
71.04987	13.5
73.02903	7.6
79.05048	3.5
79.05488	41.7
81.03413	100.0
81.07052	80.5
82.07397	2.2
83.04982	12.9
83.08599	6.7
85.02901	48.0
85.06545	5.1
87.00838	3.2
87.04423	2.1
91.05472	37.0
93.07036	61.2
95.01340	16.3
95.04955	28.0
95.08601	51.8
97.02882	24.3
97.06510	9.0
98.21581	2.1
99.04460	10.6
99.08095	4.6
100.24895	1.9
103.03939	8.5
103.05425	3.7
105.07030	30.0
107.04950	48.4
107.08576	28.1
109.02867	29.4
109.06493	9.0
109.10118	11.1
111.04437	3.7
111.08063	7.4
113.05984	2.2
115.03920	6.1
115.05449	2.6
117.05465	1.8
117.07011	25.9
119.04955	4.3
119.08574	14.5
121.06495	15.9
121.10127	20.1
123.04423	8.0
123.08065	24.7
123.11694	4.7
125.05950	2.2
127.03915	42.7
129.07021	5.3
131.04913	4.4
131.08569	26.6
133.06430	3.8
133.10127	17.7
135.08055	5.4
135.11697	27.8
137.05920	3.3
137.09586	7.7
139.03885	12.6
141.06960	9.9
143.08548	6.1
145.04935	11.5
145.06456	21.9
145.10094	13.5
147.08022	3.0
147.11684	4.9
149.09625	4.1
149.13264	19.6
151.07529	3.9
154.07770	3.8
155.03377	2.9
155.06946	1.7
157.10106	3.2
158.99623	2.0
159.08051	5.8
159.11684	35.4
161.09666	4.7
163.11176	2.8
165.09137	5.8
165.12782	14.1
169.10092	12.6
171.11757	2.2
173.09555	2.1
173.13237	4.2
175.07539	3.1
175.11145	3.7
175.14763	3.6
177.12752	24.1
181.04993	2.1
183.06573	14.9
183.08006	3.1
187.11160	27.3
187.14714	2.2
189.09026	2.0
189.12804	2.0
193.15817	11.9
195.13818	11.6
201.07579	4.0
205.08588	2.1
205.12242	12.3
215.14276	3.7
223.13229	13.3
229.08549	2.6
231.04982	3.1
237.02905	2.4
241.14331	57.7
243.13873	2.4
253.11230	3.9
261.14819	15.1
263.16348	2.5
271.12177	2.1
279.15903	63.9
279.20609	2.6
297.10098	5.4
297.16949	27.0
307.15436	4.0
315.11078	5.2
321.16861	10.5
325.16425	22.8
334.03146	2.5
349.16431	3.4
367.17590	1.9
405.18927	7.7
423.10901	3.9
423.20175	14.3
426.05365	2.0
441.07608	4.0
441.20724	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01847	0.8
69.03423	1.7
69.07060	1.9
69.84260	3.5
73.02912	1.0
78.80833	0.6
79.05466	0.8
81.03411	5.6
81.07045	1.3
83.28423	0.7
85.02898	1.7
86.09689	1.4
91.05482	0.8
93.07021	2.6
95.04944	1.0
95.08578	1.2
97.02873	1.0
97.06541	0.8
102.44034	0.7
105.07001	1.5
107.04942	1.0
107.08589	1.8
109.02853	0.7
109.06544	0.7
111.11675	0.6
116.07057	0.7
119.01881	0.8
119.08564	0.9
121.10141	0.8
123.04373	0.8
129.06941	0.7
129.12753	0.9
133.06438	0.7
135.08052	0.8
137.05980	4.1
163.07526	0.9
163.81866	0.7
167.07040	1.7
193.12024	1.8
199.02827	0.7
199.07576	0.7
217.08540	2.7
219.10202	0.9
227.05127	0.7
243.04695	0.7
245.06189	1.2
268.00433	0.7
279.12326	0.7
280.76099	0.6
287.03751	1.8
289.05228	3.2
337.16367	1.0
355.17297	3.1
379.17087	1.9
397.18289	24.9
423.16046	6.4
441.17261	100.0
442.17606	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	23.0
55.01857	10.5
55.05504	10.9
56.57700	1.8
56.96558	4.9
57.03430	18.8
58.49732	1.8
58.62415	1.9
58.71956	1.7
61.02924	3.9
65.03933	4.8
67.05499	58.6
69.03424	40.4
69.07058	14.6
69.81448	12.0
70.06556	1.7
71.01339	2.2
71.04987	13.5
73.02903	7.6
79.05048	3.5
79.05488	41.7
81.03413	100.0
81.07052	80.5
82.07397	2.2
83.04982	12.9
83.08599	6.7
85.02901	48.0
85.06545	5.1
87.00838	3.2
87.04423	2.1
91.05472	37.0
93.07036	61.2
95.01340	16.3
95.04955	28.0
95.08601	51.8
97.02882	24.3
97.06510	9.0
98.21581	2.1
99.04460	10.6
99.08095	4.6
100.24895	1.9
103.03939	8.5
103.05425	3.7
105.07030	30.0
107.04950	48.4
107.08576	28.1
109.02867	29.4
109.06493	9.0
109.10118	11.1
111.04437	3.7
111.08063	7.4
113.05984	2.2
115.03920	6.1
115.05449	2.6
117.05465	1.8
117.07011	25.9
119.04955	4.3
119.08574	14.5
121.06495	15.9
121.10127	20.1
123.04423	8.0
123.08065	24.7
123.11694	4.7
125.05950	2.2
127.03915	42.7
129.07021	5.3
131.04913	4.4
131.08569	26.6
133.06430	3.8
133.10127	17.7
135.08055	5.4
135.11697	27.8
137.05920	3.3
137.09586	7.7
139.03885	12.6
141.06960	9.9
143.08548	6.1
145.04935	11.5
145.06456	21.9
145.10094	13.5
147.08022	3.0
147.11684	4.9
149.09625	4.1
149.13264	19.6
151.07529	3.9
154.07770	3.8
155.03377	2.9
155.06946	1.7
157.10106	3.2
158.99623	2.0
159.08051	5.8
159.11684	35.4
161.09666	4.7
163.11176	2.8
165.09137	5.8
165.12782	14.1
169.10092	12.6
171.11757	2.2
173.09555	2.1
173.13237	4.2
175.07539	3.1
175.11145	3.7
175.14763	3.6
177.12752	24.1
181.04993	2.1
183.06573	14.9
183.08006	3.1
187.11160	27.3
187.14714	2.2
189.09026	2.0
189.12804	2.0
193.15817	11.9
195.13818	11.6
201.07579	4.0
205.08588	2.1
205.12242	12.3
215.14276	3.7
223.13229	13.3
229.08549	2.6
231.04982	3.1
237.02905	2.4
241.14331	57.7
243.13873	2.4
253.11230	3.9
261.14819	15.1
263.16348	2.5
271.12177	2.1
279.15903	63.9
279.20609	2.6
297.10098	5.4
297.16949	27.0
307.15436	4.0
315.11078	5.2
321.16861	10.5
325.16425	22.8
334.03146	2.5
349.16431	3.4
367.17590	1.9
405.18927	7.7
423.10901	3.9
423.20175	14.3
426.05365	2.0
441.07608	4.0
441.20724	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
55.01865	0.5
55.05505	0.5
57.03425	0.9
60.04522	1.6
61.02933	0.6
67.05483	0.7
69.03418	1.2
69.07063	0.6
70.06588	0.9
71.04985	0.9
71.14896	0.4
71.15230	0.7
72.70213	0.3
73.02905	1.8
79.05482	0.7
81.03403	1.0
81.07047	0.7
83.01089	0.7
83.04990	0.5
85.02902	2.6
85.06528	0.8
85.07672	0.5
91.05460	1.1
93.03385	1.0
93.07041	0.8
95.01086	1.2
95.04935	0.7
95.08588	0.7
96.01859	0.5
97.02888	1.4
98.97590	0.9
99.10048	0.4
105.07018	1.0
105.40045	0.3
107.04935	0.9
107.08558	0.7
109.02875	0.9
109.06485	0.5
109.10151	0.4
110.06058	0.8
111.04408	0.5
111.08090	0.4
112.01337	0.7
113.02134	2.3
115.03913	0.6
116.98663	0.6
117.06985	0.4
119.04926	0.4
119.08590	0.4
120.08091	0.4
121.02864	1.1
121.06477	0.5
121.10131	0.3
124.07560	0.9
125.08376	0.8
127.03894	1.1
128.10782	0.4
130.06570	0.5
130.45871	0.3
131.04926	0.9
133.02783	0.3
133.06502	0.7
135.04414	0.5
135.11702	0.4
137.05919	0.4
139.03871	0.3
145.04953	0.5
146.11765	1.3
147.04379	1.1
147.12059	0.6
148.09608	0.3
157.04768	0.7
159.04346	0.8
159.33792	0.3
161.05992	1.0
163.03941	0.4
167.03209	0.5
170.99663	0.4
173.06064	0.3
175.07487	0.4
177.01849	0.8
177.05545	0.6
179.03391	0.4
185.04216	2.8
187.03841	0.3
189.01857	0.6
193.04942	1.4
195.02914	1.0
201.03722	1.1
201.05493	1.0
203.05295	0.7
204.07574	2.2
207.02954	1.4
215.03410	0.8
219.02921	0.7
223.02483	1.1
225.03876	0.8
229.04964	1.0
231.02943	0.9
231.11301	0.4
233.04482	0.6
236.11020	0.3
237.02727	0.6
243.19748	0.8
247.13306	0.6
249.03969	0.8
257.04501	1.0
259.07858	0.8
261.04022	1.7
261.12393	0.9
261.20810	0.5
273.03955	1.7
275.05582	0.4
279.08807	0.6
279.13528	4.1
279.16357	0.6
279.21631	0.4
283.53928	0.4
285.03937	2.3
291.05066	1.3
297.11853	0.4
303.04617	0.6
321.05936	1.9
327.04736	0.5
327.08347	1.0
345.06079	0.5
363.07016	3.4
393.09253	1.7
419.53177	0.3
423.08978	0.6
426.15909	0.4
441.17371	100.0
442.17682	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12507	1.2
50.95261	1.2
53.45066	1.2
55.01862	2.1
56.96555	25.3
57.03431	7.9
61.02935	3.0
64.06465	1.2
67.35149	1.2
69.03420	8.5
71.04990	1.4
71.60455	2.2
73.02917	13.1
81.03413	4.2
82.06544	1.4
84.96013	9.8
85.02898	19.4
87.04452	2.6
93.20683	1.2
97.02893	10.5
98.97573	87.5
100.99153	1.7
102.97099	2.4
104.10699	2.0
109.02865	1.7
110.97551	18.6
112.99128	3.9
113.00867	1.2
115.03911	1.8
116.98605	56.1
119.01900	7.2
121.01666	1.7
124.99110	2.0
127.03915	6.2
128.07127	3.3
128.98584	36.3
131.00195	9.5
131.01897	1.9
133.01659	2.4
133.03406	2.3
134.99640	25.1
137.02893	1.9
137.05977	2.1
140.00165	2.5
140.98590	6.0
143.00157	14.3
143.01949	1.4
144.98135	1.7
145.01735	2.0
145.03549	2.8
145.04984	4.0
146.99640	28.5
147.03185	1.6
149.01210	12.0
152.98572	2.8
153.00691	2.2
157.03505	1.6
158.99649	39.6
159.03171	1.4
161.01222	19.5
161.02890	5.0
162.99159	4.6
163.02716	3.0
163.04628	1.6
165.00682	4.0
167.02299	2.9
170.01286	2.2
170.99622	24.9
173.01250	9.2
173.02846	3.0
175.02747	1.9
175.04459	1.7
177.00696	48.7
178.04926	2.7
179.02258	5.4
181.00146	1.8
181.05476	1.8
182.99602	12.8
185.01198	1.5
185.02834	1.7
189.00693	45.5
189.04317	2.4
189.06032	2.1
191.02260	5.7
193.03799	2.3
195.01730	3.7
197.03050	3.1
200.02286	2.4
201.00694	59.4
201.06032	1.8
202.01118	2.5
203.02271	3.8
205.00197	2.9
205.05615	3.2
207.01762	9.8
210.01395	1.5
213.00681	4.4
214.03276	1.8
217.05534	4.4
219.01747	68.9
221.05092	1.8
223.01231	4.0
224.02242	1.8
231.01730	8.0
233.03168	1.9
237.02815	36.3
237.06390	2.0
242.03375	3.5
243.01729	19.0
245.05093	4.6
249.02835	3.3
251.04459	2.1
261.02802	100.0
262.03223	1.9
266.06522	3.3
269.05420	7.8
269.59686	1.5
270.03561	1.9
271.06400	1.8
273.02802	7.0
275.06454	1.9
279.03867	66.3
280.04129	2.2
284.59024	1.8
287.06326	1.6
291.03854	24.3
291.09204	2.1
293.05389	4.0
297.04962	5.2
297.08264	2.8
302.05475	5.9
303.03946	1.9
307.09009	10.8
309.04904	3.9
309.08575	4.8
311.06482	6.5
311.09653	1.5
321.04883	46.1
321.10410	2.9
323.06738	2.4
323.10223	5.8
325.07953	2.3
333.04974	7.0
337.08005	2.0
341.07440	1.7
345.07935	1.7
347.09091	1.9
351.05844	11.6
355.08939	2.4
369.86441	1.6
381.06949	12.6
381.11014	4.2
399.07990	10.5
403.66837	1.3
441.09006	44.1
441.18433	1.9
442.09729	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	13.0
57.03431	2.5
69.03418	2.7
69.92181	8.4
69.92504	1.1
73.02916	4.0
84.96016	6.7
85.02908	4.5
98.97575	72.9
101.00877	3.9
110.97552	19.5
112.99103	2.3
116.98621	45.2
119.01929	8.6
127.03910	1.7
128.98599	30.5
131.00153	3.1
131.01878	3.9
132.02011	2.1
132.81256	1.4
133.01639	1.7
133.03482	3.2
134.99640	17.3
135.03185	3.2
137.51962	1.3
140.98592	4.9
143.00177	11.4
143.01901	3.6
145.01643	1.9
145.03482	5.2
146.99640	24.4
149.01129	2.3
150.58057	1.5
152.98567	3.2
155.01863	4.2
157.01608	1.9
157.03476	2.4
158.99644	31.1
159.03259	2.8
161.01227	15.4
161.02907	3.6
162.99178	2.8
163.02911	2.0
163.04530	8.9
164.94299	1.4
165.00682	3.0
169.03453	2.1
170.99649	25.3
173.01436	2.4
173.02950	7.7
173.04373	1.7
174.03015	2.4
175.04544	2.8
177.00714	41.5
177.04057	2.8
179.02284	3.0
181.05554	6.1
182.02588	1.4
182.99590	10.6
183.04997	1.4
185.02933	2.3
189.00719	40.9
189.04329	1.5
189.06021	1.9
195.01746	5.7
197.02888	2.5
201.00711	56.4
203.03952	2.2
205.05513	15.6
207.01770	8.9
211.04462	1.7
213.00664	3.3
213.04413	3.4
217.03870	1.4
217.05617	13.7
219.01764	58.0
219.05127	2.2
219.07202	3.4
221.05067	2.7
223.04654	1.6
224.02261	2.0
224.04442	1.5
225.04456	2.2
231.01791	7.4
232.53619	1.5
234.04851	1.4
237.02800	25.9
241.05539	4.8
243.01741	19.0
245.05070	5.1
246.02306	1.6
247.06607	4.5
249.02776	3.8
255.07452	1.5
259.06525	1.7
261.02789	100.0
268.57428	1.6
273.02792	7.7
275.06055	2.1
276.06012	1.9
279.03867	62.4
284.56354	1.9
285.06689	1.8
291.03888	18.7
291.06943	3.0
297.05014	2.6
297.08594	4.4
302.05435	3.8
303.03821	1.5
306.06345	1.7
307.08749	45.7
308.08868	2.2
309.05142	3.2
309.08646	5.3
321.04880	46.7
321.10526	2.3
325.09866	5.2
333.04980	6.6
337.09525	4.3
339.05954	2.5
351.05984	10.0
363.06107	2.5
381.06238	6.4
381.11057	9.6
399.07825	3.5
399.12057	6.0
441.09647	42.6
441.20908	3.1
442.10181	2.3
454.04391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48890	1.7
55.01847	3.1
55.05508	13.9
57.03186	3.0
57.03436	36.9
59.40040	1.5
61.02933	14.6
63.50484	1.8
67.05505	4.6
69.03072	2.8
69.03426	40.7
69.07066	100.0
69.65085	14.8
71.01337	6.7
71.04970	2.3
73.02917	73.5
79.05482	2.3
81.03413	9.8
81.07042	2.9
83.04971	2.0
85.02904	94.2
86.03288	1.6
87.04479	2.0
97.02889	60.1
99.04430	3.0
99.07368	1.7
105.06996	2.0
109.02850	7.2
111.11720	43.6
115.03165	2.7
115.03932	48.7
119.00531	1.9
127.03915	24.3
132.06546	2.8
133.04964	14.2
133.10190	2.3
137.06152	1.8
145.04962	32.4
150.07607	5.5
157.92336	1.9
163.06027	24.9
168.06567	1.7
217.31956	2.0
222.63713	2.0
223.06000	7.1
241.07056	9.4
255.15643	2.1
259.08093	7.0
273.16864	2.9
295.10263	4.1
315.13159	8.4
440.23245	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	440.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37143	0.8
55.05493	3.3
57.07074	26.4
60.30003	0.7
62.98586	0.8
63.58302	0.7
66.22201	0.9
67.05488	0.9
69.07052	3.2
69.71312	6.5
71.08630	26.6
73.02887	0.8
73.06548	6.1
79.05476	1.6
81.07049	4.3
83.08597	3.8
85.10177	27.4
87.04457	1.7
89.06027	100.0
91.05470	1.3
91.07668	0.9
93.07030	2.9
95.08621	4.8
96.08936	1.5
97.10151	1.0
99.11718	2.5
105.07011	2.4
107.07064	5.3
107.08586	3.8
109.10154	3.5
110.10388	0.8
117.09123	3.1
119.08552	2.5
120.38725	0.8
121.10129	3.4
123.11731	1.3
128.04930	0.8
130.08618	5.2
133.08594	43.8
133.10167	2.6
134.08806	0.9
135.11681	2.3
137.13165	1.2
141.16357	3.1
145.10052	2.0
147.11711	2.0
157.10129	2.1
159.11581	1.1
161.13187	1.2
163.14769	1.1
173.13179	1.3
177.11208	18.2
185.19054	4.0
189.16431	1.0
195.12280	2.9
207.17442	1.2
219.17413	1.0
221.13905	1.5
226.21458	1.1
229.21602	13.1
233.15407	1.2
239.14833	2.4
273.24286	6.4
283.17490	15.3
335.28040	1.5
365.16171	0.8
379.30374	1.7
423.27487	1.8
423.33154	35.6
424.33591	1.2
440.31769	3.4
440.36179	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01867	6.5
55.05498	7.3
57.03435	14.3
59.05003	2.5
61.02922	16.5
63.55945	2.3
69.03424	33.0
69.07065	59.5
71.01279	6.7
71.24330	2.5
73.02497	3.7
73.02912	87.3
81.03404	7.5
85.02899	100.0
86.03192	2.0
87.04453	2.7
91.03946	3.7
93.07039	3.1
95.08578	2.8
97.02888	53.4
99.04476	3.5
103.03963	4.3
109.02886	9.5
111.11728	26.3
115.03929	31.1
123.11662	3.3
127.03896	29.9
133.04961	37.2
145.04942	43.3
148.92802	2.1
150.07599	3.3
157.04849	2.6
163.06038	21.7
207.13857	3.2
223.06024	10.1
225.14743	4.2
241.07130	11.2
243.15918	2.3
259.08206	15.0
274.30420	2.5
277.09192	5.5
295.10138	6.1
370.19257	3.2
374.27521	2.2
440.23355	36.1
441.17688	2.5
441.23810	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	440.218
Annotation	Gymnastatin E
Peak:m/z	Relative Intensity
54.67371	0.2
55.01872	2.1
67.05500	0.3
69.03400	0.2
69.07071	1.3
70.93716	0.7
73.02905	0.5
81.07048	0.3
81.15127	0.2
85.02898	0.4
91.05460	0.2
93.07014	0.4
94.06560	0.3
95.04931	0.2
95.08631	0.2
97.06523	0.3
105.07064	0.2
106.07336	0.2
108.04472	0.4
109.10170	0.3
112.07582	0.5
122.06022	0.6
123.04402	0.3
140.07074	2.2
146.06039	0.3
147.06813	0.2
148.07555	2.6
168.06528	2.7
174.05522	0.4
174.09233	0.4
188.07011	0.3
198.09183	0.8
199.08652	2.7
199.12306	0.4
200.67352	0.2
203.09355	0.4
210.09108	0.5
212.09323	0.3
213.10263	1.3
214.11005	0.6
215.11768	1.0
223.12305	0.2
224.10686	0.4
225.10188	2.8
226.08611	0.8
226.10690	0.3
227.08235	1.3
227.11746	1.5
241.09779	0.4
241.13300	0.5
242.10449	0.6
243.11243	1.1
252.10135	0.6
253.09702	0.3
254.11237	0.3
255.11279	13.0
256.11505	0.4
269.12839	3.9
287.13855	0.5
297.12305	4.3
315.13367	100.0
316.13748	3.0
433.15460	0.2
440.22662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88433	0.2
55.01871	2.2
58.97334	0.2
64.53901	0.2
66.17040	0.2
69.07070	1.5
69.89731	1.0
73.02908	0.5
77.78695	0.2
81.07044	0.4
85.02900	0.4
93.07037	0.2
94.06551	0.3
95.04942	0.2
95.08582	0.3
96.04507	0.3
97.02903	0.3
97.06522	0.3
105.07005	0.3
107.08598	0.2
108.04469	0.3
112.07607	0.3
121.10193	0.2
122.06039	0.2
133.29634	0.2
140.07065	2.5
145.10133	0.2
145.82722	0.2
146.06064	0.2
147.06825	0.2
148.07578	2.4
157.39555	0.2
167.07016	0.3
168.06564	2.5
170.09676	0.3
174.05478	0.5
198.09126	0.7
199.08650	2.4
199.12393	0.3
203.09395	0.4
210.09195	0.2
212.09279	0.3
212.53741	0.2
213.10204	0.8
214.10974	0.5
215.11879	1.1
224.10867	0.4
225.10187	3.1
226.08690	1.1
226.12411	0.3
227.08180	1.2
227.11739	1.4
241.09727	0.6
241.13335	0.6
242.10495	0.9
243.11226	1.2
251.11641	0.3
252.10210	0.6
254.11638	0.3
255.11275	13.9
256.11618	0.3
269.12827	3.1
271.14423	0.3
287.13861	0.6
297.12335	4.7
303.13211	0.2
315.13364	100.0
316.13705	2.3
440.22775	1.5
441.24533	0.3
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	Calocedimer A
Peak:m/z	Relative Intensity
55.05495	11.7
57.07069	7.1
60.44244	3.3
67.05496	18.2
69.07058	30.0
71.02898	7.6
79.05490	13.7
79.72276	2.9
81.07055	55.6
83.08608	12.7
88.58451	2.7
91.05465	5.9
93.07044	17.2
95.08601	100.0
95.50771	3.2
97.06486	3.1
97.10158	7.6
99.34750	2.9
104.76916	2.5
105.07019	32.2
107.08581	28.1
109.06476	5.2
109.09459	4.5
109.10152	44.6
111.11736	6.4
117.07007	4.9
119.08582	31.1
121.10130	37.0
123.11698	49.3
125.05982	10.2
131.08568	18.1
133.06470	2.7
133.10123	24.6
135.11690	21.8
137.09595	3.5
137.13264	34.4
139.07567	4.5
143.08565	3.5
145.10107	33.7
147.11678	24.6
149.05959	4.1
149.13226	9.4
151.07524	4.5
151.14845	2.6
156.95717	3.1
157.10124	7.8
159.11681	24.0
161.13239	12.7
163.07573	3.1
163.11208	3.8
163.14836	9.2
171.11627	6.0
173.09584	4.1
173.13295	13.4
175.11264	2.8
175.14873	9.9
177.09099	15.1
177.12718	6.9
177.16417	9.4
179.10638	3.6
185.13257	6.8
187.14735	7.6
189.16490	6.5
191.10660	32.7
191.17934	17.9
193.12173	3.7
199.14894	4.1
201.16394	11.8
201.33282	3.4
203.18025	7.8
205.12196	8.2
207.33849	2.8
213.16344	5.3
215.17963	8.9
217.19603	3.8
221.46689	2.8
239.18068	3.1
247.16904	33.3
255.21178	5.2
261.18372	5.6
269.22601	3.7
271.24072	3.2
275.20068	3.7
301.21625	5.3
329.24487	5.2
343.26178	5.5
355.25986	4.2
369.27649	4.2
383.29327	6.7
393.35043	13.8
403.33655	3.7
421.34756	26.1
439.35730	93.6
440.35779	6.5
446.74832	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	440.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28816	0.8
53.57121	0.8
55.05528	1.9
56.05017	2.5
57.03434	21.5
57.07043	1.2
58.06587	6.5
60.04522	16.8
61.02926	5.2
67.05504	2.3
69.03429	12.4
69.07063	4.6
69.59693	7.4
70.06588	61.3
71.01355	1.7
71.04983	2.2
72.08140	3.6
73.02914	47.4
81.03413	1.8
81.07047	3.1
82.06590	0.8
83.04982	2.1
83.08628	1.6
84.08147	3.5
85.02903	20.0
85.06542	3.1
86.06059	1.3
86.09702	9.4
87.04482	2.2
88.07622	3.0
91.05464	1.6
93.07061	1.8
95.04964	1.2
95.08613	1.3
97.02900	12.1
98.05994	1.0
98.09685	19.8
99.04445	1.3
100.11234	9.7
100.40934	1.1
102.09182	12.1
103.19054	0.9
104.40783	1.0
109.02889	2.2
110.09676	1.8
111.08059	1.4
112.11259	1.9
115.03926	10.9
124.07618	1.3
127.03899	3.9
128.07069	1.5
128.10698	16.9
129.09106	6.0
130.12308	3.6
133.04958	2.4
144.10197	3.1
145.04987	3.4
146.06044	5.5
146.11751	100.0
163.06059	1.2
167.54622	0.9
174.05478	6.6
192.06546	1.2
193.05017	2.7
206.10249	1.3
278.13684	2.1
279.13486	2.5
308.16995	15.4
382.17056	1.0
396.18671	1.1
440.21277	66.6
441.13577	5.1
441.21793	1.9
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
53.03930	2.6
54.34104	2.4
55.05520	11.6
57.03425	4.4
57.07051	7.4
66.40897	2.3
67.05505	13.8
69.07063	31.9
70.86063	5.8
70.86395	2.7
79.05485	14.4
81.07056	45.6
83.08614	9.2
86.16478	2.3
86.89419	2.3
87.04447	10.3
87.07665	2.2
91.05466	11.2
93.07049	35.6
94.44329	2.3
95.04967	5.2
95.08606	83.4
97.06538	5.1
97.10154	5.1
105.07035	32.8
107.08597	57.3
109.06506	3.2
109.10152	61.0
111.08043	6.3
111.11729	6.2
115.07547	2.4
117.06999	6.6
119.08579	96.6
121.06490	4.8
121.10144	88.9
123.08018	5.9
123.11710	32.0
129.06969	5.3
131.08553	20.8
133.10130	51.7
135.08044	3.5
135.11696	23.8
137.09616	4.6
137.13263	13.5
142.07716	4.5
143.08522	16.4
144.09299	5.3
145.10100	24.7
147.07968	3.4
147.11682	30.1
149.09616	5.9
149.13231	20.5
152.76053	2.6
155.08585	5.6
156.09283	5.9
157.10136	17.0
158.10982	4.7
159.11674	44.8
161.09581	7.9
161.13232	20.0
163.11195	3.3
163.14787	13.7
165.12720	15.5
169.10143	6.3
170.10936	6.7
171.11671	19.8
173.13266	34.0
174.14056	4.3
175.11195	5.2
175.14821	33.8
177.12740	5.6
177.16362	10.1
181.10191	2.8
183.11641	6.5
184.12440	3.9
185.13179	14.4
187.14767	12.2
189.16399	16.2
191.14308	3.4
191.17938	30.2
193.15886	4.7
195.11746	3.1
197.13300	6.5
199.14796	25.7
201.16396	9.7
203.14290	7.6
203.17975	10.2
205.19507	3.4
209.15201	2.7
211.14766	5.7
213.16393	6.7
215.17917	7.1
217.15952	20.0
217.19478	34.2
219.17467	7.3
225.16316	7.0
227.17973	3.2
229.19536	5.4
231.17413	5.8
231.21104	3.6
233.15346	3.7
235.16913	98.9
239.17978	4.5
241.19714	3.0
243.17494	5.3
249.18445	4.1
255.21176	7.6
257.18893	3.7
257.22641	3.2
261.18497	5.6
267.21277	3.3
269.22623	5.8
275.19989	4.5
293.22665	4.2
307.24130	3.0
311.23926	3.3
311.27380	7.6
329.24594	2.8
343.26245	6.1
353.31900	5.2
355.26108	3.6
363.30478	5.3
381.31387	2.7
403.33417	16.9
421.34686	43.4
432.47162	2.6
439.35690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03940	1.3
54.55630	1.1
55.05511	6.3
57.03418	1.2
57.07077	5.5
63.95919	1.0
67.05500	15.8
69.03410	1.4
69.07061	24.3
70.68532	3.6
71.05000	1.6
71.08598	1.8
72.04492	1.3
73.18894	0.9
79.05495	9.8
81.07050	34.7
83.04966	1.2
83.08616	7.3
87.04460	4.2
91.05469	8.1
93.07041	20.0
95.04966	1.5
95.08598	56.0
97.06508	2.3
97.10160	4.4
98.21447	1.1
99.08101	1.1
99.36146	1.0
105.07023	19.9
107.07857	2.1
107.08582	39.1
109.06524	3.1
109.10149	33.4
111.08089	2.2
111.11719	6.4
113.09635	1.1
115.07583	0.9
117.06992	2.7
119.08572	35.8
121.06569	1.2
121.10136	37.5
123.08076	3.9
123.11703	17.3
125.09623	1.1
129.06993	2.8
130.07803	1.0
130.98595	0.9
131.08568	10.6
133.10127	27.1
135.08034	2.9
135.11670	21.0
137.09605	3.1
137.13255	11.2
142.07782	3.0
143.08559	8.0
144.09290	1.6
145.10104	18.6
147.11661	18.7
149.09602	3.1
149.13258	10.7
151.11195	1.5
151.14775	1.8
155.08583	2.5
156.09334	2.2
157.10130	11.8
158.10924	1.0
159.11697	19.8
160.12245	1.1
161.09624	3.7
161.13263	14.4
163.11189	3.3
163.14790	7.4
165.12750	4.8
167.10651	1.3
169.10172	3.2
170.10899	3.2
171.11678	8.8
173.13255	16.4
175.11218	3.2
175.14859	12.7
177.12749	3.4
177.16356	8.2
182.10794	1.5
183.11722	4.1
184.12369	2.6
185.13210	7.6
187.14828	9.4
189.12700	2.4
189.16362	9.9
191.14346	1.9
191.17946	27.7
191.19576	2.0
193.15782	2.5
196.12405	1.5
197.13199	3.9
199.14769	10.5
201.12877	1.0
201.16455	5.7
203.14296	10.1
203.17979	8.7
205.15991	1.9
205.19499	4.0
207.17471	2.6
209.13203	2.4
211.14850	4.1
213.16338	5.4
215.14381	1.2
215.17909	6.3
217.15968	6.4
217.19492	14.0
219.17450	8.8
221.13438	1.3
221.15297	6.0
225.16411	4.4
227.18008	4.0
229.15903	3.0
229.19511	4.5
231.17404	3.0
231.21130	3.8
233.15370	2.2
233.18947	1.6
235.16905	45.1
237.16312	1.1
239.17886	1.5
243.17444	3.3
243.21126	1.7
245.19038	2.2
245.22618	2.0
247.16754	1.4
249.18539	2.5
253.19525	1.4
255.21123	2.1
257.18884	2.9
261.18457	6.5
265.19565	3.0
267.21014	1.2
269.22589	2.3
275.20111	4.1
276.14426	1.0
279.21060	1.7
281.22507	1.1
283.20599	1.3
283.24109	1.8
285.22009	2.5
293.22583	1.9
309.25870	1.8
311.23965	1.7
311.27353	7.4
325.25211	1.5
325.28790	3.1
326.29495	1.4
329.24792	2.0
333.25845	1.4
347.27258	1.2
353.32162	5.9
363.30338	5.4
377.31876	1.4
378.32794	1.5
379.33627	1.5
381.31079	1.7
393.35400	1.7
403.33636	15.2
421.34610	40.0
439.35693	100.0
440.35968	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05512	4.4
57.07064	1.2
59.04978	1.2
67.05501	7.8
69.03405	1.0
69.07063	6.3
69.76453	0.4
70.43945	1.4
71.04993	0.5
71.08640	0.7
79.05484	2.1
81.07050	10.5
83.04972	0.9
83.08610	2.6
85.06579	0.5
91.05473	2.1
93.07038	5.7
95.04972	1.4
95.08600	53.6
96.08939	0.5
97.06542	0.9
97.10167	1.3
99.08102	0.9
105.07011	4.3
107.08580	8.8
109.06511	1.6
109.09441	0.9
109.10151	10.2
111.08063	1.1
111.11727	1.4
117.07021	0.7
119.08572	6.7
121.06477	1.1
121.10128	9.5
123.08074	3.5
123.11708	5.6
125.09656	0.7
125.13246	0.5
129.06944	0.6
131.08566	2.3
133.10120	8.0
135.08060	3.8
135.11681	5.5
137.09619	1.9
137.13251	4.4
143.08577	1.4
145.10106	4.7
147.08032	0.7
147.11679	4.3
149.09618	7.9
149.13264	3.6
151.11159	1.4
151.14781	0.6
157.10165	1.5
158.10979	0.4
159.08044	0.8
159.11696	3.5
161.09579	1.6
161.13237	2.2
163.11221	2.3
163.14821	1.5
165.12799	0.7
169.10158	0.9
171.11699	2.3
173.09628	1.5
173.13240	3.5
175.11205	2.1
175.14845	3.6
177.12730	1.5
177.16394	1.5
179.17879	0.4
181.10123	0.6
183.11737	1.1
185.13290	1.5
187.11147	0.7
187.14841	1.9
189.12749	1.6
189.16345	4.8
191.14340	0.9
191.17979	1.7
195.11719	0.6
197.13231	1.1
199.11191	0.9
199.14819	1.4
201.12744	1.2
201.16362	1.1
203.14418	0.9
203.17934	0.9
205.15858	0.9
205.19595	0.7
207.17418	1.1
211.14793	1.3
213.12891	0.6
213.16397	1.8
215.14328	1.7
215.17978	2.0
217.15855	2.2
217.19395	0.6
219.17381	1.1
223.14792	0.7
225.16449	1.2
227.14273	0.5
227.17889	1.1
229.15883	0.9
229.19260	0.5
231.17484	1.3
233.15402	1.2
233.19000	1.8
239.17947	0.7
241.19582	0.5
243.17416	0.7
243.21086	1.0
255.17331	0.5
255.21025	0.7
257.19040	0.9
257.22672	0.5
259.20654	1.1
261.22070	0.5
265.19485	0.6
269.22784	0.5
273.22147	0.6
283.20569	2.6
285.21979	0.5
287.23700	1.0
301.21561	2.2
309.25598	0.5
313.25330	1.6
325.25201	0.8
327.23328	0.8
327.26834	6.1
339.26752	0.9
345.27844	0.7
357.27866	1.0
365.28369	0.5
367.30115	0.6
379.33670	0.5
381.31360	2.2
393.31223	2.1
403.33609	1.8
411.35995	0.6
421.34610	34.0
422.34811	1.1
439.35690	100.0
440.36072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
50.18271	0.4
55.01861	0.6
55.05500	0.6
57.03418	0.7
65.52714	0.4
67.05488	0.8
69.03407	1.2
69.07067	2.0
71.58205	0.4
71.58619	0.8
73.02892	1.3
79.05486	1.0
81.07057	1.9
85.02902	2.5
88.63592	0.3
91.05470	1.4
91.71320	0.4
93.07018	1.5
95.04904	0.7
95.08598	1.6
96.01859	0.6
97.02856	1.2
97.10163	0.4
98.98475	0.4
103.05399	0.5
104.21516	0.4
105.07004	1.2
107.08579	1.4
109.02871	0.8
109.06489	0.9
109.10162	0.7
111.11703	0.7
113.02130	0.8
119.08541	1.2
120.08107	0.6
121.06537	0.4
121.10117	0.9
123.04415	0.6
123.11720	1.1
127.03871	0.9
131.04861	0.4
131.08574	0.7
133.10121	1.0
135.08054	0.6
137.05986	0.7
137.13197	0.4
139.03853	0.9
145.04935	0.6
147.11665	1.2
149.13364	0.6
155.01082	0.8
157.04749	0.4
159.08095	0.4
163.06024	0.4
163.11113	0.5
165.12758	0.8
169.04677	0.9
173.13171	0.5
185.04083	0.5
191.14299	2.1
203.05241	1.6
207.10352	0.4
230.11723	0.9
259.16702	1.6
263.16473	0.9
277.17743	2.8
285.16974	0.9
354.65927	0.4
356.28030	0.4
358.80734	0.4
367.17160	1.4
369.18796	5.0
439.23026	100.0
440.23367	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01868	0.4
55.05498	0.5
55.85866	0.3
57.03434	0.7
58.27946	0.3
65.03900	0.2
67.05498	0.6
69.03421	1.2
69.07056	1.8
70.25035	0.7
70.25461	0.6
73.02908	1.2
79.05506	0.7
81.03420	0.3
81.07048	0.7
83.05002	0.4
85.02897	1.7
85.06559	0.3
85.92162	0.3
91.05489	0.6
93.07053	0.6
95.01102	0.5
95.04973	0.5
95.08611	0.8
97.02834	1.1
98.97572	0.4
105.07011	0.9
107.08578	0.7
109.02860	0.3
109.10142	0.7
111.11710	1.2
113.02116	0.6
115.03948	0.5
119.08563	0.6
121.10163	0.7
123.14211	0.3
125.01965	0.3
127.03830	0.9
131.08514	0.4
133.04938	0.3
133.10168	0.5
135.08139	0.3
137.05943	0.3
139.03854	0.8
141.05232	0.5
141.06906	0.3
145.04967	0.6
145.10187	0.4
148.07565	0.3
153.01802	1.2
157.04779	0.5
157.10173	0.3
163.06084	0.3
165.09096	0.4
169.04733	0.5
186.04980	0.3
201.03680	0.4
203.05289	3.3
207.13583	0.5
239.07257	0.3
245.08087	0.6
255.11264	0.7
257.08209	0.3
259.16681	3.1
269.12628	0.4
270.25189	0.3
277.17755	1.8
285.07562	0.3
315.13382	4.4
322.54068	0.3
369.18774	6.8
404.66895	0.4
439.23022	100.0
440.23373	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	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35891	0.5
53.03951	0.9
55.01852	0.5
55.05495	1.7
56.63923	0.4
57.03419	0.4
57.62895	0.5
65.03953	0.8
67.05502	4.2
69.03431	5.0
69.07053	2.3
69.73765	1.5
69.74180	2.0
70.06582	0.5
71.04987	0.9
77.30626	0.5
78.73737	0.5
79.05489	5.4
81.03436	1.2
81.07045	6.0
83.04980	2.5
83.08617	1.1
85.02911	2.8
85.06556	0.6
87.00816	1.6
91.05479	5.8
93.07030	3.4
95.04968	3.1
95.08595	1.4
97.02882	2.0
97.06510	0.8
99.04423	0.6
103.05532	0.6
105.01865	1.2
105.07021	7.1
107.04960	3.8
107.07857	1.1
107.08582	17.8
109.02837	2.6
109.06493	2.3
109.10161	7.3
115.05446	1.4
117.07004	2.0
118.07788	1.0
119.08567	4.1
121.06513	2.1
121.10142	11.4
122.07288	4.8
123.08038	1.2
127.03884	2.6
131.08563	2.7
133.10121	100.0
134.10480	1.2
135.04366	0.6
135.08047	5.3
135.11664	1.8
137.05963	1.1
137.09605	50.6
143.08505	1.2
145.04909	0.6
145.06503	0.5
145.10094	1.7
147.04378	0.6
147.11655	3.1
149.05922	0.6
149.09604	4.5
149.13263	7.0
157.10135	0.6
158.10896	1.2
161.09677	0.8
161.13243	1.3
163.11168	0.7
163.14815	2.1
171.11810	0.6
173.13274	6.3
175.11205	0.6
176.79471	0.5
177.12811	0.6
187.11278	0.7
187.14804	0.7
189.12704	0.7
191.14297	44.5
192.14703	0.5
203.14317	0.5
207.13847	0.6
212.21954	0.5
213.03954	1.0
217.08530	0.5
231.04994	1.6
233.15408	0.7
245.15312	1.1
299.16498	0.6
333.80386	0.5
335.18570	0.9
395.16907	1.0
439.15686	2.2
439.23587	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18271	0.4
55.01861	0.6
55.05500	0.6
57.03418	0.7
65.52714	0.4
67.05488	0.8
69.03407	1.2
69.07067	2.0
71.58205	0.4
71.58619	0.8
73.02892	1.3
79.05486	1.0
81.07057	1.9
85.02902	2.5
88.63592	0.3
91.05470	1.4
91.71320	0.4
93.07018	1.5
95.04904	0.7
95.08598	1.6
96.01859	0.6
97.02856	1.2
97.10163	0.4
98.98475	0.4
103.05399	0.5
104.21516	0.4
105.07004	1.2
107.08579	1.4
109.02871	0.8
109.06489	0.9
109.10162	0.7
111.11703	0.7
113.02130	0.8
119.08541	1.2
120.08107	0.6
121.06537	0.4
121.10117	0.9
123.04415	0.6
123.11720	1.1
127.03871	0.9
131.04861	0.4
131.08574	0.7
133.10121	1.0
135.08054	0.6
137.05986	0.7
137.13197	0.4
139.03853	0.9
145.04935	0.6
147.11665	1.2
149.13364	0.6
155.01082	0.8
157.04749	0.4
159.08095	0.4
163.06024	0.4
163.11113	0.5
165.12758	0.8
169.04677	0.9
173.13171	0.5
185.04083	0.5
191.14299	2.1
203.05241	1.6
207.10352	0.4
230.11723	0.9
259.16702	1.6
263.16473	0.9
277.17743	2.8
285.16974	0.9
354.65927	0.4
356.28030	0.4
358.80734	0.4
367.17160	1.4
369.18796	5.0
439.23026	100.0
440.23367	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61079	0.8
52.03418	0.8
55.05495	1.8
56.96555	1.8
59.66217	0.7
67.05502	4.5
69.03449	1.2
69.07055	2.5
70.05595	4.2
73.02911	1.0
76.77373	0.9
79.05473	1.7
81.03413	2.1
81.07072	5.2
83.04978	1.2
83.08578	1.5
85.02899	3.5
88.75829	1.0
91.05468	2.9
93.07036	3.1
95.04974	1.3
95.08592	4.6
96.86176	0.9
97.02896	1.1
97.06535	1.2
105.07009	4.6
107.04926	1.4
107.08584	3.1
109.10159	5.6
119.08549	4.3
121.10146	2.5
123.11698	1.7
127.03922	1.3
129.52608	1.0
131.08571	1.9
133.10121	2.8
135.11694	1.7
137.06006	1.0
137.09593	1.5
139.03902	2.5
145.10129	2.4
147.11658	2.0
148.27553	0.9
149.13283	1.1
151.03903	1.6
159.11708	2.7
161.09592	0.9
161.13219	1.5
165.09077	1.7
171.11716	0.9
173.05809	1.0
175.11148	1.7
175.14723	0.9
179.03548	1.0
185.04237	3.7
187.14905	1.1
193.12225	1.3
197.09648	1.1
203.17986	1.3
237.02831	0.9
277.14102	100.0
278.14328	0.9
317.06573	1.8
372.82486	1.0
421.09097	1.4
439.19366	89.2
439.35620	3.2
440.19977	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1903
Annotation	Pakyonol
Peak:m/z	Relative Intensity
51.41171	3.5
53.03961	3.8
54.63197	3.2
55.05490	4.2
56.96570	7.0
57.03418	4.1
67.05492	18.9
68.98341	3.5
69.07058	6.9
71.63275	4.7
73.02879	5.7
79.05475	13.5
81.07059	25.7
83.04986	4.9
85.02901	9.3
91.05470	10.3
93.07017	16.7
95.08581	22.1
97.02901	4.2
105.07009	9.8
107.08577	16.9
109.10149	17.8
111.08025	5.5
116.98551	6.1
118.50242	4.3
119.08563	16.3
119.69836	4.0
121.10124	10.9
131.08534	4.5
133.10129	12.1
135.08044	4.7
135.11661	5.9
137.09570	5.5
145.10115	11.2
146.02361	5.2
147.11696	13.1
149.01225	6.2
149.09547	3.9
152.29919	4.1
156.03604	8.2
157.10095	5.9
158.99553	3.8
159.11671	6.5
161.01183	5.0
161.13145	4.8
168.08011	4.1
170.99837	4.1
173.13237	8.8
175.14803	5.2
176.75629	4.1
177.00682	8.9
189.00711	6.0
189.16333	5.7
191.03850	6.8
191.17938	4.7
201.16382	5.0
219.01816	3.8
263.06030	10.9
279.04022	4.9
309.04813	5.3
358.16403	34.0
358.66400	11.1
439.19022	100.0
439.35742	15.8
439.69156	34.0
440.19327	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	439.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01857	1.9
56.96559	0.5
57.03424	1.1
62.54116	0.5
65.03918	0.7
67.05493	1.2
69.03411	1.4
70.06555	0.6
71.04995	3.2
71.60873	0.7
78.36078	0.6
79.05466	1.7
79.05916	0.5
81.03416	0.5
81.07047	1.3
83.04967	0.5
84.04496	0.7
85.02908	3.1
85.06528	1.5
85.79617	0.5
87.04443	1.4
91.05463	0.7
93.07004	1.4
95.04959	2.5
95.08597	0.9
96.04478	0.8
97.02856	1.0
98.06058	2.4
105.07016	1.1
107.04949	0.7
107.08615	2.5
108.04484	3.6
109.02894	0.9
109.06561	0.6
109.10102	0.9
115.03902	0.8
119.04922	1.1
121.02834	2.8
121.06438	0.7
122.05995	1.6
123.04394	1.4
124.07595	0.9
127.11185	0.7
129.06966	0.5
133.06474	0.8
135.08038	4.3
136.07523	1.4
137.05969	1.7
138.05495	1.2
140.07068	2.6
150.05466	1.2
150.09071	0.9
154.08565	0.5
155.07068	0.6
155.14386	0.6
160.07532	1.8
161.05949	0.6
161.10707	1.1
162.09142	0.9
163.08681	1.7
164.06975	0.8
167.07024	0.6
168.06537	6.0
174.09117	3.2
176.10683	0.7
177.10271	3.1
178.08621	33.0
179.08954	1.1
183.06509	0.9
184.07547	0.6
187.06030	1.0
187.08791	0.7
188.07042	2.5
188.08835	0.5
189.01740	1.5
195.02817	0.9
198.09132	0.5
201.10155	2.5
202.08618	6.2
203.08760	0.5
205.09732	7.5
206.08105	7.0
207.02907	1.6
216.10124	1.9
217.09592	0.6
219.07706	0.5
219.11261	6.0
220.09671	1.5
226.08597	1.0
229.09703	3.7
230.08170	2.7
231.11292	1.4
243.11229	0.8
244.09715	1.6
247.10764	25.0
248.11052	0.9
259.10654	2.3
259.14319	0.9
261.12335	1.8
265.09167	1.0
265.11819	15.9
266.12167	0.7
271.10675	1.6
272.08984	1.0
277.11804	1.4
277.15366	0.9
279.06296	0.6
282.09698	1.0
289.11835	7.6
293.08096	0.9
294.05078	1.4
295.05991	3.2
296.06528	0.9
297.07312	0.9
307.05994	6.4
307.12869	18.2
308.06610	2.0
308.13013	0.6
309.07462	0.8
320.06662	0.8
321.07532	2.3
322.08118	1.7
323.08981	0.7
325.07047	7.5
326.07440	0.9
335.15942	2.0
337.06808	2.4
347.08774	0.6
349.07166	1.2
349.13837	1.5
351.08484	1.5
351.15457	14.5
361.07178	0.7
363.08575	0.7
365.10132	1.6
375.08618	1.4
377.17047	1.3
379.07965	1.2
379.14920	1.3
379.19174	0.9
391.08127	3.2
393.09598	0.7
393.10898	0.8
393.16479	7.3
397.16031	17.3
398.16190	0.6
403.08069	2.2
409.09219	1.3
421.09039	5.2
421.16010	2.0
439.10400	11.3
439.16971	100.0
440.11154	0.9
440.17340	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	439.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01857	1.9
56.96559	0.5
57.03424	1.1
62.54116	0.5
65.03918	0.7
67.05493	1.2
69.03411	1.4
70.06555	0.6
71.04995	3.2
71.60873	0.7
78.36078	0.6
79.05466	1.7
79.05916	0.5
81.03416	0.5
81.07047	1.3
83.04967	0.5
84.04496	0.7
85.02908	3.1
85.06528	1.5
85.79617	0.5
87.04443	1.4
91.05463	0.7
93.07004	1.4
95.04959	2.5
95.08597	0.9
96.04478	0.8
97.02856	1.0
98.06058	2.4
105.07016	1.1
107.04949	0.7
107.08615	2.5
108.04484	3.6
109.02894	0.9
109.06561	0.6
109.10102	0.9
115.03902	0.8
119.04922	1.1
121.02834	2.8
121.06438	0.7
122.05995	1.6
123.04394	1.4
124.07595	0.9
127.11185	0.7
129.06966	0.5
133.06474	0.8
135.08038	4.3
136.07523	1.4
137.05969	1.7
138.05495	1.2
140.07068	2.6
150.05466	1.2
150.09071	0.9
154.08565	0.5
155.07068	0.6
155.14386	0.6
160.07532	1.8
161.05949	0.6
161.10707	1.1
162.09142	0.9
163.08681	1.7
164.06975	0.8
167.07024	0.6
168.06537	6.0
174.09117	3.2
176.10683	0.7
177.10271	3.1
178.08621	33.0
179.08954	1.1
183.06509	0.9
184.07547	0.6
187.06030	1.0
187.08791	0.7
188.07042	2.5
188.08835	0.5
189.01740	1.5
195.02817	0.9
198.09132	0.5
201.10155	2.5
202.08618	6.2
203.08760	0.5
205.09732	7.5
206.08105	7.0
207.02907	1.6
216.10124	1.9
217.09592	0.6
219.07706	0.5
219.11261	6.0
220.09671	1.5
226.08597	1.0
229.09703	3.7
230.08170	2.7
231.11292	1.4
243.11229	0.8
244.09715	1.6
247.10764	25.0
248.11052	0.9
259.10654	2.3
259.14319	0.9
261.12335	1.8
265.09167	1.0
265.11819	15.9
266.12167	0.7
271.10675	1.6
272.08984	1.0
277.11804	1.4
277.15366	0.9
279.06296	0.6
282.09698	1.0
289.11835	7.6
293.08096	0.9
294.05078	1.4
295.05991	3.2
296.06528	0.9
297.07312	0.9
307.05994	6.4
307.12869	18.2
308.06610	2.0
308.13013	0.6
309.07462	0.8
320.06662	0.8
321.07532	2.3
322.08118	1.7
323.08981	0.7
325.07047	7.5
326.07440	0.9
335.15942	2.0
337.06808	2.4
347.08774	0.6
349.07166	1.2
349.13837	1.5
351.08484	1.5
351.15457	14.5
361.07178	0.7
363.08575	0.7
365.10132	1.6
375.08618	1.4
377.17047	1.3
379.07965	1.2
379.14920	1.3
379.19174	0.9
391.08127	3.2
393.09598	0.7
393.10898	0.8
393.16479	7.3
397.16031	17.3
398.16190	0.6
403.08069	2.2
409.09219	1.3
421.09039	5.2
421.16010	2.0
439.10400	11.3
439.16971	100.0
440.11154	0.9
440.17340	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	438.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
56.96555	2.8
57.07064	3.7
58.06578	1.6
61.02920	2.1
63.05505	1.2
65.25538	1.3
67.05484	2.3
69.03413	2.0
70.06590	13.6
71.08614	1.2
71.60941	1.5
72.08140	1.1
73.02898	2.2
77.43407	1.0
79.05445	1.2
81.03408	1.5
81.07050	3.9
83.08605	1.7
85.02898	3.1
88.07626	17.2
91.03956	1.1
91.05444	2.4
93.07026	2.2
95.04975	1.6
95.08636	2.4
97.02885	2.2
98.97567	1.5
102.09171	12.3
105.07035	1.4
107.08575	2.0
107.61525	1.2
109.10161	2.8
115.03854	1.3
116.98619	2.1
119.08588	2.1
121.10139	2.4
131.08481	1.6
135.58334	1.4
139.03886	1.7
145.10187	1.7
147.11673	2.3
149.01138	2.3
149.02333	46.7
149.03371	2.1
173.13306	1.5
193.04942	49.3
195.06183	1.1
228.23213	39.8
228.25339	2.6
229.23486	1.8
237.07544	56.4
243.08876	1.7
259.12225	2.4
272.25766	1.9
285.09955	1.7
324.11401	15.1
324.61682	5.3
344.62808	1.9
438.28510	100.0
439.28821	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01860	2.6
55.05511	4.5
57.03430	25.0
57.07062	2.7
61.02932	9.2
65.03928	2.7
67.05499	78.0
69.03423	22.4
69.04808	1.1
69.07059	2.9
71.01347	2.4
71.04980	5.4
71.61234	2.7
73.02496	3.0
73.02909	48.8
79.05479	4.5
81.03411	4.5
81.07058	16.2
81.39436	1.3
83.05007	1.9
85.02898	45.8
85.06548	2.1
86.97793	1.4
87.00832	1.7
87.04456	3.7
91.05489	2.7
93.07046	3.0
95.04967	1.8
95.08601	3.9
97.02271	2.7
97.02885	39.5
97.06540	1.3
99.04436	3.1
105.01846	1.5
105.07039	3.2
107.08585	4.4
109.02871	3.7
109.10149	100.0
110.10509	2.5
111.11692	1.5
115.03927	31.3
119.08559	2.8
120.08135	1.5
121.02879	1.2
121.10147	2.7
123.04394	1.6
124.07594	3.5
126.09110	1.2
127.03904	13.7
131.08554	1.2
132.06602	1.5
133.04958	7.8
133.10127	4.9
135.11644	1.6
137.06050	2.1
137.09554	2.3
137.13228	3.9
139.03915	1.6
145.04970	14.5
145.10138	2.5
147.11699	1.7
149.07115	1.2
149.09634	1.4
150.07607	3.3
153.12740	4.6
154.13097	2.3
155.13261	1.4
155.14337	12.5
163.06020	5.3
173.13243	1.5
173.15381	7.3
191.14372	3.2
223.06027	3.6
228.81807	1.2
241.07019	3.9
255.11317	1.6
259.08102	3.9
286.07974	1.6
291.65649	1.3
295.10214	4.4
297.12158	1.9
315.13351	7.0
316.13834	1.4
364.17746	1.3
438.20325	6.2
439.15836	4.8
439.23672	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	438.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15863	1.0
53.21384	1.1
55.01873	2.1
55.05500	1.9
57.03422	3.0
61.02932	1.4
61.81811	1.3
67.05503	1.9
68.04965	1.1
69.03420	4.2
69.07049	1.6
71.59364	1.6
71.59738	2.3
72.08162	1.4
73.02914	6.6
79.05477	1.7
81.03402	3.4
81.07030	4.0
83.04978	1.8
83.06115	2.5
85.02907	9.0
85.06512	1.4
91.05462	3.7
93.07029	2.1
94.06570	1.4
95.04962	2.1
95.08575	2.1
97.02876	4.7
97.06534	1.6
98.97572	1.7
99.04488	1.7
103.05428	1.9
105.07018	6.6
107.04950	6.0
107.08579	2.1
109.02893	1.5
109.06503	1.6
109.10130	3.4
115.03880	1.6
115.07672	1.2
116.98647	1.5
119.04913	2.0
121.06483	3.9
121.10149	1.2
123.04420	1.7
123.08071	1.6
124.07532	1.6
125.05984	2.7
126.09119	1.7
127.03896	3.8
127.07588	2.3
127.11169	1.6
128.13503	1.2
131.04898	1.5
131.43321	1.1
133.06483	2.9
135.08054	2.8
136.06145	1.5
136.07547	4.4
137.05943	5.9
144.10185	3.0
144.13815	2.7
149.05939	2.6
150.06685	1.7
151.07516	2.9
153.05482	2.4
155.10620	2.9
161.06003	1.9
163.03900	2.0
163.07529	3.1
165.09093	2.6
167.07072	7.1
173.11661	1.9
176.09105	1.4
177.05472	2.7
181.04906	1.2
181.08620	1.5
183.06578	2.6
193.08589	10.4
207.10129	1.9
209.08049	1.9
211.09657	20.1
218.24628	1.2
223.13249	2.5
226.08521	1.4
241.14331	3.2
250.07645	1.2
276.12357	1.4
307.11691	2.8
325.07068	1.7
347.05057	1.3
347.14828	2.6
427.16568	2.0
438.23328	3.1
439.10718	3.9
439.15692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59365	0.3
53.03939	1.3
55.01862	1.9
55.05506	0.9
57.03429	1.3
57.07064	0.5
59.04996	1.0
61.02919	1.2
68.99791	0.9
69.03425	7.5
69.07063	4.6
69.60266	0.9
69.60690	1.6
71.04993	1.4
71.08627	49.0
73.02915	1.9
81.03414	7.2
81.07056	1.1
83.08612	0.5
85.02901	17.5
85.06564	0.4
87.00822	7.8
87.04454	0.4
91.03957	0.4
91.05499	0.5
95.08551	0.4
97.02888	8.9
98.20781	0.6
99.04454	3.6
99.08086	100.0
100.08438	0.9
105.01861	8.0
107.08555	0.5
109.02881	6.0
111.11685	0.5
116.98706	0.3
117.01847	1.1
118.91511	0.3
127.03907	11.4
129.01793	0.8
129.12744	11.2
145.04942	4.5
147.02921	0.4
155.14308	3.0
159.02887	3.1
173.15366	65.8
174.15738	0.9
177.05432	0.5
213.03856	0.7
231.04994	1.9
239.20172	0.3
241.84734	0.3
281.15131	0.6
286.07825	0.5
333.54156	0.4
438.20792	0.7
439.22913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.16724	0.4
61.79425	0.5
64.09779	0.4
67.05507	1.3
69.07061	1.6
71.58971	0.8
81.07062	3.3
83.08612	0.6
91.05466	0.5
93.07048	1.9
95.08620	5.2
100.50929	0.5
105.07032	2.1
107.08580	2.6
109.10145	3.1
117.07011	0.5
119.08593	2.4
121.10132	3.2
123.11704	1.3
131.08562	1.3
133.10135	2.9
135.08025	1.2
135.11662	1.6
143.08611	0.9
145.10138	2.1
147.11679	1.5
149.09659	1.2
149.13326	0.5
157.10150	1.3
159.11719	2.5
161.09679	0.5
161.13268	1.2
169.10117	1.0
171.11726	1.5
173.09656	0.8
173.13274	4.7
185.09598	0.7
185.13297	1.2
187.14799	1.4
189.12817	0.7
189.16374	0.5
191.14380	0.4
197.13272	0.8
199.14819	0.9
205.16013	0.5
211.14870	0.8
213.12782	1.5
215.14336	1.1
218.12740	0.5
231.13843	0.8
233.15366	3.4
235.14967	0.4
250.40280	0.5
259.46448	0.5
281.19104	0.5
284.21048	0.5
299.20074	0.7
419.33191	4.0
437.34149	100.0
438.34518	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	438.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15863	1.0
53.21384	1.1
55.01873	2.1
55.05500	1.9
57.03422	3.0
61.02932	1.4
61.81811	1.3
67.05503	1.9
68.04965	1.1
69.03420	4.2
69.07049	1.6
71.59364	1.6
71.59738	2.3
72.08162	1.4
73.02914	6.6
79.05477	1.7
81.03402	3.4
81.07030	4.0
83.04978	1.8
83.06115	2.5
85.02907	9.0
85.06512	1.4
91.05462	3.7
93.07029	2.1
94.06570	1.4
95.04962	2.1
95.08575	2.1
97.02876	4.7
97.06534	1.6
98.97572	1.7
99.04488	1.7
103.05428	1.9
105.07018	6.6
107.04950	6.0
107.08579	2.1
109.02893	1.5
109.06503	1.6
109.10130	3.4
115.03880	1.6
115.07672	1.2
116.98647	1.5
119.04913	2.0
121.06483	3.9
121.10149	1.2
123.04420	1.7
123.08071	1.6
124.07532	1.6
125.05984	2.7
126.09119	1.7
127.03896	3.8
127.07588	2.3
127.11169	1.6
128.13503	1.2
131.04898	1.5
131.43321	1.1
133.06483	2.9
135.08054	2.8
136.06145	1.5
136.07547	4.4
137.05943	5.9
144.10185	3.0
144.13815	2.7
149.05939	2.6
150.06685	1.7
151.07516	2.9
153.05482	2.4
155.10620	2.9
161.06003	1.9
163.03900	2.0
163.07529	3.1
165.09093	2.6
167.07072	7.1
173.11661	1.9
176.09105	1.4
177.05472	2.7
181.04906	1.2
181.08620	1.5
183.06578	2.6
193.08589	10.4
207.10129	1.9
209.08049	1.9
211.09657	20.1
218.24628	1.2
223.13249	2.5
226.08521	1.4
241.14331	3.2
250.07645	1.2
276.12357	1.4
307.11691	2.8
325.07068	1.7
347.05057	1.3
347.14828	2.6
427.16568	2.0
438.23328	3.1
439.10718	3.9
439.15692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05488	4.9
67.05485	6.2
69.07068	17.1
71.04288	4.8
71.04658	3.6
79.05485	4.5
81.07047	17.7
89.05941	2.0
91.05453	6.2
93.07021	11.0
95.08607	26.5
105.07045	10.8
107.08599	18.2
109.10159	12.4
117.06992	2.7
119.08557	14.3
121.10132	17.2
123.11706	13.5
131.08545	3.7
133.10118	11.4
135.08060	5.1
135.11685	5.2
137.09615	2.5
137.13226	9.4
143.08545	3.3
145.10150	8.1
147.11676	9.4
149.09625	2.9
149.13284	4.5
156.09290	2.8
157.10135	5.4
159.11693	7.1
161.09543	4.4
161.13271	7.5
169.10065	2.4
171.11696	8.1
173.13266	6.6
175.11156	3.7
175.14842	3.1
181.12306	3.0
183.11560	3.4
185.13240	6.8
187.14835	3.9
193.12221	2.4
199.14755	2.9
215.28560	2.2
239.14632	2.6
243.21056	2.9
245.22690	6.8
255.21051	2.4
271.24341	2.7
281.19128	3.6
283.24173	4.0
323.27451	3.3
324.28183	4.6
389.59592	2.2
419.33047	12.6
437.34161	100.0
438.34402	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01867	1.4
55.05465	0.3
67.05450	0.6
67.83292	0.3
68.99756	1.1
69.03425	5.9
69.07034	0.9
69.34936	2.5
69.35349	0.7
73.02881	0.4
74.10421	0.2
78.04697	1.4
79.05447	0.4
79.39265	0.3
81.03387	0.6
81.07021	0.6
83.01315	0.3
83.04948	0.4
85.02874	0.4
85.06501	0.3
86.10738	0.3
91.05466	1.4
93.07021	0.6
94.32434	0.3
95.04939	0.7
95.08560	0.6
97.02840	1.0
97.06488	0.5
98.20715	0.6
103.05437	0.4
105.03380	0.4
105.07000	2.2
107.04919	0.4
107.08529	0.5
115.05421	0.5
119.04929	1.8
119.08538	0.8
121.02839	0.4
121.10143	0.5
123.04417	17.4
124.04345	0.4
124.05199	6.4
125.02315	1.2
126.05495	0.4
127.03863	0.6
128.06206	0.4
129.07005	0.7
131.04884	0.7
131.08525	1.0
132.05621	0.5
133.06451	1.0
133.10101	0.5
135.04362	0.5
135.08057	0.3
137.05949	0.4
139.03813	0.4
141.01819	0.5
141.06943	1.0
143.04907	0.6
143.08531	0.4
145.06467	0.6
145.10077	0.6
147.04382	5.2
147.08115	0.3
147.11682	0.3
151.03871	0.5
152.04691	0.7
153.06969	1.0
155.08582	1.7
157.06430	0.3
157.10095	0.5
159.04384	0.4
159.07994	1.0
160.05173	2.4
161.05940	2.6
163.03877	0.9
165.05449	1.5
165.06982	1.0
167.07162	0.3
167.08496	0.5
168.05664	0.4
169.06462	1.5
171.04364	0.8
171.08035	0.4
173.05940	1.0
173.09544	0.3
175.03888	1.8
175.07483	0.5
177.05457	0.4
183.08081	1.9
185.05962	0.7
187.03888	1.2
187.07529	2.4
188.04671	26.6
189.05455	19.0
190.06015	0.5
193.06560	0.5
193.08459	0.3
197.06007	1.2
199.03888	2.4
199.07524	0.9
200.04544	0.5
201.05388	0.8
201.09149	0.6
203.03368	0.9
204.04198	0.5
207.06577	0.4
211.07532	3.5
211.09457	0.5
212.07806	0.3
213.05446	0.7
213.09044	0.4
214.06216	0.5
215.03391	8.8
215.06911	3.9
216.04169	8.5
217.04944	19.9
218.05495	0.4
221.05984	0.4
225.05389	0.8
227.03404	3.1
229.04887	1.0
229.08568	10.3
232.03638	0.7
239.07018	5.3
240.07629	0.4
241.08536	1.1
243.02893	4.9
243.06499	1.3
244.03653	35.2
245.04424	37.5
246.04971	1.4
247.05997	0.4
249.05414	0.4
255.02855	2.2
256.03595	0.4
257.05194	0.4
257.08066	11.7
259.09680	0.3
267.06491	3.0
269.08035	1.9
272.03183	3.4
273.03928	4.5
274.04623	0.8
275.20160	0.3
285.07550	100.0
286.07892	2.9
297.07483	0.6
315.08707	0.3
315.13309	0.8
362.19730	0.3
367.07837	0.4
367.12070	0.3
368.08685	0.3
369.09729	2.1
381.13132	1.3
391.11691	1.1
396.08365	16.5
397.08658	0.7
409.12656	1.7
419.33032	0.3
437.12320	43.8
437.21783	1.1
438.12497	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.123
Annotation	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Peak:m/z	Relative Intensity
55.01845	1.3
67.05482	0.3
68.99766	1.4
69.03428	6.5
70.83551	1.1
78.04675	1.4
79.05454	0.5
81.07010	0.5
85.02879	0.4
91.04858	0.3
91.05441	1.0
92.27439	0.3
93.07050	0.4
95.04922	1.0
95.08589	0.6
97.02877	0.6
97.06483	0.4
103.05434	0.6
104.06264	0.4
105.07047	2.2
106.04128	0.5
107.04929	0.5
107.08549	0.5
109.02847	0.4
109.10180	0.5
112.00713	0.3
115.05430	1.1
117.07027	0.3
119.04935	2.1
119.08566	0.8
121.02855	0.6
123.04424	17.5
124.05206	7.3
125.02332	1.9
128.06203	0.3
129.06989	0.9
131.04921	0.9
131.08548	0.9
132.05708	0.6
133.06488	0.7
135.04428	0.5
135.11731	0.4
137.05945	0.6
139.03882	0.4
141.01743	0.5
141.06969	0.7
143.08565	0.4
145.06422	0.7
147.04393	5.1
151.03854	0.7
152.04657	0.7
153.06934	0.8
155.08511	1.7
157.06548	0.5
159.04378	0.5
159.08000	0.6
160.05168	2.5
161.05954	2.2
163.03911	0.9
165.05441	1.5
165.06967	1.3
169.06439	1.3
171.04352	0.7
171.08037	0.4
171.56979	0.3
173.05977	1.1
175.03864	1.4
175.07545	0.8
177.05479	0.6
183.08028	1.9
185.05945	1.0
187.03886	1.5
187.07507	2.1
188.04669	26.2
189.05449	19.5
190.05994	0.4
191.03369	0.8
197.05927	1.5
199.03882	2.8
199.07536	0.6
200.04651	0.4
201.05484	1.2
201.09151	0.6
203.03493	0.6
204.04085	0.5
205.05072	0.4
211.07533	3.0
213.05489	0.7
214.06180	0.6
215.03413	8.3
215.06973	4.3
216.04182	8.0
217.04948	19.0
217.08360	0.8
225.05473	0.9
227.03369	2.6
227.06841	0.4
229.04930	1.4
229.08583	11.7
230.28557	0.3
232.03622	0.8
239.07025	5.3
241.05008	0.4
243.02924	5.5
243.06436	0.8
244.01070	0.7
244.03658	32.7
245.04437	39.6
246.04826	1.0
255.02921	1.6
257.04288	0.5
257.05203	0.5
257.08069	11.7
258.08652	0.4
267.06522	2.1
268.06970	0.4
269.07956	1.8
272.03131	2.8
273.03900	3.8
274.04584	0.8
285.07559	100.0
286.07813	3.0
297.07663	0.6
368.08792	0.4
369.09561	2.1
381.13354	1.8
391.11789	1.1
396.08374	17.3
397.08682	1.0
409.12625	1.7
437.12283	47.6
438.12671	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05486	0.2
57.14751	0.2
60.84908	0.2
67.01853	0.8
67.05491	0.5
68.71518	0.2
68.99786	2.0
69.03408	0.7
69.07064	0.5
69.34354	0.2
69.34647	2.6
79.05489	0.3
81.07058	0.8
85.02883	0.3
86.55059	0.2
87.47092	0.2
88.88248	0.2
90.21893	0.2
91.05460	0.6
93.07059	0.4
95.04926	0.4
95.08591	0.5
97.02870	0.5
98.47696	0.2
103.05435	0.3
105.07030	0.6
105.88360	0.2
107.08543	0.4
109.02869	0.3
109.10140	0.4
111.00792	0.7
111.04424	0.3
115.05432	2.0
117.07007	0.3
119.08568	0.3
121.02842	2.2
122.02715	0.5
123.04424	4.8
127.03938	0.5
128.06218	0.7
129.06990	0.6
129.89053	0.3
131.04912	0.5
131.08539	0.3
131.99368	0.3
133.10112	0.4
137.02347	1.2
137.03258	0.3
139.03944	0.3
139.05374	1.2
141.06975	1.9
143.04929	3.2
145.06473	0.5
147.04343	0.2
151.03865	1.8
152.06255	0.5
153.01816	25.5
153.06908	1.1
155.04901	1.1
155.08548	1.1
156.05704	0.4
157.06471	1.3
159.07988	0.3
160.05193	0.4
161.05966	0.8
163.03911	1.0
165.01851	1.1
165.06967	1.4
167.03560	0.2
167.04916	0.8
168.05560	0.4
169.06491	2.6
170.07272	0.2
171.02858	0.7
171.04416	2.5
173.05927	1.4
175.03911	0.4
177.05490	0.7
177.99919	0.4
179.03387	24.6
180.03844	0.4
181.01413	0.3
181.06458	1.8
183.02895	0.5
183.04424	1.1
183.08073	1.1
184.05168	1.6
185.05962	7.7
186.03094	0.3
186.06544	0.3
187.03896	1.0
187.07550	1.1
189.05457	1.7
191.03383	1.0
191.08817	0.2
193.01306	0.3
193.04930	0.7
193.06575	0.6
195.02879	6.2
195.04410	0.3
195.08026	0.4
197.05969	4.1
198.06720	1.0
199.02042	0.4
199.03888	8.4
199.07512	1.1
200.04649	0.7
201.05452	4.2
203.03421	0.3
203.06984	0.5
203.14293	0.2
205.04918	3.2
205.06630	0.3
207.02875	14.5
208.03561	0.4
209.04204	1.3
209.06113	1.8
211.03882	0.8
211.07497	1.6
212.04684	1.0
213.05450	6.0
215.03531	0.3
215.06979	4.0
215.08815	0.4
216.07773	0.5
217.04936	4.9
219.02814	0.7
219.08076	0.4
221.04376	5.0
223.07513	1.1
225.05434	1.0
226.06235	0.4
227.07130	1.2
228.04301	0.3
229.04926	4.8
229.08444	0.3
230.05704	1.1
231.02890	0.5
231.06430	1.2
232.03691	0.5
233.04301	2.8
235.02357	1.1
237.05397	2.3
239.01744	0.4
239.07022	1.4
241.04956	1.0
243.06468	5.2
245.04631	0.2
247.07849	0.4
249.05493	0.3
251.07039	1.7
255.06505	1.6
257.08072	3.6
263.07117	0.3
265.04910	1.4
266.05817	0.9
267.06546	0.7
269.04572	0.4
275.06992	0.5
277.05014	0.3
279.06613	1.3
283.05951	1.2
285.07434	0.7
289.08615	0.9
291.06320	0.3
292.07306	0.5
293.04428	0.9
293.08005	0.5
294.05215	2.0
295.06015	1.0
299.06952	0.4
302.05807	0.7
303.06476	1.0
305.04584	0.5
307.06003	0.7
307.09561	0.4
311.05377	1.6
317.08017	2.4
319.05991	1.0
320.06641	0.7
321.04031	0.4
321.07635	0.7
322.04651	0.9
323.05518	0.7
327.06512	0.9
330.05338	0.5
331.05966	0.7
335.05325	0.8
335.09158	1.8
339.04953	0.8
340.05844	1.0
345.07544	3.9
346.08121	0.4
347.05447	0.5
348.06335	0.8
349.07068	1.0
350.04053	1.3
351.05045	1.3
355.05884	0.8
362.07706	0.3
363.04745	1.2
363.08673	4.8
367.04404	1.4
367.08273	0.5
368.05252	5.7
369.05759	0.4
373.07053	3.0
375.04956	0.5
376.05740	3.6
377.06406	0.6
378.03757	0.4
379.04401	1.7
383.05560	0.4
391.08133	13.4
392.08942	0.3
395.07715	1.5
401.06476	1.9
403.04651	0.4
409.09177	6.0
419.07599	9.2
419.43375	0.3
420.07776	0.8
421.05276	0.6
422.06311	0.4
437.08640	100.0
438.09003	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24658	0.3
55.05490	1.4
59.04999	0.7
67.05505	0.7
69.03410	1.0
69.07049	1.5
70.89919	0.8
70.90256	0.8
71.04985	10.7
73.06556	2.6
79.05481	2.8
80.08140	0.3
81.03394	0.8
81.06573	0.8
81.07053	13.8
83.08607	0.4
85.02906	3.1
87.00813	1.5
91.05464	1.0
93.07041	8.7
95.08636	1.7
95.48943	0.4
97.02885	1.7
97.06532	1.4
99.04438	0.7
105.01846	3.4
107.08595	8.0
108.41035	0.3
109.02901	0.5
109.10157	1.4
127.03913	2.3
133.01822	0.4
135.11681	14.5
145.04944	0.8
153.12737	100.0
154.13097	2.4
159.02890	0.5
231.05153	0.7
246.68379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
53.84188	2.3
55.01862	8.7
55.05495	7.9
56.96560	2.6
57.03421	6.0
61.02919	6.0
62.85767	2.5
67.05492	8.4
68.95109	2.6
69.03422	21.0
69.07063	5.5
71.04992	5.9
73.02911	7.6
76.14690	3.1
77.18073	2.5
79.05489	16.6
81.03414	24.2
81.07039	17.3
83.04971	7.4
84.04473	2.9
85.02422	4.3
85.02903	71.6
87.00830	24.7
91.05470	24.5
93.07041	87.5
95.04964	10.3
95.08594	14.0
97.02885	37.7
97.06514	9.3
98.97548	3.1
99.04462	12.6
105.01859	23.7
105.07008	12.3
107.08595	100.0
108.08932	3.2
109.02877	17.4
109.06503	5.5
109.10130	3.8
117.01846	3.8
119.08561	6.4
121.10114	3.7
121.19086	3.3
125.09652	3.3
126.05555	4.6
127.03917	46.7
129.23930	2.7
133.10127	6.7
135.11694	87.5
137.05846	4.4
137.09633	3.4
137.13217	9.5
140.45706	2.6
145.04951	21.9
147.02803	2.6
147.04387	5.5
147.11693	3.3
147.72525	2.7
148.04707	4.5
153.01807	10.4
153.12747	13.2
154.02119	4.9
159.02882	17.2
165.12711	4.2
213.03940	3.3
231.05005	12.8
243.13632	3.5
252.09430	4.1
261.14801	5.0
261.30148	2.5
273.07516	8.8
274.07980	28.5
298.99777	2.7
436.18112	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53378	1.0
52.28652	1.0
53.03939	8.3
55.01872	6.3
55.05512	6.7
57.03428	3.9
59.04982	1.1
61.02932	4.8
65.03923	1.7
67.05505	6.1
68.99786	2.8
69.03425	23.6
69.07058	5.0
69.70384	7.8
71.04997	5.8
73.02917	10.7
75.15939	0.9
78.37634	1.1
79.05492	13.8
81.03417	22.7
81.07051	9.5
82.71975	1.0
83.04983	2.2
83.08640	1.8
85.02901	61.3
87.00830	21.1
87.04459	1.5
91.03959	1.3
91.05476	20.2
93.07040	84.8
95.04975	5.9
95.08603	13.2
97.02890	22.7
97.06551	8.1
99.04466	10.8
105.01864	29.6
105.07018	8.4
107.08591	100.0
109.02882	23.9
109.06512	4.9
109.10147	9.0
111.08129	1.0
115.03944	2.5
117.01868	3.3
117.31451	0.9
119.08594	2.3
121.10156	1.9
123.11705	1.1
127.03914	50.1
129.01846	2.9
131.04849	1.1
131.08533	1.1
133.10152	2.3
135.11688	74.5
137.02405	1.0
137.05977	6.7
137.13284	2.1
145.04951	26.4
145.10138	1.4
147.02928	2.1
147.11745	1.2
153.12737	8.8
159.02887	16.3
159.06445	1.1
163.11255	1.4
171.13783	5.6
189.03906	1.4
196.47380	1.2
213.03937	2.3
230.05301	1.0
231.04950	12.4
234.19528	1.1
234.74071	1.1
238.18874	1.9
249.06076	3.6
256.38870	1.1
261.14944	2.8
274.07962	1.1
303.05002	10.9
304.05334	27.3
305.05389	1.6
306.14395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52396	0.3
55.01849	0.4
55.05500	1.3
56.01261	0.3
57.03404	0.4
59.04984	1.3
67.05504	0.6
69.03413	1.2
69.07085	1.8
70.90041	0.8
70.90376	0.6
71.04589	0.6
71.04987	10.7
73.06552	2.6
79.05495	3.0
80.79272	0.4
81.03418	0.6
81.07051	13.3
85.02905	3.8
87.00813	1.5
91.05466	1.2
93.07040	8.9
95.08630	1.7
97.02902	0.9
97.06505	1.1
105.01888	2.5
107.08586	6.6
109.02859	0.8
109.10170	1.2
119.08733	0.3
127.03905	1.9
135.11682	16.8
145.04965	1.3
153.12735	100.0
154.13074	1.7
214.21643	0.4
218.38068	0.4
256.56097	0.4
278.27890	0.3
281.74194	0.4
293.00058	0.4
376.05832	0.4
399.49860	0.4
455.28680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01858	2.1
56.93343	0.6
57.03434	7.1
60.75678	0.6
61.02909	2.8
69.03434	5.3
69.07040	1.2
70.06580	1.3
70.79273	1.8
71.04965	0.6
73.02908	14.5
75.04459	1.8
79.05470	1.8
81.03399	2.3
83.05020	0.9
85.02898	17.0
86.09717	0.8
87.04456	1.1
91.05470	1.8
93.07008	1.2
95.04955	1.0
97.02885	10.7
97.56141	0.7
99.04446	1.1
103.03897	1.1
103.05457	1.3
105.07024	22.3
107.04934	2.7
107.08606	0.8
109.02841	2.0
109.06564	0.8
111.04419	0.9
115.03909	4.7
122.03643	1.3
124.02183	1.0
125.06000	3.4
127.03905	8.1
128.04276	1.2
129.04288	1.1
131.04915	0.9
133.05029	5.0
133.06483	52.0
134.06854	1.0
135.08009	0.9
137.05968	100.0
138.06329	1.3
144.10278	0.8
145.04932	6.7
148.07503	1.3
151.07538	0.9
159.08150	0.7
161.05856	0.7
163.06065	2.0
163.07545	4.0
165.09106	32.6
165.10498	1.6
175.07527	2.8
177.09085	1.0
181.08659	1.9
183.10168	24.5
184.10622	0.7
203.10660	1.9
221.11700	4.5
239.12682	3.7
241.07016	1.4
242.08180	0.9
255.73622	0.7
257.13831	58.7
258.14136	1.3
259.08344	0.8
278.10272	0.9
295.10028	0.8
296.11356	1.3
392.50781	0.7
436.18289	3.5
437.09137	0.9
437.15128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03418	1.2
57.69256	0.3
61.02914	0.5
69.03425	1.2
70.06583	0.4
71.04967	0.4
71.46227	0.7
73.02911	1.8
74.26238	0.3
79.05479	2.0
80.05006	0.9
81.03397	0.8
81.05796	2.5
81.07056	2.3
82.89120	0.4
85.02900	3.5
94.06558	0.7
94.75752	0.4
95.04984	0.6
96.04492	0.4
96.08127	12.6
97.02896	2.3
97.06517	0.7
98.97590	0.4
99.75022	0.3
106.06554	1.4
107.04944	1.5
107.08617	0.4
109.02866	0.7
109.06570	0.4
119.04964	0.4
119.08596	0.4
124.07585	100.0
125.06010	1.4
125.07948	0.9
126.09141	0.6
127.03909	1.3
127.04847	0.3
133.06483	0.8
137.05951	1.8
138.09117	0.5
142.08562	1.7
145.04951	0.6
149.05917	0.4
151.03899	0.6
151.07539	0.4
165.09122	0.4
166.08665	0.7
167.07042	1.3
170.16341	0.3
177.05457	0.5
177.09105	3.9
221.11723	0.5
256.11859	0.4
257.13986	0.8
304.13873	2.1
339.11169	0.4
436.18784	1.7
437.19989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03425	5.1
61.02951	0.8
62.06085	1.1
69.03415	3.0
70.05414	3.3
73.02924	2.0
75.04474	3.5
79.05484	2.5
81.03436	1.2
81.07063	1.0
83.04985	1.3
85.02888	9.0
86.09711	0.9
88.10036	0.8
91.05431	1.1
97.02895	2.3
103.05449	1.3
105.07024	23.8
107.04949	3.2
107.08611	1.2
109.06538	1.2
121.06468	1.4
122.03706	0.9
123.04432	1.3
127.03947	2.3
133.06488	56.2
134.06908	1.2
135.08005	1.2
137.05968	100.0
138.06293	1.8
145.04980	1.3
151.07536	1.0
163.07539	4.6
165.09097	34.0
167.06990	1.2
175.07510	4.3
177.09102	1.6
181.08582	3.7
183.10165	24.9
193.08678	1.2
203.10718	1.8
209.11720	1.7
221.11699	4.0
225.11226	0.8
237.02690	1.0
239.12839	3.2
242.08090	1.3
257.13837	77.1
258.14142	1.7
289.11905	1.2
296.11295	1.0
334.09985	1.0
392.76822	0.9
436.18253	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	436.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01934	0.9
53.03944	2.4
55.01868	9.4
56.05029	1.8
57.03431	19.9
59.04990	2.3
61.02629	1.5
61.02921	16.7
65.03933	1.0
69.03426	30.0
69.07057	4.0
69.47285	3.5
69.47719	5.1
70.06589	1.2
71.01333	4.0
71.04988	1.9
73.02912	100.0
81.03418	6.6
83.04964	1.9
84.04495	1.4
84.08119	2.6
85.02899	79.1
87.04459	6.2
91.03939	2.9
91.05463	4.7
93.03407	1.5
93.07053	1.4
95.04963	2.2
96.04479	1.5
97.02885	55.5
98.21492	1.8
99.04446	3.5
101.02377	1.0
101.05952	1.0
103.03886	2.2
103.68849	0.9
105.07012	2.2
107.04960	1.5
107.08580	1.8
108.08070	1.6
109.02868	5.2
111.04425	6.9
115.03148	2.0
115.03918	31.6
120.08105	2.1
121.06481	1.1
121.10106	1.1
123.04417	1.7
124.07571	1.5
125.05982	26.7
126.05452	1.7
127.03909	29.8
128.04282	1.0
131.04953	1.0
133.04962	36.1
133.06459	2.1
137.05962	9.2
142.08606	1.1
144.06537	2.6
144.10136	2.0
145.04958	40.4
145.06113	2.0
149.05966	1.6
150.07619	4.2
156.06534	1.2
161.05986	1.6
162.07634	2.3
163.06021	12.4
163.07410	1.6
165.05447	1.1
167.07059	1.6
170.08107	1.4
175.07529	1.0
177.05435	1.3
180.08730	1.8
181.04895	1.5
188.09181	1.3
191.07053	1.7
193.04941	1.7
199.06053	1.9
217.07088	1.8
221.08057	1.5
223.06053	7.0
223.09529	0.9
233.08014	1.3
234.98996	1.9
239.09184	2.1
241.07065	7.3
244.60736	1.0
257.13885	3.7
259.08130	8.9
263.73062	1.3
268.25482	1.0
276.10599	1.2
277.09189	3.5
294.11716	1.8
295.10165	3.1
296.11264	1.7
304.13791	1.1
346.27353	1.0
436.18863	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55138	1.6
53.03938	3.7
55.01854	7.4
55.05507	19.0
55.09124	1.5
55.80298	1.5
57.03424	5.1
59.04982	2.8
61.02922	3.3
65.03945	1.7
67.05504	8.8
68.99786	2.0
69.03420	21.3
69.07056	6.7
70.03764	2.2
71.04989	15.0
71.60352	2.7
72.05312	2.0
72.08146	4.8
73.02899	7.0
79.05470	8.5
81.03413	13.4
81.07053	22.6
82.03749	1.9
83.04972	23.5
84.08121	3.4
85.02895	48.2
85.06517	4.0
86.03230	6.1
86.09681	3.4
87.00821	14.9
88.01142	2.2
89.06020	1.7
91.05479	11.8
93.07040	29.5
95.04967	11.7
95.08609	13.5
97.02890	19.7
97.06507	8.8
98.03220	2.6
99.04454	7.0
99.08057	2.2
103.05464	1.7
105.01863	18.0
105.07021	13.2
106.02209	2.4
107.04940	5.2
107.08585	29.5
108.04469	3.2
109.02860	12.2
109.06512	11.1
109.10136	12.6
110.03203	2.4
110.06834	2.4
111.04320	1.5
111.08031	7.8
117.07021	3.6
119.04903	4.6
119.08578	6.0
120.08086	2.5
121.02848	3.3
121.06487	4.1
121.10136	18.9
123.04407	5.5
123.08076	4.4
123.11691	6.0
125.05979	1.9
125.09585	4.8
127.03907	31.8
127.11159	5.8
128.04221	4.9
131.04924	2.3
131.08534	3.4
133.10121	22.9
134.10411	1.8
135.08061	2.2
135.11690	21.2
137.02332	3.2
137.05945	21.5
137.13258	2.6
138.06317	7.6
139.11169	7.3
143.10674	4.1
144.13805	1.6
145.04955	11.6
145.10123	8.6
146.05272	3.4
147.04402	17.8
147.11726	7.6
149.05965	3.8
149.13249	6.5
151.07504	4.1
151.11165	16.7
153.01817	19.1
153.12737	9.5
155.10645	2.7
157.04588	1.6
159.02878	6.2
159.11708	7.0
161.06041	2.1
161.13315	2.5
163.03851	3.8
163.07372	2.4
163.11195	2.7
165.09105	1.6
167.07028	10.4
169.08589	25.5
169.12248	6.6
170.08936	21.5
175.14943	1.8
177.12794	2.3
177.93484	1.6
181.04958	7.4
181.08548	2.3
189.09038	1.8
191.17900	2.0
193.08553	1.6
199.07550	1.7
201.16354	8.2
217.08514	2.1
219.17381	15.2
220.17798	1.7
226.43919	1.7
231.04976	6.7
232.03471	1.9
232.05498	1.9
233.07991	2.5
237.18478	100.0
238.18895	2.7
242.03609	1.6
242.06087	2.0
245.12912	3.0
255.19601	7.0
271.05994	11.9
272.06277	9.0
273.07324	40.1
273.12317	13.0
274.07947	3.2
285.06696	3.2
303.04938	15.0
360.15308	2.2
435.20007	43.7
436.19937	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	435.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69907	1.8
53.03932	4.3
55.01868	4.3
55.05512	20.7
57.03426	4.2
57.07050	1.8
58.92315	1.7
59.04996	2.0
61.02912	2.4
63.97100	1.7
65.03900	2.0
67.05486	7.8
69.03421	16.5
69.07061	11.7
69.47837	6.7
69.48256	10.1
70.03750	2.1
71.04984	14.7
71.22329	1.8
72.08144	4.5
73.02901	6.4
75.32454	1.8
79.05487	8.1
81.03408	12.2
81.07059	21.4
83.04976	19.5
83.08625	2.5
85.02896	40.6
85.06544	4.3
86.03228	3.3
86.09695	4.2
87.00802	11.9
91.05487	13.8
93.07039	28.4
94.07366	2.2
95.04969	8.4
95.08592	15.8
97.02884	16.5
97.06509	12.5
98.03205	2.3
99.04440	6.8
103.05456	3.4
105.01868	17.2
105.07009	14.2
107.04952	5.9
107.08583	26.1
109.02865	10.3
109.06493	10.4
109.10130	16.6
110.03208	3.4
111.08074	6.1
117.06988	3.2
119.04926	2.9
119.08570	10.9
121.02831	3.6
121.06487	5.1
121.10134	15.9
123.04424	4.1
123.08090	5.3
123.11712	5.6
125.09589	5.5
127.03907	23.8
127.07534	2.1
127.11160	7.6
128.04285	5.9
131.04929	5.3
131.08519	5.4
133.10123	23.6
135.07993	2.2
135.11693	24.3
137.02345	3.8
137.05977	20.5
137.09561	2.3
138.06311	5.3
139.11137	5.7
143.10658	4.8
145.04991	11.6
145.06462	2.4
145.10124	7.6
147.04387	10.8
147.11682	5.3
149.05959	4.5
149.09586	2.5
149.13242	6.6
151.11166	19.0
153.01807	9.7
153.12740	23.3
159.02835	3.0
159.11684	7.9
159.51054	2.3
160.03191	3.3
161.06000	4.3
161.09621	2.6
161.13217	2.6
163.03830	2.6
163.07507	4.3
163.11108	3.3
167.07008	9.8
169.08586	18.4
169.12224	5.8
170.08925	12.6
171.13803	6.5
177.05467	2.5
181.04944	8.6
181.08659	2.7
185.01305	2.1
201.16399	7.2
203.03412	3.2
204.04265	3.3
219.17413	12.1
231.04912	4.9
232.03600	6.2
233.08199	4.7
237.18481	100.0
238.18791	3.2
239.16293	3.5
242.05940	2.5
245.12727	2.1
255.19460	6.1
257.12842	9.2
271.05814	9.1
272.06400	9.5
273.07266	28.5
273.12189	10.2
284.06320	3.6
285.11792	2.1
303.04938	12.9
315.07687	3.4
401.17694	2.8
417.15659	6.3
435.20044	35.3
436.19986	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04675	0.3
55.05506	0.4
67.01859	0.9
68.99790	0.5
69.03410	1.2
71.15356	0.4
71.15714	0.6
80.49968	0.3
81.03419	0.9
83.04954	0.4
85.02882	2.0
91.05492	2.0
95.04955	1.1
97.02872	1.0
102.25584	0.3
105.07049	0.4
106.93564	0.3
107.04944	1.3
111.00880	0.4
119.04936	8.0
121.02884	0.8
121.06490	0.5
121.10163	0.3
123.04431	3.2
127.03891	0.7
131.08664	0.3
135.04396	0.3
137.02347	1.5
140.34087	0.3
145.04962	0.6
147.04401	31.3
148.04761	0.3
151.03943	0.7
153.01819	61.3
154.02161	0.7
163.03894	1.6
165.01892	0.6
167.07065	0.6
169.12263	0.5
171.02858	3.0
176.04712	0.5
183.02904	0.8
189.05482	0.9
195.02855	2.2
203.03377	1.0
204.04236	0.7
217.08531	1.0
219.02876	0.9
231.02911	0.6
231.06424	0.5
232.03636	2.8
245.08124	0.5
255.06599	0.6
261.03915	0.4
269.00751	0.3
271.05994	0.8
272.06387	1.4
273.07562	100.0
274.07898	3.4
285.07004	0.6
315.08374	0.7
339.08459	0.7
351.08887	0.5
381.09521	0.4
407.31528	0.4
417.15833	0.4
435.10803	0.9
435.21939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.8
57.03428	5.1
57.07071	4.1
59.04984	2.0
67.05509	11.9
69.03422	6.3
69.07056	12.3
70.27207	4.0
70.27631	7.5
71.04990	38.7
73.06561	5.1
75.04459	2.8
79.05490	18.0
81.07050	39.5
83.04989	3.2
83.08607	7.5
85.02896	23.7
85.06547	3.3
89.71806	2.0
91.05469	18.2
93.07040	29.4
95.04984	3.1
95.08599	36.2
97.06509	6.2
97.10171	2.6
98.20817	3.2
99.08080	8.5
103.05463	3.1
105.06372	3.4
105.07024	38.6
107.08591	36.2
109.02741	2.0
109.06495	3.8
109.10148	21.3
109.68646	2.1
111.08063	2.4
115.05469	2.1
117.06995	3.2
119.08562	17.4
121.02885	5.2
121.06474	2.7
121.10123	21.7
121.57978	2.1
121.58862	2.3
123.11684	9.4
125.09623	29.4
127.03918	4.8
127.07511	3.8
127.11189	9.9
131.08551	9.6
133.10123	95.3
135.11652	4.8
137.06018	3.5
143.10664	50.0
145.10094	14.7
147.11678	19.0
149.13242	27.6
151.11162	7.6
155.10750	2.7
159.11667	12.2
161.13261	6.1
167.14313	87.5
168.14690	3.0
169.12241	6.7
181.04944	6.4
201.16382	17.2
219.17419	100.0
220.17757	3.3
237.18466	20.2
255.91048	2.4
258.79535	2.1
272.06482	3.0
287.05457	13.9
288.05783	31.7
289.05930	3.4
435.10779	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01867	0.3
55.05518	0.4
57.03421	0.9
61.02926	1.7
65.03929	0.4
67.05495	0.5
68.59930	0.3
68.99781	0.7
69.03429	0.8
69.37906	0.8
69.38326	2.3
70.72300	0.3
71.01337	0.4
71.04970	0.8
73.02915	15.2
76.51561	0.3
79.05491	0.4
81.07038	1.0
85.02879	1.1
85.06551	0.4
91.05462	0.6
93.07029	0.7
95.04961	0.7
95.08590	0.5
95.75925	0.4
97.02883	0.5
97.06527	0.4
98.21433	0.6
105.07022	0.9
105.35390	0.3
107.04935	0.5
107.08596	0.5
109.02857	0.5
109.06524	0.3
109.10161	0.5
111.00789	0.8
115.03904	0.9
121.02853	1.0
121.10148	0.3
123.04453	0.6
127.03892	0.4
127.11229	0.4
133.04802	0.3
133.10150	1.5
137.02330	3.5
137.05965	0.9
145.10161	0.5
149.02325	0.4
151.11232	0.6
153.01785	4.0
155.10617	0.4
157.06465	0.5
161.06007	0.5
163.03867	1.6
165.01842	1.9
167.07059	0.9
169.12236	0.6
173.06007	0.6
177.05602	0.3
181.04935	0.4
181.08546	1.0
183.02864	0.8
189.09154	1.0
195.02890	0.5
201.05475	1.3
201.16394	0.3
207.10110	0.4
219.17348	0.4
227.06961	0.5
229.04968	4.9
237.18521	1.4
247.05969	0.9
255.06572	1.9
257.04419	2.5
267.06516	0.4
271.06030	0.4
273.07477	1.3
285.03915	0.9
285.06598	0.7
303.04974	100.0
304.05313	2.9
339.07944	0.5
342.55417	0.3
352.81763	0.4
360.15594	0.5
361.16464	0.6
435.11014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
53.59731	3.4
55.01879	5.4
55.05499	9.0
57.07058	7.9
67.05506	19.5
69.03418	10.5
69.07059	17.9
69.72467	15.2
69.72878	10.9
71.04984	25.5
79.05486	19.2
81.03419	5.5
81.07047	54.6
83.04989	8.0
83.08614	9.6
85.02890	31.9
85.06535	7.1
91.05481	25.4
93.07044	55.5
94.27589	4.4
95.04967	11.1
95.08597	52.6
97.02893	11.8
97.06509	8.1
99.08096	4.8
103.05450	6.0
105.07011	47.8
107.04936	14.7
107.08585	32.4
109.02900	6.9
109.06519	9.7
109.10159	27.6
111.08054	8.0
111.80658	4.1
115.05463	4.4
117.05433	4.4
117.06998	9.2
119.08538	29.7
121.06478	11.6
121.10123	22.5
123.04433	9.3
123.08035	4.8
123.11681	25.1
125.05971	5.4
125.09615	11.5
126.91034	4.1
127.03912	7.1
127.11176	11.1
131.04910	6.9
131.08585	9.9
133.10121	71.4
135.11702	18.4
137.05940	17.4
137.09584	18.0
137.13295	6.4
145.06448	6.5
145.10112	23.1
147.11655	13.4
149.06003	10.4
149.09587	4.7
149.13283	11.5
151.11166	18.0
155.08595	4.3
155.10646	14.6
159.11707	26.9
161.06058	7.7
161.13243	12.7
167.07043	39.0
171.06551	5.6
172.05205	6.4
173.13281	11.5
175.14801	7.8
177.12669	4.8
181.04919	50.6
186.56686	4.5
191.10646	4.3
191.17920	9.8
201.16304	30.6
209.07974	9.8
218.05608	4.5
219.10124	6.4
219.17403	100.0
221.08109	6.1
233.07979	22.8
237.18480	49.1
251.08969	7.2
263.09079	7.4
266.57913	4.3
271.06165	5.7
272.06342	14.1
273.10995	3.8
284.06302	10.5
314.07410	9.2
315.04855	5.7
324.09473	6.0
387.14511	6.0
399.14389	7.4
417.15344	19.2
434.09354	13.9
435.10641	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	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01873	5.7
55.05501	13.4
56.41497	4.9
57.03440	5.0
57.07082	5.3
58.06611	4.6
58.53426	4.8
59.04995	4.8
65.03922	7.6
66.44491	4.1
67.05495	20.6
68.99804	4.8
69.03426	17.8
69.07052	13.5
71.04990	28.8
71.61261	6.1
71.65389	4.0
79.05482	20.6
80.01082	3.7
81.03416	14.5
81.07056	57.2
83.04980	5.8
83.08613	4.9
85.02898	41.0
90.16369	4.2
91.05472	23.2
93.07035	69.3
95.04977	13.7
95.08608	46.1
97.02866	8.5
97.06533	14.6
97.10190	5.4
98.97579	5.6
99.08099	6.0
103.05465	5.3
105.07027	50.6
107.04944	16.9
107.08564	42.5
109.02925	7.3
109.06524	12.1
109.10163	25.0
111.08126	4.6
116.17355	4.2
117.07050	12.0
119.08582	39.0
121.02932	7.4
121.06549	10.1
121.10154	25.3
123.04433	8.8
123.08053	10.9
123.11680	30.7
125.05989	6.3
125.09625	15.8
127.03908	16.6
127.11197	15.0
131.04933	7.2
131.08575	16.6
133.06483	7.8
133.10118	84.4
135.11647	10.6
137.05954	15.8
137.09612	12.6
139.03972	5.2
139.11171	6.4
145.04933	7.8
145.06541	7.3
145.10109	26.3
147.11664	25.8
149.05977	11.7
149.13248	10.4
151.11182	35.0
155.10683	17.4
156.05972	4.5
159.11693	21.9
161.05945	9.8
161.09674	5.3
161.13243	9.4
165.12706	5.1
167.07034	43.2
170.80763	4.4
172.05249	6.0
173.13210	14.8
175.14851	6.5
181.04973	57.5
181.08537	7.2
187.07529	5.4
191.14311	7.1
191.17957	9.3
201.16394	35.2
207.10039	5.0
209.08115	9.8
219.10027	7.0
219.13959	7.5
219.17416	100.0
220.17848	5.5
233.07980	22.8
237.18504	65.5
263.09189	7.7
271.05869	6.1
272.06308	6.0
283.06064	5.6
284.06293	8.2
299.05453	6.3
314.07605	5.3
325.07010	6.8
325.40762	5.9
387.14429	5.7
399.14203	5.9
407.07178	5.0
417.15359	18.3
434.12048	7.3
435.18484	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	434.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50991	2.9
53.03925	8.4
55.01853	4.6
55.05496	4.7
64.58615	2.3
67.05499	18.8
69.03409	7.5
69.07054	5.0
71.04974	4.3
71.21201	5.6
73.02905	4.7
79.05479	10.1
81.03412	18.7
81.06632	4.3
81.07054	39.2
83.04974	4.6
85.02898	7.4
85.06515	4.8
91.05469	6.1
93.07034	21.3
95.04968	6.5
95.08598	24.2
97.02855	3.7
97.06494	4.3
99.08072	3.4
105.07021	8.9
107.04945	23.9
107.08575	8.1
109.02822	3.5
109.06506	4.6
109.10116	3.9
111.08060	8.8
115.98506	2.6
116.98663	3.2
117.07003	5.6
119.08621	3.9
121.06506	3.9
121.10166	4.1
123.04419	8.1
123.08074	6.5
125.09589	3.3
131.08527	8.5
133.10117	9.0
135.11703	16.4
145.06482	7.5
145.10144	2.6
149.09592	3.3
149.13217	14.3
159.08076	2.9
159.11685	24.3
167.07051	5.6
169.10106	4.8
177.12694	26.7
181.04955	6.6
184.81754	3.2
187.11192	20.0
191.03358	5.7
194.45897	2.6
195.08069	3.7
205.12244	11.6
209.15350	22.1
233.08063	4.6
237.14844	7.1
245.13708	2.8
255.15903	100.0
272.06400	3.1
284.06323	4.0
314.07629	3.7
359.05411	3.0
394.08661	5.9
403.08945	5.1
434.12564	3.8
435.10834	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38745	0.7
53.03932	1.9
55.01870	2.7
55.36872	0.8
57.03434	28.0
58.96995	0.7
59.04979	0.7
61.02634	1.1
61.02922	12.3
69.03427	30.7
69.05126	0.6
70.06554	0.7
70.89541	2.5
71.01346	2.8
71.04980	1.3
72.04504	0.8
73.02913	63.0
79.05476	1.2
81.03416	7.3
84.04508	0.8
85.02900	100.0
86.03228	2.0
87.04459	4.4
91.03944	5.2
91.05472	1.0
95.04996	1.0
97.02886	54.6
98.03207	1.2
99.04434	4.5
103.03988	1.1
105.07029	15.7
107.04991	0.8
109.02863	7.0
110.30650	0.7
114.05549	0.8
115.03925	39.7
116.93694	0.6
117.06975	1.0
119.04949	0.9
119.08552	1.0
121.02895	1.4
127.03911	31.3
132.06564	2.3
133.04956	12.2
137.05930	1.0
144.06581	0.9
145.04951	51.6
147.04387	0.8
147.08069	3.0
148.63239	0.8
150.07614	6.9
159.08055	1.0
161.06026	1.7
162.07733	0.9
163.06003	24.3
165.01830	0.8
167.07043	1.0
171.08121	1.0
177.09036	0.8
180.08704	1.4
181.05002	1.9
189.09142	1.5
193.04948	0.9
195.02954	2.1
198.04616	0.7
201.09084	3.5
209.12019	0.9
218.12787	0.8
219.10155	1.5
223.06039	3.5
231.10162	1.0
233.08162	1.0
241.07051	5.1
249.11134	1.3
255.12209	1.0
259.08136	5.6
272.06500	1.9
283.03271	0.9
283.05853	3.7
284.06396	7.7
285.07184	1.1
285.13330	9.6
295.10233	4.1
296.06479	1.6
302.15939	2.0
306.08475	0.8
309.07016	0.7
310.07974	2.3
313.07111	1.7
314.07440	6.5
322.86609	0.8
324.09592	1.6
338.07443	3.9
339.08334	0.9
362.07428	1.1
368.08521	2.4
380.08521	1.9
398.09625	2.9
416.10217	2.1
434.10114	2.2
434.15363	1.5
434.20456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01871	5.3
55.05500	1.6
57.03435	15.1
58.82717	1.3
59.96225	1.1
61.02925	13.4
62.41061	1.1
64.63583	1.1
67.65962	1.2
69.03425	27.2
69.54305	10.0
70.06586	18.6
71.01341	4.2
71.04990	2.5
71.06926	4.3
73.02914	68.7
77.03951	1.0
79.05502	2.5
79.42502	1.2
81.03407	6.5
85.02901	91.5
86.03221	1.4
86.09699	5.0
87.04483	3.6
87.10040	2.2
91.03951	4.9
91.05491	2.7
93.07063	2.0
95.04971	1.7
95.08601	1.3
97.02889	50.6
98.20744	2.2
99.04469	4.4
103.03949	3.6
103.05469	2.8
105.07024	100.0
106.07404	1.5
107.08577	1.2
107.78165	1.1
109.02872	7.4
115.03922	30.2
116.07087	54.0
117.07450	15.7
119.08598	1.8
121.02824	1.8
121.06467	1.4
123.11681	1.2
126.90209	1.4
127.02962	1.7
127.03905	30.4
128.10693	2.9
131.04883	1.4
132.06578	1.5
133.04951	31.6
137.05946	1.9
145.04956	49.3
145.06175	1.6
145.10135	1.3
147.08037	4.4
150.07652	5.9
159.08052	1.9
163.06006	29.0
172.59523	1.1
189.09120	1.8
193.08601	1.9
201.09120	4.9
207.10242	1.5
219.10185	4.7
223.05928	6.3
231.10176	2.4
241.07068	7.7
249.11313	2.3
254.14708	1.6
255.12317	3.8
259.08133	14.5
272.06317	6.4
277.09186	3.9
285.13336	7.6
287.14154	3.0
295.10199	10.5
302.15915	1.8
352.32214	1.4
354.04620	1.4
434.09448	3.3
434.19983	3.7
435.22073	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01855	0.7
56.05017	0.6
56.96561	1.6
57.03430	1.3
59.04998	1.0
61.02911	1.2
62.94664	0.2
66.03445	0.3
68.95303	0.2
69.03071	0.3
69.03421	4.1
70.06585	0.2
71.01344	0.4
71.04978	0.7
71.61523	0.2
73.02905	1.5
73.06544	0.2
75.04469	0.4
77.47478	0.2
80.13184	0.2
81.03400	0.7
83.04465	0.2
83.04945	0.2
83.06088	1.3
84.08141	0.3
84.96048	0.3
85.02895	5.2
86.06020	0.4
87.04461	2.2
89.03879	0.2
89.06020	0.3
91.03910	0.3
95.02438	0.4
97.02880	2.7
97.20343	0.2
98.03141	0.2
98.97566	2.1
99.04447	0.7
101.06010	1.6
107.04929	0.2
108.05595	2.1
109.02879	0.4
109.03986	2.4
110.97519	0.4
111.04422	0.4
115.03928	1.5
116.98626	1.9
117.03387	0.3
119.01876	0.5
121.06485	0.7
122.06011	0.3
126.06623	100.0
127.03889	1.1
127.06979	0.7
128.98572	0.6
129.05457	0.8
131.00127	0.4
131.01843	0.2
133.03423	0.2
133.27870	0.2
134.99661	1.2
136.06160	0.2
137.02882	0.2
137.05977	0.3
138.09109	0.2
139.03923	0.2
140.07095	0.5
143.00143	0.3
143.01857	0.3
145.02879	0.6
145.04927	0.7
146.99641	1.1
147.04407	0.4
147.06505	2.4
149.01195	0.4
149.05968	0.2
151.06361	0.2
151.07512	0.8
158.99641	0.6
161.01224	0.5
161.02954	0.5
161.04568	0.3
163.02722	0.4
165.00706	0.2
170.05165	0.5
170.99670	0.3
173.02917	0.4
175.02763	0.3
177.00665	1.0
177.04128	0.2
177.05516	1.1
183.04239	0.5
187.04498	0.3
189.00641	0.5
191.02289	0.3
193.03621	0.2
201.00774	0.2
203.02255	0.2
207.06517	0.3
215.02342	0.2
216.07248	0.2
219.01750	2.0
219.05212	0.3
221.05089	0.5
229.03766	0.2
237.02794	3.5
238.03186	0.2
245.05070	0.3
247.06673	0.2
250.06622	0.2
255.03764	0.4
259.06699	0.3
260.04483	0.3
261.02802	0.5
272.12396	3.8
279.03897	2.0
279.06961	0.2
295.06821	0.3
295.33640	0.2
307.14301	0.2
315.10156	0.6
315.60358	0.4
347.06509	0.2
353.07794	0.2
374.07663	0.8
375.04919	0.2
392.08838	0.5
434.17014	0.4
435.07367	0.6
435.14127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82633	2.0
55.01870	3.5
57.03433	49.3
60.04520	3.2
61.02918	17.9
66.66315	2.0
67.39919	2.1
68.36480	2.1
69.03070	3.9
69.03422	51.1
70.67274	3.9
70.67626	5.8
71.01335	4.1
73.02913	98.3
79.05480	3.6
81.03401	8.2
85.02897	100.0
87.04457	6.4
91.03954	3.5
91.05470	5.8
95.08591	4.0
95.27518	2.3
96.04570	2.0
97.02883	76.0
99.04429	6.9
105.03386	4.7
107.08592	3.2
109.02859	6.6
109.06480	3.4
109.10137	3.0
114.05562	2.4
115.03918	65.8
118.06503	3.5
119.08655	3.7
121.10107	3.8
123.04424	19.3
126.05515	3.0
127.03909	35.0
128.04163	2.7
133.04958	18.8
133.10117	4.3
135.04379	2.2
135.11719	2.6
137.05968	3.6
137.09634	3.5
144.06535	10.6
145.04944	45.2
149.02258	3.2
150.07603	2.8
151.07498	3.4
162.07562	6.7
163.06027	19.9
180.08640	6.6
193.08615	3.8
206.10260	4.1
223.06000	9.2
236.20027	5.3
239.08739	2.9
241.07098	10.0
254.17488	4.5
254.21140	2.4
259.08014	4.9
271.06055	5.1
272.06317	12.0
272.09155	54.7
285.09705	3.1
294.11914	2.8
295.10355	4.1
348.29999	2.5
416.26196	3.7
434.14575	4.9
434.27582	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01869	0.5
57.03413	0.7
58.99569	0.4
61.02913	0.7
62.82449	0.4
67.03088	0.4
67.05493	1.2
69.03426	2.8
71.59120	0.8
73.02894	1.3
73.62282	0.5
76.02198	1.3
79.05498	0.6
81.03419	0.9
81.07042	1.1
83.04974	0.7
85.02904	6.3
91.05499	0.4
93.07039	0.5
94.73399	0.4
95.08610	4.5
96.04483	0.4
97.02886	2.5
98.03182	0.4
98.97585	0.5
99.04430	0.6
100.02176	1.4
105.07015	1.3
107.04877	0.6
108.05724	0.5
109.02872	0.7
115.03915	0.5
116.98609	0.6
122.02720	8.8
122.06017	0.8
123.04398	0.5
123.08063	6.9
127.03893	5.1
128.04260	2.0
133.10100	0.4
137.05995	0.7
138.05502	0.4
138.09102	1.2
140.06992	0.5
145.04924	1.3
146.02701	1.3
147.04410	0.6
151.07532	100.0
152.07909	2.0
166.08632	0.9
167.07053	0.5
169.43216	0.5
177.05524	0.9
177.35901	0.5
181.04973	0.4
188.03764	0.4
193.08583	0.5
207.06435	0.8
237.02635	0.5
237.07558	0.7
240.12329	0.7
248.05836	0.9
272.06525	1.1
272.09424	9.8
273.09872	0.5
284.07971	7.8
300.98312	0.4
301.44034	0.4
355.02191	0.5
415.36679	0.4
434.17145	12.3
435.13278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
55.05498	8.2
56.96563	2.5
67.05499	13.5
69.07069	17.7
70.15409	5.9
70.15816	10.6
79.05482	10.1
81.07056	32.4
83.04965	3.0
83.08617	6.8
85.06533	4.4
91.05463	11.3
93.07043	27.0
95.08035	5.0
95.08601	52.5
97.10175	3.4
97.57146	2.4
99.04430	3.7
105.07024	27.7
107.08593	59.1
109.06527	4.1
109.10158	25.3
111.08083	2.9
117.07012	5.4
119.08587	46.1
121.10143	34.5
123.08052	2.8
123.11703	11.3
127.03909	4.7
131.08554	10.5
133.10130	35.4
135.08032	3.4
135.11699	45.3
137.09589	3.7
142.36934	2.6
143.08578	5.5
145.10133	19.2
147.11688	36.3
149.09641	4.0
149.13269	12.0
151.03877	2.4
151.07472	2.5
151.11188	12.9
153.09038	4.4
157.10147	7.7
159.11697	25.9
161.13248	18.0
163.14816	10.5
163.16084	2.6
167.10732	4.2
169.10063	3.2
169.12256	4.8
171.11729	5.2
173.13297	13.9
175.14790	10.5
177.12740	6.9
177.16437	6.4
179.14331	3.5
181.12149	2.8
185.13243	5.7
187.14856	14.4
189.12788	3.3
189.16379	68.8
193.12198	4.5
195.13783	6.9
197.13208	4.7
199.14825	4.8
201.16411	19.7
203.17969	7.3
207.13800	5.7
207.17418	49.7
209.15395	5.8
215.17967	30.4
221.15358	9.6
229.19499	15.5
233.19086	7.8
235.16914	2.9
247.20457	5.0
249.18491	8.7
261.18433	2.8
271.05923	7.6
275.20114	5.0
283.05994	6.6
295.12552	2.9
313.07019	4.5
337.06915	3.0
341.24811	3.4
374.11307	3.8
379.29965	6.0
397.31021	100.0
398.31335	5.6
415.32370	34.1
433.10883	3.9
433.32950	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03938	2.4
53.78679	1.3
55.05505	10.0
57.03433	10.2
57.07066	3.5
65.03960	1.6
67.05503	45.4
69.07069	9.6
70.41449	3.3
70.41850	2.6
75.04472	1.5
79.05493	26.2
81.07055	57.3
82.07388	1.5
83.04969	1.4
83.08620	4.0
85.06529	2.7
91.05473	12.2
93.07042	29.2
95.04964	3.4
95.08600	42.3
97.06563	2.7
97.10146	1.7
98.98463	61.6
98.99116	3.1
105.07029	11.5
107.08595	29.5
109.06566	1.9
109.10150	23.1
116.99524	3.6
117.06995	5.1
119.08575	11.5
121.10149	20.1
123.08102	2.3
123.11710	9.5
128.60196	1.5
131.08582	8.5
133.10118	9.8
135.08086	1.9
135.11693	15.8
137.09544	1.8
137.13304	4.2
140.01085	1.5
145.10130	8.2
147.11632	8.1
149.13222	10.6
155.01067	9.4
159.11665	6.9
161.13257	5.9
163.14832	5.7
165.12817	1.5
167.14381	1.5
173.02086	13.7
173.13275	9.0
175.14832	3.2
177.16348	2.0
187.14833	3.8
243.21069	13.4
261.22131	49.8
271.06012	6.4
283.06052	4.2
313.07001	3.9
317.24741	6.4
335.25781	100.0
336.26221	4.4
415.22336	2.7
433.11667	2.3
433.29233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06211	0.3
52.14474	0.2
55.01860	0.5
57.03430	0.7
57.42253	0.3
58.99928	0.3
61.02915	0.8
67.33747	0.3
69.03426	2.3
69.07052	0.7
70.06589	32.5
71.04980	0.7
71.06915	0.4
71.61749	0.5
71.62107	0.4
73.02908	3.6
79.05509	0.4
81.03403	1.2
81.07055	0.8
85.02904	5.4
86.09702	9.5
91.03965	0.5
91.05458	0.4
93.07065	0.5
95.04944	0.3
96.95821	0.3
97.02895	3.2
97.06539	0.6
99.04456	0.5
103.05509	0.4
105.07028	5.3
107.08597	0.6
109.02877	1.1
109.06539	0.6
111.08072	0.6
115.03921	1.4
116.07086	100.0
117.07428	1.1
119.08579	0.5
121.02860	0.6
121.06485	0.9
123.11727	0.4
127.03901	2.3
128.10712	7.5
133.04956	1.0
135.08133	0.3
137.02394	0.4
137.05949	0.3
145.04932	2.3
147.08034	0.4
147.11697	0.9
156.10231	1.3
163.06004	1.2
165.12732	0.4
175.11281	0.3
181.05051	0.6
191.08156	1.3
193.12230	0.3
199.45926	0.3
201.05519	0.3
207.13953	0.4
211.13341	0.7
217.12253	0.9
235.13292	1.1
239.71921	0.3
241.06938	0.4
253.14301	1.4
271.06003	7.0
271.16653	1.6
272.06308	0.6
283.06064	0.9
295.10025	0.4
307.13028	0.6
313.07080	0.8
337.07214	0.6
397.09207	0.5
400.56158	0.3
403.14084	0.6
415.09888	0.5
433.09439	1.3
433.16660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.2
55.01859	8.9
55.05514	19.2
56.63046	3.3
57.03418	8.6
57.07069	3.6
61.02913	5.5
67.05501	29.9
69.03424	31.0
69.07061	27.4
69.42223	3.1
70.98803	11.1
71.04991	22.1
73.02882	3.7
79.05485	35.6
81.03426	23.3
81.07047	69.2
82.47942	4.2
83.04965	22.0
83.08601	11.6
84.04462	4.3
85.02896	31.4
85.06527	9.8
89.21413	3.2
90.08895	3.6
91.05463	25.3
93.07044	68.4
95.04965	23.2
95.08598	60.2
96.46768	3.2
97.02873	24.2
97.06524	31.7
99.04441	28.4
101.06025	3.8
105.07022	60.8
107.04949	14.8
107.08588	45.6
109.02874	26.8
109.06527	32.4
109.10159	31.4
111.04420	5.9
111.08075	26.4
113.05986	8.8
117.07024	9.0
119.04921	6.1
119.08571	37.4
121.02854	8.4
121.06487	61.4
121.10140	27.9
123.04395	13.3
123.08067	11.0
123.11718	17.6
125.05980	14.9
127.03916	32.1
127.07554	10.0
129.07005	5.3
131.08556	15.3
133.06551	7.6
133.10103	26.3
135.08029	20.4
135.11655	7.1
137.05975	26.0
137.09596	5.8
137.13237	5.0
139.07553	31.9
141.05470	4.2
142.07727	6.2
143.07056	15.4
143.08557	11.7
145.04881	5.2
145.10153	21.6
147.08031	5.9
147.11678	60.3
149.09581	6.1
149.13261	12.1
149.63564	3.5
151.07568	11.8
151.11185	8.9
152.05949	3.9
155.08525	5.9
157.08601	16.1
157.10106	26.3
159.06685	4.5
159.08128	4.0
159.11678	10.3
161.05983	14.3
161.09567	5.3
161.13231	18.7
163.11174	4.8
163.14777	3.7
165.01836	4.0
165.12747	24.3
167.07050	32.7
167.14346	16.1
169.12239	18.8
171.11717	16.1
173.05821	4.5
173.09596	7.2
173.13268	8.0
175.11171	38.4
177.09064	4.7
179.14252	4.4
181.04980	14.2
181.06453	4.7
181.08542	5.8
181.10037	6.0
185.13263	6.0
187.06010	13.6
189.09068	4.4
189.12791	22.8
190.06030	4.2
191.10590	3.9
193.12216	37.8
199.11174	24.9
201.16383	4.6
205.07060	11.3
207.13799	19.3
211.13214	34.2
213.16510	5.0
217.12241	89.1
229.14384	11.6
235.13284	87.2
236.13583	5.5
242.87798	3.8
250.06180	3.5
253.14345	100.0
271.06024	48.5
271.15405	12.2
272.06332	5.6
281.08057	5.1
283.05978	36.6
284.06558	11.9
287.05606	8.4
297.07718	6.7
309.07785	6.0
313.07056	33.8
323.08981	8.4
337.06900	11.8
359.15042	9.2
361.06674	4.0
367.08035	10.4
379.08130	6.6
397.09137	10.6
397.18341	7.6
401.13855	4.3
405.06021	5.6
415.10101	14.1
415.32202	6.4
433.09540	39.5
433.17978	5.4
434.13715	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.0
55.01851	6.2
55.05514	13.8
57.03433	13.2
57.07054	2.9
61.02924	22.4
65.03944	2.8
67.05505	26.9
69.03423	29.7
69.06720	2.2
69.07066	24.5
69.47259	17.5
71.04986	20.3
73.02911	12.1
73.06494	2.9
79.05481	20.4
81.03404	17.1
81.07055	59.4
83.04982	15.9
83.08619	10.5
85.02422	2.3
85.02905	38.1
85.06502	5.8
87.00784	3.2
87.73833	2.0
88.81282	1.9
89.82706	2.0
91.03964	12.7
91.05477	18.7
93.06464	3.0
93.07035	43.7
95.04951	16.3
95.08600	67.3
97.02897	35.0
97.06517	22.6
97.10130	3.2
99.04456	15.0
99.08064	4.8
101.02361	3.6
103.03927	4.9
105.01876	3.3
105.03371	8.8
105.07019	31.4
107.04891	6.0
107.07989	2.1
107.08594	29.0
109.02890	12.0
109.06504	17.0
109.10145	15.3
111.04434	4.2
111.08087	18.4
113.05937	2.6
115.03896	3.0
117.05438	4.0
117.06959	6.7
119.08578	27.5
121.02789	2.9
121.05793	2.5
121.06515	32.4
121.10109	13.6
123.04407	5.3
123.08036	8.4
123.11691	10.4
125.05991	12.8
125.09660	3.5
127.03906	22.0
127.07523	4.8
127.11225	2.2
129.05479	2.4
129.06996	2.2
131.08511	6.4
133.06450	2.7
133.10118	20.9
135.04362	2.6
135.08006	5.4
135.11652	6.2
137.05954	9.7
137.09583	4.2
137.13214	4.3
139.07509	13.6
142.07713	2.6
143.06987	8.0
143.08516	4.7
145.04955	5.6
145.10086	7.2
147.04401	2.2
147.08005	5.4
147.11684	29.4
149.13277	12.4
150.09061	4.7
151.11153	7.1
156.09369	2.5
157.08568	6.6
157.10066	12.2
159.06462	7.9
159.07938	2.4
159.11671	4.9
161.05966	5.5
161.13242	24.6
163.07452	2.2
165.12709	9.0
167.07019	4.8
167.13029	2.4
167.14313	31.0
169.10155	2.2
169.12222	16.1
171.11676	10.1
173.09537	3.9
173.13260	3.2
175.11137	17.2
179.14282	22.3
181.04915	4.8
181.10048	3.4
187.05959	4.8
187.07533	2.6
187.11119	2.9
189.12746	11.7
193.12248	22.1
196.00551	2.2
199.11215	10.9
205.07060	3.4
207.13727	7.1
211.13254	24.1
217.12207	43.5
218.07231	2.1
225.12680	3.3
225.14653	2.2
227.14359	2.2
229.14336	11.1
235.13260	48.3
253.14339	51.9
253.17787	5.4
271.03119	2.4
271.05896	17.8
271.15372	6.6
271.18942	36.8
283.06036	13.5
284.06631	3.1
303.06430	2.7
311.20013	3.7
313.07013	11.8
337.06961	5.6
361.06937	2.8
367.08060	3.6
379.08047	3.6
379.17355	3.2
397.08960	3.5
397.18240	7.0
405.06000	9.6
406.06476	4.1
415.10031	3.3
433.08969	100.0
433.23267	7.9
434.09201	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	433.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86130	0.2
53.03933	0.3
56.96565	0.2
57.03429	0.9
60.52125	0.3
61.02918	0.5
65.03928	0.2
65.39678	0.2
67.81786	0.2
68.99777	0.3
69.03432	1.3
69.89832	0.5
69.90184	1.6
70.06606	0.3
70.88714	0.2
71.01381	0.3
71.04993	0.3
72.08140	0.5
73.02916	2.4
79.05462	0.3
80.46905	0.3
81.03393	1.0
81.07043	0.7
83.04970	0.2
84.04444	0.3
85.02898	3.4
86.09704	0.5
87.72610	0.3
91.05453	0.3
95.04961	0.2
97.02879	1.8
98.97601	0.5
98.98479	0.3
99.04456	0.9
103.03947	0.6
105.07026	0.3
107.04894	0.2
109.02859	0.7
113.05962	0.3
115.03915	0.9
121.06458	0.4
122.06013	0.3
123.08047	0.5
125.59161	0.2
127.03909	15.6
131.04918	0.3
133.04974	0.4
137.02350	0.4
137.06024	0.6
140.07086	0.3
145.04929	1.4
147.04373	0.4
151.07544	2.2
153.05444	0.3
167.07036	0.3
177.00659	0.4
177.05478	0.7
181.04987	0.3
193.04997	0.3
221.05069	1.3
237.02647	0.3
239.07141	0.4
271.06015	3.8
301.12592	4.0
313.07098	0.4
330.77106	0.3
335.09863	0.3
433.16809	100.0
434.17245	2.9
449.13080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01852	0.6
55.05491	0.3
57.03423	1.4
58.11278	0.3
61.02901	0.4
67.05473	0.4
69.03416	2.0
69.07050	0.8
71.04968	0.5
71.59358	0.6
71.59975	0.3
73.02907	2.3
81.03399	1.5
81.07036	0.6
83.04956	2.1
85.02889	5.7
86.09681	0.7
91.03891	0.3
91.05445	0.7
95.04935	0.5
97.02869	3.1
98.97590	0.4
99.04423	1.1
103.03958	1.3
103.05470	0.3
105.03357	0.6
105.07015	0.4
107.04975	0.3
107.08558	0.5
109.02843	1.5
111.04449	0.3
115.03914	1.3
117.05483	0.3
121.02864	0.4
121.06463	1.0
123.08046	0.4
127.03899	26.6
128.04167	0.6
133.04900	0.6
137.02319	7.0
137.05981	0.5
137.09630	0.4
141.06944	0.9
145.04942	2.2
149.02312	0.3
157.06477	0.4
157.08549	0.4
158.23660	0.3
159.08051	0.5
161.02304	0.8
161.05997	0.4
163.06003	0.7
169.06505	1.3
173.05952	0.6
181.06468	0.6
183.04395	0.3
187.07423	0.6
193.04887	0.3
197.05983	2.9
200.04585	0.3
201.05476	1.1
215.06993	5.7
216.07382	0.4
225.05421	7.3
226.05782	0.4
239.12738	0.3
240.98654	0.3
243.06557	1.1
253.04933	3.5
259.08084	0.3
265.10724	0.3
271.05972	100.0
272.06317	6.5
283.05966	0.6
301.12662	0.6
313.07147	0.5
314.88135	0.3
397.09399	0.5
433.12286	0.5
433.16702	11.1
434.17068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1645
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
67.05496	2.0
69.03410	2.7
69.07047	0.9
70.60583	2.9
79.05473	1.1
81.07052	1.3
91.05472	2.3
92.86819	0.8
95.08595	2.7
103.05461	1.3
105.07005	1.8
107.08589	2.0
115.05448	2.9
117.07013	3.1
121.10152	0.8
123.04436	7.1
123.05270	1.0
128.06247	1.8
129.06976	1.0
131.04886	2.0
137.02344	1.3
141.06955	2.9
144.05675	1.0
145.06491	4.0
147.04399	1.7
149.05943	1.0
154.99831	0.8
155.04903	1.6
155.08427	1.0
157.06395	1.3
161.05971	4.3
162.06816	1.1
163.07555	1.3
165.06995	1.5
167.08530	1.9
168.05714	1.6
169.06496	1.9
169.10126	1.0
173.05978	3.3
175.03952	2.2
177.05482	1.8
178.07797	1.8
179.08585	3.1
181.06477	2.0
183.08020	1.6
184.05193	3.3
185.05997	3.2
186.06682	0.9
187.03865	2.2
187.07529	2.5
189.05414	1.2
189.09096	1.1
190.06142	1.1
191.08582	0.9
195.08069	1.5
197.05789	1.0
197.09587	1.6
199.07530	1.6
201.05530	4.4
206.07191	1.1
207.08049	3.1
209.09819	1.8
210.06776	1.5
211.07391	1.4
212.04686	2.4
213.05481	2.2
214.06227	3.8
215.08580	2.6
219.08101	1.7
225.09125	3.0
227.06985	1.3
229.10208	1.9
230.05743	6.3
231.08113	2.0
233.09558	2.1
235.07561	4.1
237.09160	1.7
239.08801	1.3
243.08195	5.1
247.07536	2.5
249.05540	2.1
249.09238	1.8
251.07121	1.4
253.08412	1.9
255.08018	1.9
255.10353	1.1
256.08890	1.1
257.09692	4.6
259.07599	3.0
260.08356	1.9
261.09094	6.0
264.07797	1.0
267.08041	1.7
268.08838	1.3
269.09799	1.3
271.07556	7.3
271.09952	1.6
272.08057	1.8
273.09073	2.3
275.07037	2.2
275.10437	1.6
277.05551	1.2
277.08365	5.7
283.06064	1.7
283.11142	2.2
284.08386	1.5
285.09015	11.1
286.09793	1.5
287.07071	4.4
288.07687	2.1
289.08551	17.2
290.09378	1.8
291.06351	1.3
294.05243	2.9
295.05756	5.4
297.09222	2.0
298.09756	1.5
299.07025	5.6
299.10550	3.5
300.07767	3.5
300.11157	1.4
301.08670	2.7
302.09119	1.6
303.06531	3.7
303.10138	5.8
305.07980	6.8
308.06870	2.9
309.09009	1.5
310.09927	2.8
311.10663	3.9
312.07608	1.3
313.08740	10.4
313.12173	2.0
314.09033	2.0
315.06500	1.6
315.10114	1.2
316.07291	2.5
317.08057	11.7
317.11551	1.7
318.05490	1.6
318.08844	4.7
318.12299	1.7
319.09753	1.8
321.07855	2.7
323.09073	6.7
325.08572	1.9
327.10129	5.1
328.10965	4.7
329.08060	2.1
329.11688	3.4
330.08780	1.1
331.05908	1.8
331.09616	15.3
331.13367	1.8
332.06769	1.5
333.07639	4.0
335.09134	50.8
336.09732	9.5
337.08597	1.0
338.09286	1.4
339.10126	4.8
340.11188	1.2
341.08090	7.6
341.11856	2.1
341.15399	1.5
342.08432	1.1
343.09656	1.7
345.07535	3.3
345.11249	2.2
346.08392	1.3
346.11957	7.0
347.08948	1.4
347.12659	1.5
348.09857	1.3
349.10718	3.4
355.09586	3.8
356.10339	4.5
357.11133	4.2
358.12030	1.2
359.09241	7.6
359.12775	8.4
362.11279	1.6
363.08554	20.5
364.08698	2.0
364.13034	29.8
365.13361	1.9
369.10977	1.5
369.14886	6.3
373.10635	3.9
374.11475	39.0
375.12033	3.3
377.13882	2.8
379.13110	1.9
382.11826	1.4
385.10654	1.0
386.11252	2.1
387.16022	7.4
391.11865	2.1
392.12454	21.9
397.14319	35.9
398.14752	2.5
400.13181	1.6
415.15262	9.6
433.16470	100.0
434.17038	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	433.1644
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
63.08259	0.7
65.21368	0.7
69.03404	1.3
71.06236	2.4
75.35748	0.8
79.82024	0.7
99.28117	0.7
105.07011	0.8
107.08558	1.0
109.84239	0.7
118.27677	0.6
119.08572	3.3
120.08907	2.1
135.08073	1.0
140.78059	0.8
149.96239	0.7
175.03864	0.8
177.05450	1.5
201.09041	0.7
202.07755	0.8
203.08646	1.4
213.06996	1.4
228.06805	0.7
228.09286	1.3
229.10149	1.2
231.08136	3.9
234.06699	1.0
239.08609	2.1
241.06410	1.8
247.11159	0.8
253.10223	1.8
255.07932	1.4
256.08835	1.1
257.09573	3.3
259.07596	11.9
262.06448	1.0
265.09943	1.1
267.07935	1.9
268.08652	0.9
269.05902	1.6
271.07657	1.9
271.11151	3.0
273.08923	0.9
275.07040	0.9
275.10611	0.8
276.07709	1.2
281.09616	3.6
282.10376	2.9
283.11221	1.5
284.08368	1.1
285.09091	4.6
286.06271	1.7
287.07007	21.7
288.07498	2.1
289.04904	2.2
289.08234	1.4
290.05563	1.4
295.07541	2.5
299.07431	1.4
299.10440	4.1
300.07870	1.5
300.11349	2.6
302.05542	0.8
303.06638	1.6
303.10132	4.5
304.07135	2.4
305.07959	6.9
307.05963	1.0
309.09109	3.0
310.09891	3.1
311.07230	0.9
311.10632	2.4
313.08640	5.7
315.06491	13.9
315.10071	1.0
316.07123	1.0
317.04474	1.3
317.08102	2.3
317.11685	0.9
318.05392	1.2
321.03876	1.1
327.10162	7.7
328.10855	9.0
330.08838	0.9
331.05969	2.3
331.09644	2.0
332.06708	5.9
333.07547	28.8
334.08176	1.3
335.05469	2.5
335.09161	1.1
337.08615	1.3
338.09259	1.2
339.10178	1.8
340.07330	0.9
341.07895	4.9
345.07407	2.3
345.11176	3.4
346.08017	0.9
346.12012	1.9
347.09125	1.1
349.06879	1.2
349.10770	10.2
350.07822	9.0
351.08554	6.6
355.09647	5.2
355.13525	0.7
356.10382	8.5
357.11063	2.3
359.09137	4.9
363.08453	1.6
369.14996	1.3
373.10706	8.2
374.11462	100.0
375.11954	5.1
391.11725	38.0
392.12308	9.4
397.14148	3.5
415.10379	1.2
415.15430	14.7
416.15558	1.1
433.16501	15.5
434.16739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.45632	0.3
54.74889	0.3
55.05498	1.0
57.03431	10.9
57.07060	0.3
59.04978	0.3
61.02918	0.5
67.05496	0.7
67.88183	0.3
68.99786	0.4
69.03417	0.8
69.07083	0.5
70.90082	1.0
71.01348	0.3
71.04986	11.8
72.62948	0.3
73.02906	5.4
75.04474	19.5
79.05485	0.7
81.03424	0.3
81.07058	1.4
83.04963	2.0
85.02896	52.3
85.06535	0.8
87.04462	1.8
93.07034	0.9
95.08600	1.0
105.07024	0.6
107.04958	0.4
107.08598	0.6
109.02909	0.3
109.10130	0.5
111.00794	0.9
111.04443	1.6
117.05480	0.3
117.06984	0.3
119.08573	0.4
121.02880	2.2
121.10152	0.5
127.03908	0.4
129.05461	5.8
133.02811	0.5
133.10130	0.6
135.11728	0.4
137.02298	0.4
145.02759	0.4
145.06456	0.3
147.04559	0.3
147.06485	3.3
147.11665	0.5
153.01820	3.3
157.06419	0.5
161.06053	0.4
165.01866	1.4
170.73108	0.3
183.02905	0.8
184.81020	0.3
185.05971	0.5
213.05525	0.9
217.15805	0.4
231.06430	0.7
235.16911	0.3
241.04913	0.7
253.09760	0.5
253.14255	0.3
253.18047	0.4
258.05255	0.9
259.05966	0.3
271.06030	2.3
271.18909	0.3
283.06003	1.0
287.05472	100.0
288.05771	2.4
313.06958	0.7
323.09146	0.4
337.06958	0.5
397.09116	0.8
415.10104	0.7
433.11224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1339
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.63592	0.2
53.03944	0.7
54.81164	0.2
57.03423	0.8
61.02899	0.4
69.03428	2.2
71.03374	0.6
71.04984	0.7
73.02901	0.9
79.32043	0.3
81.03423	3.1
83.04932	0.3
85.02419	0.5
85.02901	7.3
87.04456	0.3
97.02886	4.0
99.04442	3.7
103.03938	4.1
105.59996	0.3
109.02885	2.4
115.03928	0.4
127.03908	100.0
128.04254	0.9
137.02335	0.7
145.04948	4.4
148.08411	0.3
163.05992	1.3
183.72363	0.3
187.06010	0.9
206.35670	0.3
215.07042	0.6
221.35435	0.3
222.19937	0.2
225.05498	0.6
252.36456	0.3
253.04994	0.6
271.03024	0.5
271.05975	10.6
271.08221	0.5
283.06021	0.3
289.09338	0.3
324.46619	0.3
342.78961	0.3
397.08783	0.3
433.16885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.49125	0.5
59.98638	0.5
66.49363	0.5
67.05494	0.6
69.03431	1.0
69.50658	5.0
79.79213	0.5
81.07040	0.5
91.05453	1.2
103.05479	0.6
141.06966	0.8
157.06522	0.6
175.03886	2.0
177.05447	2.3
177.06845	0.6
181.06476	0.7
185.06006	0.6
187.03813	0.6
196.45761	0.6
199.07657	0.7
202.07782	1.4
203.08598	1.3
206.07217	1.0
213.06947	0.8
220.08957	0.6
228.09373	1.3
229.10181	1.6
231.08069	5.6
232.08826	0.7
234.06648	1.3
239.08513	2.3
241.06528	1.7
242.07195	0.6
243.02863	0.6
243.08031	1.4
243.11760	1.4
244.08792	1.1
247.07491	0.7
249.09177	0.7
251.06953	0.7
252.09590	0.8
253.10274	3.0
254.10828	1.1
255.07965	1.3
256.08780	1.7
257.06155	0.7
257.09558	2.5
258.06821	2.0
259.07529	15.5
260.08026	1.1
261.09167	0.7
262.06143	1.4
263.06870	0.6
265.10223	0.9
267.08032	2.0
269.06046	2.0
269.09131	0.7
270.06671	0.9
271.07529	2.4
271.11130	2.6
272.08228	1.2
272.11865	0.7
273.09149	1.5
274.09644	0.7
275.07169	1.1
275.10556	0.8
276.07574	1.2
277.08606	1.9
281.09610	5.0
282.10397	3.6
283.07883	0.7
283.11209	1.5
284.08261	2.1
285.08994	5.8
286.06216	3.0
286.09360	0.7
287.07013	28.8
288.07614	2.5
289.04953	2.2
289.08670	1.7
290.05774	0.9
293.09650	1.5
295.07678	2.9
297.08963	0.9
297.95569	0.6
298.06470	0.8
298.09793	1.3
299.07010	2.4
299.10687	5.5
300.07770	1.8
300.11441	4.7
301.08557	2.5
302.05658	1.1
302.09464	0.9
303.06467	3.0
303.10144	5.9
304.07224	3.9
305.08014	9.6
307.06070	0.8
308.06870	0.6
309.09210	4.1
310.04776	1.5
310.09906	4.1
311.10596	2.8
312.07895	1.8
313.08615	7.9
314.05728	1.2
314.09122	1.1
315.06497	20.2
315.10132	1.4
316.07220	2.8
317.04391	1.8
317.08084	2.7
317.11444	1.0
318.05286	2.2
319.05704	0.8
321.03873	0.9
321.07861	0.7
323.07117	1.6
325.08643	1.1
326.09268	1.3
327.06628	1.2
327.10114	11.0
328.07571	0.7
328.10898	15.7
329.08096	1.1
329.11554	1.3
330.08850	1.7
331.05859	2.2
331.09647	3.2
332.06784	9.3
333.07529	46.2
334.07867	1.6
335.05435	5.0
335.09274	1.3
337.08527	2.0
338.09332	2.1
339.10208	3.5
340.07126	1.1
340.10846	0.9
341.08136	4.9
345.08014	4.5
345.11255	4.3
346.08185	1.3
346.11887	2.3
349.06827	1.1
349.10696	13.5
350.07748	13.6
351.08612	7.9
355.09537	7.1
356.10349	10.3
357.11368	2.7
358.07950	0.8
359.09161	8.5
363.08435	3.8
363.12402	0.6
369.14938	2.6
373.10672	11.7
374.11456	100.0
375.11948	4.9
379.13092	0.8
387.15863	0.7
391.11725	40.0
392.12405	8.7
397.14380	3.4
415.15298	11.5
433.10336	1.2
433.16385	13.2
434.16492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.40531	0.6
57.03429	3.2
69.41057	5.7
71.01337	0.6
71.04993	27.1
71.09401	0.5
75.97897	0.7
83.04990	1.0
85.02903	26.7
87.04460	0.7
90.15465	0.6
91.61216	0.6
121.02856	2.4
129.04588	0.9
129.05473	7.3
129.48653	0.6
137.02280	0.9
147.06506	0.7
153.01814	2.6
162.10126	0.7
165.01811	1.9
183.02844	0.9
213.05519	0.7
226.12938	0.6
258.05115	1.2
283.06128	1.0
283.35843	0.8
287.05490	100.0
288.05713	3.0
384.47247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01873	0.4
69.36482	0.6
69.36905	1.0
91.05483	0.3
98.21528	0.3
102.08314	0.2
119.04948	1.3
121.02848	0.3
145.02878	0.5
153.01831	3.1
153.03041	0.1
163.03915	0.3
168.33681	0.2
170.82593	0.2
171.02837	0.4
225.05602	0.3
243.06618	0.2
271.06000	100.0
272.06342	2.9
283.06131	0.3
284.06604	0.2
426.07904	0.2
433.11307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Vitexin
Peak:m/z	Relative Intensity
53.13643	0.8
56.55210	0.8
64.93363	0.8
68.99783	1.0
69.03399	1.0
69.96376	3.9
76.75742	0.9
79.01841	2.0
81.03413	1.1
98.21465	1.2
109.02859	1.6
119.04931	2.6
121.02863	11.9
138.03168	0.9
145.02852	2.9
163.03877	2.7
165.01871	5.1
167.03409	1.9
183.02907	2.7
187.03922	1.6
191.03381	1.2
195.02892	2.6
213.05481	3.7
215.03328	1.0
217.04979	3.0
233.04311	1.3
241.04848	1.1
243.03116	1.3
243.06503	1.1
255.06462	5.0
256.07251	5.3
259.05948	2.4
261.03967	2.9
267.06601	3.5
270.05298	1.8
271.06027	4.0
281.08105	3.3
283.06009	100.0
284.06763	29.5
285.07538	3.0
295.06052	16.0
295.09384	1.7
297.07535	18.5
308.06805	3.6
309.07520	11.0
311.05545	3.6
313.07034	98.2
314.07416	1.3
321.07690	2.4
323.05710	1.6
323.09119	23.3
325.07022	5.2
333.07590	2.0
337.07043	29.0
343.08133	4.9
349.06946	6.3
351.08691	6.1
355.08093	2.2
361.07126	3.6
367.08112	21.0
379.08157	15.5
397.09186	30.4
415.10199	36.6
415.15720	2.1
433.11322	76.2
435.52213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.13728	0.1
53.03936	0.1
55.01874	0.2
55.57198	0.1
55.58107	0.1
57.03429	0.6
61.02913	0.2
69.03415	0.7
69.07050	0.2
69.75700	0.9
73.02911	0.7
81.03407	0.4
83.04962	0.2
85.02895	1.2
86.09695	0.3
89.03923	0.2
91.05458	0.2
95.04942	0.1
97.02897	0.9
98.97572	0.1
103.05429	0.2
105.03369	0.5
107.04933	0.2
108.93707	0.1
109.02879	0.3
115.03917	0.3
117.07010	0.1
127.03915	1.1
129.06932	0.2
131.04932	0.1
131.08583	0.2
135.04419	0.3
137.02330	7.0
137.06006	0.2
141.06952	0.8
143.08557	0.1
145.04936	0.5
145.06436	0.2
149.02322	0.3
149.09532	0.1
153.07028	0.3
155.04834	0.1
157.06474	0.3
159.08054	0.3
161.02303	0.8
167.07053	0.1
168.58305	0.1
169.06477	1.7
173.05948	0.4
175.03876	0.2
181.06528	0.8
183.04407	0.5
187.07561	1.1
189.05453	0.2
193.05005	0.2
197.05968	3.3
200.04639	0.2
200.82457	0.2
201.05498	1.2
209.05975	0.2
215.07019	6.5
224.04512	0.1
225.05458	6.7
226.05724	0.3
229.04916	0.2
237.77547	0.1
243.06609	0.9
253.04967	3.5
254.05661	0.2
271.05994	100.0
272.06339	2.1
272.09018	0.2
283.05963	0.2
313.07071	0.2
433.11462	0.3
433.16733	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03872	1.1
53.03941	1.8
55.01871	2.2
55.05504	8.1
55.97540	1.1
56.04783	1.2
56.05034	13.1
57.03435	7.0
57.07063	1.4
58.06586	6.4
60.04513	1.3
61.02912	2.9
67.05497	13.6
68.79236	1.1
69.03077	1.3
69.03432	15.3
69.07063	11.7
69.40597	8.8
69.41006	2.2
70.06583	4.7
71.01341	1.2
71.04985	9.0
72.04483	1.6
73.02922	5.6
74.06079	2.9
79.05487	8.3
81.03411	4.8
81.07054	12.6
82.06566	4.6
83.04977	5.1
83.08610	4.0
84.04539	1.2
84.08144	2.3
84.35143	1.2
84.72392	1.0
85.02898	21.9
85.06540	3.6
86.06049	3.6
86.09718	1.8
87.04477	3.4
88.04014	1.2
91.05481	13.2
93.07031	14.9
94.06561	2.6
95.01249	1.3
95.04942	8.7
95.07377	1.6
95.08605	26.0
96.04473	1.2
96.08132	6.9
97.02879	13.1
97.06534	4.4
97.10188	1.5
98.09677	7.2
99.04443	13.5
99.08107	1.7
105.07034	11.7
107.04980	1.6
107.08592	20.6
108.08089	7.3
109.02888	3.8
109.06506	10.0
109.10151	22.1
110.06027	2.7
110.09669	10.3
111.08096	4.7
112.07622	1.8
113.02362	2.2
113.06047	1.6
114.05507	2.5
115.03955	2.2
115.05489	1.2
117.07015	4.1
119.08570	18.6
120.08075	1.9
121.06487	3.0
121.10143	18.7
122.06034	1.2
122.09644	3.4
123.04431	1.3
123.08054	3.8
123.11659	3.2
124.07587	2.6
124.11200	1.4
125.09613	3.0
126.05527	2.0
127.03884	5.7
129.07037	2.7
131.05000	1.2
131.08554	8.1
133.10114	19.8
133.11087	1.7
134.09650	4.0
135.08063	7.4
135.11691	11.5
136.11192	1.8
137.05998	4.1
137.09604	15.3
137.13245	1.8
138.09152	3.7
140.07074	1.6
143.08528	1.6
144.09329	2.1
145.04985	2.7
145.08940	1.4
145.10112	4.1
147.08047	1.8
147.11667	4.3
148.11215	1.8
149.09625	1.8
149.13297	4.1
150.12784	2.1
151.11156	2.3
153.09059	5.5
157.05101	1.4
157.06480	2.5
157.10127	3.2
158.10904	2.1
159.11687	7.3
160.11256	2.5
161.09641	1.6
161.13312	3.8
162.12706	1.3
163.11191	1.6
163.14806	2.8
164.14317	1.5
165.12718	1.3
165.16376	1.7
168.06641	1.9
171.11671	1.2
173.13306	7.2
175.07538	1.7
175.14819	11.1
177.12738	3.3
178.12231	5.4
179.10675	4.2
186.07680	3.3
187.06000	2.6
189.09081	7.3
189.12758	1.4
191.14316	6.2
192.13858	2.3
192.17380	1.4
193.15880	11.5
195.13795	2.4
204.08658	13.3
208.16994	2.5
209.15402	7.4
216.17458	7.8
217.15901	4.1
222.09740	10.5
226.18024	2.2
234.18513	54.9
235.09683	7.8
235.16907	14.3
236.20024	2.6
252.19571	74.1
253.10806	4.7
253.17851	1.8
270.20642	12.6
271.06003	39.3
283.06158	2.0
313.06775	1.7
396.23621	2.5
414.19177	2.2
414.24808	53.3
432.25931	100.0
433.09903	1.3
433.26471	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3154
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
55.01870	7.1
55.05501	16.3
56.96558	6.4
67.05495	29.5
67.60502	6.0
69.07059	33.8
69.40104	47.1
69.40517	11.9
71.04990	8.3
72.85593	5.2
79.05485	19.9
81.07054	66.1
81.32866	5.4
81.65411	6.5
83.08618	13.4
85.06547	9.8
91.05435	26.9
93.07048	67.4
95.04932	8.7
95.08591	100.0
95.09155	7.6
97.02831	5.7
97.06522	6.2
97.10126	6.4
99.04451	16.2
101.05898	6.1
105.07018	34.5
107.04893	5.7
107.08579	73.5
109.06515	8.6
109.10143	61.2
111.08064	6.8
117.06998	8.2
118.83134	4.9
119.08583	67.0
121.06464	8.0
121.10130	79.3
123.08049	18.5
123.11697	21.4
131.08545	27.5
133.10126	59.6
135.08046	6.5
135.11661	60.4
137.09576	39.7
137.13191	9.4
145.10063	39.0
147.11697	39.8
149.09590	8.4
149.13257	25.3
151.11166	13.0
155.10614	6.7
157.10088	12.7
159.11662	41.2
161.09581	7.6
161.13303	32.4
163.11201	8.7
163.14807	13.6
169.10156	6.5
171.11636	7.8
173.13228	19.4
175.11180	10.3
175.14809	23.5
177.05574	5.4
177.12775	8.4
177.16393	7.1
179.10640	8.8
181.58685	6.3
185.13202	10.9
187.14833	18.2
189.12862	12.2
189.16393	35.1
191.10765	8.1
191.14308	6.2
191.17917	57.4
193.12195	19.2
195.13687	6.5
199.14857	11.9
201.16353	13.7
203.17973	13.2
205.12231	19.1
207.13840	6.4
207.17430	12.1
211.14842	8.9
213.16418	9.0
215.17905	8.5
217.19562	10.2
219.13725	7.0
225.16298	5.7
229.19553	9.9
231.21109	15.0
243.17310	6.2
257.22635	16.3
271.24274	9.1
310.39807	5.5
315.23056	5.6
349.28903	25.7
360.28928	6.1
367.29971	89.9
385.31015	80.2
395.29517	40.6
413.30649	80.0
431.10150	6.2
431.15399	11.6
431.27112	7.4
431.31750	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1487
Annotation	Stypandrol
Peak:m/z	Relative Intensity
53.55814	0.5
54.05688	0.4
67.05482	0.9
68.99793	0.7
69.24525	0.4
69.31002	0.4
69.31300	5.2
72.08169	0.6
72.75730	0.5
74.77435	0.6
79.05489	0.8
81.07051	1.1
91.05454	0.8
93.07042	1.2
94.61052	0.4
95.08588	1.7
98.98466	1.3
105.01835	0.5
105.07024	1.0
107.08586	1.2
109.10137	0.9
115.05444	0.6
119.60815	0.4
121.10120	1.2
123.04457	0.5
123.11707	0.6
133.10075	1.1
141.06985	0.8
145.10141	0.6
147.11676	0.5
159.11786	0.5
161.05977	0.9
161.13181	0.5
163.14769	0.5
169.06487	0.5
171.11699	0.8
175.03951	1.5
201.05505	0.9
223.07861	0.5
224.84407	0.5
271.07712	0.5
275.06921	0.6
283.07623	1.1
287.07028	0.9
296.98517	0.5
297.09119	1.1
301.08582	1.1
303.06488	0.7
305.08112	0.5
306.05173	1.3
306.30615	0.4
313.08585	0.8
315.06567	1.1
315.10275	0.6
316.10898	0.6
317.08051	0.6
319.06128	1.3
327.06503	1.0
328.07291	0.5
329.08099	2.8
332.06689	0.8
333.07614	0.8
334.04709	1.8
341.08096	0.6
342.05234	0.9
343.06015	1.1
343.09686	1.0
344.10358	0.5
345.07556	0.7
347.05420	0.8
347.09216	1.0
349.06790	0.8
355.09674	0.8
357.07501	1.5
359.05322	1.3
360.06262	0.9
361.06995	1.6
362.11484	1.0
369.07401	0.7
371.08856	0.5
373.06842	1.0
373.11179	0.5
375.08560	6.5
375.12662	0.8
385.14447	1.1
387.08755	2.5
389.10233	2.0
390.11002	3.2
401.10141	2.7
413.30496	1.1
431.14880	100.0
432.15317	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.6
57.03425	2.4
59.04988	12.1
66.30209	2.3
67.05499	4.2
69.03411	5.1
69.50928	17.9
81.07053	4.8
83.04957	3.2
84.08205	2.1
85.02898	10.6
85.06539	4.5
86.09692	6.3
87.03378	2.0
88.50319	2.1
91.05473	7.8
93.07041	3.9
95.04959	2.5
95.08585	7.0
96.08126	2.5
97.02905	2.7
97.06535	2.0
105.07028	25.3
107.08583	7.5
109.06516	8.8
110.06044	4.2
117.07050	2.4
117.09049	2.3
119.08582	29.8
121.10129	7.2
123.08031	5.3
123.11711	3.4
127.03872	3.2
131.08551	8.4
133.06531	4.0
137.05888	2.2
137.09601	9.6
145.10101	13.3
147.08061	2.2
147.11676	46.8
149.09604	12.1
151.07542	3.1
161.13217	2.3
163.11256	3.0
165.12706	2.8
171.11620	3.0
182.00745	1.9
189.12730	60.1
190.13208	2.5
190.15848	3.9
197.58221	1.9
207.13791	100.0
225.14680	2.1
232.16940	3.9
237.10628	2.8
250.18010	34.7
251.18553	8.4
268.18790	2.4
269.08090	3.4
299.05533	4.3
318.92978	2.2
353.06421	2.9
430.24408	3.5
431.09579	3.7
431.22440	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	430.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01875	1.3
55.05498	2.8
56.05030	1.3
57.03413	2.9
57.07060	2.1
58.06587	3.1
59.04995	1.6
60.04540	1.0
61.02902	1.3
63.04461	1.3
67.05499	7.7
69.03421	6.2
69.07058	4.1
70.06576	2.9
71.04979	1.6
71.59974	1.9
73.02917	1.7
79.05486	4.9
81.03410	3.0
81.07048	7.4
82.06578	3.2
83.04965	3.1
84.04504	2.0
84.08157	2.0
84.54812	0.9
85.02891	11.6
85.06526	4.3
86.06054	8.6
86.09692	3.5
91.05464	5.5
93.07027	10.5
94.06564	1.6
95.04956	2.3
95.08604	29.7
96.08124	2.3
97.02865	4.8
97.06521	1.8
97.19221	0.9
98.06050	1.4
98.09689	1.1
98.97581	1.9
99.04433	1.2
103.05444	1.2
105.07021	13.9
107.08582	9.9
108.08107	26.1
109.02865	1.7
109.06508	4.6
109.10139	3.6
110.06036	14.0
110.09670	1.2
111.04398	1.6
112.07597	4.3
113.06006	3.7
115.03914	1.8
117.06997	2.5
119.08577	17.4
119.10694	4.0
120.08129	1.3
121.06490	1.5
121.10136	19.9
122.09648	3.4
123.08057	14.3
123.11700	4.3
124.07558	2.2
124.11204	1.2
127.03884	1.5
131.08560	5.5
133.06459	1.0
133.10121	5.0
133.27905	1.1
134.09642	4.2
134.10544	1.2
135.07956	1.9
135.11676	5.2
136.07567	1.3
137.09573	1.6
138.09140	3.8
143.08533	2.7
145.04942	2.0
145.09085	1.4
145.10103	7.9
146.09583	2.1
147.08047	2.1
147.11685	11.3
148.11169	6.1
149.09634	13.1
149.11992	3.1
150.09119	4.1
150.12741	2.2
151.07529	3.5
152.10655	3.1
154.21097	1.1
157.10054	2.5
158.09660	1.9
158.10875	2.0
159.11702	1.5
160.11240	2.9
161.08368	3.1
161.09584	2.2
161.11992	1.8
161.13246	4.4
162.09027	1.4
162.12820	1.4
163.11140	4.9
165.12746	3.1
166.08620	2.3
167.10678	4.2
171.11620	2.2
172.11189	1.3
173.09732	1.2
173.13245	5.4
174.10411	1.2
174.12794	2.9
175.11226	2.3
176.10712	16.7
179.14333	2.2
187.14735	2.0
188.14255	1.3
189.12743	11.1
190.12222	2.1
190.15916	6.1
191.14380	2.4
192.13818	2.9
193.12280	1.7
194.11836	1.8
195.10086	2.3
204.13815	3.4
204.17482	1.5
206.10204	2.3
206.15445	1.8
207.13799	50.6
208.16968	9.1
215.14388	3.1
217.14566	1.2
222.18484	5.3
224.11269	1.5
225.14854	2.6
232.16968	20.9
233.15431	4.6
234.18460	2.1
235.15704	1.2
250.18008	100.0
251.16171	7.6
251.18678	1.9
268.15433	1.1
268.19095	4.1
334.96390	1.1
356.17194	1.9
389.58896	1.1
398.71671	1.1
412.23303	5.0
419.03580	1.0
430.24832	10.1
431.18628	1.7
431.23453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.3
55.22607	1.2
57.03434	16.0
57.07071	15.2
60.07053	1.2
61.02922	14.8
62.18522	1.1
63.04490	20.6
64.20046	1.1
65.41045	1.2
65.68211	1.2
69.03073	2.2
69.03425	26.9
70.41805	5.2
70.62019	1.3
70.99294	1.0
71.01341	4.8
71.04976	1.5
73.02914	76.0
77.61504	1.3
77.86883	1.2
81.03406	4.8
85.02903	77.8
86.09669	1.5
87.04448	5.8
91.03946	3.3
93.07062	1.9
95.08593	2.8
97.02892	57.0
99.04441	4.5
103.03928	3.4
105.07017	2.6
107.08577	3.0
108.08057	1.3
109.02872	4.4
115.03928	28.1
115.04715	2.2
119.10688	100.0
121.10133	2.3
127.03917	23.3
133.04956	42.0
145.04955	35.7
147.11691	1.8
150.07626	2.3
163.06010	15.7
166.08675	1.9
189.12692	2.0
193.04967	1.3
199.05994	1.6
207.13786	3.8
209.94208	1.2
215.12773	4.5
217.06891	2.2
223.06046	5.9
232.16911	3.2
233.15276	1.7
241.07001	7.9
244.26991	1.3
250.18051	17.6
251.14749	5.9
259.08096	15.2
277.09119	3.5
281.15942	5.0
295.10248	4.4
430.15219	2.6
430.23676	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	430.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77319	2.3
53.03940	4.2
55.01878	5.7
55.05510	8.3
57.03183	4.1
57.03437	49.2
57.07071	3.0
58.02960	3.3
58.06591	2.7
59.04988	9.0
60.04519	2.5
61.02927	16.4
67.05496	6.5
68.79858	2.1
69.03429	47.1
69.07066	16.5
69.97902	4.5
69.98313	10.0
70.06590	9.5
71.01347	6.5
71.04993	5.3
72.08162	4.8
73.02917	98.4
75.04484	2.4
76.04008	6.5
81.03416	10.1
81.07057	3.0
82.06599	3.7
83.04968	7.1
83.07350	3.2
84.04506	3.6
84.08147	3.8
85.02899	72.2
85.06540	18.4
86.09707	7.5
87.04443	4.2
88.03975	5.4
89.06069	2.5
91.03947	2.1
91.05462	5.0
93.07048	9.0
95.04980	2.9
95.08592	3.5
96.04469	2.9
97.02888	58.1
99.04446	4.7
100.07629	18.4
101.05997	7.3
102.09192	4.5
103.03947	5.1
103.07569	7.3
105.07018	3.9
107.08586	7.8
108.08093	5.0
109.02889	8.4
110.50534	2.6
111.04371	3.9
113.02416	3.0
115.03937	35.5
116.07092	7.4
118.08665	29.4
119.07086	3.1
123.04433	4.2
127.03921	19.1
131.08551	7.9
133.04951	9.9
134.01277	2.5
136.09695	100.0
137.06013	4.3
138.05457	2.2
143.03406	3.9
145.04955	18.6
145.10121	3.3
147.07822	3.4
148.05949	2.7
149.09607	3.1
157.06535	3.5
161.06059	3.2
163.05995	7.9
163.11185	3.3
166.07088	3.2
167.07068	3.8
169.84062	2.6
191.14554	2.8
201.00906	2.8
204.08743	2.4
206.11760	3.1
207.10182	3.2
209.11601	4.0
213.05499	5.7
232.13213	2.6
241.04985	4.6
241.07117	3.8
250.14403	9.3
259.08109	4.1
268.13940	7.3
268.16367	3.2
268.19110	9.2
269.04495	13.0
280.13901	10.0
294.82214	2.5
295.09717	3.0
298.14963	43.6
430.20386	54.1
431.22552	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01881	0.7
57.03436	23.9
57.07071	13.4
59.04991	2.4
60.04501	0.8
61.02921	9.1
63.04486	18.4
64.63749	0.7
66.23183	0.7
66.72735	0.7
67.05524	1.2
69.03076	1.5
69.03428	24.7
69.07059	1.1
70.06577	1.4
71.01367	4.0
71.04985	1.3
71.15904	1.5
73.02914	54.5
81.03407	3.9
83.04977	0.8
85.02903	35.0
86.09702	2.4
87.04463	4.2
90.96479	0.8
91.03966	0.9
91.05469	0.9
93.07018	1.1
95.04966	0.9
95.08589	1.2
96.08086	0.8
97.02885	39.9
98.03229	1.3
99.04452	1.7
101.09656	1.6
105.07009	2.4
107.08564	3.1
108.57761	0.8
109.02878	3.3
109.06545	1.8
109.10131	1.3
111.08054	0.9
115.03925	31.8
119.02570	0.7
119.08651	2.0
119.10689	100.0
121.02830	1.0
121.10151	1.9
123.08038	1.7
127.03915	12.8
131.08582	1.5
133.04958	9.7
133.10112	1.2
135.08151	0.8
135.11696	0.7
137.02367	1.6
137.09616	5.5
145.04945	12.9
145.10132	1.6
147.11610	1.1
149.09483	0.9
149.11963	0.7
150.07635	1.4
161.13286	2.1
163.03918	1.8
163.05994	5.1
165.01855	2.6
171.11768	0.9
179.03258	0.9
183.02896	2.1
187.11121	1.0
189.12720	2.2
191.14378	0.8
204.08740	0.9
207.13858	1.7
220.16919	2.2
223.06096	2.2
232.16949	2.4
241.07037	5.9
250.14270	1.2
250.18053	6.2
251.14934	1.7
259.08167	3.3
268.19284	1.2
281.15878	3.9
287.05472	1.6
295.10303	4.2
297.07614	3.2
299.05469	27.5
311.05548	2.2
313.07050	1.0
321.07391	1.1
323.05331	1.1
325.07071	9.1
329.06622	0.8
339.08676	4.3
353.06519	12.3
365.06479	3.4
377.06555	2.8
383.07687	6.8
395.07562	6.8
412.23145	1.2
413.08673	7.8
430.10953	1.9
430.24930	3.7
431.09564	6.9
431.22568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.86293	0.4
55.05514	3.9
57.03431	0.4
57.07074	19.0
65.03947	0.4
67.05505	6.4
69.03407	0.4
69.06763	0.4
69.07071	4.7
70.86670	1.1
70.87026	0.4
71.08631	12.1
79.05462	1.9
81.07056	8.5
83.04954	1.1
83.08602	2.4
85.10181	5.7
91.05464	2.4
93.07028	3.0
95.08599	7.6
95.44084	0.3
97.10150	1.4
105.07029	2.3
107.08594	7.7
109.06533	0.5
109.10159	8.1
111.04438	1.0
111.11727	0.9
115.05457	0.6
117.02365	0.4
117.06996	0.8
119.08578	5.4
121.06493	2.4
121.10146	4.2
122.07275	1.3
123.08035	1.5
123.11712	1.1
125.06002	0.9
128.06175	0.4
129.06990	0.9
130.07747	0.9
131.08580	3.1
133.10107	2.0
135.08047	6.9
135.11694	2.9
136.08835	2.0
137.05989	0.6
137.09607	15.2
137.13234	0.6
139.07513	2.3
143.08575	0.6
144.09308	0.7
145.10135	2.9
147.08026	0.5
147.11697	0.8
149.09618	16.5
149.13228	1.0
150.09932	0.6
151.07524	1.5
157.10156	0.6
158.10919	0.8
159.08041	1.2
159.11679	3.8
160.08878	0.9
161.05992	0.4
161.09554	1.1
162.06755	1.0
162.64954	0.5
163.11179	19.2
164.08348	4.4
164.11453	0.5
165.09109	100.0
166.09433	2.2
171.11713	0.5
172.08865	0.8
173.09624	2.5
173.13223	2.4
175.07552	1.1
175.11174	4.7
176.08334	2.7
177.09103	12.0
177.12663	2.2
179.10716	1.4
186.10406	1.0
187.11232	2.7
187.14725	0.7
188.11696	0.5
189.09103	1.1
189.12680	1.9
190.09897	1.6
191.10669	10.1
191.12320	0.8
191.14261	0.6
200.11922	0.7
200.91818	0.4
201.12718	2.3
203.10571	2.1
203.14352	0.8
204.11435	1.1
205.12236	9.1
215.14268	0.8
219.13773	3.8
233.15405	2.2
243.17422	0.6
247.16968	1.2
261.18689	0.6
275.20117	0.9
278.61920	0.4
289.21716	1.3
303.23221	1.3
317.24805	0.7
319.10284	0.4
331.26276	0.9
336.56149	0.4
359.29459	0.9
373.30981	0.9
383.36636	0.6
401.34113	1.3
411.36102	1.7
429.37268	38.7
430.37976	8.3
449.70856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.89298	0.6
55.05500	1.9
57.07076	14.8
64.33631	0.7
67.05486	3.3
69.07063	3.5
70.98341	1.6
71.08294	0.7
71.08634	9.7
71.67511	0.6
77.76408	0.6
79.05468	1.6
81.07052	5.8
83.08604	2.9
85.10176	5.4
91.05471	1.9
93.07019	1.8
95.08600	6.4
97.10155	2.6
98.07126	0.7
100.09406	0.7
105.07018	2.1
107.08588	4.5
109.10144	6.2
111.04393	1.0
111.11720	0.8
115.75691	0.6
119.08570	2.1
121.10136	2.8
121.76643	0.6
122.07278	0.8
123.07998	1.0
123.11691	1.3
131.08562	1.7
133.10155	1.6
135.08034	3.9
135.11684	1.6
137.09615	8.3
139.07520	1.8
139.64799	0.6
143.08636	0.7
145.10101	2.0
147.11736	0.7
149.09613	13.6
151.07513	1.1
159.11674	2.3
161.09601	0.7
162.06738	0.7
163.11177	19.1
164.08328	1.1
164.11584	0.7
165.09108	100.0
166.09512	1.9
173.09627	2.5
173.13254	1.5
175.11160	5.5
176.08304	1.8
177.09123	10.2
177.12723	2.6
179.10637	1.5
186.10316	0.7
187.11147	3.4
189.09157	1.3
189.12706	2.5
190.09836	0.8
191.10681	11.4
191.14308	1.2
199.11189	0.8
201.12738	3.0
203.10678	2.3
203.14294	1.6
204.11349	1.2
205.12230	11.0
215.14294	1.9
219.13855	5.6
233.15340	3.0
247.16852	1.8
253.17258	0.7
261.18573	1.2
275.20029	1.6
289.21524	2.2
303.23132	1.7
317.24728	1.6
331.26129	1.0
373.31149	1.3
383.36475	0.9
401.34296	3.8
411.36218	2.6
429.37262	68.2
430.37735	3.6
447.70895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92636	1.0
53.03948	1.4
55.05502	3.7
57.03426	4.9
57.07056	1.4
67.05495	9.2
69.03416	1.4
69.07064	5.7
69.56893	7.1
71.08627	1.1
74.87278	0.9
79.05495	8.6
81.03381	1.2
81.07051	17.1
83.04998	1.2
83.08603	3.2
91.05444	4.7
93.07038	14.6
95.04962	2.1
95.08603	18.4
97.06528	2.7
97.10160	1.3
98.20525	0.8
101.16139	0.9
105.07028	6.2
107.08598	13.0
109.10144	10.4
111.08074	1.9
112.59062	1.0
113.00007	98.9
117.07027	1.9
119.08568	12.9
121.10150	9.1
123.08073	1.5
123.11694	3.7
126.11497	0.8
131.01012	1.4
131.08560	4.8
133.10124	7.0
135.11679	12.6
137.13226	2.1
145.10123	3.9
147.11676	5.3
149.02298	1.2
149.09583	2.2
149.13231	5.8
159.11673	3.9
161.13237	3.1
163.14801	4.4
165.12846	1.1
166.47391	0.8
169.02602	100.0
173.13234	2.9
175.14774	1.3
177.16365	2.0
187.14827	2.1
189.16370	11.2
191.14381	1.0
191.61310	1.0
193.04851	1.2
201.16364	1.3
205.15872	1.3
205.19388	1.2
207.17416	19.3
211.13293	1.2
213.16325	0.9
217.15767	1.0
233.22552	1.7
243.21088	8.4
261.22110	22.5
291.23108	4.5
318.63538	1.0
328.95691	1.0
411.28760	1.3
411.36429	2.4
429.11832	1.2
429.24411	2.0
429.29596	1.9
429.37680	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	429.2121
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	11.6
55.01870	5.7
55.05511	10.9
57.03438	25.9
61.02913	1.8
65.03950	2.9
67.05163	2.3
67.05505	34.5
69.03430	33.1
69.07062	16.4
71.01353	3.2
71.04983	10.0
73.02914	2.8
79.05494	24.6
81.03418	100.0
81.07056	89.3
82.03762	1.1
82.07426	1.4
83.04986	9.7
83.08617	6.7
84.11252	1.0
85.02904	23.2
85.06551	6.1
91.05474	33.1
93.07051	19.6
95.04967	8.2
95.08607	30.0
97.02890	15.0
97.06528	9.0
97.10134	1.2
99.04453	14.5
99.08120	6.7
101.02398	2.8
101.06008	1.9
103.03942	23.8
105.07028	49.4
107.04980	3.8
107.08606	14.8
109.02879	49.5
109.06519	7.8
109.10176	4.9
111.04426	2.5
111.08066	2.2
113.06001	3.2
115.05434	2.0
117.07054	3.0
119.08576	34.0
121.06497	1.6
121.10142	23.5
123.08061	6.8
123.11705	26.5
127.03921	30.3
127.07513	3.2
129.06972	2.9
131.04982	1.3
131.08553	3.1
133.10133	6.9
136.15051	1.1
137.05981	10.8
137.09628	1.7
137.13300	3.3
141.09161	2.6
143.08586	1.5
145.04979	2.7
145.10138	4.2
147.04489	1.3
147.08032	2.3
147.11688	84.3
148.12032	1.5
149.09622	2.4
151.07544	4.2
151.11150	1.5
155.07011	1.7
157.10133	5.0
159.06659	1.3
163.11201	4.2
165.05455	1.9
165.09169	2.5
165.12759	48.7
166.13214	1.3
167.07170	2.6
171.06563	1.3
173.09668	2.0
175.11211	6.1
179.07036	2.6
183.06535	18.9
183.08009	1.4
183.13799	5.7
189.12823	1.7
191.10783	1.6
193.08546	1.2
193.12270	7.1
201.05672	1.2
201.07600	4.9
211.13406	2.0
221.01476	1.3
229.14375	17.8
253.14157	1.5
267.15921	50.6
273.14899	2.5
285.16968	28.5
291.16211	1.4
309.17023	3.5
313.16443	15.4
325.75073	1.4
327.18076	2.4
337.16446	15.0
351.18082	2.0
355.17618	5.3
393.19147	8.8
411.14825	1.8
411.20169	20.2
429.21213	40.3
429.29977	1.5
430.21725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03426	0.4
63.51638	0.3
69.03425	0.5
69.93788	0.3
70.06599	0.7
70.42790	0.3
70.48917	0.3
70.88843	0.6
70.89201	0.9
71.04998	0.9
73.02905	1.2
76.92603	0.3
77.96928	0.3
79.30573	0.3
81.03374	0.4
85.02911	1.4
91.05798	0.6
97.02891	0.9
98.97578	0.4
99.08073	1.1
99.12624	0.4
100.08454	0.6
101.91129	0.3
103.76969	0.3
107.04881	0.3
115.03909	0.7
117.09133	3.5
118.09464	1.4
178.94872	0.3
203.05296	2.7
226.07487	0.4
239.79276	0.4
249.14668	0.5
267.15704	0.5
309.15613	0.6
427.89981	0.4
429.20978	100.0
430.16626	0.5
430.21378	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	429.2118
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.73619	1.2
53.03949	9.2
55.01866	5.7
55.05510	10.3
57.03436	18.7
61.02905	2.4
65.03955	2.1
67.05163	2.7
67.05502	38.1
69.03427	27.4
69.07063	20.4
69.54296	13.9
71.01337	3.0
71.04988	11.7
73.02914	2.9
73.20567	1.5
79.05488	30.2
81.03413	86.7
81.07052	100.0
83.04972	12.5
83.08617	5.8
85.02898	36.2
85.06530	5.7
87.00836	4.4
87.04469	1.9
91.05459	37.0
93.07031	24.5
95.04999	7.8
95.08599	33.8
97.02891	17.8
97.06498	10.2
99.04459	12.9
99.08083	4.3
103.03939	18.1
105.01820	1.9
105.07027	50.4
107.04971	3.5
107.08590	19.6
109.02874	48.6
109.06515	10.2
109.10156	10.9
111.04424	2.6
111.08050	3.8
113.05943	3.0
117.07045	2.0
119.07777	2.9
119.08577	38.3
121.06521	2.0
121.10143	25.5
121.10995	1.7
123.08063	6.1
123.11713	28.1
127.03911	38.2
127.04799	2.8
127.07573	3.2
128.78893	1.5
129.06987	4.6
131.08583	3.8
133.06560	1.8
133.10117	6.6
135.11638	2.7
137.05962	13.8
137.09584	2.6
137.13263	3.6
145.04945	6.1
145.06403	1.5
145.10126	4.2
146.99652	1.6
147.04391	2.0
147.08051	1.7
147.11678	92.6
148.11899	2.4
149.05942	1.9
149.09642	3.9
149.13257	2.2
151.07552	6.3
153.05626	1.9
155.08595	1.6
157.10127	6.9
159.02971	2.7
159.06520	2.7
159.11632	2.5
163.11188	5.4
165.09157	3.8
165.12744	47.0
167.06972	2.0
169.12172	2.0
175.11174	8.6
177.09145	1.7
179.07028	3.9
183.06529	14.6
183.13797	7.5
189.09015	2.4
191.07042	1.7
191.10629	3.5
193.12238	9.0
201.07603	2.9
211.13293	4.2
215.05490	1.7
229.14299	19.4
231.13928	2.3
249.14935	1.8
267.15894	34.5
273.14801	1.6
285.16928	19.6
287.44482	1.5
309.17114	1.9
313.16525	8.7
327.17947	2.4
337.16312	9.9
355.17468	5.3
384.96097	1.5
393.19067	4.8
411.20255	14.3
429.15155	46.5
429.21075	79.5
430.15509	3.5
430.21109	1.6
438.86865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05480	3.2
56.96562	26.6
59.05002	3.1
66.73195	2.3
67.05476	4.5
69.03394	7.8
69.07055	6.5
70.06569	6.9
71.33130	2.8
71.60465	3.4
79.05477	2.9
81.07026	6.0
83.04963	3.4
84.96029	2.5
85.02898	11.8
86.09669	3.4
87.04413	2.6
91.05425	4.4
91.05845	2.9
93.07030	4.1
95.08583	6.2
97.02872	2.5
98.97581	25.9
99.04440	3.2
101.80601	2.2
105.06963	3.7
107.04889	3.3
107.08568	7.6
109.02895	2.8
109.06497	5.0
109.10149	5.9
115.00642	2.6
116.98627	18.6
119.08560	6.8
121.06531	3.2
124.97070	2.4
127.03816	3.0
131.08638	2.3
133.10112	3.8
134.78435	2.6
134.99623	8.8
135.08061	2.5
137.05853	3.4
137.09579	3.5
138.09117	3.6
155.85905	2.7
158.99637	4.1
159.11591	2.5
164.08322	3.4
166.08638	5.2
167.05496	3.4
171.03249	8.0
173.13211	4.4
175.14835	2.9
177.00653	9.6
182.09406	3.4
189.04337	26.8
203.05756	5.1
203.10229	2.6
207.05357	14.0
211.06305	10.8
221.06920	3.1
229.07491	5.6
249.11520	6.2
250.17960	7.5
267.09796	3.5
267.12585	31.9
285.13727	79.9
303.14783	17.3
308.15417	2.9
309.10199	5.0
309.13705	71.9
310.14017	3.4
327.14749	67.6
350.16260	7.8
351.08240	3.0
369.15744	5.2
381.08368	3.5
411.09506	3.1
411.19815	7.1
429.18747	100.0
430.19077	3.9
430.24384	4.9
447.19040	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
56.96540	2.8
57.03428	4.3
60.04507	6.0
61.02908	5.6
69.03431	17.5
69.73848	2.0
70.02940	9.1
70.06556	2.2
71.61549	2.4
71.88735	1.9
73.02898	5.7
73.04755	2.7
81.03413	8.7
85.02898	40.4
85.03397	1.9
87.04446	3.2
88.03984	41.5
91.05786	16.2
97.02882	16.5
99.00787	4.7
99.04436	2.5
109.02881	3.5
110.06033	99.5
122.16171	2.4
124.56825	2.0
127.03890	9.1
130.05020	12.6
134.06062	2.4
134.99541	2.4
136.03915	7.4
145.04944	4.1
152.07030	2.7
158.04483	29.8
161.03055	2.0
162.05498	61.6
166.04991	5.0
167.05528	7.2
172.03909	2.5
179.08191	3.6
190.04961	52.0
190.06528	3.8
202.04839	2.4
207.07547	2.2
208.06032	24.0
225.06372	2.1
225.08557	3.5
237.02786	2.2
249.08704	20.2
267.09738	59.6
272.11325	3.1
342.99911	2.5
359.02896	10.3
429.09280	4.1
429.15051	17.8
429.20898	100.0
430.16727	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	428.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09372	1.9
53.03948	3.3
55.01850	4.5
55.05497	10.1
57.03431	33.8
59.04994	5.4
61.02927	14.5
69.03425	42.1
69.07067	5.0
69.35809	17.8
69.36230	5.2
70.06582	3.3
71.01328	5.9
71.04985	10.3
73.02908	62.7
79.05472	3.2
81.03411	15.0
81.07047	14.0
83.04983	2.4
83.08616	7.3
85.02895	100.0
87.00838	4.8
87.04469	4.3
87.08087	6.0
88.03965	2.7
91.03966	5.7
91.05459	2.2
92.92053	2.2
93.07028	2.8
95.08585	3.5
97.02878	56.6
97.06523	3.2
99.04390	5.0
99.08085	30.6
105.01853	8.6
105.07009	4.0
107.07050	3.1
109.02853	14.1
111.08028	3.3
115.03920	46.0
116.10792	2.9
117.09126	16.9
119.04961	2.3
120.27935	2.2
121.02860	6.5
121.10146	2.4
123.08100	3.2
124.07601	2.6
127.03899	37.8
133.04958	14.6
134.11742	6.5
135.04378	2.2
135.08093	2.2
145.04939	45.9
153.05402	3.0
163.06047	17.9
163.13281	6.1
169.12088	2.4
180.08618	2.5
204.08626	3.0
223.06119	4.6
231.05013	5.4
237.02757	3.2
241.06885	4.7
248.16527	3.4
259.08154	6.1
263.14853	6.7
266.13647	4.2
289.56039	2.1
295.05936	4.6
295.10175	8.4
296.06445	4.6
308.06311	5.3
309.07104	3.8
325.07074	3.2
326.07391	9.8
338.07312	9.1
352.09015	5.3
368.08725	2.8
370.09152	2.8
379.12363	3.1
380.08548	13.6
392.08527	10.1
410.09415	20.9
428.10605	23.4
428.20749	7.5
429.16287	2.9
429.21014	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	429.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
56.96553	0.5
57.17561	0.3
61.02898	0.4
67.05508	1.7
69.03406	0.7
71.49215	0.6
79.05459	0.3
81.03414	0.3
85.02902	1.3
89.99783	0.3
91.05056	0.3
91.05790	0.7
94.06561	6.0
97.02883	0.9
98.97577	1.3
100.03963	1.2
101.02290	0.3
106.06535	2.3
112.08672	0.3
116.98621	1.1
117.63699	0.2
117.64700	0.2
118.05012	1.1
119.01885	0.3
119.91985	0.2
120.17101	0.2
122.06022	4.7
126.10236	0.4
127.03832	0.3
128.07062	0.6
128.98584	0.3
134.99651	0.6
142.08623	0.5
143.01924	0.3
150.05493	100.0
151.05879	1.5
158.99641	0.6
161.03206	0.3
167.05466	0.4
168.06551	2.9
177.00671	0.7
206.21249	0.3
219.01772	0.6
229.71730	0.3
237.02888	0.8
267.09738	23.8
268.10138	0.5
345.40216	0.3
359.02966	0.4
415.19815	0.3
429.13770	5.6
429.20383	0.7
429.63831	0.4
438.30060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39610	2.4
53.10942	3.0
55.05497	6.9
57.01699	2.8
57.03435	35.7
57.32828	2.6
59.04976	5.3
61.02927	17.6
65.68421	3.1
69.03127	3.4
69.03431	42.9
69.07076	3.6
70.03440	12.7
71.01339	3.7
71.04986	10.9
73.02917	69.3
76.43901	2.7
79.05464	4.9
81.03384	6.8
81.07055	19.0
82.93484	2.8
83.08602	6.4
85.02903	100.0
87.08091	8.7
91.03924	5.8
93.07002	3.0
95.08722	2.8
97.02894	59.9
98.21394	4.6
99.04456	7.6
99.08086	36.1
105.01863	4.1
109.02850	7.0
111.28809	2.9
115.03931	43.1
117.09128	15.7
121.02840	5.7
127.03905	25.8
133.04948	17.7
134.11774	7.2
139.07460	3.5
145.04976	42.3
163.06009	21.2
178.84010	2.8
193.04961	3.4
196.83578	2.7
217.07150	3.0
223.05995	3.6
233.35037	2.5
241.07050	7.1
245.13728	3.9
253.74620	2.6
259.08072	2.9
263.14874	6.4
295.10162	7.8
296.06454	3.3
308.06442	5.9
326.07330	5.9
338.07355	3.9
352.08984	4.5
359.03024	3.8
370.09064	3.4
380.08643	7.0
392.08322	7.6
410.09644	17.2
428.10632	21.8
428.20383	4.0
429.10980	3.1
429.20810	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	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05504	0.7
57.03432	11.0
60.04523	0.9
61.02921	3.5
64.48888	0.4
69.03426	8.3
69.33202	4.6
70.06578	0.7
71.01341	1.3
71.04988	24.8
73.02914	21.2
81.03415	1.6
81.07056	1.9
83.04958	0.4
85.02901	13.2
86.09714	0.4
87.04464	1.7
91.03928	0.5
93.07032	0.4
93.61957	0.4
95.04957	0.4
97.02889	13.3
98.21536	0.9
98.58269	0.4
98.97589	0.6
99.04453	0.7
99.08089	28.9
108.26299	0.4
109.02872	1.3
115.03159	0.6
115.03930	9.6
116.98647	0.7
117.09123	100.0
118.09445	0.5
119.04921	0.5
123.04470	0.5
124.04797	0.4
127.03904	4.0
133.04961	3.3
134.06351	2.4
136.07605	1.2
145.04979	3.6
150.07712	1.3
163.05991	1.0
165.05544	0.5
167.06956	0.4
182.08150	1.5
199.05946	0.4
208.08997	0.5
219.01756	0.6
223.06065	1.1
225.07114	0.6
241.07115	1.7
243.08549	1.1
244.39919	0.4
248.12952	0.5
259.08228	1.6
266.13882	1.3
287.07202	0.5
295.10425	0.9
428.19675	1.7
429.16318	0.6
429.21255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05501	0.6
56.96545	0.5
57.03431	9.2
58.03672	0.4
59.04987	0.5
60.04517	3.0
61.02918	3.4
69.03069	0.7
69.03422	9.2
69.07043	1.1
70.06586	0.5
70.39314	1.4
71.01330	1.4
71.04986	20.9
72.08160	0.6
73.02908	24.3
74.61109	0.4
81.03397	1.6
81.07060	2.0
82.46641	0.4
85.02894	16.7
85.06489	0.4
87.04461	1.0
91.03934	0.8
91.05789	0.7
97.02880	15.0
98.97572	0.8
99.04421	1.2
99.08082	29.0
101.19566	0.5
103.03955	0.7
109.02869	1.7
111.04387	0.5
115.03921	10.0
116.98566	0.5
117.09116	100.0
118.09475	1.3
120.51745	0.3
122.06067	0.7
127.03893	5.3
127.08863	0.4
133.04941	5.4
133.06491	0.6
133.10042	0.4
134.06351	2.7
136.07587	0.7
137.05930	0.6
141.57008	0.4
145.04947	6.7
150.07697	1.7
154.08620	0.5
163.03926	0.5
163.06027	2.6
167.07034	0.4
177.05486	0.6
223.05957	1.9
226.07921	0.7
241.07001	2.3
242.08102	0.7
243.08537	0.8
248.12712	0.4
249.13330	0.6
259.08041	2.4
266.13696	0.8
266.16275	0.8
277.09164	0.4
295.10330	1.6
296.11661	0.5
318.09167	0.5
407.69553	0.4
428.21085	2.0
429.21002	12.0
445.01917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3933
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.12376	2.4
51.84397	2.2
54.38920	2.0
55.05510	11.0
57.07070	7.2
58.89529	2.1
59.48872	2.1
67.05498	20.6
69.07061	18.6
69.67434	15.2
69.67844	4.6
71.08636	2.7
76.41099	2.5
79.05495	6.9
81.07056	56.2
83.08617	11.8
91.05493	3.8
93.07058	18.7
95.08604	100.0
97.10178	5.4
98.20683	3.0
99.08139	2.8
102.06276	2.2
105.07012	7.2
107.08581	26.0
109.10159	77.5
109.10904	3.8
111.11719	7.0
119.08594	10.0
121.10160	31.1
123.11704	29.9
133.10182	12.3
135.11676	23.0
137.12195	2.5
137.13252	44.7
145.10138	5.9
147.11684	8.1
149.13237	14.8
151.14787	4.0
161.13298	12.2
163.14818	10.6
175.14751	3.6
177.16399	8.5
179.14223	4.7
179.17924	3.9
187.14764	2.9
189.16403	13.8
191.17963	15.1
203.17963	7.3
205.19495	12.5
215.17987	5.6
217.19508	6.2
219.21107	5.8
229.19496	6.2
231.21129	3.2
241.63005	2.2
259.24185	5.3
291.55942	2.7
409.31146	4.3
409.38373	22.4
427.31836	6.9
427.39767	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	427.3205
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
53.03939	0.7
55.01861	0.9
55.05491	2.0
57.07060	2.7
58.37212	0.5
67.05505	4.5
69.03425	1.9
69.07063	8.6
69.54480	1.2
69.54881	4.1
71.04970	0.7
71.08608	0.6
79.05486	1.9
81.07051	6.0
83.04982	0.5
83.08591	3.1
91.05469	3.0
91.75762	0.6
93.07029	3.8
95.04951	2.3
95.08591	13.1
95.95916	0.6
97.06535	1.0
97.10176	1.5
105.06416	0.8
105.07024	4.9
107.08577	12.9
109.06512	1.9
109.10146	7.3
111.08080	0.8
111.11733	1.0
119.08568	7.0
121.06484	1.9
121.10124	7.0
123.08038	1.3
123.11691	4.5
125.13265	1.6
131.08559	1.8
133.06480	0.8
133.10114	5.0
135.08029	5.3
135.11681	6.5
137.09576	0.7
137.13278	3.6
143.08554	2.0
145.10126	3.8
147.08066	1.9
147.11644	3.1
148.08740	1.1
149.09608	1.6
149.13242	3.5
151.11153	0.7
155.08574	0.7
156.09410	0.8
157.10110	2.9
159.08076	1.7
159.11674	6.1
161.09616	5.8
161.13275	2.2
163.11211	1.1
163.14822	0.9
168.09309	0.8
169.10117	1.4
171.11690	2.0
173.09634	5.2
173.13187	3.4
175.11183	5.8
175.14798	1.2
177.12743	1.6
181.12350	0.6
183.11707	1.6
184.12563	0.6
185.13281	1.7
187.11169	17.2
187.14781	1.1
189.12729	1.4
189.16356	2.0
191.17946	1.2
197.13176	0.7
199.14908	1.1
201.12738	7.5
201.16359	1.2
202.13272	0.8
203.14290	1.8
211.14851	1.1
213.12767	0.7
213.16324	1.8
215.14293	3.8
215.17937	1.3
217.15915	1.4
225.16367	2.8
227.14221	0.7
227.17834	0.7
229.15892	2.0
230.24806	0.6
231.17506	1.0
233.18973	1.2
243.17421	13.2
243.21045	0.9
257.18903	1.5
259.20517	1.9
269.19162	0.8
271.16913	2.2
285.22034	1.1
289.17831	4.3
297.22183	3.0
297.25327	0.7
309.25723	0.8
310.26495	1.6
311.23682	7.9
311.27087	1.1
312.23926	0.8
325.25250	5.2
339.26776	11.6
339.30511	1.0
340.27573	17.2
353.28372	6.0
353.32135	0.9
367.29651	0.9
381.31479	54.8
382.31662	3.5
391.29947	0.7
409.30878	7.3
427.32031	100.0
428.32474	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	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01857	2.8
55.05264	1.2
55.05510	15.9
55.65245	1.0
57.03424	4.4
59.04992	4.3
61.02923	5.8
67.05490	3.9
69.03428	19.2
69.07064	8.8
70.06573	0.9
71.01318	1.3
71.04989	3.9
71.58615	1.7
73.02909	2.3
79.05485	5.8
81.03415	6.9
81.07051	9.2
83.04972	21.5
83.08616	2.0
83.82166	1.1
85.02900	39.9
85.06518	1.7
87.04443	2.6
91.03941	1.8
91.05492	8.2
93.07040	8.6
95.01338	1.3
95.04964	24.3
95.08598	8.0
97.02892	13.7
97.06538	2.1
99.04431	3.0
101.06021	12.1
105.07024	11.3
107.04938	3.7
107.08590	14.6
109.02874	4.5
109.06524	11.5
109.10149	8.6
111.04485	2.3
115.05460	1.6
117.07029	2.4
119.04927	2.2
119.08579	7.6
121.06469	6.2
121.10120	7.3
123.08041	1.3
123.11681	4.6
125.05972	1.9
127.03925	8.8
129.07007	1.6
131.08577	8.3
133.06448	1.2
133.10106	4.7
135.08049	22.2
135.11700	7.0
137.05968	4.3
137.09598	1.8
143.08560	2.4
145.04921	4.7
145.10114	10.9
147.08029	1.6
147.11670	7.2
149.05946	2.2
149.09592	3.0
151.07533	3.0
151.11029	1.2
155.08476	1.4
159.08032	4.2
159.11719	6.0
160.08801	1.4
161.05940	1.5
161.09631	3.7
161.13235	3.0
163.07520	7.1
163.11166	9.1
163.14822	1.4
165.09152	2.6
165.12752	54.7
166.13068	1.2
167.07028	6.5
167.08345	2.0
169.10222	1.6
171.11655	2.6
173.09663	4.9
173.13237	1.4
175.07544	1.0
175.14932	1.5
177.05542	2.5
177.09097	6.7
177.16441	1.6
185.13260	1.5
187.11205	7.3
187.14801	3.6
189.09137	1.8
189.12759	4.5
191.07019	1.7
191.10641	6.7
195.10095	1.1
198.06825	2.1
199.07475	1.2
201.12773	1.2
203.12584	1.5
203.14246	1.3
205.12257	3.8
205.15839	6.3
211.14903	1.3
213.09091	2.1
215.10655	3.1
217.15863	1.4
219.13795	2.9
225.09128	1.5
229.12346	1.2
229.15852	3.5
233.11891	1.1
243.10243	1.3
247.13199	1.9
247.16922	34.9
248.17197	1.3
251.12685	1.3
265.14368	53.5
265.17981	100.0
266.14560	1.3
266.18317	2.9
297.15356	1.0
384.15622	3.4
409.16827	1.7
409.22095	2.1
427.17780	13.1
427.23239	12.1
428.17831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01857	2.8
55.05264	1.2
55.05510	15.9
55.65245	1.0
57.03424	4.4
59.04992	4.3
61.02923	5.8
67.05490	3.9
69.03428	19.2
69.07064	8.8
70.06573	0.9
71.01318	1.3
71.04989	3.9
71.58615	1.7
73.02909	2.3
79.05485	5.8
81.03415	6.9
81.07051	9.2
83.04972	21.5
83.08616	2.0
83.82166	1.1
85.02900	39.9
85.06518	1.7
87.04443	2.6
91.03941	1.8
91.05492	8.2
93.07040	8.6
95.01338	1.3
95.04964	24.3
95.08598	8.0
97.02892	13.7
97.06538	2.1
99.04431	3.0
101.06021	12.1
105.07024	11.3
107.04938	3.7
107.08590	14.6
109.02874	4.5
109.06524	11.5
109.10149	8.6
111.04485	2.3
115.05460	1.6
117.07029	2.4
119.04927	2.2
119.08579	7.6
121.06469	6.2
121.10120	7.3
123.08041	1.3
123.11681	4.6
125.05972	1.9
127.03925	8.8
129.07007	1.6
131.08577	8.3
133.06448	1.2
133.10106	4.7
135.08049	22.2
135.11700	7.0
137.05968	4.3
137.09598	1.8
143.08560	2.4
145.04921	4.7
145.10114	10.9
147.08029	1.6
147.11670	7.2
149.05946	2.2
149.09592	3.0
151.07533	3.0
151.11029	1.2
155.08476	1.4
159.08032	4.2
159.11719	6.0
160.08801	1.4
161.05940	1.5
161.09631	3.7
161.13235	3.0
163.07520	7.1
163.11166	9.1
163.14822	1.4
165.09152	2.6
165.12752	54.7
166.13068	1.2
167.07028	6.5
167.08345	2.0
169.10222	1.6
171.11655	2.6
173.09663	4.9
173.13237	1.4
175.07544	1.0
175.14932	1.5
177.05542	2.5
177.09097	6.7
177.16441	1.6
185.13260	1.5
187.11205	7.3
187.14801	3.6
189.09137	1.8
189.12759	4.5
191.07019	1.7
191.10641	6.7
195.10095	1.1
198.06825	2.1
199.07475	1.2
201.12773	1.2
203.12584	1.5
203.14246	1.3
205.12257	3.8
205.15839	6.3
211.14903	1.3
213.09091	2.1
215.10655	3.1
217.15863	1.4
219.13795	2.9
225.09128	1.5
229.12346	1.2
229.15852	3.5
233.11891	1.1
243.10243	1.3
247.13199	1.9
247.16922	34.9
248.17197	1.3
251.12685	1.3
265.14368	53.5
265.17981	100.0
266.14560	1.3
266.18317	2.9
297.15356	1.0
384.15622	3.4
409.16827	1.7
409.22095	2.1
427.17780	13.1
427.23239	12.1
428.17831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.5
55.05503	0.7
56.96568	0.4
57.59299	0.5
67.05482	1.4
69.03397	0.5
69.07051	1.7
70.81118	0.9
70.81526	1.0
71.04977	0.7
71.77488	0.5
74.54662	0.5
79.05434	1.1
81.07024	2.0
85.02872	1.0
85.06511	0.7
91.05444	0.7
93.07019	1.0
95.04944	0.5
95.08575	2.0
97.06501	0.6
105.06989	1.6
107.08562	1.4
109.06500	0.8
109.10177	1.2
114.88326	0.5
116.52103	0.6
119.08549	1.4
121.10143	1.8
123.08062	0.6
127.03827	0.6
131.08569	0.6
132.45979	0.5
133.10115	1.5
135.11588	0.7
137.05971	0.6
139.11168	0.5
143.08513	0.7
145.10120	1.6
147.11655	0.9
151.07568	0.9
159.11636	0.7
165.09102	0.7
170.76300	0.5
171.11635	0.6
185.04201	3.7
191.10678	0.6
195.11687	0.6
197.13182	0.5
203.12732	0.9
265.14102	100.0
266.14462	4.0
273.09180	0.5
280.03052	0.5
409.26810	0.7
410.14200	0.5
427.19366	56.3
428.19614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42809	0.5
55.05487	1.1
55.69652	0.6
69.03409	1.1
69.07053	1.2
69.47762	4.7
71.04961	1.5
79.05473	0.9
81.07012	1.7
85.02881	1.3
91.05452	1.1
93.07001	1.7
95.04937	0.9
95.08576	1.5
97.02866	0.8
97.10110	0.7
98.20744	1.2
99.04431	0.7
105.07020	1.2
107.04935	1.0
107.08567	0.9
107.61526	0.7
109.10126	1.2
111.53997	0.5
119.08547	1.6
121.10126	1.3
123.11713	1.0
125.22668	0.5
127.03806	0.7
131.08524	1.2
133.10110	1.4
135.11687	0.7
147.11563	0.9
149.09532	0.8
151.07565	1.0
154.20374	0.6
157.10086	0.6
159.11630	0.7
163.11206	0.6
166.17886	0.5
173.13326	0.7
185.04190	4.3
189.09070	0.6
203.12735	1.1
265.14105	100.0
266.14450	2.7
283.13864	1.7
427.19379	84.1
428.19669	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	427.1963
Annotation	Lactuside A
Peak:m/z	Relative Intensity
51.70366	0.3
53.03953	0.4
53.55934	0.3
53.65884	0.3
55.01891	0.3
55.05501	1.7
56.46540	0.3
56.83170	0.3
57.03427	0.6
57.07060	0.7
58.22821	0.3
59.04984	0.5
61.02916	0.5
65.00915	0.3
67.05489	1.0
69.03430	2.8
69.07043	1.0
69.55073	0.5
69.55415	2.8
70.69719	0.3
71.04954	0.3
73.02885	0.3
75.02287	0.3
79.05486	1.4
81.03409	1.1
81.07044	1.6
83.04978	10.4
83.08575	0.4
85.02904	4.6
85.06525	0.7
86.63576	0.3
87.04430	0.3
91.05478	1.9
93.07031	2.3
95.04959	1.6
95.08607	1.8
97.02885	1.3
97.06506	0.7
99.04454	0.6
101.06007	1.1
105.07024	1.8
107.04928	1.0
107.08591	7.1
109.02868	0.9
109.06504	1.4
109.10126	1.4
111.08076	0.4
117.06992	0.6
119.08575	2.0
121.06469	1.8
121.10126	1.2
123.08051	1.0
123.11710	1.0
125.05997	0.7
127.03925	1.2
127.07513	0.4
129.06882	0.3
131.08554	1.1
133.06535	0.3
133.10091	1.2
135.08041	23.9
135.11649	1.1
137.05940	0.8
137.09598	0.7
139.07503	0.3
143.08516	0.5
145.04988	0.7
145.06502	0.8
145.10101	1.7
147.08064	1.0
147.11685	1.0
149.05965	1.1
149.09578	0.9
149.13264	0.5
155.08530	0.5
159.08044	1.4
159.11652	2.2
160.08846	1.9
161.09634	1.8
163.07530	7.8
163.11168	2.1
165.12732	4.1
167.06963	0.9
169.10124	0.3
172.08842	1.1
173.09654	0.9
173.13240	1.0
175.14842	0.4
177.05392	0.3
177.09151	0.8
177.12753	0.5
179.10657	0.6
186.10316	0.4
187.11179	7.5
189.09113	0.6
189.12785	0.4
191.07027	0.6
191.10657	0.4
191.14252	0.6
198.06841	0.5
201.12727	2.1
205.12190	2.2
205.15862	0.5
213.09151	0.4
215.10620	0.6
219.13792	5.8
229.12215	0.7
231.04991	0.5
247.13242	3.9
247.16960	1.7
265.14331	100.0
265.17749	5.0
266.14682	2.6
355.11755	0.4
384.15622	0.7
427.19046	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	427.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56558	0.4
54.30373	0.3
55.01880	0.3
55.05487	1.5
56.96550	0.5
57.03434	2.0
59.04978	0.6
59.16058	0.3
61.02913	0.6
67.05471	0.5
69.03415	2.5
69.07046	1.1
69.64987	0.3
70.80551	1.1
71.01348	0.5
71.04970	0.4
73.02905	4.0
79.05454	0.3
81.03400	0.6
81.07025	1.4
83.08624	0.3
85.02898	3.6
86.09712	0.4
93.07053	0.4
94.04020	1.3
95.08588	0.6
97.02877	2.7
97.10159	2.2
98.97556	1.3
99.08074	1.5
105.07038	0.5
109.02868	0.6
115.03915	1.9
115.11174	0.8
116.98589	0.7
117.09127	3.2
121.51273	0.4
123.06664	0.8
123.08007	0.5
124.07597	0.6
127.03941	0.9
133.05016	0.4
133.12210	0.4
140.06972	0.4
145.04922	1.1
146.05988	1.3
146.08273	0.3
149.05899	0.4
150.07732	82.0
151.08211	1.7
158.99673	0.4
163.06100	0.3
177.05540	0.3
203.05270	1.1
219.01677	0.4
220.96815	0.3
223.06372	0.5
237.02946	0.8
242.08034	0.5
265.07169	0.6
265.14221	0.5
266.13797	0.4
277.12744	0.8
282.11844	0.4
283.08386	0.8
295.11459	19.0
296.11676	0.3
301.06033	0.5
307.08633	0.5
307.13806	0.8
335.09451	0.4
337.79410	0.3
351.34763	0.3
379.08167	0.4
391.08633	0.4
397.18259	0.5
405.31903	0.3
409.09354	0.6
419.12286	0.7
427.19363	100.0
428.19598	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50333	0.3
55.05493	1.0
56.96559	0.4
57.03421	0.9
61.02896	0.4
69.03422	1.2
69.07043	0.7
69.80327	2.0
70.79252	0.3
73.02927	2.0
81.07037	0.5
82.92765	0.3
83.04954	0.4
85.02907	1.8
88.00401	0.3
93.07066	0.5
94.04043	0.9
97.02868	1.3
97.10162	1.7
98.97584	0.8
105.82740	0.3
108.62583	0.3
109.02877	0.5
115.03928	0.9
115.11196	1.3
116.98599	0.6
117.09156	0.9
121.02872	0.6
123.06666	0.9
127.03928	0.6
128.98605	0.3
133.04970	0.5
133.12209	0.4
134.99655	0.3
137.05879	0.3
145.04951	0.5
145.10161	0.3
146.05992	0.8
150.07741	100.0
151.08043	1.1
158.99628	0.3
161.02948	0.5
177.00699	0.5
177.05605	0.4
215.46230	0.3
219.01614	0.6
223.06441	0.3
234.07529	0.5
237.02824	0.6
249.02795	0.4
265.07477	0.8
277.12689	0.3
282.12079	0.9
283.08505	1.4
295.06094	0.8
295.11481	24.5
296.11786	0.7
307.08298	0.8
307.14026	0.5
313.69290	0.3
391.07556	0.4
409.08978	0.3
419.12347	0.6
427.19400	59.6
428.19644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
57.03434	18.4
61.02912	7.0
65.97086	1.6
67.05517	1.8
69.03069	2.6
69.03423	36.3
70.15450	6.0
70.15860	2.5
71.01344	4.4
72.51998	1.5
73.02913	42.2
81.03391	5.7
81.07021	1.5
83.04951	1.4
85.02895	51.1
87.04443	3.3
91.05475	2.3
95.08578	2.1
97.02886	100.0
97.74368	1.8
99.04441	2.2
103.03907	4.0
105.06999	4.7
107.04944	4.8
109.02857	4.7
115.03923	62.1
117.07019	1.4
119.04903	1.5
127.03900	14.7
127.88869	1.5
131.04926	2.0
131.08601	3.2
133.04951	12.2
133.06448	8.1
135.08049	2.7
145.04912	12.3
145.10110	1.7
147.08020	2.3
149.04457	3.3
157.04955	1.5
157.06349	1.6
159.08029	1.8
163.05994	4.3
163.11162	1.5
167.06975	1.8
171.08063	4.9
173.06113	1.5
175.07436	2.2
191.99864	1.5
202.21437	1.7
211.05899	7.1
223.06009	3.3
229.06979	8.2
241.07048	5.1
244.63142	1.6
259.08084	5.0
295.10175	5.3
303.53622	1.6
305.45865	1.4
384.15427	2.2
409.16077	1.4
427.17422	3.8
434.72144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10826	1.3
53.03936	1.5
55.01862	1.9
57.03435	16.6
60.88289	1.3
61.02911	5.5
62.56039	1.4
69.03080	2.3
69.03426	38.0
71.01334	5.0
71.11796	3.0
73.02911	38.5
81.03414	8.5
81.07037	1.4
83.93299	1.5
85.02897	48.3
87.04449	1.6
88.79456	1.3
91.05450	4.4
93.07044	3.3
95.04892	1.7
95.08572	1.7
95.48418	1.4
97.02885	100.0
99.04448	1.9
100.11205	1.5
103.03940	2.0
105.07064	3.4
107.04946	3.3
109.02868	3.4
111.04423	1.5
113.02367	2.4
113.39040	1.5
115.03926	46.4
115.05434	1.5
119.04892	1.6
119.08562	2.1
127.03918	9.4
129.06995	1.5
131.04906	3.5
131.08607	1.9
133.04993	11.4
133.06491	7.5
134.10542	1.6
135.04373	1.8
135.08095	1.4
141.06934	1.6
142.04424	1.5
145.04951	7.8
145.10197	2.4
147.08049	2.9
149.04422	4.9
157.04907	2.0
159.08008	2.4
160.05247	1.5
161.05962	2.1
161.09650	1.6
163.06041	3.4
167.07021	1.8
170.34036	1.4
171.08061	3.8
175.07544	1.7
189.09090	1.4
197.09468	1.5
201.09067	3.6
211.05983	6.3
223.06007	3.5
225.09286	1.5
229.06978	6.8
241.07089	5.1
243.10104	1.8
259.08139	4.9
290.80917	1.6
295.10229	5.9
384.15549	2.0
409.16690	1.6
427.17358	4.6
441.49481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05512	12.0
56.33699	2.3
57.07064	5.0
61.60173	2.2
67.05498	30.9
69.07068	25.3
71.63149	3.6
79.05483	17.2
81.07053	60.2
83.08620	11.9
87.41453	2.5
90.22368	2.4
91.05467	12.9
91.64712	2.2
93.07034	39.8
95.04973	2.7
95.08601	100.0
97.06534	3.6
97.10154	5.9
105.07024	28.3
107.07858	4.6
107.08589	71.3
109.06538	3.4
109.10153	78.3
111.08090	4.1
111.11708	3.7
119.08572	43.1
121.10136	53.4
123.08047	5.2
123.11714	32.1
125.09615	3.4
129.07059	3.1
131.08566	8.3
133.10120	32.5
135.11705	43.3
137.13240	16.5
137.65594	2.4
141.59477	2.3
145.10091	17.0
147.11674	34.2
149.09753	2.6
149.13252	34.7
151.11194	4.5
157.10135	5.9
159.11711	17.0
161.13260	25.7
163.14825	18.4
171.11703	4.7
173.13254	14.9
175.14844	13.3
177.16371	10.7
179.14316	4.9
185.13167	3.1
187.14807	8.8
189.16386	28.2
190.21463	2.4
191.17914	40.7
193.15900	2.7
193.19650	3.5
199.14853	4.6
201.16425	13.2
203.17924	23.5
205.15950	3.2
205.19514	10.1
207.17432	8.1
215.17979	11.9
217.19499	34.7
219.17282	2.6
219.20984	4.7
227.17805	3.2
229.19528	3.1
231.20912	3.8
233.19009	3.2
235.20576	3.6
241.19582	2.8
245.22665	3.1
257.22632	3.0
271.24130	3.3
273.70657	2.5
299.27167	3.0
407.28839	3.6
407.36807	14.9
425.29849	3.6
425.38104	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	16.2
57.07070	9.0
60.87024	2.7
67.05503	30.0
69.07065	24.1
71.04979	2.8
71.08636	4.4
79.05489	18.1
79.35733	2.5
81.07054	70.7
81.07514	5.4
83.08606	15.7
84.87763	2.7
91.05486	18.7
93.07042	44.2
95.08604	100.0
97.06541	6.4
97.10174	8.3
97.17536	2.6
105.07026	45.7
107.08594	76.1
109.06571	3.0
109.10151	73.1
111.11712	2.8
119.08576	43.8
121.10152	59.0
121.19164	2.5
123.08072	3.3
123.11714	34.3
125.05947	2.6
125.09638	8.6
127.11162	2.8
131.08551	8.0
133.10129	36.8
135.11690	47.6
137.13255	21.0
145.10100	12.0
147.11682	35.3
149.13261	34.3
151.14857	4.7
157.10150	5.0
159.11691	23.0
161.13263	31.9
163.14789	24.2
165.12805	3.3
171.11722	4.6
173.13252	11.9
175.11282	2.4
175.14838	16.6
177.16373	11.8
179.14319	3.9
182.27754	2.5
185.13278	4.6
187.14813	9.0
189.16374	24.3
191.17941	40.7
199.14781	3.6
201.16299	13.1
203.17981	26.4
205.15927	2.8
205.19518	10.7
207.17465	6.5
213.16278	4.0
215.17979	9.9
217.19524	26.6
219.21104	5.0
229.19580	6.5
233.18936	4.4
243.21086	3.7
245.22540	5.3
257.22595	3.7
271.24146	3.9
407.37213	17.3
414.92548	2.8
425.30508	10.8
425.38104	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.19981	6.2
59.06108	5.8
67.05503	10.8
69.07053	17.5
70.78233	13.8
70.78605	11.0
81.07080	36.7
83.08598	10.4
93.07011	17.5
95.08606	50.2
105.07028	12.3
107.08582	36.9
109.10148	50.4
111.11701	6.5
119.08556	13.7
120.41839	5.1
121.10165	28.4
123.11706	22.6
133.10100	14.9
135.11681	14.2
137.13239	14.4
145.10153	7.0
147.11673	14.0
149.13260	9.2
163.14847	11.4
175.14731	10.5
177.16228	7.3
189.16385	12.7
191.17964	16.9
203.17920	10.5
205.19518	9.9
215.17996	9.8
217.19548	15.1
245.22621	11.8
247.20502	11.5
407.36807	13.4
425.21561	9.2
425.37756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03941	1.9
55.05507	16.0
57.07071	12.0
65.03945	2.3
67.05500	32.3
67.38768	1.2
69.03436	5.5
69.07066	24.7
70.62672	4.4
70.63017	1.3
71.04994	2.2
71.08626	2.1
74.40754	1.5
79.05489	19.3
81.07053	62.8
83.08623	16.2
91.05476	13.4
93.07046	40.8
93.07616	2.5
95.04978	2.0
95.08601	100.0
96.08943	2.1
97.06538	5.3
97.10182	6.3
99.08105	1.7
105.07023	30.4
107.08590	73.1
108.08963	1.8
108.83483	1.7
109.06538	3.2
109.10150	86.7
111.08104	3.1
111.11735	2.8
116.29684	1.3
117.06994	2.4
119.08580	42.9
119.11054	1.4
121.06527	2.1
121.10138	47.6
123.08051	3.5
123.11713	34.6
123.12566	2.6
125.09665	4.8
127.11203	2.2
131.08560	7.5
133.08601	1.8
133.10117	29.8
135.08075	2.4
135.11696	46.3
135.12688	2.7
137.09666	2.0
137.13248	21.6
143.08600	1.4
145.10123	14.4
147.11676	32.0
147.12761	1.8
148.98544	1.8
149.13255	36.0
151.11327	1.8
151.14877	4.3
157.10176	4.2
159.11697	20.0
161.13252	28.8
162.73534	1.5
163.11209	2.0
163.14816	25.5
165.12822	1.9
171.11778	3.9
173.13284	11.4
175.11259	2.1
175.14812	16.5
177.16380	12.1
179.14244	8.0
185.13313	2.6
187.14810	9.2
189.16367	26.6
189.17865	2.2
191.17940	48.0
193.19603	1.8
199.14859	3.1
201.16345	14.3
201.69466	1.3
203.14552	1.6
203.17947	24.5
205.16039	2.7
205.19514	12.2
207.17403	9.2
213.16379	1.8
215.17950	10.4
217.19496	32.1
219.17499	2.1
219.21132	4.1
221.19016	2.2
227.18086	2.0
229.19498	3.6
231.21179	2.7
233.19174	4.7
235.20679	3.9
236.63396	1.4
243.21179	4.9
245.22792	3.3
255.21126	2.7
257.22464	3.1
259.24350	1.8
261.22220	2.9
269.22806	2.2
271.24301	2.7
273.22321	1.6
275.23666	2.0
277.33435	1.7
297.25909	2.7
314.63748	1.5
337.28900	1.5
341.25009	2.6
369.24136	2.0
407.29132	2.3
407.37073	19.4
425.38062	70.8
426.38254	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.8
57.07063	5.3
62.14632	3.4
67.05499	25.0
69.07062	22.5
71.51606	7.5
79.05504	17.0
81.07054	50.4
83.08600	11.7
91.05473	12.4
93.07042	46.4
95.08605	100.0
96.94492	3.3
97.10179	6.5
102.28973	4.1
105.07022	29.3
107.08589	74.2
109.06512	3.7
109.10150	87.1
111.11721	4.7
113.19460	3.3
117.06983	5.1
119.08572	60.4
121.10133	75.3
123.11702	33.7
131.08572	7.1
133.10133	88.9
135.11694	69.3
137.13261	15.8
145.10057	11.0
147.11661	36.0
149.13235	23.9
159.11703	18.0
161.13235	37.7
163.14790	31.4
165.12677	4.0
173.13188	9.9
175.14842	18.4
177.16362	12.9
179.14270	7.9
187.14772	10.5
189.16345	24.9
191.17947	31.7
201.16393	7.4
203.17947	33.8
205.19505	4.0
207.17326	8.3
214.15208	3.7
215.17957	8.7
217.19493	35.0
231.21060	6.0
245.22636	7.5
271.24179	3.8
333.27887	4.5
397.03003	3.5
407.36774	29.7
425.15536	3.3
425.38031	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03960	3.2
55.05510	13.0
55.46354	3.2
57.07063	9.2
57.42540	2.8
60.06586	2.8
67.05501	33.4
68.15202	2.9
69.07066	47.7
71.46854	8.3
79.05511	16.2
81.03393	3.3
81.06577	4.6
81.07056	87.9
83.04987	6.1
83.08614	18.3
85.06481	3.0
86.09745	3.2
91.05469	11.2
93.07045	38.3
95.04952	4.7
95.08604	100.0
97.10184	7.3
105.07024	25.4
107.08591	45.4
108.62596	3.0
109.06508	4.5
109.10157	70.9
111.11725	11.3
117.06995	3.6
119.08598	29.6
121.10127	48.0
123.08054	5.1
123.11710	26.6
131.08585	11.3
133.10141	26.2
135.11693	30.7
137.09648	4.2
137.13229	17.6
145.10110	12.8
147.11681	23.4
149.09604	4.1
149.13239	25.6
149.24910	3.5
151.11159	3.2
157.10094	4.1
159.11702	13.5
161.13269	15.8
163.11229	4.6
163.14851	21.7
165.12743	5.3
171.11665	4.0
173.13274	11.2
175.14786	21.5
177.16371	19.6
187.14842	8.3
189.16415	10.5
191.17958	18.0
201.16426	6.7
203.17993	5.6
205.19528	4.7
215.17944	7.2
217.19493	10.6
227.18010	3.6
229.19601	6.6
241.19478	4.0
257.22537	4.4
269.22571	5.5
271.24283	3.9
288.50195	3.1
343.30441	3.8
407.36688	21.8
425.28268	4.6
425.38110	69.8
426.38184	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03937	1.4
55.05514	8.7
57.07086	5.3
65.03946	1.2
67.05503	19.5
67.67554	1.1
69.07071	16.2
69.27997	14.1
79.05486	9.4
81.07053	63.1
83.08626	8.8
91.05464	8.5
93.07040	26.4
93.07623	1.7
95.04962	2.1
95.08605	100.0
96.08934	1.3
97.10203	3.2
105.07027	18.4
107.08597	38.8
108.80006	1.1
109.06508	2.0
109.10154	47.6
111.08081	1.3
111.11701	1.8
117.07050	2.2
117.50361	1.2
119.08581	25.3
121.10137	30.8
123.08089	2.6
123.11721	20.8
131.08551	7.6
133.10135	28.9
134.10478	1.4
135.11690	30.2
137.13255	40.6
138.07368	1.2
139.28918	1.2
143.08537	2.1
145.10138	8.6
147.11688	15.5
149.13245	13.5
151.14851	2.7
157.10168	2.5
159.11658	9.8
161.13251	16.4
163.14821	16.6
165.16351	1.1
171.11633	2.0
173.13298	7.0
175.14790	7.5
177.12732	1.9
177.16359	7.7
179.14304	3.9
181.50584	1.4
181.76111	1.2
185.13254	4.5
187.14806	16.0
189.16408	10.6
191.17918	11.7
193.19464	1.6
199.14819	1.5
201.16463	6.0
203.17966	13.7
205.15930	1.3
205.19539	3.9
207.17444	4.4
213.16557	2.5
215.17979	7.8
217.19521	11.6
219.21155	2.1
227.17940	12.5
229.19600	3.1
231.21172	1.9
233.12747	1.2
233.19077	1.9
243.20992	1.7
245.22690	2.5
255.21132	2.9
257.22632	3.3
269.22574	2.8
285.25873	1.8
297.25787	3.2
391.60776	1.2
407.32373	1.9
407.36761	20.5
425.38049	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	20.9
57.07053	9.1
67.05499	42.2
69.03423	3.5
69.07066	57.9
71.03433	6.5
71.03790	2.9
79.05476	20.2
81.07051	90.8
83.08598	17.6
91.05464	19.1
93.07037	46.4
95.04945	4.0
95.08598	100.0
97.06504	4.6
97.10162	11.3
105.07028	35.9
107.08575	65.3
109.06503	3.3
109.10143	81.8
111.11703	10.9
117.07009	3.5
119.08578	48.3
121.10138	56.1
123.11680	33.7
125.09637	3.2
131.08537	11.0
133.10115	35.3
135.11673	37.7
137.09592	6.7
137.13216	21.4
143.08549	4.8
145.10097	17.8
147.11671	33.0
149.13246	39.1
151.11185	3.8
151.14754	6.7
157.10107	5.7
159.11674	22.2
161.13249	23.0
163.14804	18.8
165.12740	6.1
171.11687	3.1
173.13225	12.1
175.14835	19.4
177.16377	16.4
185.13245	4.2
187.14786	11.5
189.16365	14.0
191.17880	15.8
193.15855	5.4
199.14848	6.0
201.16367	11.9
203.14233	3.5
203.18004	15.2
205.19531	6.4
215.17924	15.2
217.19437	19.3
227.17891	5.8
229.19461	10.1
231.21002	8.8
231.58899	3.6
233.19011	5.4
243.20964	5.1
255.20992	4.0
259.24136	3.9
269.22473	4.4
271.24252	5.4
302.12772	3.3
341.24329	3.8
343.29816	5.5
351.30536	3.5
367.30032	4.4
407.37189	15.8
423.01041	3.6
425.32922	6.7
425.38278	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.36018	2.6
53.72141	2.3
55.05494	11.0
57.07055	2.9
67.05491	19.2
69.07063	28.4
71.54343	3.5
79.05492	10.2
81.07052	48.0
83.08605	10.9
91.05457	10.3
93.07034	33.6
95.08596	74.9
97.10127	5.2
105.07016	21.1
107.08581	54.9
109.10142	54.5
111.11726	5.7
112.57849	2.7
119.08558	30.3
121.10140	47.9
123.11700	29.0
125.13255	3.7
131.08578	7.1
133.10126	31.6
135.11690	33.6
137.13243	12.5
145.10098	14.8
147.11702	22.3
149.13263	24.2
151.14847	2.8
157.10123	3.9
159.11690	12.5
161.13252	18.0
163.14763	14.5
171.11604	4.1
173.13277	15.6
175.14841	15.9
177.16353	11.8
180.39305	2.7
187.14822	9.9
189.16322	16.3
191.17952	12.1
194.27991	2.9
199.14709	3.4
201.16389	8.7
203.17931	7.1
205.19487	7.3
207.17390	7.3
215.17908	8.5
217.19492	10.6
219.20966	3.8
229.19493	7.0
231.21175	13.8
243.21030	13.7
245.22717	11.9
249.05206	2.8
257.22662	7.6
259.24158	5.2
261.22037	6.1
269.22775	10.7
270.37549	3.1
271.24237	11.3
283.24249	5.1
285.25659	5.6
287.23682	7.0
311.27264	4.7
329.28439	9.2
337.28708	2.8
407.36746	25.1
425.37741	100.0
426.38348	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05498	11.9
56.89114	3.8
57.07060	10.2
67.05491	16.8
69.07062	20.0
69.87915	4.1
70.78509	15.8
79.05473	6.4
81.07051	72.6
83.08610	7.8
91.05474	7.9
93.07039	20.1
95.08604	100.0
104.73880	3.9
105.07024	15.6
107.08591	30.0
109.10155	39.1
119.08577	17.4
121.10111	22.1
123.11761	22.6
127.42374	4.0
131.08546	6.9
133.10138	14.9
135.11703	17.0
137.13246	76.1
137.14247	7.5
145.10130	12.6
147.11690	16.6
149.13269	16.7
157.10173	4.8
159.11696	13.1
161.13211	9.2
163.14857	5.7
171.11737	4.4
173.13284	9.3
175.14839	10.2
177.16389	6.8
187.14784	9.0
189.16357	9.7
201.16304	6.3
203.17938	6.3
215.18034	6.8
222.59314	3.9
231.68721	4.1
233.18964	5.3
257.22592	11.9
269.22626	6.4
296.72736	4.0
303.85690	4.9
308.90546	4.2
353.04568	4.1
402.79489	4.7
407.36725	11.3
425.33429	15.5
425.37689	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.80838	1.5
55.05497	8.5
57.07069	4.0
67.05501	20.9
69.07067	23.6
71.58418	3.4
79.05493	7.9
81.07052	43.5
83.08618	7.7
91.05462	8.5
93.07039	25.8
95.04943	2.6
95.08599	79.7
97.10153	6.7
105.07032	16.8
107.08586	41.0
109.10155	58.5
111.08045	1.7
111.11714	8.0
117.06998	2.2
119.08575	30.2
121.10135	37.5
123.08025	3.2
123.11700	25.9
128.77045	1.8
131.08553	4.4
133.10124	22.8
135.11690	25.3
135.45694	1.6
137.13264	18.3
145.10094	9.7
147.11679	16.0
149.13248	15.0
151.14854	2.5
157.10124	2.0
159.11693	10.8
161.13239	14.6
163.14784	13.4
165.12825	2.2
171.11636	1.7
173.13263	6.6
175.14784	10.3
177.16376	9.8
179.14299	3.7
179.17940	2.2
185.13251	1.8
187.14824	5.4
189.16330	16.1
190.96387	1.7
191.17953	22.0
201.16464	9.1
203.17953	11.1
205.19464	9.1
207.17441	5.5
213.16382	1.9
215.17970	9.2
217.19473	11.1
219.21066	3.3
229.19415	3.3
231.21072	6.6
243.21136	6.1
245.22649	12.7
247.20572	12.6
253.49730	1.7
255.21104	2.6
257.22626	3.1
259.24319	2.5
261.22180	4.3
262.04739	1.6
269.22479	4.6
271.24194	4.4
283.24081	2.8
285.25696	2.7
289.25070	1.9
297.25955	1.8
311.27289	2.3
407.36755	24.1
425.37753	100.0
426.38016	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	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05507	5.0
57.07064	11.4
67.05496	8.4
69.07060	12.5
69.32887	24.3
69.33295	6.6
71.04970	3.2
71.08623	3.1
74.04368	2.7
74.35075	3.1
79.05484	7.1
81.07037	19.4
83.08598	3.4
86.72795	2.6
91.05495	8.1
91.42147	3.2
93.07047	14.2
95.08591	31.3
105.07040	6.9
107.08576	18.9
109.06505	3.1
109.10143	24.1
113.00014	17.2
119.08553	17.7
121.10112	14.0
123.11729	8.5
131.08601	6.3
133.10132	14.6
135.08110	4.8
135.11681	7.6
137.09659	3.5
137.13301	5.3
145.10135	8.2
147.11678	3.5
149.13306	6.5
157.10179	6.0
159.11742	9.3
161.13237	7.2
163.14821	5.5
169.02615	19.6
171.11743	3.6
173.13304	6.6
175.14883	3.4
189.16438	3.1
197.13394	3.3
201.16452	5.5
217.16011	5.2
225.16685	3.7
241.19492	4.8
313.27393	10.1
407.33182	9.8
425.21585	5.3
425.34225	100.0
426.34299	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05499	10.6
57.07059	7.9
67.05494	26.5
69.07068	23.5
69.61296	17.9
69.61717	10.1
79.05489	17.7
81.07059	49.6
83.08597	13.2
91.05449	11.3
91.22025	3.4
93.07020	40.2
95.08598	100.0
97.10156	9.5
98.67628	3.4
105.07038	31.8
107.08588	74.2
109.06481	4.1
109.10149	87.0
111.11657	3.4
119.08564	61.6
121.10127	69.4
123.08067	3.6
123.11713	27.1
131.08527	6.2
133.10121	76.2
135.11691	61.3
137.13228	16.9
141.33488	3.8
145.10106	10.4
147.11668	37.3
149.13292	24.0
159.11713	23.2
161.13220	34.3
163.14816	30.0
171.11748	5.6
173.13242	8.7
175.14778	19.7
177.12750	3.4
177.16382	9.4
179.14151	5.9
187.14795	11.2
189.16379	21.6
191.17953	34.0
199.14746	4.6
200.18556	3.6
201.16335	8.9
203.17894	26.5
205.19498	5.1
207.17371	7.9
213.16423	4.1
215.17918	8.6
217.19495	30.4
229.19411	6.7
245.22624	8.3
255.21022	4.2
297.25854	5.0
315.26889	4.6
407.36887	24.0
425.22058	4.5
425.33722	32.2
425.37769	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	425.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01855	0.4
55.05499	1.0
56.66909	0.3
57.03416	1.8
57.04811	0.3
58.38472	0.3
59.04992	0.5
67.05482	0.8
69.03420	3.5
70.70731	0.3
71.04971	1.5
71.59971	0.7
72.08073	0.3
73.02888	1.1
79.05470	0.5
81.03390	1.5
81.07025	0.4
83.04964	1.0
85.02888	3.0
91.05463	0.7
93.07050	0.6
94.06548	0.5
95.08584	1.0
97.02880	0.4
98.97597	0.7
99.03846	0.4
99.04454	5.8
103.03929	2.1
105.07052	0.4
109.02821	0.8
117.05502	2.2
121.10163	0.5
122.06060	0.5
127.03906	2.6
132.06810	0.6
146.08415	1.5
147.09154	65.8
148.09470	1.2
152.88811	0.3
159.09160	1.8
160.09975	0.7
161.10791	1.7
173.10796	0.5
189.10194	4.0
214.11763	0.4
219.11298	2.1
233.12920	0.5
245.12880	2.0
247.14381	0.6
262.32095	0.4
263.13931	2.2
281.14935	8.3
284.01538	0.4
284.31110	0.4
294.66388	0.4
305.14819	0.9
323.16003	6.1
363.19147	9.4
365.17047	17.0
366.17288	0.6
378.50558	0.4
389.17215	0.9
407.07419	0.5
407.18381	2.2
425.19159	100.0
426.19559	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	425.1414
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
62.30690	0.3
69.66386	3.1
78.04945	0.4
83.08611	0.4
84.61884	0.3
85.51568	0.4
91.05463	0.9
98.21470	0.7
101.84765	0.4
144.34740	0.4
189.35014	0.4
247.10944	0.4
293.09970	1.0
407.07294	0.4
425.14151	100.0
426.14478	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.0
67.05487	5.1
69.03409	3.1
69.07049	4.5
69.20605	1.0
79.05461	3.3
81.07052	6.9
83.04962	4.4
84.87952	1.3
85.02896	2.8
85.06538	2.5
85.72846	1.3
91.05464	4.4
93.07034	5.6
95.04963	2.7
95.08600	7.3
97.02886	1.9
99.04465	1.2
101.75658	1.2
105.07045	6.2
107.04932	1.7
107.08596	7.4
109.02859	1.5
109.06491	1.3
109.10139	4.5
119.08564	5.2
121.06458	1.7
121.10143	5.5
123.11719	2.1
125.06004	1.4
131.08560	2.5
133.10115	5.9
135.11676	1.7
137.05943	3.1
139.03926	8.7
141.06908	1.2
143.08606	1.9
145.10121	5.2
147.11699	3.9
148.19785	1.1
149.09636	1.8
149.13338	1.4
151.07487	2.7
157.10112	3.3
159.08054	1.7
159.11694	2.1
161.13165	2.2
163.11264	1.5
165.09087	1.7
169.09987	1.3
171.08025	1.3
171.11644	2.4
173.13324	1.5
175.14569	1.2
184.14151	1.6
185.04225	3.7
195.08148	1.3
197.13155	1.3
199.14934	1.6
203.14256	1.4
207.06485	1.6
258.14313	1.5
263.12555	84.8
264.12988	1.8
267.17419	2.0
281.12350	3.7
287.09152	1.6
299.13376	4.0
398.63245	1.3
407.20877	1.8
425.12585	5.2
425.17664	100.0
425.25003	4.9
426.17899	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	425.1229
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
53.03936	1.0
55.01855	2.2
55.05514	1.1
57.03423	0.5
62.82650	0.5
65.03927	1.5
66.85210	0.4
67.05501	2.8
68.99777	1.5
69.03425	2.9
69.07043	1.4
71.63480	0.9
76.61196	0.5
79.05487	1.8
81.03407	1.0
81.07042	2.6
83.04967	1.7
83.08591	0.8
85.02891	0.8
85.06512	0.6
91.05469	1.6
93.03403	0.8
93.07032	2.1
95.04962	2.0
95.08607	2.7
97.02893	1.0
97.06509	0.7
99.04397	0.8
100.11214	0.6
105.07021	2.0
107.08586	2.2
109.02884	0.6
109.06508	1.1
109.10131	1.9
111.04420	4.0
117.07001	0.9
119.08582	2.2
121.06472	0.6
121.10136	1.8
123.04408	3.0
123.11697	1.1
125.09670	0.5
127.80926	0.5
128.06201	0.9
129.06998	1.3
131.08530	1.7
133.10135	2.3
135.04436	0.9
135.08064	0.7
135.11679	1.0
137.05956	0.9
139.03896	100.0
140.04208	1.6
141.06964	1.0
142.07747	0.6
143.08586	1.0
145.06422	0.6
145.10115	1.7
151.03897	3.5
151.04919	0.6
152.06210	1.5
153.06976	1.4
155.08546	1.9
157.06476	1.1
157.10107	1.2
159.08102	0.7
159.11697	1.0
161.05969	1.1
161.09619	0.5
163.03870	2.5
165.06982	1.9
165.09108	1.5
167.03357	1.4
167.08546	4.1
169.06494	1.4
170.07259	0.8
171.08038	1.4
171.11708	0.6
173.06007	1.4
175.03847	0.6
175.07545	0.6
177.05559	0.9
177.07001	1.0
179.08578	1.5
181.04988	0.8
181.06523	1.1
183.04453	0.7
183.08058	3.5
183.11821	0.5
184.05084	0.8
185.05962	0.9
185.09599	1.4
187.07585	0.7
187.11194	0.6
189.05493	1.0
189.08983	0.5
195.08061	7.2
197.06020	1.5
197.13383	0.6
199.07538	1.8
200.04718	1.5
201.05447	1.1
201.09106	0.5
205.06476	1.0
207.08017	1.0
211.07480	2.0
212.04700	1.3
213.05548	0.8
213.09151	2.9
215.06995	1.9
217.04984	0.7
217.08644	1.1
218.05699	3.1
223.07515	3.8
223.14883	0.6
225.05522	0.6
225.09071	1.2
227.07080	1.2
229.05006	1.1
229.08562	3.1
230.05779	0.8
235.07611	1.3
239.10780	0.7
241.08589	4.6
243.06516	1.8
245.08060	1.1
246.05270	0.6
251.07040	0.6
253.08566	2.2
257.08047	1.7
258.05460	0.5
259.09628	4.6
269.08133	2.3
281.08112	0.7
287.09119	14.8
384.08261	0.9
407.11246	1.1
425.12311	57.6
426.12567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1228
Annotation	demethylkotanin
Peak:m/z	Relative Intensity
53.03932	0.4
55.01860	2.5
55.05510	0.3
65.03932	1.4
67.05499	2.1
68.99786	1.7
69.03072	0.4
69.03425	5.7
69.38577	2.7
69.66366	0.2
71.04966	0.5
71.61592	0.3
77.32561	0.2
81.07029	0.4
83.04972	1.4
91.05461	0.5
93.03387	1.3
95.04967	1.2
95.08595	0.3
97.02874	0.9
99.04459	1.3
103.60747	0.2
107.04936	0.3
109.02920	0.3
111.04427	3.5
115.03926	0.4
115.05444	0.8
117.07005	0.3
121.02863	0.4
123.04431	3.8
128.06224	0.5
129.06976	1.0
131.04900	0.5
131.08490	0.3
135.04407	0.4
139.03891	100.0
140.04205	1.6
141.06961	1.3
142.07774	0.7
143.08551	0.8
144.05688	0.3
145.06491	0.6
145.10066	0.3
147.04385	0.6
151.03914	3.7
151.78809	0.2
152.06187	2.8
153.05479	0.8
153.06973	2.1
155.04890	0.5
155.08528	2.5
157.06511	1.4
157.10101	0.5
159.08002	0.3
161.05957	1.2
163.03911	3.4
165.05617	0.4
165.06979	3.3
166.07758	0.9
167.03465	1.9
167.04787	0.4
167.08557	7.2
168.05734	0.8
169.06470	2.0
170.07263	0.5
171.04398	0.4
171.08031	1.5
172.05208	0.7
173.05916	1.5
175.03908	0.7
175.07552	0.5
176.04665	0.6
176.06190	0.3
177.05405	0.6
177.06978	1.5
178.07768	0.4
179.03358	0.4
179.07164	0.2
179.08568	0.9
180.05724	0.2
181.04924	0.9
181.06503	1.6
183.04402	1.0
183.08052	5.0
184.05225	0.6
185.06035	1.6
185.09583	1.7
186.06665	0.4
187.03886	0.5
187.07484	1.1
189.05478	1.6
189.06949	0.3
189.09065	0.3
190.06232	1.0
193.06479	0.6
194.07271	0.5
195.08043	9.3
196.05222	0.3
196.08687	0.2
197.05954	2.2
197.09636	0.5
198.06676	1.0
199.03886	1.1
199.07542	2.5
200.04669	2.2
201.05466	1.9
201.09132	0.9
202.06143	0.4
203.07030	0.5
205.04843	0.4
205.06526	1.5
207.07948	1.2
209.06013	0.4
211.07529	4.3
212.04678	0.9
212.08047	0.3
213.05617	1.3
213.09090	3.8
214.06247	0.7
215.06970	2.4
216.03984	0.2
216.07591	0.2
217.04926	0.5
217.08607	0.8
218.05711	3.9
219.06517	0.2
220.04988	0.3
221.05980	0.7
222.06609	0.4
223.07523	7.0
225.05495	0.8
225.09122	1.0
226.06163	0.4
227.06982	1.0
228.04250	0.4
229.05077	1.2
229.08559	5.3
230.05739	0.6
235.07518	1.0
239.07040	0.7
240.07532	0.3
241.08565	6.2
243.06537	3.0
244.06956	0.3
245.07982	1.4
246.05270	1.1
251.07021	1.2
253.08549	2.0
257.08081	2.1
259.06940	0.3
259.09665	6.8
267.06491	0.3
267.09906	0.3
269.08054	4.7
281.08105	0.9
286.08377	0.5
287.09109	21.2
288.09421	0.5
343.09464	0.5
365.71558	0.3
366.07153	0.4
384.08328	1.1
389.09879	0.4
407.11166	0.9
411.63263	0.3
422.11774	0.2
425.12305	88.7
426.12646	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20190	0.6
60.26534	0.6
62.43475	0.6
68.80209	0.6
69.81975	4.2
77.00864	0.6
79.27271	0.6
82.99837	1.3
83.26952	0.6
93.12292	0.6
95.73964	0.6
97.02874	1.3
98.21474	1.1
98.97540	0.8
100.62721	0.5
101.00862	7.1
109.02907	1.0
113.00866	1.6
119.01262	0.9
119.01910	24.6
120.01994	0.9
123.98026	0.7
127.02372	1.2
131.00241	0.7
131.01900	9.5
133.03482	1.0
136.83118	0.6
137.01982	0.8
137.02925	3.9
143.01892	23.1
145.00816	0.8
145.03442	9.8
149.02901	1.2
154.01297	0.7
155.01869	11.9
157.03452	6.7
161.02953	47.5
162.03140	0.9
163.04544	1.6
167.01910	4.5
169.03484	2.4
171.04984	2.7
173.02962	22.8
175.04489	3.5
179.01892	1.6
179.04025	0.8
181.03549	0.8
184.04544	1.4
185.02954	29.4
186.03181	0.9
187.04501	4.1
189.06078	0.8
190.17487	0.6
191.04007	6.1
197.02940	12.3
199.04509	0.9
203.03996	16.0
208.04512	1.0
215.03995	8.1
218.71736	0.6
219.13731	0.7
221.05075	1.7
227.03986	7.1
233.05054	2.0
239.04160	0.7
245.05063	100.0
246.05209	2.8
257.05093	4.6
263.06116	24.8
269.05466	0.7
275.06088	15.4
275.08908	1.3
286.07773	1.1
290.06665	0.8
293.07269	5.9
305.07147	11.6
306.07443	1.1
317.07013	1.6
335.08310	4.7
335.11728	0.8
347.08176	1.1
365.04495	0.8
365.09320	11.1
383.09946	0.7
425.11316	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	425.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.2
56.96558	20.0
57.03415	2.3
61.02908	1.6
62.06055	0.8
69.03407	3.2
69.81414	4.7
69.81828	1.5
70.98097	1.0
73.02895	3.3
74.97570	0.9
81.03388	1.0
84.79253	0.8
84.96021	5.6
85.02907	6.0
97.02866	3.2
98.97573	60.7
102.97081	1.4
109.02862	1.2
110.97557	10.6
112.99104	2.6
116.07076	1.9
116.98612	30.2
124.99109	1.4
127.03925	1.6
128.98596	21.5
131.00154	6.6
131.01878	1.2
133.03461	1.7
134.99655	11.7
140.00168	1.2
140.98575	3.4
143.00146	11.7
143.01852	1.1
144.98076	3.4
145.04962	1.8
146.99655	14.4
149.01259	5.7
152.98572	10.0
157.03433	0.9
158.99634	11.9
161.01215	13.7
161.02661	1.2
162.99117	3.4
165.00719	2.5
170.99628	13.3
171.04980	1.3
173.01248	3.1
173.02902	1.0
174.99088	1.5
177.00714	9.9
177.04189	1.1
177.05585	0.9
178.04939	3.0
179.02286	2.3
184.04910	1.0
188.01976	0.9
189.00691	8.1
191.02304	2.6
195.01736	1.9
195.74883	0.8
197.02983	0.9
201.00769	3.2
203.02252	2.1
205.04034	0.9
206.02826	0.8
219.01741	25.0
221.03238	1.3
221.05125	1.9
231.07103	1.4
233.03287	8.5
237.02803	48.7
239.04459	1.1
242.03261	1.4
245.05177	2.5
251.04375	100.0
252.04753	2.6
255.03912	5.1
255.06477	0.9
260.04471	1.1
261.02725	1.0
269.02765	2.1
269.05453	33.7
274.06003	4.2
279.03979	2.1
281.05472	1.7
293.05423	3.1
295.06961	0.9
305.05319	5.6
307.06964	1.8
321.10391	6.1
329.09464	1.9
337.07986	2.1
355.08951	2.0
365.07510	45.7
365.11832	1.7
383.08563	49.3
406.10150	3.5
425.09650	37.4
425.14417	1.3
449.10001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.05502	5.5
57.03437	2.7
57.07061	3.7
67.05486	6.4
69.03418	3.5
69.07073	17.2
71.05002	3.0
71.08633	4.7
71.60939	1.5
73.02917	3.0
78.29067	1.5
79.05474	3.7
81.03393	1.8
81.07056	24.0
83.04984	3.3
83.08608	6.6
85.02904	23.4
85.06548	6.2
85.10130	1.9
90.16949	1.3
91.05479	4.6
93.07043	7.0
95.08620	7.7
97.02851	1.9
97.06528	2.6
99.04452	6.5
99.60116	1.8
101.02390	8.4
105.07034	14.4
107.08592	9.7
109.06504	5.6
109.10138	2.4
111.08112	2.4
113.05953	2.5
115.07565	1.5
118.11384	1.3
119.08588	6.5
121.10137	12.9
123.04339	1.7
123.08060	5.7
123.11704	26.6
127.07551	7.8
131.08612	2.4
133.10114	1.7
139.03886	19.0
140.04222	1.9
141.09106	2.2
145.10100	2.6
147.11682	33.9
149.13289	2.4
151.03839	1.8
155.14281	7.6
159.11679	2.6
165.12775	19.2
171.07932	1.9
183.08040	2.1
183.13806	90.0
195.08026	1.9
195.13757	2.5
201.14851	100.0
213.09132	2.1
215.06952	1.6
216.70163	1.5
236.56737	1.7
286.08176	2.2
287.09119	2.0
318.03705	7.3
410.06442	4.5
424.11163	5.5
424.25064	2.3
425.07785	9.0
425.13141	3.4
425.17056	1.8
429.51981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84520	2.8
52.38773	2.4
56.96567	18.1
57.03426	5.3
69.03413	6.2
69.90901	16.6
73.02892	10.5
82.99855	3.5
85.02876	7.4
87.04442	2.8
97.02873	7.9
98.20747	4.9
98.97568	11.1
101.00881	6.2
109.02894	2.7
110.97554	2.7
115.03877	3.9
116.98597	12.5
117.12357	2.7
119.01914	32.2
127.03961	2.9
128.98590	6.7
131.00203	3.2
131.01875	10.3
134.99657	6.1
137.02934	8.3
138.05409	3.9
139.82027	2.4
143.01878	30.3
145.03461	8.2
146.99605	9.0
147.05014	5.1
148.73203	2.4
149.01205	6.3
149.02887	3.4
149.05893	3.7
155.01894	16.2
157.03439	12.0
158.99629	3.8
160.02138	4.8
161.01294	6.5
161.02951	55.1
163.04413	3.2
167.01955	4.7
169.03427	6.6
171.04951	3.8
173.01332	4.3
173.02945	29.4
175.04509	10.8
177.00722	4.5
177.05524	3.5
179.02205	3.2
179.03972	4.3
183.05078	3.4
184.04607	3.0
185.02933	42.4
187.04543	12.3
189.00702	5.2
189.06187	3.9
191.03925	5.2
197.02827	15.1
199.04584	4.0
201.06030	4.0
203.04018	18.6
204.08737	4.0
209.03024	3.4
211.04474	3.2
215.03941	9.4
219.01704	8.6
221.05136	4.5
227.03912	8.6
237.02782	9.6
245.05049	100.0
248.99203	3.2
251.02072	3.0
251.04390	4.4
253.05482	2.7
257.05066	6.7
263.06165	24.4
269.03174	7.7
269.05511	9.4
271.06723	2.7
275.06107	17.4
287.04077	4.0
291.09290	5.6
293.05334	3.0
301.07657	3.7
305.07236	13.3
321.10431	3.6
325.09576	3.2
335.08151	4.6
365.09079	11.1
383.09161	3.2
425.05829	11.7
425.11649	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.8
56.96555	5.4
57.03417	3.4
59.06097	1.9
61.02915	3.0
67.05493	4.6
69.03423	13.2
69.07066	6.3
70.06580	2.3
71.04974	5.7
71.59363	2.6
73.02905	6.8
79.05483	5.2
81.03409	3.8
81.07047	16.7
83.04970	13.4
83.08614	13.8
84.08094	1.8
85.02909	15.7
85.06518	4.0
91.05474	3.6
93.07037	9.6
95.04961	27.2
95.08586	6.0
97.02882	8.0
97.06527	5.0
97.10171	2.1
98.97578	5.6
99.04428	4.7
99.08093	2.6
105.07010	5.7
107.08597	19.3
109.02876	3.0
109.06515	14.1
109.10163	10.4
111.08044	3.6
112.02141	8.7
113.06022	2.0
115.03909	2.5
115.07555	2.1
116.98618	5.8
119.08588	7.0
121.06494	2.2
121.10137	35.3
122.06085	2.0
123.04405	2.0
123.08078	1.9
123.11703	4.8
125.05872	2.3
125.09644	4.3
127.03901	4.9
130.03239	12.8
131.08577	5.9
133.10124	20.2
134.99644	2.2
135.08025	2.1
135.11671	5.6
137.05971	2.9
137.13213	2.2
139.11148	13.4
141.09174	2.7
145.02840	1.7
145.04964	2.3
147.11647	5.0
149.05949	2.5
149.09653	2.1
149.13245	6.2
151.11148	15.8
153.09082	9.8
158.99602	3.8
163.14784	7.7
165.05391	1.9
167.14314	18.4
173.13243	12.8
177.00790	5.2
177.05473	2.7
191.14285	19.6
198.77245	1.6
209.15366	100.0
210.15732	2.2
219.01807	1.7
225.07045	4.0
227.16359	6.8
237.02782	4.3
241.07449	2.7
244.15598	2.6
255.59660	2.4
262.16544	2.2
424.18353	3.0
425.18732	3.0
448.54538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92348	3.9
55.05517	6.2
56.96549	6.7
57.03424	20.2
58.06591	4.5
61.02914	5.7
62.06080	6.2
63.99173	4.3
69.03413	15.9
69.07057	17.0
70.06586	9.3
71.01354	4.9
71.04997	5.3
71.60379	6.4
73.02900	19.7
81.03390	4.6
81.07050	16.9
83.04986	4.7
85.02908	38.6
86.09703	100.0
91.05463	12.0
93.07014	12.2
95.04964	10.4
95.08593	11.9
97.02864	23.7
98.06045	7.3
98.18036	4.4
98.97591	8.3
99.04438	5.1
103.03923	14.1
105.07035	8.2
107.08581	10.3
109.02828	6.8
109.10136	5.1
110.05998	6.1
111.04435	5.4
111.08025	9.8
112.07639	9.7
115.03935	7.4
116.98599	10.1
119.04955	5.3
119.08581	5.3
123.04456	7.6
123.08099	6.5
124.07555	10.6
127.03899	15.4
128.10719	53.2
128.98598	7.2
129.52278	4.3
130.12283	12.4
131.08525	5.2
133.04947	10.3
134.99670	5.6
135.08127	6.0
136.07532	9.9
137.05971	8.2
140.07014	6.1
141.09096	5.4
145.04951	9.0
147.04367	6.0
151.11140	6.1
156.10159	20.9
167.07068	10.2
167.10670	4.7
176.09119	7.5
177.00723	6.7
177.05615	4.5
209.11723	5.3
209.15367	12.0
217.13362	6.1
227.12857	6.9
229.07333	11.3
229.57518	9.8
230.13867	85.4
237.02780	4.4
245.12691	21.7
262.20230	8.0
263.13885	26.0
303.04843	6.3
304.05197	7.2
335.02078	5.0
424.21701	13.9
425.08804	9.8
425.13931	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
56.75436	1.9
57.03431	14.9
59.55468	2.3
61.02913	4.7
62.06071	3.0
63.64030	1.9
65.15638	2.2
65.42944	2.2
67.05491	4.4
69.03426	10.0
69.07059	12.0
69.39689	2.4
70.06576	6.4
70.13849	9.9
71.04970	4.3
72.08147	7.5
73.02917	21.9
81.07038	2.9
83.04956	3.7
84.08118	2.8
85.02899	19.1
85.06530	3.3
86.09711	4.8
91.05471	6.5
93.07022	2.3
95.04971	4.0
95.08600	7.1
97.02850	10.7
97.06521	2.8
98.21521	1.8
98.97614	2.5
105.07035	3.5
107.04984	3.4
110.09678	4.2
112.07576	3.5
112.11246	16.2
113.09653	7.7
114.12794	2.9
115.03908	7.0
116.98594	2.9
121.10129	3.0
127.03938	5.5
128.10738	4.5
128.98462	2.2
130.08640	6.7
130.12268	54.4
133.04971	4.2
136.07504	2.4
137.05977	3.9
141.09067	3.7
145.04973	3.6
149.01237	2.3
152.07028	2.3
153.71246	2.4
163.05986	3.3
167.06995	5.0
174.07608	4.3
176.05621	2.7
176.09206	7.3
206.10272	4.4
209.15329	5.3
244.09567	2.7
259.61374	2.4
262.10794	2.8
263.08899	3.2
268.19113	2.5
274.04214	5.7
292.17450	9.2
293.09695	2.6
304.05338	3.0
388.07343	2.8
388.12000	3.6
406.13226	6.1
407.07626	3.3
424.16241	3.7
424.21634	50.6
425.08777	8.6
425.13995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07920	0.7
53.03927	1.2
54.55579	0.8
55.01866	1.0
55.05499	1.1
56.05036	0.8
56.96548	2.1
57.03420	1.9
58.06602	1.0
60.08154	4.2
61.02917	1.8
62.38400	0.9
67.04239	1.8
67.05489	0.8
69.03416	4.7
69.07056	1.8
70.06598	0.8
71.61411	1.0
73.02903	2.2
79.05494	1.3
80.24834	0.8
81.03403	2.6
84.04516	1.1
85.02898	15.7
85.06517	1.0
86.03207	0.9
87.04456	1.0
91.03972	1.0
91.05463	3.1
93.07033	2.6
94.96803	0.8
95.04976	1.5
97.02872	5.8
98.97565	4.1
99.04414	1.5
101.04256	3.7
102.04602	1.7
103.03906	1.1
103.05450	4.7
105.06993	1.7
107.04955	2.9
109.02870	2.8
112.13679	0.8
116.98595	2.6
117.03268	0.9
119.01962	0.7
119.04914	1.0
120.97719	0.9
121.06480	7.5
123.04405	3.1
124.05199	1.5
125.01708	3.2
126.90730	0.8
127.03909	3.4
128.98618	1.1
131.04929	5.2
133.02808	1.8
133.06476	1.0
134.99603	2.0
137.05972	7.9
140.04713	1.3
140.07089	1.9
141.01111	1.5
142.08638	2.5
143.01804	1.0
143.02763	2.0
145.02779	1.4
145.04958	3.1
146.99615	1.3
147.04385	2.8
148.05179	1.7
149.05969	13.6
153.05730	1.7
155.07031	1.9
158.99677	1.8
159.02225	1.8
159.04424	3.6
161.01344	1.0
161.02919	1.3
161.04662	2.0
161.05965	1.1
163.03911	1.1
167.07028	100.0
168.07455	1.0
170.05171	1.3
172.04291	5.5
173.04587	3.8
174.03749	0.9
176.04727	1.1
177.00693	1.3
177.05457	30.2
178.06094	1.3
179.07030	1.1
180.07764	1.1
181.08481	1.1
187.01703	1.4
191.07111	1.9
193.08607	2.3
194.05695	1.3
197.08107	1.3
202.10081	2.1
209.08081	24.8
211.07570	0.8
211.09561	3.4
215.05658	1.0
221.33548	0.8
227.09119	57.1
228.09496	2.0
233.06819	2.6
237.02789	2.9
245.04871	1.8
246.09032	2.5
262.09271	1.1
273.06210	1.0
284.10297	1.8
321.08759	1.1
347.35190	1.0
424.14587	9.7
425.14560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.05508	4.1
56.20433	0.8
57.07077	1.5
67.05500	6.6
69.07061	9.6
71.12060	1.3
79.05489	4.4
81.07054	18.7
83.08629	4.6
84.78305	0.8
91.05454	4.2
93.07047	12.5
95.08601	23.0
97.06499	0.9
97.10155	2.5
104.56157	0.9
105.07016	8.8
107.08585	17.0
109.06511	1.0
109.10155	12.8
111.11729	2.3
117.06988	1.2
119.08575	14.4
121.06496	1.1
121.10136	13.5
123.11697	8.7
129.90620	0.9
131.08549	4.0
133.10124	10.9
133.94925	0.8
135.08078	1.2
135.11694	9.2
137.13243	6.8
143.08559	2.3
145.10123	5.2
147.11691	9.7
149.13240	7.3
155.08524	1.1
157.10132	4.9
159.11707	6.8
161.13235	11.0
163.14828	3.0
165.12746	1.1
169.10170	1.5
171.11703	4.6
173.13257	6.4
175.14819	4.6
177.16402	1.6
179.14381	1.1
183.11641	1.1
185.13258	3.2
187.14783	3.4
189.16377	3.0
191.17987	4.5
197.13263	1.7
199.14853	3.5
201.16354	3.9
211.14836	2.7
213.16415	4.1
215.18025	3.3
217.19511	1.2
219.17441	2.5
225.16338	1.5
227.17908	2.3
229.19507	1.9
231.17430	1.1
239.17961	1.4
241.19519	2.7
243.21121	2.6
245.22629	1.7
255.21213	2.9
257.22678	4.8
259.20544	2.5
267.21051	3.6
269.22729	4.4
271.24216	3.2
283.24054	4.3
285.22168	3.7
295.24316	1.3
297.25763	2.5
309.25876	2.4
313.25357	1.0
321.25909	1.0
335.27258	1.8
377.31891	0.9
405.35138	22.6
406.35513	1.1
423.36215	100.0
424.36505	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
55.05504	11.6
67.05508	13.7
69.07073	29.4
69.65277	8.7
69.65697	11.4
79.05492	6.8
81.07047	34.4
82.02851	2.5
83.08611	9.1
91.05460	9.7
93.07018	17.3
95.08609	59.0
97.10146	6.6
98.21467	5.9
105.07024	19.7
107.08590	38.0
109.10143	35.2
110.10526	2.7
114.42264	3.1
117.06986	3.9
119.08570	31.0
121.10137	36.6
123.08038	4.5
123.11718	23.8
129.06996	3.6
131.08554	8.0
133.10112	25.5
135.11722	17.2
137.13243	9.3
143.08549	6.7
145.10132	12.5
147.11722	16.4
149.13315	7.9
151.14783	3.2
157.10121	12.4
159.11682	22.1
161.13252	14.6
163.14796	5.4
169.10129	3.8
171.11691	9.9
173.13260	13.6
175.14819	7.5
177.16429	6.2
179.14354	5.9
179.79668	3.0
183.11726	5.5
185.13287	6.2
187.14761	6.9
189.16411	22.2
191.17955	10.1
197.13350	7.0
199.14818	10.3
201.16385	8.7
203.17903	5.6
211.14726	3.8
213.16431	7.9
215.18027	5.6
217.15875	4.5
217.19498	9.8
219.17511	6.4
227.17966	4.0
229.47278	2.9
239.14900	2.9
239.17923	3.5
241.19490	6.4
243.21338	3.2
245.18869	4.1
253.19553	3.0
255.21065	4.6
267.21112	5.1
269.22568	3.6
285.22147	2.7
295.24124	6.2
309.08194	3.0
309.25879	3.6
321.25812	4.9
327.26654	4.6
335.27490	3.7
337.28973	11.1
339.23059	3.1
405.35110	45.2
423.36249	100.0
424.36737	7.8
444.43979	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36317	0.7
53.03940	0.9
55.05504	7.4
57.07083	3.5
57.07328	0.8
67.05505	9.8
69.03390	0.8
69.06712	1.5
69.07065	17.6
69.07446	1.0
71.08620	0.8
71.62714	1.1
71.63122	0.9
72.08150	2.2
79.05474	6.7
81.07052	26.6
82.07358	0.7
83.08608	7.8
85.10231	0.8
91.05470	6.8
93.07040	20.8
95.04986	1.6
95.08601	52.5
97.06512	1.2
97.10155	3.4
99.08107	1.2
105.07021	18.5
107.08589	41.0
109.10150	33.1
110.10434	0.7
111.08077	1.7
111.11695	3.0
117.07048	1.9
119.08574	31.6
121.10139	31.6
121.11028	1.3
123.08070	1.6
123.11700	17.7
129.07056	2.1
131.08562	7.5
132.08978	1.2
133.10124	27.8
135.08076	1.0
135.11682	28.0
135.12708	1.7
137.09637	1.0
137.13239	7.3
143.08546	4.3
144.04182	0.7
144.09348	0.9
145.10109	18.2
147.11687	21.3
148.12073	1.1
149.13248	10.2
151.14793	2.5
156.09401	1.0
157.10124	8.3
158.10950	1.0
159.11687	21.4
161.13240	17.3
162.13631	0.8
163.14815	12.1
165.12782	1.1
167.14342	0.9
169.10092	1.4
170.10905	1.1
171.11679	8.7
173.13237	16.8
174.13963	1.6
175.14842	12.9
177.16386	17.0
179.14317	5.2
179.17984	1.7
183.11661	1.7
185.13235	7.8
186.13924	1.0
187.14825	9.6
189.16380	24.9
191.17989	6.3
193.15921	0.9
195.11621	1.0
197.13266	1.9
199.14795	7.9
200.15421	1.5
201.16408	6.8
203.17950	15.6
205.15971	1.1
205.19518	0.7
207.17410	3.0
209.13332	0.8
211.14793	2.1
213.16380	8.8
214.16988	1.1
215.17969	12.8
217.16010	1.1
217.19507	9.7
219.17470	2.1
225.16469	2.0
227.17900	5.9
229.19478	16.1
231.17369	1.4
231.21083	1.4
233.19057	1.7
239.17921	1.9
241.19493	6.8
243.21088	23.2
244.21460	1.0
245.22643	11.3
247.20605	2.3
251.18306	0.8
253.19470	2.4
255.21074	7.4
257.22638	8.6
259.20526	1.3
261.22339	1.3
267.21182	5.5
269.22629	30.2
270.23083	1.6
271.20953	1.0
271.24146	4.1
279.21115	1.0
281.22672	2.1
283.24197	8.5
285.22034	1.7
295.24219	3.1
297.25922	1.5
309.25748	2.7
313.25424	1.0
321.25711	2.0
327.26846	2.1
335.27286	2.1
337.28845	1.4
349.29034	1.5
353.28467	0.9
362.29584	0.9
405.35117	31.1
406.35703	1.7
423.36230	100.0
424.36679	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	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
52.09156	0.6
55.05496	2.1
57.07064	1.6
64.58868	0.6
67.05501	3.0
69.07074	7.1
70.73714	1.4
70.74102	1.6
76.37553	0.8
79.05470	2.9
81.07058	9.7
83.08624	1.9
91.05492	3.3
93.07036	7.6
95.04965	1.1
95.08043	1.2
95.08607	14.0
97.10181	1.5
101.93166	0.7
105.07036	7.9
107.08596	10.4
109.06509	1.1
109.10150	9.3
111.11697	2.2
117.07006	1.4
119.08591	9.5
121.10149	10.3
123.11702	7.2
125.13232	0.7
131.08569	2.8
133.10121	7.7
135.11688	5.9
137.13220	4.1
143.08546	1.5
145.10114	4.0
147.11681	8.2
149.13257	3.6
151.11186	1.5
151.14822	0.8
157.10132	3.6
159.11687	4.6
159.96379	0.6
161.13252	10.9
163.14868	1.2
165.12872	1.3
169.10136	1.2
171.11646	3.3
173.13190	3.7
175.14822	4.0
179.14226	1.2
183.11633	1.1
185.13252	2.9
187.14841	2.9
189.16373	1.5
197.13284	1.6
199.14810	2.6
201.16396	2.0
211.14836	1.5
212.15544	0.7
213.16281	1.7
215.17763	0.7
225.16228	0.8
227.17958	0.9
231.21013	0.8
239.17867	1.5
241.19360	1.2
243.21101	1.2
245.22664	3.2
253.19514	1.3
255.21089	1.0
257.22736	3.6
267.21127	4.7
269.22687	3.0
271.24197	3.7
272.95926	0.7
279.21136	0.6
281.22659	1.4
283.24170	5.5
285.22171	2.4
295.24469	0.9
297.25854	1.5
309.25739	1.7
321.26086	0.8
335.27371	1.1
346.51151	0.9
353.28445	1.1
354.48425	0.8
405.35123	16.0
406.35471	1.1
423.36206	100.0
424.36584	6.4
443.50378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.98232	0.2
53.03922	0.3
55.05505	2.1
57.07055	1.0
67.05222	0.2
67.05512	2.5
69.03426	0.5
69.06721	0.3
69.07068	5.1
69.67445	2.0
71.08624	0.3
79.05476	1.5
81.07056	8.3
83.08611	1.5
86.29678	0.2
91.05490	1.5
93.07042	4.8
95.04976	1.7
95.08605	13.0
96.08892	0.3
97.10166	1.2
98.21375	0.5
105.07027	3.0
107.08588	10.1
108.08892	0.2
109.06495	1.1
109.10154	6.7
111.08060	0.3
111.11720	1.5
117.07027	0.3
119.08574	4.9
119.09310	0.2
121.06493	1.1
121.09301	0.5
121.10136	7.1
122.10429	0.3
123.08076	0.9
123.11710	4.3
125.13309	0.4
131.08597	1.2
133.10109	3.7
135.08067	2.1
135.11674	5.0
137.09605	0.3
137.13255	4.1
143.08591	0.6
145.10107	1.9
147.07951	0.4
147.11707	2.3
149.09601	1.6
149.13255	7.0
151.11174	0.3
151.14781	0.7
157.10110	1.2
159.11699	2.2
161.09631	1.2
161.13268	2.4
163.11156	0.9
163.14868	1.4
165.12694	0.3
171.11693	1.1
173.09619	0.3
173.13257	1.6
175.11205	1.3
175.14810	1.7
177.12672	0.3
177.16418	1.7
179.14302	0.3
183.11713	0.6
185.13257	1.0
187.11171	0.8
187.14810	1.1
189.12714	0.7
189.16391	3.2
191.17952	3.4
197.08504	0.3
197.13184	0.5
199.14856	1.6
201.12701	0.6
201.16380	1.1
203.14212	0.4
203.17935	0.7
205.15895	0.4
205.19498	0.6
211.14825	0.8
213.16356	1.0
215.14310	0.3
215.17967	1.9
217.15872	2.5
217.19386	0.6
219.17389	1.7
223.75334	0.2
225.16339	0.5
227.17950	0.8
229.19499	0.9
231.17435	1.1
231.21040	0.5
233.19016	0.8
239.17947	0.6
241.19481	1.9
243.21027	0.8
245.19032	0.6
253.19606	0.7
255.21025	1.3
257.22699	0.8
259.20648	1.4
267.21194	1.4
269.22571	0.9
271.20483	0.5
271.24374	0.4
273.22113	1.4
281.22656	0.5
285.22113	4.4
286.22552	0.4
287.23553	0.4
295.24234	0.6
299.23630	0.4
313.25403	0.6
321.25650	0.5
327.26785	0.6
335.27286	0.4
339.26794	0.6
349.28986	0.3
353.28342	0.6
363.30609	0.3
367.30161	0.4
405.35181	4.4
423.36197	100.0
424.36548	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	423.3617
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05499	10.0
57.07067	4.4
60.50046	1.6
67.05488	15.9
69.07057	18.7
71.51862	3.8
78.96485	2.1
79.05482	7.3
81.07045	34.2
83.08606	7.0
91.05477	6.2
93.07034	20.3
95.08595	54.0
97.10147	5.4
105.07022	17.0
105.93215	1.7
107.08588	38.2
109.06480	3.3
109.10139	43.5
111.08132	1.7
111.11710	5.0
111.61251	1.6
117.07030	4.0
118.98568	1.6
119.08571	31.4
121.10121	34.6
123.08098	4.1
123.11687	22.1
125.13287	1.9
128.06197	1.7
128.66589	1.6
129.06999	2.5
131.08583	9.2
133.10118	30.4
135.11678	18.2
137.09554	2.2
137.13240	12.8
143.08551	4.9
145.10115	17.2
147.11652	22.0
149.13217	12.7
151.14850	2.7
155.08505	2.6
156.09311	2.5
157.10127	8.5
159.11673	21.8
161.13261	17.2
163.14792	8.9
169.10191	3.0
171.11644	9.9
173.13237	14.1
175.11247	2.2
175.14781	16.4
177.16367	10.3
179.14333	5.7
183.11716	4.4
184.12363	1.5
185.13237	8.9
187.14731	11.6
189.16347	19.0
191.17961	11.9
193.15791	3.9
193.19641	3.1
197.13248	5.7
199.14844	10.5
201.16386	7.0
203.18016	4.4
205.15878	3.9
205.19456	2.2
211.14847	5.8
213.16344	11.7
215.18033	6.2
217.15880	4.6
217.19543	5.5
219.17467	4.1
225.16312	4.8
227.17976	5.8
229.19545	6.8
231.17445	7.0
231.21082	4.3
239.17891	3.1
241.19537	5.6
245.19080	3.7
245.22580	3.5
253.19511	2.4
255.21028	5.7
259.20560	3.8
267.21072	4.8
269.22659	5.0
271.24081	2.0
281.22678	2.6
285.22113	4.9
295.24240	4.1
297.25821	2.0
309.25757	7.6
311.27271	2.0
313.25180	2.1
321.25757	4.4
323.27374	6.1
327.26843	5.8
335.27316	7.4
337.28821	1.9
339.26889	3.4
363.30399	2.7
405.35074	76.5
406.35425	4.2
423.31546	6.6
423.36227	100.0
424.36661	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	4.0
55.05507	11.8
57.07067	6.4
67.05500	29.7
69.03428	3.8
69.07070	25.0
69.28803	3.1
71.04967	4.4
71.61397	4.8
79.05493	25.8
81.03416	4.3
81.07056	60.2
83.04975	5.0
83.08604	11.8
90.16946	2.9
91.05492	20.1
93.07040	41.8
94.67820	2.9
95.04939	8.1
95.08610	81.4
97.06513	5.8
97.10179	5.8
105.07021	33.2
107.08598	54.1
109.10153	56.6
110.57568	3.0
111.08109	4.6
117.07030	8.3
119.08580	46.2
121.10135	47.9
123.08063	10.5
123.11721	28.4
131.08583	16.7
133.10139	31.8
135.08006	5.3
135.11691	36.4
137.09601	3.4
137.13260	16.1
143.08566	10.1
145.10150	22.0
147.11668	28.1
149.13246	24.3
157.10141	10.9
159.11685	24.3
161.09578	3.7
161.13249	19.7
163.14842	11.4
165.12761	3.2
169.10159	5.7
170.10892	3.3
171.11705	13.2
173.13260	14.6
175.14842	19.3
177.16396	10.0
179.14433	4.2
183.11691	5.4
185.13252	9.7
187.14783	12.3
189.16359	22.6
191.14366	3.3
191.17920	17.3
199.14854	10.6
201.16382	13.6
203.17966	11.4
205.19501	17.8
211.14766	4.7
213.16441	8.3
215.17947	15.9
217.15880	7.8
217.19496	5.0
219.17433	9.5
227.18004	7.1
229.19585	7.4
233.18979	12.1
241.19398	5.9
242.08734	3.5
242.88229	3.4
243.21063	4.8
245.22632	4.2
255.21098	5.1
257.22586	5.4
261.22250	5.5
267.21216	6.0
269.22714	9.0
303.23376	3.4
309.22034	3.1
321.26001	3.2
327.23090	4.2
331.26016	4.3
405.35629	16.5
423.27295	4.6
423.36588	100.0
424.36560	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54514	0.9
53.03915	0.9
55.05511	7.0
57.03422	3.0
57.07064	4.5
61.81840	1.0
67.05497	16.5
69.03410	4.0
69.07063	12.1
71.04995	1.9
71.08614	3.6
71.57214	0.9
72.69157	0.8
79.05488	12.2
81.03402	4.5
81.07055	24.8
83.04978	2.3
83.08607	5.2
85.02898	1.1
85.06537	3.3
91.05470	11.1
93.07033	18.0
95.04974	3.4
95.08607	20.1
97.02887	1.9
97.06528	3.8
97.10171	2.6
99.08092	2.4
105.07018	12.9
107.08582	14.2
109.06507	14.4
109.10147	11.7
111.08076	1.4
117.06998	5.2
119.08565	12.8
121.06514	2.8
121.10131	11.9
123.08062	31.4
123.11703	4.3
129.06999	1.5
131.08540	6.7
133.06544	1.3
133.10120	8.8
135.08075	8.3
135.11668	7.4
137.09642	2.9
137.13269	2.9
141.06905	1.1
143.08569	3.4
144.91661	1.0
145.10094	7.7
147.11687	7.2
149.09612	2.4
149.13251	4.4
151.11234	1.4
155.08554	1.3
157.10176	3.1
159.11707	6.2
161.13283	5.4
163.11089	1.5
163.14917	2.1
165.12698	1.5
167.14235	1.0
169.10168	1.2
171.11696	2.4
173.13319	5.7
175.11130	1.4
175.14824	2.4
177.12769	3.2
177.16293	1.1
179.14304	60.7
180.14658	1.7
185.13277	1.6
187.14812	3.5
189.16370	1.6
191.17801	1.2
193.15913	3.3
199.14828	1.1
201.16425	2.5
203.17982	2.4
205.15901	3.4
211.14859	1.7
213.16431	1.8
213.43027	1.1
213.45076	1.0
217.19319	1.3
219.17241	1.0
225.16437	1.2
233.15550	1.4
233.18982	2.0
259.20581	1.4
261.22119	2.2
275.20093	2.5
289.25055	1.3
303.23187	2.7
303.26627	1.5
331.22324	1.8
331.26291	24.9
331.30072	2.1
332.25815	0.9
341.24823	1.5
349.27371	6.8
351.23267	1.8
369.24194	2.8
387.25439	3.6
394.17233	1.2
405.26352	3.9
405.30869	1.3
423.31110	100.0
423.35864	5.2
424.26578	1.0
424.31189	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01847	1.0
55.05268	0.3
55.05510	4.4
57.03438	1.7
57.07074	4.6
65.03918	0.4
65.75691	0.4
67.05175	0.4
67.05503	7.3
69.03404	0.7
69.07067	5.5
71.00749	0.4
71.01087	0.8
71.04974	1.1
71.08630	4.4
73.02933	0.4
79.05489	5.5
81.03410	0.5
81.06581	0.8
81.07055	13.3
83.04963	0.9
83.08611	2.5
85.02888	0.8
85.06532	2.6
91.05482	4.3
93.07042	8.5
95.04958	1.6
95.08602	11.5
96.08939	0.3
97.02891	2.8
97.06540	2.0
97.10166	1.0
99.04433	1.3
99.08081	2.0
105.07031	5.6
107.08594	6.7
109.02879	0.5
109.06519	17.3
109.10154	4.6
111.08050	1.2
111.11710	0.4
117.06985	0.7
119.08587	5.8
121.06471	1.1
121.10141	5.8
122.07262	1.6
123.08065	29.7
123.11691	1.8
124.08323	0.5
125.09623	0.5
127.03884	0.8
131.08546	2.3
133.10133	4.3
135.08049	6.4
135.11702	3.0
137.09633	1.8
137.13242	1.2
139.11093	0.4
143.08557	0.8
145.10114	3.4
147.11699	3.0
149.09612	1.7
149.13269	2.3
151.11205	0.9
155.08562	0.5
157.10130	1.1
159.11708	3.0
161.09590	0.8
161.13300	2.1
163.14838	1.0
165.12753	1.0
167.14307	1.1
169.10095	0.5
171.11664	0.7
173.13274	1.1
175.11115	0.5
175.14827	1.3
177.12730	1.6
177.16391	0.4
179.14307	75.0
180.14667	1.7
187.14824	0.7
189.16376	0.7
191.14313	1.3
191.17947	0.4
193.15834	2.1
199.14871	0.5
201.16432	0.4
203.17937	0.7
205.15854	3.1
215.17947	0.8
219.17328	0.6
231.44496	0.5
233.19003	0.9
261.22098	0.9
263.20062	0.8
275.20038	1.3
289.25165	0.9
293.21152	1.0
303.26822	1.7
313.25357	1.2
331.26303	27.3
332.26675	1.1
349.27362	6.3
367.24786	0.8
405.30087	1.2
423.31061	100.0
424.31439	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01847	9.1
55.05505	27.0
57.03423	9.2
57.07057	5.0
65.03925	3.8
67.05501	100.0
69.03428	35.6
69.07065	36.4
69.63497	23.2
71.01331	4.1
71.04970	8.7
73.02892	3.6
77.09987	2.7
79.05485	63.5
81.03415	41.5
81.06569	5.6
81.07050	93.3
83.04963	12.5
83.08621	18.3
85.02885	18.4
85.06525	5.3
91.05476	57.5
93.07034	76.8
95.04942	20.1
95.08601	78.9
97.02889	16.7
97.06505	11.8
97.10128	7.2
98.34113	3.0
99.04447	8.7
99.08093	6.3
105.07021	61.3
107.04920	8.5
107.08594	49.8
109.02856	5.9
109.06512	11.0
109.10152	45.5
111.04423	11.6
111.08080	7.2
115.03909	6.6
115.05481	4.4
117.07018	34.3
119.08583	51.6
121.06477	10.8
121.10138	46.2
123.04465	5.6
123.08052	10.2
123.11694	14.3
125.09633	6.9
126.73650	2.8
127.03904	5.9
128.06218	7.7
129.05489	6.6
129.07008	17.5
131.08554	44.5
133.06479	5.3
133.10106	48.3
135.07976	7.2
135.11682	26.9
137.05931	4.1
137.09575	9.2
137.13239	6.6
139.11121	5.5
142.07814	4.1
143.08549	16.4
145.06496	8.3
145.10103	37.4
147.08023	8.0
147.11687	28.3
149.09593	9.7
149.13245	22.0
151.07474	5.1
151.11192	5.1
155.08528	9.5
157.10135	20.8
159.08127	5.8
159.11678	37.6
161.09622	5.1
161.13239	27.8
163.11145	6.2
163.14827	9.8
167.08459	3.3
169.10121	10.4
171.08015	5.5
171.11719	15.0
173.09628	4.6
173.13292	23.7
175.11163	8.3
175.14862	5.2
177.12735	4.7
179.14301	4.4
181.10144	5.3
183.07843	2.8
183.11696	8.9
185.13263	18.2
187.14809	11.1
189.12747	3.6
189.16463	4.7
197.13187	8.0
199.11182	6.8
199.14771	7.4
201.12749	4.4
201.16319	7.5
203.17894	4.3
207.11751	3.2
211.14729	4.5
213.12726	4.9
213.16344	4.3
215.17874	4.7
217.15865	3.7
221.15392	3.2
227.14323	3.0
233.15280	3.4
241.19604	7.5
243.21022	5.3
259.20520	17.0
261.16196	3.0
261.22174	23.0
273.22076	6.4
275.20251	2.7
277.21594	8.7
285.22015	5.8
289.21732	4.1
291.23227	8.8
299.23898	4.1
301.21582	8.6
303.23215	22.6
315.23141	6.2
319.22650	9.9
327.23032	4.4
331.22501	4.6
341.24655	5.6
345.23941	7.4
351.23172	8.9
359.25815	7.0
369.24158	47.0
387.25259	50.6
405.26361	42.0
423.26907	27.5
423.32080	5.7
423.36295	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16962	3.5
51.97389	3.9
53.03954	6.8
55.01855	8.6
55.05513	29.5
57.03424	8.9
57.07065	7.7
65.03928	9.6
67.05504	83.8
69.03430	36.1
69.07067	29.7
69.51454	20.2
69.51870	15.1
71.01344	4.4
71.04979	6.8
71.08647	4.4
79.05488	72.2
81.03419	40.3
81.07053	96.7
83.04959	14.3
83.08617	15.1
85.02892	26.3
85.06551	5.5
85.41719	5.1
91.05476	58.9
93.07040	100.0
95.04945	24.7
95.08599	88.1
97.02900	23.1
97.06512	8.5
97.10210	8.4
99.04433	9.4
103.03938	6.4
103.68166	4.9
105.07012	60.4
107.04944	5.5
107.08581	57.1
109.02873	7.7
109.06512	11.1
109.10142	31.5
111.04411	13.4
111.08067	5.7
115.05487	6.2
117.07026	30.7
117.62574	3.9
119.08582	55.9
121.06506	5.9
121.10150	46.3
123.08057	13.5
123.11683	14.8
125.05994	5.7
127.03910	7.4
129.06978	9.6
131.08566	30.0
133.06487	5.7
133.10117	42.8
135.08047	9.1
135.11684	34.7
137.09625	5.5
137.13222	11.7
138.99489	4.2
142.07712	6.1
143.08595	14.5
145.06447	4.7
145.10120	40.4
147.08096	7.0
147.11667	39.9
149.09616	7.8
149.13234	18.9
155.08589	5.5
157.10092	16.0
159.11696	29.8
161.09673	5.6
161.13277	20.6
163.14836	9.7
169.10069	6.5
171.11685	14.0
173.13248	18.8
175.11145	4.8
175.14902	5.4
179.14311	11.4
183.11618	10.3
185.09613	4.5
185.13237	12.5
187.14839	9.4
187.64896	4.1
189.12784	6.2
195.11745	6.6
195.13716	4.6
196.34303	4.4
197.13232	7.6
199.11055	5.7
199.14906	4.8
201.12694	7.6
201.16284	8.1
203.14488	4.1
203.17972	5.9
205.12228	6.7
213.16396	7.0
215.14447	5.0
217.15884	5.4
233.15489	11.9
241.19614	6.2
243.21098	6.3
259.20584	11.8
261.22137	36.0
273.22266	6.1
277.21631	14.1
291.23337	5.7
301.21637	7.4
303.23154	15.3
306.98566	4.8
315.23163	10.3
327.23221	9.9
331.22705	4.4
341.24838	4.6
345.24216	11.4
351.23209	10.7
369.24203	38.4
372.96579	4.6
387.25290	32.4
405.26358	45.2
423.26712	35.8
423.32303	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	423.2734
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03938	10.3
55.01871	4.9
55.05507	33.0
57.03436	8.4
57.07055	6.2
65.03947	7.2
67.05502	87.3
68.07834	4.4
69.03423	42.9
69.07059	25.0
70.07896	9.5
70.08317	14.6
71.04986	14.8
79.05488	68.2
81.03414	41.8
81.07051	100.0
83.04980	13.1
83.08614	15.4
85.02908	22.5
91.05473	66.1
93.07035	85.7
95.04961	22.5
95.08601	78.1
97.02905	20.0
97.06538	7.7
97.10170	5.1
98.21622	3.7
99.04440	11.8
103.03994	4.7
105.04524	4.3
105.07021	51.5
107.04972	5.8
107.08595	45.8
109.02888	9.7
109.06521	9.4
109.10153	43.6
111.04426	5.1
111.08107	6.6
115.05505	4.6
117.07019	22.1
119.08562	49.6
121.06521	8.3
121.10134	44.2
123.08053	10.1
123.11712	17.3
127.03938	8.6
129.05479	4.4
129.06990	11.8
131.08566	42.5
133.06490	6.6
133.10129	32.8
135.08073	11.9
135.11684	34.7
137.09616	5.9
139.11156	4.2
141.06995	3.9
143.08548	13.4
145.10114	26.7
145.13747	4.8
147.08051	9.9
147.11676	23.5
149.13254	17.7
155.08517	6.0
157.10121	10.4
159.11670	26.0
161.09541	5.7
161.13272	10.7
163.11143	4.5
163.14795	9.8
167.08592	4.9
169.10080	7.5
171.11690	15.2
173.13243	19.5
175.14911	8.8
185.13255	11.4
187.14748	6.6
195.11838	4.3
195.13861	6.0
197.13188	5.6
199.14897	7.7
241.19435	5.2
243.20978	6.7
259.20566	12.0
261.22165	35.4
277.21597	8.9
289.21570	7.9
301.21664	6.7
303.23248	11.2
313.21713	6.0
315.23270	6.0
341.24921	5.9
345.24213	7.0
351.23151	7.6
369.24271	29.1
387.25244	33.2
405.26309	38.7
423.27460	35.3
423.32016	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	423.2737
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03944	7.5
53.38588	4.0
55.01860	14.6
55.05505	32.7
57.03426	10.8
57.07066	5.9
62.28406	4.2
67.05166	7.5
67.05501	100.0
67.09164	4.2
69.03430	35.9
69.07069	43.1
69.86313	4.1
70.86101	13.9
71.04980	9.8
79.05489	62.5
81.03409	42.4
81.07050	99.6
83.04974	12.8
83.08605	21.1
85.02898	16.6
91.05469	62.1
93.07038	81.6
95.04970	18.2
95.08604	98.0
97.02882	18.3
97.06548	10.6
97.10188	7.8
99.04450	9.0
103.03931	6.2
105.07028	68.4
107.04961	12.4
107.08585	69.9
109.02892	12.1
109.06536	13.4
109.10149	45.4
111.04443	9.8
111.08047	4.8
115.03905	6.7
117.07019	28.6
119.08571	61.6
121.06494	7.0
121.10131	38.8
123.08081	8.2
123.11687	19.3
127.03951	8.8
129.05486	5.6
129.06966	10.3
131.08548	43.1
133.06488	5.6
133.10095	47.7
135.08064	9.2
135.11693	34.8
137.05948	8.4
137.09631	5.5
137.13243	4.5
141.06992	5.5
143.08560	21.2
145.06340	5.0
145.10107	44.1
147.08034	4.6
147.11671	33.8
149.09630	8.5
149.13258	19.5
155.08586	7.0
157.10126	20.5
159.11681	30.8
161.09610	6.2
161.13217	21.1
163.11157	4.7
163.14819	11.9
169.10147	10.7
171.11743	13.5
173.09615	5.1
173.13263	23.6
175.14844	6.6
177.12651	5.2
183.11662	5.8
185.09663	6.0
185.13203	20.3
187.14812	17.3
189.12834	9.5
189.16518	5.3
197.13203	6.1
199.14740	9.8
201.12672	4.9
201.16368	8.5
209.13382	5.0
213.16582	5.7
215.17908	6.3
217.15881	4.5
227.14279	5.1
241.19484	6.4
243.21089	8.2
259.20477	8.7
261.22095	13.8
277.21674	5.4
291.23102	8.9
301.21741	9.6
303.23184	25.2
319.22845	6.4
341.25128	6.0
345.24280	10.3
351.23010	9.3
359.46368	4.8
369.24326	38.0
387.25214	47.5
405.26303	47.7
405.35098	6.6
417.63116	4.7
423.27191	25.0
423.36594	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	4.6
53.03954	5.6
55.01866	6.9
55.05507	29.7
57.03429	5.9
57.07063	13.8
67.05167	6.2
67.05502	86.9
69.03423	30.7
69.07066	35.0
71.04986	9.2
71.06118	10.1
73.02909	6.4
73.29086	4.8
79.05491	67.4
81.03419	39.5
81.06580	5.6
81.07052	100.0
83.04958	14.1
83.08601	14.7
85.02901	16.7
85.06561	8.5
91.05474	53.8
93.07045	72.0
95.04958	14.4
95.08601	99.5
97.02882	18.2
97.06498	6.7
97.10173	13.6
99.04464	10.9
99.08106	4.5
103.03939	7.3
105.07025	63.2
106.90516	4.4
107.04900	7.7
107.08598	68.0
109.02853	6.8
109.06542	11.7
109.10159	47.5
111.08105	10.0
117.06992	26.0
119.08576	59.9
121.06486	7.6
121.10120	56.7
123.04409	4.6
123.08049	13.4
123.11693	24.9
127.03915	5.1
129.07013	16.1
131.08566	40.4
133.06502	11.3
133.10117	46.9
135.08072	11.1
135.11671	35.0
137.09619	7.0
137.13232	20.9
139.11128	5.9
143.08539	19.1
145.10112	44.1
147.08090	5.6
147.11699	34.0
149.09608	7.0
149.13266	22.0
150.46152	4.3
155.08525	8.7
157.10062	21.0
159.08055	6.0
159.11667	37.4
161.09663	6.3
161.13240	25.5
163.11201	7.5
163.14806	13.0
169.10126	11.0
171.11682	21.4
173.13245	30.4
175.11240	4.6
175.14819	7.7
177.12645	6.1
183.11678	11.9
185.13275	16.3
187.11234	6.0
187.14828	15.5
189.12801	6.9
189.16403	9.1
191.14264	5.9
191.17934	7.9
195.11847	4.3
197.13156	7.7
199.14801	15.5
201.16374	13.4
203.18044	10.1
211.14803	7.7
213.16393	8.0
215.18053	7.7
217.19453	6.1
219.17409	5.7
225.79768	5.2
241.19467	6.0
243.21092	9.3
259.20593	8.1
261.22104	14.1
266.36819	4.3
277.21667	8.2
285.22189	7.2
291.23199	9.6
301.21481	11.1
303.23193	19.9
315.23172	9.6
317.17554	7.9
327.23416	6.1
335.18845	8.6
341.24649	11.0
345.24225	10.8
351.23029	12.3
359.26050	8.2
369.24182	35.1
380.55475	4.8
387.25189	39.2
405.26318	48.5
405.35144	7.9
423.27563	25.3
423.36749	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18447	3.5
53.03934	10.9
55.01863	4.6
55.05504	30.6
57.03415	11.0
57.07071	7.1
64.02184	4.1
67.05496	79.5
69.03439	34.1
69.07055	37.3
70.84940	9.0
70.85277	9.0
71.04981	7.3
79.05486	60.5
81.03411	33.7
81.07049	100.0
83.04974	8.9
83.08614	12.3
85.02884	18.7
87.94152	3.7
91.05468	56.4
93.07030	69.9
93.07609	3.8
95.04944	20.0
95.08597	85.7
97.02872	22.4
97.06535	9.8
97.10148	10.7
99.04420	6.3
105.07033	51.4
107.04958	6.7
107.08586	49.9
109.02882	5.5
109.06494	9.0
109.10128	42.7
111.04443	9.7
111.11686	4.0
113.88882	4.2
117.07011	27.5
119.08575	53.7
121.06489	9.3
121.10142	45.3
123.04432	9.1
123.08070	11.9
123.11681	17.9
127.03933	6.5
128.06212	5.9
129.05516	5.2
129.07005	12.9
131.08536	37.9
133.06528	7.0
133.10117	36.1
135.08038	7.7
135.11676	37.6
137.13240	9.3
143.08548	17.7
144.87451	3.8
145.04948	6.7
145.06430	5.9
145.10104	38.7
147.08066	4.2
147.11656	29.7
149.09608	9.8
149.13278	15.2
155.08556	12.6
157.10114	17.4
159.07948	4.6
159.11681	32.4
161.09613	5.8
161.13260	22.7
163.14812	12.9
167.08569	4.9
169.10132	11.0
171.08098	6.9
171.11684	18.6
173.13220	26.3
175.11180	4.8
175.14787	10.1
177.12746	4.6
181.10263	4.8
183.11653	8.4
185.13235	12.4
187.11284	5.3
187.14828	12.6
189.12682	6.5
189.16382	15.0
191.14236	4.7
195.11832	7.3
197.13208	7.8
199.14827	7.5
201.12666	6.2
201.16391	14.3
203.18050	6.4
205.15845	6.2
209.13275	5.2
213.16461	5.7
215.17769	4.7
233.15381	5.1
241.19658	6.3
243.21071	5.6
257.22668	4.7
259.20599	12.3
261.22119	14.3
273.22232	7.5
277.21631	8.7
283.20538	4.6
285.22183	5.7
289.21643	7.3
291.23227	9.0
301.21640	9.3
303.23245	21.3
319.22723	7.1
327.23096	5.8
341.24670	10.0
345.24191	8.3
351.22900	9.8
357.24820	5.0
369.24124	27.2
387.25320	33.0
399.30365	4.5
405.26544	35.3
405.35333	7.8
423.27353	22.0
423.36707	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	423.274
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.13958	1.3
53.03938	6.7
53.38324	1.2
55.01864	6.3
55.05258	2.2
55.05510	30.5
56.18520	1.3
57.03439	7.9
57.07066	4.6
59.04999	1.5
61.02901	1.8
65.03940	3.5
65.05555	1.6
67.05502	90.7
69.03424	34.3
69.07065	27.9
69.99258	8.7
71.01342	4.6
71.04993	8.6
73.02915	3.1
79.05490	67.3
81.03417	40.8
81.03901	1.5
81.07054	100.0
83.04971	12.2
83.08618	17.0
85.02903	16.1
85.06531	6.0
87.04485	2.4
91.05475	57.9
93.07042	84.0
95.04971	21.7
95.08604	71.1
95.09225	2.3
97.02901	15.3
97.06516	9.9
97.10188	7.7
97.10690	1.3
99.04456	10.6
103.03938	4.5
103.05478	3.3
105.07027	58.8
107.04980	7.4
107.08591	50.4
109.02898	7.1
109.06500	8.3
109.10153	30.1
111.04464	9.3
111.08108	7.8
115.03918	1.9
115.05499	3.2
117.07011	24.2
119.04951	2.1
119.08573	46.4
121.06516	8.8
121.10137	41.5
123.04439	1.8
123.08080	8.6
123.11697	14.1
125.09669	3.3
127.03910	5.6
128.06227	4.0
129.05482	6.2
129.07005	16.7
130.07819	2.5
131.04961	2.1
131.08566	41.7
133.06508	5.1
133.10132	36.4
133.95871	1.8
135.04378	1.8
135.08067	6.9
135.11688	31.2
137.05975	2.3
137.09669	3.9
137.13274	5.1
139.11205	3.3
141.06981	5.2
142.07784	3.1
143.08571	17.0
145.05002	1.8
145.06476	4.5
145.10130	31.4
147.08067	5.1
147.11685	30.3
149.05966	1.8
149.09595	7.8
149.13235	17.1
151.07570	2.8
151.11182	3.5
155.08597	9.2
157.06480	2.0
157.10120	16.1
159.08073	5.1
159.11681	26.5
161.09636	5.8
161.13249	18.7
163.11166	5.0
163.14816	8.2
165.06908	1.6
165.12793	2.5
167.08592	2.9
169.10115	7.5
171.08067	4.3
171.11682	14.3
173.09650	4.4
173.13243	16.7
175.11186	5.7
175.14856	5.4
177.12698	3.4
177.16365	2.8
179.14211	3.2
181.10098	3.3
183.11723	8.0
185.09677	3.6
185.13271	11.0
187.11215	3.0
187.14838	9.5
189.12776	4.6
189.16374	3.7
191.14391	3.9
193.12431	2.8
195.11758	3.2
197.13269	3.6
198.31062	1.5
199.11169	3.9
199.14838	7.4
201.12845	2.4
201.16356	4.4
203.14247	2.2
203.17929	1.8
205.12265	1.9
207.11745	1.7
207.13924	1.7
209.13400	3.7
211.11299	2.8
211.14844	2.7
213.12810	1.8
213.16382	2.0
215.14270	1.8
215.17975	3.0
219.74557	1.5
221.15262	2.1
225.12727	2.3
229.15991	2.6
231.13826	2.2
231.21039	2.1
233.15431	1.7
235.13196	2.9
239.14302	2.5
241.19533	6.5
243.21043	5.3
249.14793	3.5
255.21072	2.1
259.20590	16.7
261.22122	30.3
269.22455	1.9
271.20587	4.9
273.19363	1.6
273.22040	6.9
275.23730	2.0
277.14468	1.8
277.21622	7.4
279.23325	2.1
283.20633	2.5
285.22186	3.6
289.21701	7.3
291.23166	4.7
295.15695	1.6
297.21967	2.7
299.16599	1.6
301.21735	4.4
303.23242	18.1
313.21606	3.4
315.23163	6.0
319.22797	5.4
323.23419	2.3
327.23172	6.5
331.22632	3.2
331.26242	2.4
341.24756	5.9
345.24252	5.7
351.23123	11.3
357.24249	2.7
359.25623	3.3
369.24240	37.0
387.25235	31.4
405.26407	41.7
423.27142	25.7
423.36624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27240	4.0
53.03942	5.1
55.01869	9.6
55.05502	24.8
56.61180	3.9
56.96553	10.0
57.03430	11.9
57.07070	8.3
57.17658	3.7
64.85948	4.6
65.03933	6.3
67.05162	6.5
67.05502	74.0
69.03429	37.2
69.07066	34.8
69.44758	8.2
69.45158	29.6
71.04986	9.0
73.02911	5.2
77.45315	4.6
79.05489	53.9
81.03419	50.7
81.07053	100.0
83.04974	14.9
83.08608	15.8
85.02905	24.5
85.06494	4.4
87.04515	4.2
87.41527	3.9
91.05485	52.6
93.07048	86.1
95.04955	20.7
95.08604	68.0
97.02876	13.6
97.06510	10.1
97.10165	5.0
99.04479	6.6
99.08122	6.2
105.07025	58.6
107.04941	10.2
107.08595	52.1
109.02876	9.0
109.06496	13.6
109.10149	42.0
111.04451	5.2
115.05486	4.7
117.06999	22.9
119.08575	52.4
121.06499	7.1
121.10114	37.7
123.08064	10.4
123.11698	20.5
124.31531	4.8
125.38355	3.8
127.03893	8.4
127.57142	4.1
129.05461	5.6
129.06990	18.7
131.08578	38.0
133.06483	5.0
133.10135	39.0
135.08029	6.6
135.11705	23.8
137.09656	4.6
137.13335	4.9
141.06982	5.2
141.09274	4.2
143.08560	12.5
145.10091	34.0
147.04456	4.8
147.08046	7.7
147.11699	33.3
149.09598	9.9
149.13232	17.7
155.08533	7.8
157.06357	5.4
157.10155	14.9
158.19295	4.3
159.11710	25.2
161.13260	20.1
163.11203	5.7
163.14851	7.1
165.12663	5.4
169.10083	7.2
171.11690	15.4
173.09630	8.4
173.13234	26.1
175.11235	6.8
175.14868	8.5
177.12813	6.1
177.14972	4.2
179.14276	5.4
181.10097	5.6
183.11610	4.3
185.09589	5.6
185.13243	10.0
187.14844	11.4
189.09021	4.5
189.16425	5.3
191.14432	5.3
197.13264	8.3
199.14743	13.1
203.10704	4.6
203.14290	4.8
213.16281	6.8
241.19563	6.5
259.12280	5.7
259.20459	10.9
261.22092	25.5
265.68600	4.3
273.22293	6.0
277.21573	7.8
285.10196	5.6
285.22168	5.7
289.21600	6.8
291.23248	6.5
301.21393	8.4
303.23123	12.7
315.23267	8.4
327.23190	5.1
331.22684	5.2
341.24652	9.7
345.24542	5.7
351.23315	8.8
359.25394	4.9
359.78967	4.3
369.24136	39.5
387.25436	31.2
399.14584	10.8
405.26459	38.3
417.15396	6.3
423.27078	28.2
423.32217	19.2
442.85202	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
52.90461	1.5
53.03942	10.8
55.01872	17.0
55.05507	25.4
55.35003	1.5
57.03421	6.7
57.07072	4.7
59.04979	1.5
65.03928	3.5
67.05501	93.0
69.03425	32.6
69.07063	23.3
69.29672	17.5
71.01343	3.9
71.04990	13.2
71.08627	2.2
73.02912	8.5
77.03919	2.8
79.05489	76.8
81.03416	34.6
81.07051	91.3
82.70492	1.5
83.04978	4.9
83.08611	13.5
85.02891	10.2
85.06520	3.9
91.05476	49.5
93.07037	100.0
93.80727	1.7
95.04968	12.5
95.07970	2.2
95.08601	80.9
97.02882	88.3
97.06519	4.5
97.10172	4.6
99.04446	48.4
101.02417	2.0
103.05469	1.9
105.07031	38.7
107.04973	3.4
107.07858	2.8
107.08586	49.3
109.02870	22.3
109.06528	4.9
109.10144	42.7
111.04424	4.8
111.08045	3.4
117.07024	16.1
119.08578	39.1
121.06503	4.3
121.09299	3.4
121.10137	51.1
123.08070	9.0
123.11694	13.6
125.09628	2.1
127.03910	61.4
129.07005	6.9
131.04924	3.8
131.08563	27.9
133.10118	24.8
135.08020	3.9
135.11694	37.5
137.09599	4.4
137.13252	4.7
139.11261	2.0
141.06955	1.8
143.08563	5.4
145.04958	9.3
145.06482	2.4
145.10115	26.4
147.08040	2.6
147.11670	21.8
149.09615	3.9
149.13268	17.7
153.12733	2.0
157.10127	5.0
159.08078	2.2
159.11696	21.5
161.09653	2.1
161.13269	18.0
163.11179	2.7
163.14806	6.8
165.12740	2.1
169.10062	2.5
171.08121	1.9
171.11661	5.8
173.09666	3.9
173.11867	2.8
173.13235	16.7
175.11124	2.6
175.14815	7.3
177.12740	2.6
177.16330	2.3
179.14331	5.6
181.10077	2.3
183.11765	2.9
185.09656	1.7
185.13324	3.5
187.11148	3.2
187.14847	7.4
189.12790	3.7
189.16402	2.4
191.10622	1.9
191.14336	2.0
197.13187	2.8
199.14789	3.2
201.12636	1.7
201.16385	2.8
205.15822	2.0
213.12843	1.9
215.14374	2.3
215.17981	2.3
227.67586	2.1
233.15337	4.0
241.19463	2.7
243.21117	13.0
259.20566	11.8
261.22141	48.2
273.22147	4.9
279.23065	2.1
287.23599	1.9
301.25305	2.1
305.19162	1.7
311.23776	3.1
313.21625	2.0
315.23218	2.2
329.24625	5.9
331.26337	2.0
339.23215	5.4
357.24243	10.8
369.24313	2.5
387.25299	3.3
405.26166	3.3
423.26984	5.9
423.32303	9.8
423.36398	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
55.01862	6.6
55.05509	30.7
57.03443	9.2
57.07081	7.1
64.96414	5.1
65.03951	6.4
67.05499	66.0
69.03413	24.3
69.07062	38.0
69.51000	33.0
69.51410	10.4
71.04985	5.2
79.05493	50.7
81.03419	29.1
81.07052	100.0
83.04974	8.6
83.08594	15.6
83.19385	6.2
85.02895	9.2
91.05481	45.5
92.21962	5.6
93.07038	61.9
95.04965	15.3
95.08028	8.6
95.08606	85.8
97.02879	14.4
97.06509	10.5
97.10178	10.3
98.20741	10.1
99.08081	6.5
105.07016	52.6
107.04934	5.6
107.08599	52.2
109.06513	14.0
109.10159	46.2
111.04405	8.3
111.08023	5.5
117.06989	19.7
119.08597	54.2
121.06489	9.8
121.10146	50.8
123.04482	5.5
123.08073	9.7
123.11701	22.2
127.03902	8.4
127.11214	6.0
128.11533	5.7
129.07040	11.0
131.08594	43.4
133.10136	35.6
135.11720	34.9
137.09599	7.9
137.13277	13.9
143.08511	17.8
145.10127	42.5
147.11697	30.0
149.09567	8.6
149.13251	18.0
155.08551	11.0
157.10103	18.5
159.11710	30.5
161.09593	6.7
161.13245	19.3
169.10097	14.1
171.11743	13.7
173.13234	17.8
175.14830	6.0
185.13243	8.9
187.14819	12.5
189.12646	7.4
197.13263	7.8
199.14801	10.0
201.16333	8.8
203.17793	6.1
210.95604	5.9
211.14607	6.0
213.16409	5.9
215.14503	7.8
217.16008	7.3
240.49452	5.0
241.19522	6.9
243.21173	6.6
259.20523	12.0
261.22116	11.4
271.92871	5.5
275.23578	6.1
277.21664	7.5
289.21585	7.9
303.23193	15.1
304.19211	6.4
327.22797	5.5
345.24121	7.1
351.23215	9.7
369.24103	29.5
387.25241	37.9
405.26361	35.3
405.35248	11.9
423.27307	18.8
423.31537	9.7
423.36847	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	423.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10294	0.3
53.03937	0.3
55.01860	0.5
57.03423	0.5
59.61716	0.3
60.86651	0.3
61.02905	0.4
65.53696	0.3
66.33173	0.3
66.90538	0.3
69.03418	1.3
69.07050	0.5
69.89290	1.9
72.08149	0.3
73.02902	1.4
81.03421	0.5
81.07043	1.0
83.04967	0.3
84.04495	0.5
84.08136	0.5
85.02896	2.4
87.00804	0.3
87.04433	0.3
95.04958	0.3
95.08608	0.5
97.02886	1.6
98.97559	0.6
101.06028	0.7
102.09163	0.5
109.02892	0.5
111.04427	0.4
111.08104	0.4
116.98630	0.7
117.03382	0.4
121.10132	0.3
127.03887	0.6
129.05469	8.1
129.09106	0.5
130.03174	0.5
137.05952	0.6
140.46719	0.3
145.02827	0.7
145.04947	0.7
147.04341	0.4
174.11238	0.3
175.31694	0.3
177.05458	0.9
184.53131	0.3
188.28261	0.3
194.53343	0.3
202.00797	0.3
210.28525	0.3
219.01802	0.4
237.02682	0.5
244.05670	0.3
261.13080	12.4
261.17606	0.5
352.02872	0.3
355.74847	0.3
405.54095	0.4
423.18335	100.0
424.18637	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.35516	0.4
55.01878	0.6
60.22332	0.4
64.89980	0.4
67.05498	0.7
69.03417	1.0
69.98758	2.0
70.06578	0.5
71.04983	0.6
78.04691	2.6
79.05486	4.8
81.03400	0.6
81.06627	0.7
81.07056	5.9
83.43702	0.4
85.02905	1.1
87.02734	0.5
91.05478	3.0
93.07009	0.8
95.04951	2.0
95.08624	0.6
97.02882	0.5
98.20767	0.5
103.05466	4.3
105.07025	5.6
106.04162	1.5
106.07362	0.5
107.04953	8.1
107.08584	0.8
109.02867	0.6
109.06540	0.7
109.10124	0.5
115.05424	2.2
117.07008	1.3
119.08587	1.0
121.02828	0.4
121.06484	1.8
122.03622	1.0
123.04421	8.6
123.08049	0.8
124.05187	2.9
125.06002	0.8
128.06181	0.7
129.07002	1.6
131.04910	6.8
131.08545	1.1
133.06473	5.1
133.10109	0.6
135.08031	1.3
137.05969	3.8
141.06984	0.8
141.09105	0.5
143.04945	0.7
144.05681	0.6
145.06506	2.4
147.04393	1.7
147.08134	0.6
149.05936	1.0
151.03880	2.0
151.07545	3.0
152.04654	2.7
153.05472	0.7
157.06436	0.6
158.07286	1.1
159.08034	1.6
161.05952	7.3
162.06429	0.5
163.07535	14.5
164.07907	0.7
166.06293	0.7
167.07028	100.0
168.07541	3.9
169.08070	0.7
173.05959	1.6
173.09660	1.3
175.07526	2.1
177.09102	2.0
179.07042	2.3
181.08569	5.0
182.12537	0.7
187.07582	2.7
189.09091	1.0
192.07791	0.8
193.06822	0.8
193.08589	15.9
195.06474	0.6
195.10135	0.5
201.09096	1.7
203.08549	0.8
205.08569	1.0
207.10097	1.2
217.08694	0.8
219.10165	2.1
221.11496	0.7
233.11722	1.9
237.11182	1.7
248.08369	0.6
251.12872	0.7
261.12320	1.7
261.20551	0.5
263.10568	0.7
291.10178	1.1
295.13226	1.2
323.12613	2.1
332.15799	0.8
355.15262	4.1
387.18124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94007	0.7
56.96555	1.3
57.03423	1.2
58.99580	6.1
61.02915	1.6
67.05198	0.7
67.05495	6.2
67.60486	0.7
69.03419	6.3
69.07067	15.3
70.20051	1.9
70.20442	1.3
71.04964	1.0
73.02881	0.8
76.02202	3.2
81.03395	3.0
81.07037	0.9
84.04480	1.3
85.02425	0.9
85.02903	11.4
85.07632	0.9
88.03992	0.9
93.07011	0.8
95.04961	2.6
95.08575	0.8
96.04520	0.8
97.02883	6.2
98.97554	2.7
99.02660	1.8
99.04429	1.0
101.04237	48.0
107.26143	0.7
109.02856	2.8
110.06038	1.2
112.07600	2.2
116.98608	2.7
122.02718	0.9
127.02122	6.2
127.03875	3.9
127.05782	2.5
128.98605	1.4
129.03697	1.7
129.05392	0.9
134.99622	1.7
135.41393	0.7
136.07512	0.8
137.05949	1.0
138.05478	1.8
140.07056	10.3
141.05470	0.8
145.04962	1.5
146.99672	0.9
155.01625	1.4
158.08156	1.2
164.73552	0.8
167.07071	0.8
168.06534	1.2
169.04898	1.0
170.06314	1.8
172.04266	100.0
173.04538	1.0
177.00726	0.8
177.05453	1.6
180.04762	1.5
182.08145	3.3
197.07538	2.6
198.05838	6.8
206.08173	1.0
214.05292	10.5
215.08498	5.1
237.02782	2.2
244.06395	8.0
261.09030	15.2
286.07285	1.6
303.10062	1.5
305.09091	1.0
309.08682	1.1
323.10071	1.5
326.13965	0.8
334.09473	1.8
342.10077	1.2
360.11200	1.3
377.13754	8.1
423.14291	81.1
424.14661	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1425
Annotation	Lepidissipyrone
Peak:m/z	Relative Intensity
55.01858	1.1
56.18398	0.6
56.96543	1.6
57.03443	1.2
58.99578	6.6
61.02921	1.3
62.22633	0.6
64.00549	0.6
67.05490	5.8
69.03419	5.9
69.07061	14.3
70.35406	0.7
71.04991	1.0
71.61476	1.5
73.02907	1.5
76.02209	2.3
81.03399	3.0
81.07032	0.9
83.04964	0.7
84.04485	0.7
85.02894	11.3
86.06091	0.8
93.07019	0.8
94.06557	0.8
95.04987	3.2
96.04491	0.7
97.02884	5.7
98.06051	1.4
98.97559	3.1
99.02644	2.3
99.04444	1.6
100.27705	0.7
101.04236	44.9
103.03950	0.9
104.72237	0.6
109.02869	3.4
109.03987	0.9
110.06036	1.5
112.07603	2.9
113.05978	0.7
115.03929	0.8
116.98616	2.5
121.63557	0.7
122.02742	0.8
122.06030	1.2
123.04428	0.8
126.05513	1.1
127.02141	4.2
127.03917	2.5
127.05763	2.4
128.98607	1.5
129.03714	1.5
134.99661	1.6
136.07561	0.8
138.05481	2.1
140.07047	10.2
145.04890	0.8
146.99568	1.0
155.01654	1.5
158.08109	0.8
158.99654	1.1
162.99191	0.7
164.07025	0.7
164.98399	1.1
167.07005	2.4
170.06328	2.5
171.65096	0.7
172.04260	100.0
175.04219	0.7
177.00688	2.1
177.05476	1.9
180.04768	1.9
182.08128	3.0
183.06606	0.9
197.07420	3.6
198.05824	5.4
214.05318	10.1
215.08525	5.6
219.01779	1.4
227.09163	1.8
234.98871	0.7
237.02838	3.3
239.08565	0.8
244.06432	6.3
257.09396	1.0
261.09012	12.9
261.11600	1.1
261.18134	1.0
275.10822	0.7
286.07458	1.9
293.54401	0.8
302.12421	0.8
303.10172	1.5
334.09436	2.0
342.10162	0.9
347.00720	1.0
360.10941	1.6
377.13675	7.7
405.13040	0.9
423.14233	77.9
424.14355	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05507	5.7
56.96553	1.7
57.03432	3.2
61.02914	2.5
67.05492	9.8
69.03428	5.9
69.07054	6.0
69.78166	4.7
69.78571	2.2
71.04977	1.6
73.02900	1.3
79.05482	5.8
81.03408	2.4
81.07051	38.3
81.07519	2.5
83.04978	3.2
83.08608	3.9
85.02898	13.6
85.06541	3.2
91.05475	11.9
93.07050	7.3
93.07532	1.1
94.28075	1.2
95.04939	1.8
95.08607	9.2
97.02894	4.6
97.06533	4.9
99.04510	1.4
99.08103	1.4
100.11237	1.2
105.07027	19.0
107.08586	8.4
109.02912	1.9
109.06525	3.1
109.10141	2.1
119.08557	12.6
121.10126	13.4
123.04465	1.6
123.08073	2.5
123.11700	19.3
127.03902	3.1
131.08534	2.2
133.10107	2.6
137.13286	3.3
139.03908	1.8
141.09140	1.8
145.04973	3.4
147.11674	68.5
148.12090	1.8
151.03925	1.1
157.10101	1.6
165.12733	51.8
166.13109	1.5
175.11226	2.7
180.08673	5.1
182.15431	1.1
183.13759	2.2
193.12239	13.4
197.15356	29.6
199.07397	1.3
211.13274	1.8
225.14816	7.3
229.14316	12.9
243.15909	100.0
244.07205	1.6
244.16254	2.4
287.08887	1.8
358.78821	1.5
380.59195	3.1
401.10870	1.4
423.10883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01842	1.2
56.96553	4.2
57.03432	6.0
58.99576	1.5
60.69157	0.8
61.02912	3.8
67.05486	2.1
69.03421	6.9
69.07063	7.0
70.03790	0.7
70.06572	1.6
71.03889	2.0
73.02914	10.1
74.03231	0.7
77.00859	0.8
81.03419	4.1
84.08128	1.3
84.96036	0.8
85.02418	1.4
85.02898	15.2
87.04433	2.8
95.04956	1.6
97.02886	6.7
98.03182	0.8
98.97580	10.7
99.02688	1.5
99.04474	0.8
101.00846	0.9
101.04237	11.5
104.07104	2.5
109.02851	1.6
110.06025	0.7
110.97523	1.3
112.07545	1.5
112.99155	1.8
115.03966	1.9
116.98599	5.5
119.01920	5.1
121.01694	0.8
124.07674	1.2
127.02110	2.0
127.03893	6.4
128.07060	1.4
128.98616	2.7
131.00150	3.9
131.01877	3.3
133.01759	0.8
133.03448	2.5
134.99615	2.2
137.05995	1.7
140.07069	4.8
142.08597	1.1
143.00163	1.7
143.01819	2.7
145.01631	1.7
145.03447	2.6
145.04965	1.9
146.05278	0.9
146.99605	2.9
147.03241	1.1
147.04927	1.0
149.01201	1.8
151.04509	1.2
155.01764	2.6
157.01639	0.8
157.03459	2.9
158.99702	3.5
159.04990	2.2
161.01303	1.1
161.02937	4.8
163.02725	3.2
165.00804	1.1
169.03424	1.9
170.06271	1.4
170.99649	0.9
171.01109	2.3
172.01343	1.2
172.02740	1.2
172.04248	26.2
173.01402	1.1
173.02960	4.1
173.04337	1.0
174.03172	0.8
175.02701	1.8
175.04492	2.1
177.00737	3.7
177.06073	1.7
178.04974	3.0
182.08124	1.5
185.02921	2.7
187.04456	1.7
188.96997	0.9
189.00697	2.4
191.02261	1.8
193.03780	1.3
197.07497	1.3
198.05873	2.1
199.04515	1.6
199.08214	1.0
201.00722	1.2
201.06046	3.7
203.03981	1.8
205.03772	1.1
207.01817	0.9
214.05383	3.0
215.08542	1.8
217.05562	1.7
219.01692	4.3
221.05025	3.7
223.04688	0.9
227.04070	1.2
233.73647	0.8
235.06622	2.7
237.02847	5.3
244.06433	3.4
245.05080	3.1
247.04843	1.5
252.07204	1.1
252.58052	0.8
253.07823	2.1
259.06781	1.4
261.08954	5.4
261.17984	1.1
265.05902	1.0
266.58713	0.9
267.03784	0.8
271.06772	0.8
273.08234	1.6
277.07672	2.2
279.03922	0.9
279.09348	1.8
289.07837	1.4
289.11255	0.9
291.07642	1.4
291.08636	1.3
293.05542	1.2
295.08640	2.7
297.08636	0.8
299.06494	0.9
303.09894	1.0
307.12192	1.1
309.04965	0.8
309.08206	1.6
315.91672	0.7
318.10590	2.3
321.10364	3.7
322.10565	1.0
325.59763	1.9
331.05057	3.0
332.58734	0.9
333.10132	0.9
337.07813	1.8
355.09079	1.6
363.11551	3.8
374.09259	0.9
375.07684	1.1
377.13800	2.5
381.12454	1.6
405.12347	3.2
423.12827	100.0
424.13071	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.59468	0.7
55.01859	1.9
55.05500	4.2
55.70987	0.6
56.96571	0.8
57.03432	4.2
57.07056	0.9
58.50409	0.7
61.02904	2.1
66.98696	0.6
67.05161	1.2
67.05499	14.6
69.03426	5.4
69.07061	7.4
71.01161	1.8
71.04976	2.9
73.02889	1.3
79.05484	7.5
81.03400	2.5
81.07053	40.6
82.07368	1.3
83.04988	5.1
83.08598	3.9
85.02899	15.6
85.03680	0.8
85.06526	2.7
87.04427	0.9
91.03925	1.1
91.05475	16.9
91.06017	0.6
93.07036	7.6
95.04958	2.8
95.08594	8.8
97.02899	6.7
97.06525	4.1
99.04450	0.8
99.08067	2.8
105.07024	20.6
107.04941	0.9
107.08573	7.8
109.02849	1.6
109.06519	3.8
109.10176	0.7
111.08118	0.7
115.07539	0.7
119.07784	1.4
119.08573	17.6
121.10140	11.7
121.85416	0.8
123.08092	1.7
123.11697	14.4
127.03955	3.3
129.06981	1.3
131.08614	3.9
132.08899	0.7
133.10143	10.9
137.13251	4.0
139.03857	0.7
141.09114	1.4
145.04967	4.1
145.10085	1.0
147.11678	61.4
148.12015	1.5
149.02293	1.2
157.10110	4.5
165.12746	48.0
175.11200	8.3
180.08682	5.9
182.60992	0.7
193.04944	1.4
193.12244	37.1
197.15361	29.7
198.15640	0.9
207.13837	1.4
211.13274	1.6
225.14845	46.0
226.15306	1.3
229.14304	2.2
243.15909	100.0
244.16318	2.9
285.89804	0.7
423.10806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78500	1.9
55.01870	10.0
55.05505	17.3
56.05014	2.6
58.99587	4.2
62.06092	4.3
69.46403	5.6
69.46819	12.2
72.04498	2.6
76.02196	2.4
79.05492	7.8
81.07056	3.0
83.08619	18.1
84.04510	10.2
86.99072	2.6
90.05561	3.0
91.05477	29.9
93.07052	4.0
95.04961	3.3
97.02903	2.0
98.21452	3.5
102.05574	2.2
103.05453	22.4
103.99559	2.0
104.01706	6.3
105.07019	14.6
107.04958	55.7
108.05257	2.1
109.06516	3.4
115.05457	8.0
116.01676	21.0
117.07051	4.4
119.04939	28.9
120.05759	2.4
121.06515	7.9
122.03648	6.4
123.08056	2.5
126.05524	3.5
129.06973	3.7
130.04968	2.2
131.04904	11.2
131.08560	2.1
133.06491	9.3
135.04381	2.5
135.08026	16.8
137.05971	100.0
145.06497	3.1
147.04398	32.8
149.05957	8.8
150.06760	3.0
151.07542	36.6
157.06500	5.8
158.02704	61.0
159.08395	14.1
161.05972	85.4
161.09598	23.9
162.06741	13.6
163.07539	90.2
167.08614	2.6
174.06755	3.5
175.07584	11.3
176.03767	41.1
176.11061	2.9
176.43260	2.3
179.07069	18.6
181.08597	40.9
189.09094	52.2
195.07990	5.3
197.09621	2.5
207.08209	4.7
207.10172	93.0
219.10213	8.6
225.11223	2.9
225.14758	2.1
227.10663	5.8
233.09525	2.7
253.12370	2.5
255.10179	8.2
265.08661	4.1
267.10352	2.5
269.08105	2.2
271.45242	2.1
275.12369	7.2
276.12592	28.2
281.11288	2.3
285.11240	4.8
287.12692	20.4
293.11923	4.0
293.15237	26.8
297.11154	2.7
299.12866	3.4
311.12750	20.9
313.14304	25.5
325.14166	2.8
331.15442	48.3
333.14828	5.7
343.15219	12.1
422.09695	4.5
422.20770	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	422.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.35902	1.4
55.01862	3.5
57.03421	2.1
61.02910	2.0
62.06086	3.9
67.05486	2.5
69.03419	4.6
69.07047	1.9
69.94797	1.1
70.06596	1.7
71.04967	2.0
71.35944	2.8
73.02909	2.0
77.03911	1.4
79.05472	6.1
81.03444	1.8
81.07040	3.8
83.04987	3.2
85.02891	10.1
91.05476	24.4
93.07050	5.0
94.04185	1.8
95.04962	5.0
95.08606	2.6
97.02908	3.3
99.04429	2.6
102.04677	1.5
103.05458	19.9
105.03416	1.2
105.07024	15.2
105.07679	1.8
107.04948	55.3
107.08599	4.1
109.02863	1.6
109.06522	6.6
109.10162	5.2
109.20482	1.2
115.03980	1.4
115.05428	6.9
117.06996	2.2
119.04936	25.0
119.08562	4.0
120.05765	2.1
121.02930	1.3
121.06492	8.8
121.10133	11.1
122.03658	4.3
122.07303	1.4
123.08043	6.6
123.11748	2.1
125.05992	1.5
125.09540	1.2
127.03932	2.8
128.06224	1.8
129.07008	4.3
130.04128	2.4
131.04929	14.9
131.08556	2.6
133.02864	2.1
133.06485	8.4
133.10129	3.4
135.04431	3.1
135.08055	14.9
135.11655	1.8
137.05969	95.9
137.09636	2.7
139.11166	7.7
141.05424	1.3
145.04930	2.2
145.06471	2.6
146.03787	1.3
146.07339	2.1
147.04407	29.4
147.08051	1.8
148.05177	2.0
149.05980	9.1
149.09581	3.7
150.06750	5.2
151.03976	1.3
151.07529	37.1
151.11159	3.2
157.06483	4.7
157.12215	1.2
161.05974	82.9
161.09601	19.9
161.13251	3.8
162.06731	12.5
163.07530	86.0
165.05510	1.5
165.06947	1.4
165.09122	2.6
167.10646	2.4
174.06790	3.0
175.07591	9.9
177.09099	2.6
179.07025	14.0
179.10690	1.5
179.14336	1.9
181.08578	33.5
181.12135	2.6
189.09094	51.2
189.12714	2.0
193.06612	2.2
195.08041	1.9
207.10156	100.0
207.13937	4.2
208.10614	1.6
209.09578	1.3
219.10149	9.2
221.06027	2.5
221.09634	2.2
223.07483	1.5
225.11229	3.7
225.14815	8.8
227.10646	5.4
233.09825	1.3
237.09081	1.4
243.15909	6.1
253.08623	3.6
253.12170	3.3
255.10165	5.2
261.09308	1.4
265.08508	2.3
281.11725	3.2
285.11279	7.1
287.12784	22.1
297.11206	3.6
299.09586	1.4
299.12717	4.9
311.12701	19.5
313.14310	24.7
325.14413	4.6
331.15363	63.2
332.15817	1.5
343.15335	10.9
376.08655	1.7
387.19873	1.5
404.08289	3.0
422.09683	10.6
422.21872	3.8
423.10208	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1954
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
55.01865	7.7
55.05509	22.7
56.05030	1.1
58.99582	4.8
61.01133	1.2
71.06076	2.0
72.04503	2.2
73.01134	1.3
73.02919	1.5
76.02219	3.4
79.05470	1.1
79.99409	0.8
81.07038	0.9
83.06072	1.4
83.08135	1.6
83.08617	31.0
83.42610	0.6
84.04502	13.0
86.99033	4.4
88.02203	1.7
90.05560	3.4
91.05462	1.9
99.05569	0.8
103.05502	1.0
104.01685	15.6
105.07032	0.9
107.04939	2.0
107.08579	1.4
115.05714	0.8
116.01674	31.7
121.59425	0.7
121.82365	0.7
129.06583	3.0
129.07414	1.7
130.04996	3.1
135.08052	0.9
137.05959	4.0
141.06526	1.1
142.03210	2.1
144.06508	0.8
147.04393	1.2
151.07559	1.4
158.02715	100.0
159.03024	1.2
159.08395	27.5
161.05998	3.2
161.09532	0.8
162.06735	0.9
163.07520	4.3
176.03766	71.6
176.11029	5.9
181.08650	0.9
189.09117	1.3
193.06355	0.8
197.38397	0.8
207.10159	5.5
215.04865	0.7
218.12114	0.7
224.35242	0.7
275.12268	1.2
276.12646	58.5
277.12979	2.0
287.12802	0.8
293.15292	44.9
294.15448	1.7
313.14273	1.3
315.13675	1.0
331.15411	2.1
333.14771	8.6
343.15555	0.7
404.18387	1.8
422.19427	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01865	2.3
55.05512	16.9
55.93932	1.5
56.05016	5.9
56.95871	1.7
57.03439	20.4
58.06593	7.0
61.02925	9.8
66.99856	1.5
67.05487	4.6
68.05022	1.5
68.40228	1.8
68.98169	1.6
69.03420	14.2
69.07061	22.9
69.69463	7.8
69.69907	5.5
71.01344	6.9
71.04979	2.4
72.04496	3.1
72.08144	3.0
73.02913	44.1
74.03270	1.6
74.06058	4.7
79.05513	1.8
81.03403	3.7
81.07059	3.4
82.06590	8.3
83.04961	3.2
83.08600	10.6
84.04496	3.6
84.08139	3.0
85.02417	2.6
85.02899	30.3
85.06530	5.8
86.06047	9.0
87.04452	3.0
91.05474	8.1
92.05817	2.4
93.07043	12.9
95.04948	3.3
95.07355	3.6
95.08605	3.7
96.04485	3.7
97.02887	18.3
98.03237	1.8
98.06052	6.7
98.09688	9.8
98.97591	2.0
99.04448	3.8
107.04930	1.8
107.08606	1.9
108.08108	16.5
109.02877	3.6
110.06026	10.5
110.09669	80.7
111.04427	3.9
111.08109	9.3
113.02363	1.8
114.05535	5.8
115.03903	12.8
126.05503	8.4
127.03897	12.1
128.07092	7.3
128.10707	100.0
133.04961	5.4
137.05968	2.9
138.05428	3.7
139.03908	3.9
143.03406	2.0
144.06621	2.9
145.04935	6.6
156.06578	6.4
157.05034	2.0
158.08058	2.4
162.99185	2.0
174.06102	2.4
174.07610	48.5
186.07585	3.3
187.06021	2.2
204.08655	13.5
206.10397	2.4
225.11397	2.4
225.14798	2.6
228.38217	1.6
242.13885	2.8
243.12125	1.8
243.15973	2.3
265.98581	1.7
272.14871	1.9
273.03870	2.2
275.12271	2.8
290.16013	26.4
303.03998	2.1
309.08545	1.8
336.12750	4.5
354.13751	2.1
422.20270	44.0
423.15485	2.0
423.20895	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39646	2.7
55.05498	7.1
57.07067	4.5
57.27392	2.7
66.34579	2.9
67.05493	12.1
69.07066	16.5
69.25575	2.9
70.78244	8.7
79.05464	5.6
81.07054	32.9
83.05021	3.1
83.08617	7.4
85.34863	2.8
91.05465	5.4
93.07028	11.5
95.04930	3.8
95.08601	39.6
97.06523	3.4
104.12540	2.8
105.07010	15.9
107.08577	25.3
109.10160	24.0
111.11723	6.9
119.08578	19.4
121.10149	22.7
123.11708	12.8
131.08511	7.9
133.10103	13.6
135.11682	15.9
137.13205	9.8
143.08551	4.7
145.10089	17.0
147.11656	12.6
147.97601	2.8
149.13301	9.7
157.10141	11.5
159.11656	13.5
161.13254	6.5
163.14832	8.0
169.10056	3.8
171.11664	8.5
173.13264	13.0
175.11111	3.1
175.14822	7.3
177.12794	4.3
177.16354	4.3
183.11566	3.2
185.13188	4.3
186.42091	2.8
187.14824	10.7
189.16359	6.6
191.17961	11.7
197.13298	6.4
199.14838	4.4
201.16393	6.1
209.13255	3.9
211.14711	2.9
213.16284	4.1
215.17955	6.1
229.15834	4.7
229.19556	3.1
231.17302	2.9
239.17854	3.5
243.17494	8.4
257.18988	6.8
283.20618	6.6
311.23615	3.4
325.25186	8.0
329.56647	3.4
335.27203	6.8
337.25262	4.3
352.90668	3.0
403.33533	12.7
421.29089	6.4
421.34647	100.0
422.35190	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.3
53.03912	0.3
55.01870	0.6
56.05040	0.3
56.96565	1.7
57.03447	1.4
60.04518	0.4
61.02911	1.3
67.05508	0.4
69.03428	3.7
69.94133	0.6
69.94551	0.9
71.05000	0.5
71.29053	0.2
73.02912	1.6
74.00657	0.8
81.03420	2.0
81.07117	0.2
81.72203	0.3
84.04497	1.0
84.08144	0.4
84.96029	0.6
85.02419	0.5
85.02906	8.5
87.04439	0.5
97.02901	3.8
98.97584	3.0
99.04462	0.6
101.04205	0.4
105.69539	0.3
108.19334	0.3
109.02872	1.4
110.97541	0.3
111.04455	0.3
114.82929	0.3
115.02145	1.9
115.03921	0.4
116.07079	0.4
116.32671	0.3
116.98613	2.4
119.01871	0.4
120.01144	1.0
121.06455	0.5
122.02746	0.4
125.02367	0.4
127.03914	2.5
127.99262	0.4
128.98576	0.8
134.99644	1.7
137.06030	1.4
138.05479	0.3
139.03847	0.5
143.01620	16.9
144.01923	0.3
145.02826	0.8
145.04933	1.3
146.99654	1.1
147.04398	0.7
155.04626	0.4
158.99635	0.9
161.01277	0.4
161.02959	0.6
163.02766	0.4
171.01109	100.0
172.01424	1.9
174.11244	1.2
177.00693	1.9
177.05498	1.6
185.06563	0.7
187.02856	0.3
189.00749	0.6
189.04332	0.3
219.01740	1.1
221.05197	0.4
222.69836	0.3
227.06795	0.5
233.06935	0.3
237.02824	2.7
243.03249	0.7
260.05887	17.4
275.09686	0.4
291.07532	0.6
293.10822	0.5
298.48315	0.3
302.06757	0.4
307.06976	0.4
309.08694	1.0
310.28046	0.3
338.07056	0.4
381.11078	0.3
386.09085	0.6
404.10043	0.4
422.11737	0.4
423.13837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.9
57.07078	6.0
58.06575	1.3
67.05492	2.1
69.07054	1.6
69.66743	3.8
69.67171	4.2
70.06586	16.9
71.08620	1.9
77.30307	1.1
79.05491	1.5
81.07050	1.8
88.07626	20.1
91.05471	7.3
93.07037	2.6
95.08569	2.4
97.02868	1.2
97.78644	1.1
102.09176	15.9
109.10156	1.5
119.04922	2.3
119.08556	1.7
124.00396	1.0
135.11845	1.3
137.05937	1.7
147.04408	73.1
159.11699	1.6
175.03978	1.4
175.11217	1.2
180.36075	1.0
191.07027	78.1
212.23720	1.2
219.06596	2.5
228.23195	1.7
251.34047	1.4
256.26349	47.0
257.26773	1.8
281.10599	2.5
299.11758	2.5
345.68323	1.0
350.70276	1.2
420.31113	100.0
421.31097	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	421.1338
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.3
55.01852	0.3
57.03434	1.8
61.02898	0.6
61.50043	0.2
66.75938	0.2
69.03438	1.2
70.65411	0.5
70.65766	0.2
71.01324	0.2
73.02906	3.7
81.03416	0.5
84.02264	0.2
85.02905	2.7
87.04457	0.2
97.02878	1.9
99.26777	0.2
109.02877	0.7
115.03926	1.1
127.03909	100.0
128.04269	0.8
145.04964	0.8
157.57713	0.2
189.02336	0.2
289.09167	4.5
289.12466	0.4
347.02133	0.2
421.16898	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02536	2.0
55.01868	4.9
55.05510	10.6
57.03431	10.2
57.07073	37.7
58.83069	2.3
67.05507	15.7
69.07069	14.7
70.06592	5.5
71.05007	2.3
71.60534	3.6
71.60890	2.4
79.05486	12.4
81.07053	24.9
83.04978	3.3
83.08633	5.9
85.06532	14.0
88.07624	6.8
90.18900	2.2
91.05499	11.5
93.07034	20.9
95.04973	5.0
95.08604	23.0
97.06518	5.3
97.10146	3.7
102.09181	3.8
105.07022	13.9
107.08585	21.8
109.06512	17.4
109.10174	10.3
111.04475	4.9
111.08090	3.5
116.35417	1.9
117.07012	4.8
119.08576	14.5
121.06529	4.1
121.10137	14.0
123.08056	14.9
123.11732	4.8
125.06016	4.7
125.09634	2.5
131.08618	4.4
133.10150	9.6
135.08044	14.8
135.11720	6.6
137.05998	20.7
137.13252	3.6
139.71031	2.5
141.07030	2.3
142.88098	2.5
143.08569	2.8
145.10152	9.1
147.11739	7.4
149.02367	9.4
149.09662	5.6
149.13338	3.4
151.07556	6.2
151.11264	4.0
156.47620	2.2
157.10159	5.1
159.08087	3.7
159.11743	6.7
161.09697	3.4
161.13329	4.0
162.03175	9.4
162.53323	2.7
165.12802	9.3
166.13206	2.5
169.10303	2.1
171.11713	6.9
173.13284	3.6
175.14833	4.3
177.12793	8.4
179.14407	5.9
184.04414	11.0
185.13379	3.0
187.14851	3.4
189.12785	2.5
189.16452	2.9
193.05048	7.5
195.11925	2.2
197.06091	3.1
198.06363	4.1
201.16345	2.6
203.14554	3.1
206.05807	6.6
207.13913	8.3
228.23309	4.1
233.19052	3.2
256.26501	6.7
263.20142	3.4
301.25598	2.5
306.66232	3.3
319.26492	8.4
320.67929	5.8
322.53818	2.7
329.24677	3.4
337.27505	4.0
338.96811	2.8
344.69781	2.2
347.25790	100.0
348.26193	6.3
365.26859	17.0
385.09274	7.9
393.29861	14.3
403.33621	4.2
421.29453	85.7
421.34818	10.8
421.78461	16.9
422.29532	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
53.08356	0.6
55.01869	2.8
55.05505	1.4
60.96571	0.5
61.02948	0.7
65.03923	1.1
65.66811	0.6
67.05502	11.2
69.03416	2.4
69.07077	1.3
69.41121	5.9
71.04984	1.0
79.05487	6.3
81.03414	22.0
81.07056	18.0
82.82124	0.6
83.04980	3.2
83.08614	0.9
85.02887	4.1
85.06554	0.9
91.05500	3.7
93.07050	9.5
93.68885	0.6
95.04955	6.2
95.08601	10.4
97.02871	2.1
97.06508	1.3
99.04447	1.2
99.08093	0.9
103.05438	0.6
105.07023	3.3
107.04937	9.0
107.08571	3.5
109.02895	0.9
109.06509	1.4
109.10160	0.9
111.08077	2.1
117.07019	3.9
119.04890	0.8
119.08540	0.9
121.06507	4.1
121.10113	0.9
123.04392	1.7
123.08063	8.6
131.04939	1.2
131.08577	4.1
131.68489	0.6
133.06439	1.3
133.10104	2.2
135.08032	1.8
135.11694	8.3
137.05946	1.1
141.06979	2.1
143.08629	1.0
145.06482	6.2
145.10127	1.7
149.13257	4.2
159.08052	1.9
159.11685	8.1
167.07042	1.3
169.10147	3.1
177.05408	0.7
177.12720	5.4
180.08661	0.6
181.04898	1.1
182.05257	1.0
183.05510	1.1
187.11166	10.2
189.16339	0.6
195.13803	6.6
205.12241	3.3
209.08093	1.0
213.19287	0.6
223.13289	20.4
229.06053	4.6
241.14343	100.0
242.14677	1.7
257.05569	1.9
285.07571	1.0
308.03094	0.8
329.45163	0.6
374.11420	1.3
402.16315	1.0
420.11816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.06244	0.5
55.05505	1.4
56.96539	0.8
57.03433	0.5
57.07064	2.2
59.01717	0.6
67.05509	3.4
69.03117	0.6
69.03442	3.8
69.07064	3.8
69.69178	0.5
71.63393	0.8
73.02905	0.8
75.25019	0.5
79.05488	7.2
81.03397	1.7
81.07054	100.0
82.07375	1.0
85.02905	9.1
87.00833	3.1
91.03935	0.6
91.05481	1.1
93.07043	1.6
94.09512	0.6
95.04968	1.2
95.08607	17.2
97.02888	6.9
97.93346	0.7
99.04459	1.0
105.01858	6.6
105.07036	0.8
107.08623	1.1
109.02882	1.5
109.10161	0.8
115.03960	0.8
116.98594	0.6
119.08591	0.7
127.03904	7.7
131.04895	0.6
137.05989	0.9
137.13251	22.8
138.13539	0.8
142.47963	0.6
145.04942	4.3
149.02368	0.7
154.15912	0.7
159.02916	1.5
161.05949	0.7
167.07054	1.9
181.04953	0.7
191.07129	0.7
205.08665	0.5
231.05072	2.5
249.06065	0.9
259.12463	0.7
284.09903	0.8
285.10349	0.6
316.09274	0.6
333.08820	0.6
345.30170	0.6
367.18243	0.6
377.06320	0.7
392.08765	1.3
393.09521	1.6
410.26566	0.7
420.07581	2.7
420.16733	0.6
421.09128	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06893	0.9
55.01862	1.0
55.76669	0.7
57.03431	21.7
59.04970	1.0
61.02929	7.6
65.03918	1.0
65.92079	0.8
66.15579	0.8
68.45943	0.8
69.03423	16.4
71.01354	1.5
71.48162	1.1
73.02915	45.5
81.03410	2.5
81.07059	1.6
84.04520	0.9
85.02902	28.0
87.04488	1.5
91.05476	100.0
92.05816	1.3
95.04974	0.9
97.02887	41.8
98.09676	0.9
105.07035	1.0
109.02867	2.7
115.03146	1.5
115.03928	22.5
117.07006	1.9
127.03890	8.8
129.07014	2.1
132.06578	1.1
133.04964	6.4
133.06477	2.0
143.08566	0.8
145.04955	9.1
145.06097	1.0
145.06532	1.4
150.07613	2.9
156.08554	0.9
158.02756	1.1
161.04427	2.5
162.37305	0.9
163.06027	5.3
171.08031	1.2
175.07440	1.0
187.07591	1.2
188.70224	1.0
193.04924	1.2
205.08620	1.7
217.08638	3.9
223.05972	2.7
235.09648	2.7
241.07060	3.5
253.10684	4.5
259.08145	3.3
271.11801	0.9
273.12668	6.7
295.10208	3.1
440.83487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49277	1.9
55.01863	6.7
56.05018	2.5
56.19436	1.9
57.03432	12.3
58.99560	2.1
61.02921	11.8
65.03928	2.1
69.03420	22.3
71.01364	2.9
71.04796	2.9
71.05154	4.6
73.02913	67.7
76.02231	2.9
77.06968	1.8
81.03409	4.0
81.07063	3.0
84.04485	3.5
85.02898	57.8
86.00639	2.0
87.04460	4.0
91.05472	100.0
92.05769	3.0
97.02884	60.7
98.03197	2.1
98.09679	4.7
99.04482	2.7
105.07016	5.7
109.02856	3.2
115.03920	30.5
116.01649	2.8
117.07050	2.6
127.03915	26.2
133.04958	32.6
133.06491	5.8
145.04956	30.1
145.06537	3.9
150.07600	4.9
156.08405	4.9
156.40614	2.2
158.02734	8.0
161.04517	3.2
163.06009	13.1
170.11676	2.8
176.50558	2.2
179.10728	3.6
183.62186	2.0
187.07448	3.8
205.08644	4.9
217.08717	3.4
223.06067	8.8
241.07031	7.0
253.10732	3.8
259.08151	15.3
273.12646	33.7
277.09167	2.8
295.10190	5.9
296.79553	2.4
381.55795	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.1
55.01864	7.5
55.05482	1.6
56.96571	1.6
57.03439	7.9
60.04512	3.2
61.02925	8.1
66.49352	1.4
68.99769	2.7
69.03075	2.0
69.03426	33.9
69.07087	1.2
69.25564	1.4
70.06573	2.4
71.04987	5.7
71.59768	2.1
72.08131	1.5
73.02922	10.6
79.05499	3.0
81.03410	27.1
81.07024	1.8
84.04489	3.9
85.02899	100.0
86.09685	1.7
87.00828	32.8
87.04467	2.6
91.05480	9.1
93.07012	2.3
95.04916	2.0
97.02889	39.8
98.97572	3.5
99.04445	15.1
103.03911	2.4
103.05449	1.7
105.01859	34.7
105.07034	4.3
107.04954	5.5
108.04523	1.8
109.02876	26.8
112.07619	1.9
115.03930	2.6
117.01834	4.5
119.04946	5.1
119.08549	2.9
123.04436	5.0
124.07554	3.3
126.05521	1.7
126.09106	1.5
127.03908	55.5
129.01840	4.3
129.07014	2.3
131.04909	2.1
133.06490	6.0
134.99628	1.5
137.05971	58.6
138.09128	2.1
145.04948	30.3
147.02937	2.0
147.04413	2.8
149.05974	2.8
151.07545	12.0
154.08615	2.5
155.07103	1.9
157.06435	3.1
159.02893	15.2
161.05971	13.3
163.03903	2.5
165.05472	7.4
166.08655	2.3
167.07018	3.3
171.03012	1.8
172.09753	2.6
173.03012	1.5
175.07538	4.8
176.07004	1.8
177.05522	2.4
179.07027	29.6
185.06013	2.0
189.03880	9.6
189.05377	1.5
191.06934	1.8
195.06409	1.8
199.07556	3.1
203.06979	11.4
213.03908	2.9
213.11220	2.5
217.08536	4.4
221.08112	15.8
223.13313	1.8
227.07054	2.3
231.05026	11.5
237.02797	1.7
243.08389	4.0
245.08089	18.1
249.05934	2.5
258.13397	2.3
263.09128	33.1
278.10297	1.6
279.10437	3.9
281.10388	1.6
309.44058	1.7
342.68616	1.4
349.09189	8.3
360.09796	2.2
367.10168	5.1
420.14441	2.1
421.09219	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.8
55.01868	40.2
55.05507	13.7
57.03429	8.1
57.07064	16.9
59.04989	5.9
61.02914	6.5
65.03942	12.2
67.05509	21.9
68.99813	5.0
69.03423	54.5
69.07063	19.5
70.52293	13.4
70.52647	6.0
71.04987	46.9
71.08616	5.1
73.02914	5.9
79.05491	26.2
81.03408	26.9
81.07051	64.3
83.04942	4.4
83.08600	8.4
85.02900	100.0
85.06547	13.8
87.00826	43.7
87.04465	4.6
91.05482	37.6
93.07043	38.3
94.04158	4.3
95.04968	18.7
95.08593	46.1
97.02873	38.6
97.06535	15.7
97.10187	6.2
99.04452	13.9
99.08099	8.9
103.03878	3.9
103.05445	20.2
105.01854	35.9
105.07020	43.5
107.04964	22.4
107.08582	51.0
108.02154	4.1
108.08922	4.8
109.02859	25.6
109.06508	18.7
109.10167	23.2
115.03930	16.4
115.05440	9.7
117.06999	11.4
118.04221	4.1
119.08571	47.9
121.06487	16.5
121.10155	13.8
123.04417	16.7
123.08068	10.2
123.11729	6.5
124.05215	6.0
125.05983	9.7
125.09605	5.0
126.01062	4.2
127.03915	44.2
129.01898	6.8
129.06996	10.2
131.04893	16.9
131.08539	23.0
133.06482	20.0
133.10118	11.0
135.08047	10.2
135.11678	37.6
137.02351	6.6
137.05989	16.2
137.13245	45.2
140.04692	5.0
143.08571	14.5
144.05713	10.0
145.04979	14.6
145.06451	10.3
145.10072	24.7
147.04387	7.7
147.08064	14.0
147.11685	10.7
148.05243	9.2
149.05977	17.9
149.09593	9.2
151.03873	8.3
151.07501	4.5
151.11174	5.1
153.05455	4.7
153.12732	92.9
155.08521	5.3
155.14316	13.0
157.06453	5.5
159.02846	9.1
159.08041	15.5
159.11650	7.0
161.05978	16.3
163.07539	15.9
163.11176	11.6
165.12778	17.3
167.07033	84.4
168.07378	13.2
171.06526	8.6
171.07965	7.6
171.11708	4.4
173.05988	6.9
173.09622	29.7
173.13210	5.4
175.07596	8.6
177.05476	37.7
177.12796	13.7
179.10776	5.3
181.04955	89.9
182.05305	8.3
183.06563	10.7
183.08109	4.5
187.07538	13.7
189.03883	4.5
189.09123	7.5
189.12759	9.9
191.07018	64.7
191.10713	10.3
193.08600	8.8
197.13271	6.9
201.03931	10.8
202.06145	5.3
202.08072	4.9
205.08630	13.1
207.10185	5.6
207.13788	8.5
209.08096	59.4
215.14323	7.0
217.08603	5.7
219.04956	8.5
219.10246	12.3
219.13792	6.2
231.04903	10.6
243.13814	20.9
249.11176	28.3
257.08072	18.7
261.14911	15.9
265.10672	9.6
281.07953	6.0
298.76352	4.8
307.09976	5.5
315.08633	11.6
330.11075	16.6
347.14859	7.7
365.15848	10.6
369.13364	9.5
378.92487	5.4
383.16794	15.4
389.15201	7.1
401.15854	24.4
419.16708	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.7
53.03935	0.6
55.01867	2.3
55.05500	2.0
57.03423	0.5
57.07045	0.5
59.04994	1.9
61.02916	0.5
65.03928	0.7
67.05501	2.0
69.03435	2.8
69.07064	2.8
70.75899	1.3
70.76291	0.8
71.04984	15.2
73.06548	4.2
74.58969	0.4
79.05486	4.9
81.03412	1.3
81.07050	23.0
83.04988	0.7
85.02894	7.2
85.06517	0.6
87.00813	3.4
91.05478	3.2
93.07034	14.8
95.04945	1.9
95.08593	3.8
97.02898	1.3
97.06522	1.5
98.21493	0.4
99.04442	0.6
103.05450	1.4
105.01850	3.6
105.07013	2.7
107.04946	1.8
107.08582	11.3
107.09283	0.8
108.17883	0.4
109.02859	0.9
109.06497	0.7
109.10147	1.9
111.08062	0.7
117.07011	0.6
119.08556	1.0
121.10172	0.7
123.04404	1.5
123.08057	0.6
126.65095	0.4
127.03911	2.8
129.06958	0.6
131.04919	1.1
131.08574	0.7
133.06496	0.9
135.11681	23.0
136.12048	1.0
137.05969	0.9
145.04939	1.6
145.06386	0.9
145.10091	0.5
147.11705	0.6
149.02293	0.4
149.05946	0.9
151.03868	0.5
153.12730	100.0
154.13049	3.5
159.02882	0.5
159.08070	1.2
161.05956	1.3
163.07573	0.8
167.07019	6.9
168.07365	0.9
169.07578	0.9
171.13795	2.0
177.05496	2.3
179.06976	0.4
181.04947	5.4
181.06444	0.6
182.05321	0.6
183.06543	0.8
187.07573	0.7
191.06995	3.8
193.08586	0.7
205.08557	0.9
209.08061	4.2
217.08632	0.5
219.10133	0.9
231.04959	0.7
239.20047	0.5
247.09711	0.7
249.11160	1.9
265.10654	0.6
287.05426	0.5
307.09659	0.4
315.08530	0.8
327.12262	0.7
330.10870	1.1
356.11710	0.4
369.13351	1.1
383.14792	0.5
389.15240	0.6
401.15887	2.4
419.11218	1.0
419.16125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.6
55.01867	16.4
55.05502	7.7
57.03427	17.1
61.02925	10.8
65.03929	2.0
67.05501	15.7
69.03407	9.5
69.06775	1.7
69.07063	20.8
70.47600	2.1
71.05003	11.1
71.05312	2.3
73.02903	21.7
75.52529	2.0
79.05481	16.9
80.69516	1.8
81.03410	3.6
81.07046	46.3
83.04975	23.3
83.08590	6.2
85.02895	63.9
85.06519	6.3
86.09709	3.5
87.00832	3.1
91.05471	17.8
93.06462	3.9
93.07030	55.6
95.04958	23.5
95.08596	30.4
97.02872	4.7
97.06513	28.4
99.04440	14.8
101.02371	13.0
101.05959	2.8
103.03914	6.2
105.07014	35.3
107.04900	6.3
107.08581	29.4
109.02877	5.0
109.06525	15.7
109.10119	7.0
111.08070	40.7
113.02344	17.3
113.06039	3.8
119.08585	22.0
121.06496	27.0
121.10111	6.8
122.05991	2.7
123.04416	3.9
123.08040	9.7
123.11684	18.4
125.05985	12.4
127.03876	5.8
127.07545	6.1
129.07036	2.8
131.03381	13.6
131.08511	5.8
133.06459	3.8
133.10135	24.7
135.04425	3.7
135.08038	16.3
135.11674	3.3
137.05943	7.3
139.07535	19.0
141.05412	3.7
143.07025	9.3
143.08543	3.2
145.04895	2.9
145.10092	8.1
147.08052	5.1
147.11673	55.3
148.12009	3.9
149.04434	6.4
149.13208	4.6
151.07539	5.0
151.11169	13.9
153.09052	2.8
153.12691	10.2
157.08580	8.3
157.10081	9.0
159.06534	7.2
161.05962	3.3
161.09541	2.9
161.13347	4.1
165.12723	23.5
167.07011	5.1
169.12224	48.1
170.97624	2.3
171.10156	2.9
171.11638	6.8
171.13780	6.6
173.04454	25.3
173.09540	3.5
175.11156	36.2
189.12726	16.7
191.05489	100.0
193.10515	1.8
193.12219	49.8
199.11115	10.0
207.13675	9.9
208.14075	3.5
211.13261	70.2
217.12219	36.3
229.14322	33.8
230.04521	3.9
235.13257	42.5
253.14378	31.6
255.06485	5.0
257.07068	5.3
257.17502	2.7
273.09595	3.2
299.05499	4.9
323.14822	3.8
327.12155	2.0
328.20880	2.6
341.15894	4.7
365.15973	29.5
383.07687	3.4
383.17007	28.1
401.17529	2.8
419.17969	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01869	20.1
55.05499	8.1
57.03431	7.9
57.06814	2.4
57.07074	23.6
58.49529	1.5
59.04999	10.7
61.02916	7.0
65.03929	4.1
67.05499	16.6
68.99796	5.5
69.03422	37.4
69.07067	17.1
69.47440	14.8
71.01351	2.1
71.04993	11.1
73.02917	12.7
73.06554	1.9
74.57215	1.5
79.05498	7.3
81.03416	48.6
81.07053	20.6
83.01337	4.2
83.04983	3.0
83.08605	4.6
84.08124	3.0
85.02898	86.6
85.06535	10.5
87.00826	28.5
87.04459	2.6
91.03934	4.4
91.05448	6.8
93.07032	13.8
95.04995	9.6
95.08602	72.5
97.02888	29.6
97.06525	6.8
97.10178	2.7
99.04442	18.0
99.08086	16.0
103.03938	2.0
103.05461	3.7
105.01871	23.2
105.07005	8.0
106.63351	1.6
107.04955	9.1
107.08587	16.0
109.02875	45.4
109.06522	9.6
109.10152	20.3
111.04433	3.1
111.08078	10.1
111.11676	3.4
113.02385	1.6
113.09638	77.9
115.03931	5.5
115.05425	2.8
117.01836	3.6
117.07018	3.7
119.04919	7.0
119.08547	4.3
121.02873	22.7
121.06506	4.6
121.10147	4.6
123.04427	6.2
123.08099	2.4
123.11689	13.8
124.18330	1.7
125.06005	2.9
127.03912	63.9
127.11183	10.2
128.06215	1.7
129.01820	6.0
129.06969	1.8
131.04915	5.0
131.08553	4.5
133.06488	3.5
133.10129	4.6
135.04411	2.6
135.08026	3.4
135.11665	16.6
137.02348	3.4
137.05995	9.0
137.09584	1.8
137.13245	11.3
139.03917	2.2
140.04628	1.6
141.06876	1.6
144.05617	1.7
145.02866	1.5
145.04941	25.1
145.06055	2.4
145.06509	1.6
147.02890	3.4
147.04416	2.0
147.11667	4.1
149.02332	1.9
149.05971	4.2
151.03874	3.0
151.11203	7.5
153.05400	1.9
153.12737	100.0
154.13118	3.1
155.07022	2.7
155.14302	35.1
159.02885	26.7
159.08035	4.1
161.04477	2.6
161.05925	4.7
161.09592	2.0
162.59720	1.5
163.03877	4.5
163.07535	5.1
165.01965	2.0
165.12848	2.0
167.03368	1.6
167.07025	19.8
168.07784	1.7
169.01335	1.8
169.12233	9.4
170.07217	2.6
170.12630	1.9
171.06557	2.0
171.13797	24.5
173.04576	1.7
173.05978	4.2
175.07448	2.2
177.03970	1.4
177.05464	5.4
177.09106	13.9
177.12756	3.5
179.03430	2.8
181.01328	3.0
181.04942	16.6
183.02914	4.7
183.06474	7.5
187.07616	4.3
189.12720	1.6
191.05447	6.8
191.07033	8.5
193.08519	1.9
193.12202	3.3
195.02831	5.5
199.02336	7.8
203.03499	1.9
203.07115	2.4
205.08528	3.3
206.09225	1.8
207.03072	1.8
207.13721	1.6
209.08060	10.4
211.13312	4.4
213.03926	3.6
213.14842	4.2
217.08633	3.3
217.12239	3.5
219.02892	2.2
219.10062	9.0
221.08000	1.6
225.14781	2.0
229.14197	2.4
231.04956	16.5
231.10155	5.3
235.07509	1.5
235.13226	2.4
239.16385	1.8
249.05981	3.2
249.11241	3.5
259.07623	1.4
263.06979	2.6
264.07526	1.8
265.03320	2.0
279.10226	2.3
283.06015	5.8
286.04700	6.3
287.05481	5.2
295.05972	2.6
296.11194	1.4
297.03854	5.2
297.07565	6.1
299.05502	61.2
299.08899	2.9
300.06082	8.0
305.08038	1.5
307.06088	2.0
307.09518	2.3
309.07501	2.2
311.05585	9.3
313.07019	12.2
315.79480	1.6
321.07452	2.4
323.05527	2.6
325.07037	23.2
326.07516	2.0
327.08627	2.4
329.06552	39.6
330.06827	5.3
332.32861	1.6
337.07010	22.3
337.10599	3.4
338.07239	4.4
341.06497	7.3
353.06567	53.6
354.06839	6.0
355.07999	1.7
365.06567	22.9
365.16068	1.8
369.13260	5.4
383.07596	71.5
384.07877	6.7
389.15790	2.8
401.08652	16.3
401.15994	19.3
419.09882	19.7
419.18991	27.0
420.09888	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1698
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.03925	4.1
55.01865	21.0
57.03428	4.0
57.07075	3.4
65.03943	5.3
65.11526	3.3
67.05494	3.6
69.03414	7.4
69.07043	4.3
70.07309	14.3
73.02907	4.1
79.05485	16.8
81.03405	3.2
81.07045	7.0
85.02895	9.4
91.05466	12.1
93.07037	8.8
95.04981	13.3
95.08608	5.1
97.02857	4.5
103.05461	11.4
105.07020	12.2
107.04948	29.3
109.02855	4.2
110.03706	3.3
115.03970	2.8
115.05442	5.9
116.06216	3.0
117.07005	4.3
119.03155	3.2
121.02878	3.7
121.06516	8.2
123.04424	17.9
124.05203	5.6
125.05997	5.5
127.03971	3.8
129.06978	9.4
131.04895	10.1
131.08568	13.1
133.06482	8.4
133.10112	3.6
137.05984	9.3
137.09695	4.0
139.03938	3.4
140.04677	4.0
141.06958	5.7
144.05676	8.6
145.06459	9.0
147.04405	5.1
147.11722	4.4
148.05199	3.3
149.05977	7.5
153.05426	5.3
153.12744	5.7
156.05740	4.2
159.08028	19.9
161.05951	13.0
161.09624	4.4
163.07498	8.0
167.05629	5.2
167.07027	100.0
169.07590	3.2
170.07257	4.5
171.06552	5.3
173.05975	7.4
175.07536	5.5
177.05499	20.2
179.08621	3.8
181.04961	50.7
183.06552	25.1
187.07578	19.6
189.05528	5.0
189.08997	4.5
191.06995	38.1
191.08560	4.0
193.08617	9.5
198.06686	3.2
203.06902	5.1
204.07784	7.2
205.08594	8.7
206.05739	2.9
207.08040	4.0
209.08080	40.5
209.09914	3.7
217.08649	7.1
219.08081	5.8
219.10153	20.2
221.06084	3.5
221.08099	8.7
231.08115	5.5
231.10205	8.5
234.06699	3.1
235.07561	5.2
236.08321	3.7
247.07393	6.5
247.09773	5.2
248.08331	5.4
249.08916	4.3
249.11229	91.4
261.09155	3.7
263.07016	7.7
264.07770	6.6
265.08420	3.6
269.08118	4.3
276.07809	3.2
277.08469	6.4
279.10287	7.0
287.05441	46.1
287.08487	4.6
290.09454	3.5
291.10037	5.3
293.07825	4.0
295.09586	7.4
307.09641	12.9
308.10193	4.2
309.11267	6.5
311.12671	3.3
314.53763	3.0
315.08737	5.5
319.09598	4.3
323.09183	5.9
323.12830	4.3
324.09799	3.3
330.10898	10.8
337.10837	3.2
338.11868	2.6
339.12195	3.8
351.12350	7.4
369.13376	33.2
371.14703	3.6
383.14966	2.9
389.15875	14.2
401.15973	77.7
419.17236	15.6
419.22171	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18409	1.6
55.01865	2.6
55.05504	3.8
58.99586	3.3
60.81176	1.6
67.05503	11.3
69.03431	1.7
69.07057	6.0
71.63231	3.0
73.02921	12.1
74.00662	12.6
75.73436	1.8
76.02205	7.7
79.05487	3.5
81.07060	15.2
83.08611	3.8
86.00648	7.4
86.99048	2.5
88.03996	2.2
91.05470	2.3
93.07082	3.3
95.08607	29.6
99.01411	2.0
100.02180	4.3
105.00072	5.3
105.07034	3.2
105.97822	3.2
107.08589	3.1
107.99404	6.3
109.06497	1.7
109.10154	8.3
111.72523	1.7
113.04760	3.6
116.98621	1.7
117.07011	1.8
119.08554	4.4
120.01141	5.2
121.10153	2.3
122.02726	100.0
123.04406	2.2
131.99368	51.7
132.01076	5.0
133.10139	2.1
135.11649	3.2
136.97253	9.8
144.01134	3.1
145.01924	18.4
151.14790	4.2
153.99910	50.0
169.15851	2.4
171.11743	2.1
177.99916	90.4
179.14383	2.1
187.35419	1.7
191.94682	2.0
195.02586	24.1
196.85167	1.7
201.82571	1.9
205.99348	2.6
214.17967	2.2
223.02046	66.9
248.16495	2.9
266.17523	36.4
267.17987	2.3
270.31232	1.9
373.16119	7.5
391.17416	4.1
402.62222	1.8
419.11169	4.0
419.16580	35.4
420.16476	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.05506	4.5
56.96544	5.3
57.07078	1.8
58.99568	2.5
67.05501	9.8
69.07041	4.9
71.63170	3.0
71.63548	1.7
71.77824	1.5
73.02920	10.9
74.00664	14.5
76.02233	9.0
79.05487	2.3
81.07058	13.1
81.09613	1.5
83.08590	3.1
86.00640	5.8
86.99059	2.3
91.05470	5.1
93.07028	3.6
95.03710	1.5
95.08600	29.5
100.02168	3.7
100.03979	2.1
105.00089	4.5
105.07010	4.9
105.97847	4.1
107.08580	4.4
107.99387	7.0
109.06540	2.2
109.10142	11.0
110.06040	2.2
110.76438	1.5
113.04731	4.7
119.04910	2.4
119.08582	3.8
120.01152	2.5
121.10160	2.2
122.02724	100.0
131.99370	50.9
132.01117	6.2
135.11714	2.8
136.97229	13.5
144.01140	2.1
145.01938	18.5
145.10225	2.8
149.02249	1.8
151.14815	4.1
153.99899	44.6
161.06030	1.8
161.13246	1.8
163.07509	1.9
168.04559	1.7
169.15892	2.9
177.01448	2.3
177.99910	99.5
190.00166	3.5
195.02563	22.9
205.99405	3.0
214.17998	2.0
220.17116	2.4
223.02054	83.7
238.17958	2.5
238.99051	2.7
244.03691	2.5
245.04626	1.8
247.05328	1.9
263.98804	1.9
266.17517	43.0
269.04507	2.8
270.05304	2.8
280.03137	5.0
298.04141	2.1
305.02637	11.6
323.03708	18.0
324.01877	11.6
335.03644	6.2
336.00571	3.6
346.05298	2.8
347.04068	2.1
359.03717	15.5
373.16043	10.5
376.57181	3.7
377.04797	57.1
378.00900	4.0
378.05118	5.4
379.00595	2.7
379.08325	4.8
388.08932	5.3
391.17184	6.6
397.09302	5.6
399.59695	2.4
400.06235	14.6
401.22961	2.3
408.59888	2.8
419.11099	2.5
419.16669	42.6
419.33041	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
63.63661	0.3
69.03421	1.0
69.07058	0.5
69.94583	1.7
73.02912	0.5
74.06074	0.7
79.05457	0.4
79.12764	0.3
84.04485	0.7
84.08096	0.3
85.02888	1.7
85.26411	0.3
86.09704	1.1
87.05598	0.5
97.02876	0.8
98.21455	0.7
98.97559	0.5
116.98588	0.5
124.03971	0.5
127.03897	2.4
134.99672	0.8
137.05997	0.6
145.02838	0.4
146.99825	0.4
151.03880	0.5
155.01892	0.4
161.02936	0.5
168.06580	0.9
171.06551	0.5
173.02943	0.6
177.08762	0.8
202.68791	0.3
204.08514	0.4
215.13861	0.5
237.02794	0.8
275.06137	0.8
287.10980	2.0
295.88449	0.4
333.08008	1.2
335.09583	0.4
383.19409	0.4
419.15216	100.0
420.15994	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58237	0.9
55.01868	2.3
55.59833	1.0
56.96563	7.3
57.03433	3.8
61.02937	2.4
67.05495	1.4
69.03432	4.8
69.07056	4.0
70.06582	3.3
71.60243	1.5
73.02908	11.9
77.91119	0.9
81.03413	1.3
81.07043	1.5
83.71429	1.0
84.04503	1.8
84.08151	1.1
84.96057	3.0
85.02901	9.7
86.09724	1.2
91.05477	13.3
93.07014	1.4
94.06552	1.5
95.04992	1.5
97.02895	7.6
97.96837	1.4
98.09691	1.7
98.97573	29.9
105.07049	1.1
109.02911	1.8
110.97569	4.5
115.03939	2.7
116.07104	7.1
116.98613	15.0
122.06003	2.5
123.11705	1.3
127.03899	2.1
128.98593	6.6
131.00179	2.2
132.31911	1.0
133.04962	3.5
134.99666	8.6
137.05989	3.5
140.07040	2.1
143.00214	1.6
145.04936	3.7
145.06499	1.2
146.99672	5.2
148.07561	1.2
152.98645	1.7
158.02736	1.9
158.99651	9.7
161.01216	3.8
162.99118	1.4
163.06093	1.1
163.07614	0.9
170.99686	4.0
177.00705	11.7
189.00685	5.5
219.01761	5.3
230.04463	3.7
230.08191	1.2
231.01736	2.1
237.02840	12.2
242.08170	2.6
249.02974	1.4
260.09189	1.2
273.12668	6.4
278.10251	3.3
287.08087	3.3
287.11044	2.0
291.03802	2.9
305.09039	30.7
306.09439	1.4
309.04959	1.0
312.24722	1.1
317.08438	22.7
323.10071	2.0
328.10587	1.7
419.15430	100.0
420.14548	1.8
437.13483	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	419.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01868	3.9
56.96569	0.6
57.03413	1.9
59.02704	0.5
61.02921	2.4
65.03938	1.0
68.99429	0.5
68.99780	1.8
69.03075	0.6
69.03426	8.5
71.04985	1.4
71.59541	0.8
73.02917	2.5
73.31104	0.5
75.49837	0.5
79.05500	0.8
81.03413	10.0
83.04980	0.7
84.04464	0.7
85.02898	22.2
86.03188	0.6
86.09671	0.6
87.00822	9.2
89.06010	4.3
90.06368	1.5
91.03932	1.3
91.05453	0.8
95.04952	0.9
96.32387	0.5
97.02882	11.9
97.06514	0.6
98.97573	1.1
99.04460	3.7
99.04989	0.5
103.03928	1.0
105.01849	6.0
107.04939	4.8
109.02191	1.0
109.02872	8.5
111.04433	5.1
115.03925	0.6
116.98624	0.6
117.01878	1.1
121.06563	1.0
123.04451	1.0
125.06008	1.2
127.03909	15.8
129.01817	2.0
133.08598	1.9
134.08971	1.0
135.04414	1.4
137.05966	2.1
137.93076	0.6
139.02901	0.9
139.03893	9.7
141.01828	0.6
145.04930	5.9
145.06090	0.6
145.06508	0.7
147.02898	2.0
149.02295	1.0
149.05980	0.8
151.03967	0.8
153.05382	0.7
159.02873	5.4
163.03873	6.2
163.07565	0.7
163.39316	0.5
171.02934	0.6
171.06506	10.9
177.05492	1.8
181.04926	2.9
189.03903	0.6
191.07065	0.8
193.04909	0.5
195.06526	6.8
205.05013	0.6
207.06494	1.8
208.07339	0.6
213.07570	6.5
222.05229	0.9
231.05101	1.6
233.08035	1.2
237.02829	1.0
237.07570	5.6
239.14816	3.7
240.15164	4.9
261.07571	3.1
264.06219	0.5
279.08597	5.8
287.11081	4.0
305.10956	0.9
367.10330	0.9
401.13403	0.8
419.15201	100.0
420.15533	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01868	1.3
56.96545	1.0
57.03414	1.3
60.80807	0.5
61.02905	1.5
69.03426	3.8
70.06554	0.8
71.30475	1.1
72.08170	0.5
73.02895	1.2
79.05460	0.6
81.03413	2.3
85.02422	0.8
85.02899	10.7
87.00813	1.2
87.04433	1.2
89.06024	56.9
90.05520	0.6
90.06383	0.8
91.03927	0.9
91.07551	0.5
95.04965	0.5
97.02883	3.5
97.06505	1.3
98.97572	1.2
99.04430	1.4
105.01843	0.8
105.03384	0.4
107.04931	1.2
107.07051	2.2
109.02855	2.3
109.10092	0.5
111.04411	1.0
116.98581	0.7
117.03352	0.5
124.07545	0.6
127.03914	4.0
128.98582	0.6
130.08620	0.7
133.08594	30.3
134.99634	0.7
135.04413	0.7
137.05952	0.8
139.03896	1.3
145.02827	1.4
145.04929	2.0
147.04440	0.8
149.05975	0.7
150.05533	0.6
151.03873	0.7
151.09671	2.5
152.07039	0.5
152.33249	0.4
153.05492	0.5
155.04913	0.5
158.02734	0.6
159.02852	0.7
163.03929	1.2
164.07051	0.7
167.07030	0.9
171.06491	1.8
176.03772	0.7
177.00627	0.5
177.05452	3.0
177.11188	4.5
181.04958	1.2
193.06439	2.1
195.06476	1.2
195.12274	1.7
213.07692	0.6
219.01868	0.8
220.09691	0.7
237.02722	0.9
237.07492	0.7
239.14874	100.0
239.84181	0.5
240.15245	2.2
256.11926	0.9
279.08597	0.6
285.16797	0.6
287.11035	1.0
346.74179	0.5
418.16739	1.3
419.15222	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	419.0967
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03427	0.8
57.49276	0.2
58.47829	0.3
59.00014	0.3
61.02916	1.6
61.80215	0.2
65.03903	0.4
67.05500	0.4
68.99773	0.5
69.03407	0.6
69.97334	0.6
69.97744	0.9
71.01337	0.4
73.02912	13.7
78.99459	0.3
79.05473	0.4
85.02859	0.7
89.69063	0.3
95.04951	0.4
98.20818	0.4
103.05467	0.5
107.04938	0.6
111.00787	0.7
115.03926	0.9
119.92747	0.3
121.02863	2.3
122.18182	0.3
131.04922	0.3
133.02814	0.7
137.02293	0.8
142.36647	0.2
145.06473	0.5
147.04343	0.8
153.01805	2.9
157.06421	0.5
159.07990	0.3
161.05927	0.5
163.07521	0.5
165.01831	1.5
167.07004	1.1
177.05458	0.3
181.04936	1.5
183.02895	0.8
191.07106	1.4
209.08052	0.8
211.69614	0.3
211.71910	0.3
213.05405	1.0
231.06415	0.8
241.04907	0.6
241.92651	0.3
249.11142	0.9
258.05225	1.1
259.05948	0.4
287.05475	100.0
288.05807	3.7
304.00745	0.3
369.13733	0.4
401.16092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
51.27734	0.5
53.03942	3.4
55.01865	1.7
55.05508	4.9
56.21414	0.5
57.03427	0.9
61.02905	0.8
65.03934	1.7
66.45881	0.5
67.05508	2.7
68.05880	0.5
68.99762	0.5
69.03421	3.4
69.07068	3.8
70.12367	0.5
70.92724	1.1
71.05009	0.8
73.02916	1.1
77.03925	1.2
79.05048	1.1
79.05491	13.5
81.03426	3.8
81.07051	3.3
83.08648	0.6
85.02908	8.5
87.00825	2.5
91.04885	0.9
91.05476	24.0
93.07040	91.8
94.07353	1.3
94.07873	0.9
95.04968	8.4
95.08604	1.7
96.08936	0.6
97.02895	3.6
99.04446	2.3
103.05461	0.8
104.05764	0.7
105.01852	3.7
105.04501	1.1
105.07031	7.8
107.04985	1.1
107.08591	100.0
108.04489	0.9
108.08254	0.4
108.08948	2.1
109.02882	4.3
109.06506	4.1
109.10144	0.7
115.05442	0.6
117.07024	1.3
119.06074	1.6
119.08584	1.7
121.10155	1.0
123.04450	1.9
126.05497	0.6
127.03918	8.3
131.04877	0.6
133.10121	0.7
135.11688	38.0
136.12074	0.6
137.05989	0.7
145.04941	2.9
145.06477	1.6
146.06856	1.3
147.02849	0.5
159.02899	2.8
161.05997	1.0
162.06325	0.6
163.07491	0.6
167.07050	12.3
167.08386	0.5
168.07367	7.3
173.05992	2.7
174.06351	2.1
181.04939	4.7
182.05283	3.0
191.07043	1.0
195.07965	1.2
196.08424	1.4
201.09113	0.6
213.09186	0.7
214.09413	1.4
216.10567	0.6
231.05019	1.3
233.08183	0.7
234.08498	1.0
236.09970	0.7
308.17276	1.2
314.56738	0.5
326.18185	1.1
344.19357	0.5
388.14709	2.1
407.23608	0.5
418.15744	7.8
418.22757	1.6
418.30386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05494	1.4
59.05005	1.0
64.49570	0.8
65.56121	0.9
67.05482	1.2
69.03394	1.2
69.07053	1.6
71.04977	0.9
71.48615	0.9
71.60245	1.6
73.53159	0.8
76.94730	0.8
81.07027	1.6
83.04973	2.6
85.02892	3.8
91.05481	2.4
91.47795	0.9
93.07031	2.4
95.04958	1.6
95.08596	2.6
97.02876	1.5
105.07029	2.3
107.04961	1.3
107.08595	1.8
109.10159	1.1
111.08057	1.3
115.05469	1.1
119.04961	1.1
119.08508	1.1
123.04441	1.4
123.08031	1.5
127.03848	0.9
133.10103	1.8
134.10397	1.1
137.05966	1.8
139.46365	1.0
140.04927	2.3
145.04897	1.2
155.06047	12.9
161.05983	1.5
167.05945	2.6
167.07108	2.9
168.06828	1.4
169.07591	23.6
170.05983	2.0
179.06013	8.8
181.04951	3.3
181.07555	1.8
182.05998	1.8
183.05511	12.3
183.09169	1.6
184.07539	1.2
185.07144	6.2
193.07565	8.0
194.06161	1.8
195.05518	19.4
196.06261	9.6
197.07074	21.4
198.05519	3.5
198.07329	1.1
207.05467	5.3
208.06157	1.4
209.07031	2.7
211.05031	1.5
211.08636	3.4
213.06592	15.4
221.07111	14.9
223.05008	1.7
225.06564	35.8
226.07007	2.1
227.08205	1.3
229.06100	14.6
237.06523	3.5
237.18378	1.1
238.07385	3.0
238.18860	3.8
239.04486	1.9
239.08105	17.5
241.06065	3.1
243.07709	4.7
249.06567	7.2
253.06078	3.0
253.08511	1.0
255.07594	1.3
257.05606	3.8
265.06119	1.5
266.06619	1.4
267.07635	13.2
269.05603	3.3
271.07123	26.1
277.06003	7.9
283.07214	1.3
285.08676	24.6
285.10974	0.9
286.08929	1.1
295.07114	27.4
312.09845	1.8
313.08154	29.2
331.09305	9.5
336.09796	1.1
340.09320	3.9
354.10724	2.9
358.10327	31.8
365.80576	0.9
372.11798	2.7
382.10397	5.8
400.11353	41.0
400.16605	2.3
401.11734	1.2
401.16205	1.6
418.12405	100.0
419.12796	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	417.2632
Annotation	vibsanin B
Peak:m/z	Relative Intensity
51.93515	7.9
53.48784	8.8
55.05505	59.9
63.30787	8.5
67.05510	49.8
69.07059	30.8
70.77100	27.1
71.05014	9.7
79.05492	17.0
81.07064	58.6
83.04982	64.3
91.05470	41.6
93.07056	43.1
95.04980	15.3
95.08600	83.3
97.06538	19.6
98.98491	21.8
105.07019	39.8
107.08605	57.0
109.10133	74.6
111.04464	17.0
111.08083	16.2
119.08570	74.2
120.08817	7.1
121.10133	51.2
123.08060	12.4
123.11710	12.5
131.08595	17.2
133.10146	53.7
135.11723	18.5
137.09578	11.6
138.34160	8.9
139.11171	9.6
143.08612	10.6
145.10109	31.7
147.11670	49.9
149.09691	9.8
149.13322	18.0
151.11203	9.5
155.01038	23.8
159.11703	36.0
161.09695	10.5
161.13252	21.6
163.14850	26.6
165.09192	9.6
169.10196	9.4
171.11690	17.4
173.13293	21.5
175.14801	10.8
181.10211	8.2
183.11797	9.2
187.14877	16.1
189.16519	11.1
191.17986	12.2
195.17372	8.7
197.13318	14.1
199.14972	9.4
201.12679	11.0
201.16429	7.9
205.15784	9.7
243.13943	10.9
248.46783	8.9
257.18942	16.1
263.23645	14.5
275.20053	13.6
299.20020	58.0
317.21143	100.0
381.31680	10.5
417.25989	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	417.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90559	0.5
53.03931	0.6
53.61045	0.6
54.09665	0.6
60.41720	0.6
65.92091	0.6
69.07057	0.6
69.54778	3.5
69.55182	1.1
75.91964	0.6
81.07055	1.5
83.08569	0.6
91.05453	0.8
93.06986	0.8
95.04965	1.0
98.20814	1.2
107.08631	1.0
109.10169	1.3
119.08617	3.0
120.08893	1.6
121.10126	1.0
128.50256	0.6
133.10117	0.7
135.38844	0.6
143.08487	0.7
145.10167	0.6
166.87361	0.5
187.07452	0.6
252.07660	0.6
310.46701	0.6
314.25128	0.6
325.17911	0.8
369.91470	0.7
417.28192	100.0
418.28622	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	417.2632
Annotation	vibsanin B
Peak:m/z	Relative Intensity
53.03915	4.5
55.05510	33.3
57.07064	6.7
67.05499	27.1
69.07050	17.3
69.07376	3.9
70.06583	11.8
71.61472	5.6
72.52777	4.3
79.05497	20.8
81.07050	36.8
83.04971	44.3
83.08603	9.4
85.06535	10.3
88.07601	11.2
91.05451	23.9
93.07037	36.6
95.04977	4.9
95.08592	45.0
97.02863	6.6
97.06512	11.2
97.10160	4.3
101.06042	5.9
102.09173	6.8
102.99156	4.4
105.07034	37.1
107.08582	43.9
107.83437	4.0
109.06485	7.3
109.10164	46.6
111.04462	20.3
111.08051	11.0
117.06991	9.5
119.08578	65.9
121.06485	9.9
121.10148	27.9
122.10345	4.0
123.08078	8.9
123.11707	15.4
125.06063	4.0
128.06213	4.8
131.08545	12.3
133.10138	39.7
135.08038	12.9
135.11693	15.2
137.09583	21.7
145.10130	33.5
147.08061	4.4
147.11700	41.4
149.09592	4.7
149.13213	9.8
151.11128	8.8
155.08559	7.4
157.10094	13.3
159.11664	18.8
161.09654	5.8
161.13239	15.4
163.11301	5.4
163.14824	12.7
169.10165	10.6
171.11656	17.4
173.09602	4.8
173.13248	11.1
173.66029	3.5
175.11211	7.7
175.14861	8.0
183.11562	10.3
185.09570	5.7
185.13225	7.7
187.11195	9.3
187.14777	11.0
189.16313	7.3
191.10667	4.7
197.13226	12.1
199.14862	5.0
201.12711	4.6
201.16325	7.2
205.15930	8.0
213.16298	6.7
225.12808	5.0
229.12166	5.1
239.18031	9.0
243.13904	8.0
245.15398	4.7
253.19371	8.0
256.26349	12.3
257.18820	8.2
257.26678	15.2
271.20566	10.4
275.20093	6.1
281.18951	10.3
289.21741	4.8
299.20029	55.6
312.66519	4.6
317.21100	100.0
318.21313	4.6
396.49524	4.2
417.26718	7.5
417.35931	39.6
418.38834	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	417.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21778	0.6
56.96535	0.9
58.06595	36.6
60.02071	0.7
65.03936	1.0
67.05477	2.6
69.07063	1.4
69.33849	5.2
69.34261	1.5
78.04685	1.3
78.80698	0.6
79.05482	2.3
81.03387	0.6
81.07050	2.1
83.04970	0.7
85.02909	1.6
86.06078	1.1
86.09685	2.4
91.05476	3.5
93.07029	2.1
95.04948	1.8
95.08599	2.8
97.02904	0.9
103.05447	2.4
105.07009	4.2
106.04189	0.9
106.35459	0.7
107.04928	3.1
107.08588	1.1
109.10133	1.3
110.48602	0.7
111.04362	0.7
111.08129	0.7
113.07098	1.8
115.05449	2.6
115.08681	27.0
117.07018	3.3
119.07315	5.0
119.08578	1.2
123.04425	4.1
124.05197	1.5
125.05996	1.3
131.04903	1.7
131.08578	1.0
133.06447	0.7
133.10091	1.3
134.09639	100.0
135.10001	1.2
135.11693	1.3
137.06023	1.0
139.07365	0.8
143.08148	35.9
145.06497	3.6
145.10046	0.7
147.04340	0.7
147.11722	1.1
150.00768	0.6
151.03947	1.4
151.11282	0.7
152.04642	1.7
155.06027	1.2
162.09106	2.1
163.07494	0.8
167.07021	51.9
168.07365	2.2
171.06555	1.1
171.14931	2.4
173.05983	8.3
177.05397	0.7
180.10178	3.2
181.04939	20.3
181.06487	1.4
182.05367	0.8
187.07582	0.8
191.07043	2.7
191.11792	2.1
195.06540	0.8
199.14409	3.0
205.08591	1.5
208.81850	0.7
210.16026	3.2
219.11259	7.4
233.08040	3.6
235.09541	0.9
238.15469	10.9
242.17944	0.7
247.18040	2.6
256.16541	3.6
258.14856	0.7
275.17545	0.6
304.16510	22.0
314.18732	2.6
325.17996	1.7
329.18646	2.8
332.19684	1.1
360.22894	1.4
387.14267	6.4
388.14536	1.0
397.21051	0.7
399.14297	0.8
417.09720	1.0
417.15424	18.7
417.24557	8.9
418.15625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01862	1.4
55.05512	3.4
57.07056	1.9
58.02618	0.9
65.03931	3.3
67.05499	5.2
69.03422	2.9
69.07049	5.0
70.04838	2.1
70.05254	3.2
71.04986	10.2
73.02905	1.8
78.04705	2.0
79.05475	8.7
81.03402	1.4
81.07044	16.7
83.05000	2.1
83.08597	2.6
84.08124	6.4
85.02916	6.0
85.03347	1.0
85.06536	2.8
91.05491	8.6
93.07040	10.8
95.04961	3.8
95.08601	11.8
97.02898	1.7
97.06540	1.8
99.08078	2.5
99.97831	1.0
103.05446	3.3
105.07025	19.2
106.04160	1.7
107.04964	6.0
107.08590	10.1
109.02874	1.3
109.06501	1.7
109.10153	5.7
111.04415	1.0
111.08053	1.2
113.87122	0.9
115.05440	3.6
117.07025	5.6
119.08591	6.3
121.06485	2.4
121.10149	7.5
123.04446	7.0
123.08038	1.4
123.11718	2.7
124.05196	2.8
125.06046	2.2
125.09637	8.6
127.03895	1.5
127.07541	1.1
127.11200	2.9
127.87231	1.0
129.06985	1.6
130.08618	1.0
131.04950	1.9
131.08575	5.1
133.10123	32.0
135.08051	2.6
135.11656	2.0
137.06007	3.0
139.11211	1.1
143.10660	13.1
145.06479	10.4
145.10112	5.1
146.42996	0.9
147.11684	6.3
148.05247	1.7
149.05963	1.3
149.09598	1.1
149.13252	5.5
151.07547	3.1
151.11147	2.1
152.04706	1.2
155.06053	2.0
156.05795	1.1
159.11673	3.9
161.05983	2.5
161.13303	1.9
163.07545	3.6
165.01917	1.2
167.07031	100.0
167.14314	16.7
168.07396	3.9
169.12183	1.4
171.06549	2.8
171.11617	1.2
173.05980	13.0
174.06400	1.3
175.07518	1.6
175.11346	1.3
181.04951	41.3
182.05313	1.8
191.07004	9.0
192.07419	0.9
201.05505	1.6
201.16405	2.6
205.08607	4.1
217.08640	2.5
219.10033	1.1
219.17448	15.3
221.08072	1.1
226.54694	1.0
233.08052	4.5
235.09625	3.4
237.18495	3.8
255.06483	5.6
256.07181	5.3
263.06750	1.2
267.06479	5.0
271.05908	2.1
279.06357	1.4
297.07465	5.3
321.07227	1.5
329.40607	1.1
337.10727	1.2
340.03714	1.2
363.08679	1.0
371.14929	1.4
375.56784	1.1
381.09375	1.7
387.14380	11.2
388.14734	1.4
399.14194	2.2
399.32294	1.3
417.15622	32.1
417.20718	1.4
417.33124	1.9
418.15753	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	417.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03934	3.1
55.01863	5.9
55.05302	1.7
55.05513	21.8
57.03434	14.8
61.02917	3.4
63.64668	1.7
65.03949	3.3
66.14192	1.5
67.05499	23.5
69.03432	6.0
69.07052	8.5
70.74005	4.2
78.04710	3.5
78.86390	1.8
79.05479	20.6
81.03408	9.5
81.07052	21.9
82.46399	1.8
83.04984	5.4
83.08608	6.9
84.92168	1.7
85.02883	5.6
85.06517	2.9
91.05478	16.4
93.07034	13.1
95.04956	8.9
95.08611	15.2
97.02904	4.8
97.06534	4.4
97.10166	4.5
102.42461	1.7
103.03913	2.0
103.05459	9.2
103.36880	1.8
105.07019	14.1
107.04946	11.4
107.08592	11.8
109.02828	1.8
109.06488	2.4
109.10187	4.2
111.04402	3.4
111.08062	2.9
113.71215	1.7
115.05469	12.8
117.07037	20.5
118.04174	1.8
119.04966	2.2
119.08577	5.2
121.10156	6.4
123.04431	26.1
123.11710	3.1
124.05217	4.2
125.09629	5.2
127.05361	2.4
128.06187	3.7
129.07013	9.6
131.04930	12.6
131.08553	6.9
133.06480	5.2
133.10114	5.0
135.11693	7.4
137.05981	4.4
137.09718	1.8
141.07005	8.6
143.04921	9.7
143.08597	8.9
144.05702	3.5
145.06476	30.0
145.10107	6.3
147.04391	5.6
147.08047	4.3
147.11674	5.1
149.05945	13.0
151.07495	2.0
152.04770	2.1
152.06241	4.8
153.05713	2.1
153.06958	9.5
154.07771	4.4
155.06094	2.0
155.08543	13.8
157.06531	14.5
157.10098	5.4
158.10976	1.8
159.08006	2.3
159.11708	3.8
160.05209	5.1
161.05989	28.0
162.06757	2.6
163.07533	18.8
165.06976	8.2
166.07704	4.0
167.07040	100.0
167.08557	23.0
168.07382	3.0
169.06458	5.7
169.10127	8.3
170.07146	2.0
171.06688	4.5
171.08058	4.9
171.11699	3.1
172.05193	9.2
173.05984	62.4
173.09567	1.9
173.13188	2.3
174.06471	4.8
175.07544	10.4
178.07747	2.9
179.08578	6.0
181.04951	46.1
181.06491	17.8
181.10075	4.3
182.07251	3.1
183.08057	14.9
183.11665	3.1
185.05989	8.1
185.09616	5.3
185.13275	2.2
186.06757	3.9
187.07562	25.5
189.05515	3.5
189.09123	4.6
191.06976	9.2
193.12263	4.3
194.07327	3.1
195.06255	3.8
195.08044	73.6
195.11641	2.2
196.08543	2.1
197.05949	2.3
197.09630	20.5
198.06726	3.2
199.07532	20.0
199.13203	2.2
200.08368	3.4
201.09120	21.7
205.10286	2.3
207.08080	2.3
209.09641	8.7
211.07481	4.4
212.08376	2.0
213.09102	57.5
215.10765	8.7
217.08817	2.2
219.17604	2.1
221.09599	6.4
223.11171	4.5
225.09177	3.4
227.10686	5.2
233.08069	6.4
235.09538	3.5
237.09094	2.4
237.12762	2.1
239.10707	4.0
241.08391	2.3
241.12308	2.7
247.11270	3.3
251.10742	2.1
255.13863	2.3
256.14471	9.3
279.17480	12.4
283.13385	2.3
284.13879	11.9
287.16476	3.8
289.15881	8.0
297.18448	5.5
299.16547	3.9
302.15161	3.3
307.16937	42.3
307.20285	3.8
325.17950	48.5
326.18222	2.2
343.19043	14.5
358.17960	2.3
381.20538	2.8
387.14337	13.2
399.21399	6.2
417.09933	4.6
417.15408	38.8
417.22629	42.6
417.30969	2.4
418.10059	2.0
418.15466	5.3
418.23123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
53.25178	0.8
54.94614	0.8
55.01863	3.6
55.05509	13.2
57.03433	9.9
65.03941	2.2
67.05502	13.9
69.03431	1.9
69.07071	6.1
69.72715	4.9
71.04968	2.0
78.04707	3.0
79.05499	13.8
81.03415	5.2
81.07061	13.7
82.28415	0.7
83.04985	3.1
83.08618	5.1
84.27007	0.8
85.02908	2.9
85.06511	1.2
91.05485	11.8
93.07053	10.2
95.04968	6.1
95.08615	6.5
97.06538	1.6
97.10170	4.0
98.20741	1.7
99.64754	0.8
100.11259	3.5
103.05461	9.2
103.93905	1.0
105.03413	1.1
105.07028	7.1
106.04140	1.5
107.04953	8.9
107.08599	9.6
109.02860	0.9
109.06540	1.6
109.10172	2.8
111.04443	1.8
111.08068	1.8
115.05451	9.1
116.06168	0.9
117.07019	14.6
118.40859	0.9
119.04951	1.0
119.08596	4.1
121.06491	1.6
121.10161	3.2
123.04433	20.0
123.08083	1.1
123.11739	1.1
124.05229	2.8
125.06026	1.9
125.09623	2.1
127.05489	1.2
128.06230	3.9
129.06996	6.5
131.04924	9.2
131.08577	4.9
133.06491	2.6
133.10136	1.3
135.11696	2.9
137.05992	3.1
137.09605	1.2
141.06996	5.8
142.02634	1.2
142.07770	1.3
143.04922	4.6
143.08592	3.6
144.05652	2.2
145.06479	20.7
145.10136	2.7
147.04460	1.9
147.08083	1.4
147.11716	2.3
148.05252	1.5
149.05977	8.8
149.13225	1.2
151.03947	1.7
152.04697	1.4
152.06230	2.5
153.06969	5.6
154.07787	1.9
155.04962	1.2
155.06027	2.1
155.08571	10.0
157.06506	8.0
157.10147	3.8
159.08064	2.6
160.05232	3.7
161.05986	19.0
161.09595	0.9
163.07535	11.6
163.11165	1.3
165.07019	5.4
166.07773	1.4
167.07065	100.0
167.08562	16.0
168.07408	3.1
169.06537	4.1
169.10188	3.9
171.06523	2.9
171.08061	5.7
172.05196	4.1
173.05983	49.6
174.06694	3.7
175.07578	9.0
175.11140	1.1
177.05493	2.6
177.09073	1.5
179.08572	4.0
181.04967	39.0
181.06503	12.2
181.10136	3.4
182.05396	0.9
182.07266	2.9
182.15369	2.2
183.08022	9.1
185.05960	4.4
185.09639	4.1
186.06749	3.4
187.07553	14.2
189.05542	2.5
189.09097	3.3
190.06252	1.1
191.07018	6.3
191.08551	1.5
193.10153	1.7
194.07301	2.8
195.08057	50.0
196.08604	1.3
197.09604	14.0
198.06793	2.6
199.07535	14.9
200.08333	3.4
201.09106	11.7
203.07008	1.2
203.08688	1.1
205.08617	2.8
205.10301	1.3
207.08165	1.0
208.08916	1.1
209.09613	4.3
209.13255	1.7
210.14896	1.9
211.07626	2.5
213.09103	42.3
214.09682	1.2
215.10657	6.0
217.08611	2.1
219.11757	1.7
221.09683	4.6
223.07623	2.1
223.11171	3.8
225.09172	2.3
227.10652	3.3
233.07964	6.1
235.09700	3.6
237.09012	0.9
237.12895	1.6
239.10638	1.7
241.12257	1.3
247.11279	2.1
248.12079	1.3
251.10745	0.9
251.14207	1.1
253.12314	0.9
255.13916	1.7
256.14539	4.8
261.16415	1.9
279.17413	11.1
283.13306	1.4
284.14081	6.2
287.16409	1.4
289.15778	6.9
297.18567	4.2
299.16562	1.3
302.15320	1.3
307.16919	30.1
325.17987	32.8
326.18246	1.5
343.19125	10.4
381.20438	2.9
387.14423	14.3
399.14313	1.7
399.21646	4.6
417.15265	31.1
417.22702	28.8
417.31039	1.2
418.15552	3.9
418.22693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66087	0.6
53.03939	1.2
55.01871	2.6
55.05255	0.6
55.05504	6.6
57.03431	3.9
65.03948	2.5
67.05160	0.7
67.05501	8.0
69.03416	1.6
69.07066	3.0
70.94692	0.6
70.95036	1.2
71.04985	1.5
75.44336	0.5
78.04707	2.5
79.05058	0.7
79.05488	8.6
81.03416	2.7
81.07055	8.4
83.04979	1.3
83.08605	2.5
83.55857	0.4
85.02895	2.8
85.06556	1.2
86.09708	0.7
91.05469	6.0
93.03405	0.8
93.07037	4.7
95.04969	3.8
95.08595	4.9
97.02888	0.8
97.06519	1.8
97.10167	1.4
102.04714	0.8
103.05460	5.1
105.03372	0.8
105.04531	0.8
105.07021	5.3
106.04174	1.5
107.04958	6.8
107.08593	3.3
108.02093	0.7
109.02833	0.7
109.06521	1.2
109.10149	3.1
110.03673	1.6
111.04459	1.5
111.08092	0.6
112.62569	0.5
114.09184	0.6
115.05444	4.9
116.06207	0.6
117.07012	10.9
118.04149	0.6
119.04932	0.5
119.08577	2.9
121.02884	0.5
121.06493	1.1
121.10123	2.7
123.04422	12.7
123.08047	1.1
123.11731	1.3
124.05222	3.0
125.05982	1.5
125.09629	1.0
127.05386	1.1
127.07634	0.5
128.06212	1.6
129.07027	3.1
131.04918	5.1
131.08598	2.5
132.09003	0.5
133.06531	2.4
133.10098	3.0
135.04372	1.2
135.08081	0.8
135.11697	1.9
137.05989	2.4
138.03133	0.9
141.06985	2.9
142.02570	0.7
143.04924	2.0
143.08577	2.2
144.05678	1.1
145.06476	14.2
145.10165	2.3
147.04398	1.5
147.08034	1.5
147.11693	1.3
148.05202	0.9
149.05983	4.8
149.09595	0.9
151.03908	1.7
152.04697	2.0
152.06204	1.9
153.05655	0.6
153.07004	3.2
154.07703	0.8
155.04910	1.0
155.05974	2.4
155.08513	3.9
157.06502	3.5
157.10175	1.7
159.08069	1.7
159.11655	0.8
160.05173	1.4
161.05977	9.9
161.09593	0.6
163.03915	0.7
163.07535	6.2
163.11145	1.0
165.05750	0.7
165.06987	3.1
166.07803	1.0
167.07043	100.0
167.08516	7.1
168.07373	3.8
169.06483	1.8
169.10097	2.0
171.06538	2.2
171.08069	3.2
172.05170	2.3
173.05974	31.5
174.06648	2.7
175.07513	4.1
175.11148	0.9
176.04706	0.6
177.05476	1.7
177.09106	0.5
178.07782	0.9
179.07092	0.7
179.08549	2.1
181.04961	42.2
181.06453	5.4
181.10120	1.1
182.05363	1.1
182.07254	1.5
183.08017	5.4
185.05977	2.1
185.09578	1.6
186.06766	1.7
187.07535	6.7
187.11159	0.6
188.08073	0.5
189.05440	1.0
189.09109	2.1
191.07030	8.9
191.08572	0.4
192.07724	0.6
193.08603	0.9
193.10240	0.8
193.12140	0.5
194.07317	1.6
195.06566	1.0
195.08047	25.2
195.11714	1.1
196.08638	0.8
197.09616	6.8
198.06776	1.4
199.07550	6.2
200.08221	1.5
201.05515	1.0
201.09084	6.3
203.07074	0.8
205.08575	3.5
205.10159	0.8
207.08122	1.1
207.10033	0.6
209.09630	2.2
209.13034	0.5
211.07578	1.4
211.11148	0.8
212.08191	0.6
213.09085	23.0
215.10576	2.4
217.08609	1.3
219.17503	0.7
221.07805	0.7
221.09676	2.0
223.07567	1.1
223.11214	2.3
225.09138	1.0
227.10675	1.5
229.12172	0.8
233.07976	6.4
234.08621	0.7
235.09470	2.5
237.12759	1.0
239.10704	1.2
247.11223	1.3
248.92590	0.6
251.10764	0.8
251.17885	0.7
255.13737	0.7
256.14520	1.6
261.16565	0.6
263.09363	0.6
269.49948	0.5
279.17398	5.6
281.15088	0.6
283.13449	0.7
284.13928	2.5
287.16452	1.3
289.15829	2.0
297.18527	1.2
302.15143	0.7
307.16867	15.5
307.20230	0.9
313.17386	0.6
315.19638	0.8
325.17975	16.2
326.18451	0.6
343.18994	4.4
351.08359	0.5
355.11826	0.6
357.13327	0.7
363.19528	0.8
381.13345	1.2
381.20462	1.3
387.14377	11.7
388.14850	1.2
399.14355	1.3
399.21637	3.2
417.15421	32.6
417.22614	13.6
418.15952	2.6
418.22021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01858	1.5
55.05509	1.2
55.91115	0.7
57.03418	1.3
57.07071	1.6
59.05014	0.8
60.49097	0.7
67.05495	4.3
68.99811	0.8
69.03422	10.3
69.07048	2.5
69.29556	5.7
69.29982	2.0
71.04973	3.0
73.02892	0.9
73.35905	0.6
79.05486	2.6
79.15191	0.7
81.03413	5.2
81.07046	10.1
82.32148	0.7
83.04958	2.9
83.08639	1.0
84.08131	0.7
85.02898	12.3
85.06542	11.4
87.00839	3.4
91.05479	1.5
93.07027	3.4
95.04958	2.9
95.08580	2.6
97.02897	3.5
97.06507	1.6
99.04444	2.8
99.08092	0.9
105.01878	3.4
105.07005	2.6
107.04951	1.4
107.08547	3.5
109.02878	4.2
109.06503	5.7
109.10153	13.7
111.04444	1.1
111.08078	2.2
113.05980	3.4
114.13226	0.7
115.05444	0.8
117.06997	0.8
121.02804	0.9
121.06516	1.2
121.10144	3.7
123.08041	2.3
123.10907	1.2
123.11715	11.3
127.03881	7.3
129.72507	0.7
131.08553	1.0
133.10121	2.3
135.07990	1.0
135.11690	1.2
137.05960	2.8
139.11169	3.4
145.04913	1.9
145.06465	1.4
147.11691	1.0
151.11172	13.2
153.12724	3.2
155.06950	0.8
159.02895	1.1
163.11176	1.1
167.06993	9.4
167.10725	0.8
169.12230	100.0
170.12497	1.2
181.04924	2.4
182.15366	0.8
210.14853	1.5
217.08670	1.0
218.26569	0.8
233.07979	1.2
255.06522	1.2
255.19438	1.0
275.42313	0.7
321.07379	0.8
333.07425	0.8
381.09528	0.8
387.14291	1.2
399.24869	1.6
417.09735	2.5
417.17007	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1749
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.24045	0.5
53.03942	1.3
55.01852	1.9
55.05489	2.1
57.03430	1.7
57.07057	2.0
59.05008	0.7
61.02921	1.1
65.03925	0.7
67.05495	6.2
69.03423	10.9
69.07050	2.6
71.04981	3.7
71.58350	0.7
71.58739	0.7
73.02893	0.7
79.05489	1.7
81.03416	4.2
81.07043	8.0
83.01331	0.6
83.04963	2.6
83.08591	1.5
85.02412	1.0
85.02902	13.7
85.06536	10.6
87.00838	4.2
91.05466	2.3
93.07031	2.5
95.04962	4.4
95.08602	3.7
97.02877	3.1
97.06510	1.5
98.97605	0.7
99.04423	1.8
100.11232	2.0
105.01853	2.6
105.06999	2.4
107.04958	1.2
107.08565	4.7
109.02879	4.1
109.06503	9.7
109.10147	18.8
111.04435	1.4
111.08063	1.7
113.06009	3.1
117.07001	0.9
119.04906	0.6
119.08578	1.1
121.02840	1.3
121.06512	0.8
121.10133	4.7
123.04394	0.7
123.08057	2.3
123.11695	12.0
125.05969	0.8
125.09623	0.8
127.03908	7.2
128.07050	0.7
133.10107	2.4
135.11667	0.9
137.05934	2.4
139.11159	4.4
145.04965	1.6
145.06464	1.2
149.05902	0.8
149.09637	1.2
151.03891	1.6
151.11169	19.2
153.12660	2.7
155.07034	1.5
159.02869	1.8
159.11626	0.8
161.09557	0.6
167.07034	10.5
169.12225	100.0
170.12590	1.3
172.13559	0.8
173.05946	1.7
177.12665	0.6
181.04874	2.7
182.15393	2.3
194.87149	0.6
202.20667	0.6
210.14859	3.6
231.05037	1.3
233.08086	1.0
251.12740	0.7
255.06451	1.0
277.14322	0.6
299.05347	0.9
327.12320	0.8
337.21335	1.0
361.10779	0.7
381.23599	1.3
387.14117	1.0
399.24701	4.9
417.09702	5.2
417.16980	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05493	1.2
56.42850	0.4
56.96550	0.7
57.03428	1.1
57.41106	0.4
57.84155	0.4
59.06098	0.5
66.92268	0.4
67.05478	1.8
69.03418	1.8
69.07076	1.3
70.06571	1.4
71.04973	1.9
71.58276	1.0
72.08116	0.7
79.05488	1.4
81.03405	1.4
81.07048	2.7
83.04969	1.6
84.08144	0.8
85.02911	3.8
85.06541	0.8
86.09701	1.9
91.05466	1.7
93.07033	4.0
95.04967	1.2
95.08583	1.7
97.02873	1.1
97.06501	0.9
98.97562	3.6
105.07005	1.9
107.04931	0.7
107.08604	2.7
107.89973	0.6
109.02867	1.3
109.06502	1.4
109.10130	2.5
116.98618	2.6
117.07080	0.5
119.08571	2.0
121.02862	1.0
121.06493	0.6
121.10146	1.8
123.08072	1.2
125.09613	1.2
127.03915	1.2
127.07464	0.6
127.11181	1.1
131.08583	0.9
133.10149	1.5
134.99643	0.8
135.08061	0.5
135.11618	0.7
137.06041	0.6
137.09593	1.1
143.10670	2.2
145.10086	1.1
147.11670	0.8
149.05991	0.7
149.09607	1.3
149.13289	0.9
151.03889	0.6
151.07541	1.4
151.11189	1.4
153.09149	0.6
155.10629	0.8
158.99608	1.1
165.46576	0.5
167.07080	0.7
169.08624	1.0
169.12254	0.6
173.13254	0.7
177.00687	2.6
181.12782	0.5
192.07132	0.6
201.16475	0.6
207.13914	1.0
209.15356	0.9
215.09512	0.5
219.01701	0.7
219.17514	0.8
222.08348	1.6
222.58435	1.8
231.08868	0.7
231.58896	1.0
237.18483	1.0
255.06465	0.9
269.10559	1.2
285.13107	1.3
304.62070	0.6
321.07758	1.0
323.11591	1.4
324.12006	0.8
333.07513	0.8
341.12796	0.8
389.10355	0.7
416.69104	0.9
417.09290	4.0
417.17252	100.0
418.17459	1.5
443.15939	0.9
444.16098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60169	0.2
53.03932	0.3
55.01856	0.3
55.05509	0.9
55.83111	0.2
57.03424	0.2
62.70675	0.2
65.03938	0.3
69.03413	0.8
69.07061	0.5
70.86949	0.7
71.04984	0.3
73.02927	0.5
74.06062	0.3
77.95094	0.2
78.04712	0.5
79.05479	0.6
81.03401	1.0
81.07051	0.5
83.04966	1.0
83.08588	0.4
85.02901	1.2
86.09707	1.6
91.05482	0.5
93.07017	0.4
95.04977	0.6
95.08641	0.3
97.02880	0.5
97.06479	0.3
97.32504	0.2
100.36043	0.2
103.05479	0.4
105.07025	0.6
107.04957	0.5
107.08574	0.6
109.02885	0.5
115.05434	0.5
117.06992	1.3
119.04968	0.3
119.08588	0.4
121.02867	0.6
123.04423	1.4
123.11664	0.3
124.05251	0.4
125.09639	0.2
127.03919	0.9
131.01816	0.3
133.10219	0.3
137.05997	0.3
143.10666	0.8
145.04889	0.3
145.05453	0.3
145.06471	1.8
145.10094	0.4
150.07690	0.2
151.03941	0.2
151.11198	0.9
152.04700	0.4
155.06038	0.4
167.07033	19.6
168.07352	0.4
169.12257	0.5
173.05971	3.0
177.05441	0.3
181.04932	3.6
191.03448	0.6
205.08600	0.8
219.02934	0.7
221.05092	0.7
231.02859	0.3
233.08034	1.3
235.09724	0.6
255.06497	2.2
255.08499	0.2
261.03918	0.3
284.06439	0.2
285.07318	0.4
285.13287	1.3
297.07364	0.4
333.07538	0.3
339.08582	0.6
387.14307	2.5
399.25760	0.2
417.17291	100.0
418.17639	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	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03925	0.4
55.01862	0.7
55.05516	0.5
55.63582	0.3
56.76227	0.3
59.10196	0.3
65.03942	1.8
67.05492	0.9
69.03410	0.9
69.07053	0.3
70.83318	0.6
70.83711	0.6
78.04707	2.6
79.05498	2.9
81.03400	0.5
81.07056	1.6
82.04166	0.8
85.02881	1.2
91.05455	1.7
93.03379	0.3
93.07032	0.7
94.04175	0.3
95.04974	1.7
95.08574	0.7
96.05726	0.4
97.02912	0.4
97.06516	0.9
98.20883	0.3
99.18784	0.3
103.05460	3.3
105.03345	0.6
105.07021	1.0
106.04160	1.4
107.04939	4.4
107.08572	0.4
108.02065	0.5
109.02885	0.5
109.06548	0.4
109.10149	0.5
110.03644	1.1
111.04429	0.8
115.05434	3.4
117.06995	4.1
118.04134	0.9
119.04962	0.5
121.06470	0.4
121.10126	0.6
123.04431	6.1
123.11751	0.4
124.05206	3.1
125.05956	1.4
127.05433	0.6
131.04919	2.1
133.02827	0.4
133.06473	0.6
133.10126	0.6
134.03619	0.6
135.04407	0.4
137.05963	1.1
138.03078	1.1
142.02588	0.6
143.04877	0.5
145.06470	9.7
147.07993	0.7
147.11713	0.5
148.05209	1.7
149.05980	0.3
149.74002	0.3
151.03879	1.1
152.04680	1.9
153.05397	0.3
155.06024	2.4
159.11726	0.3
161.05980	0.9
161.18213	0.3
163.07529	2.1
165.12747	0.5
167.07028	100.0
168.07367	1.4
171.06496	1.9
173.05978	16.1
175.07555	0.6
181.04945	36.2
182.05307	0.6
187.07419	0.3
191.07027	7.8
192.33417	0.3
193.04982	0.3
193.08586	0.4
195.06544	1.0
201.05486	0.9
205.08566	3.3
207.06407	0.4
207.10036	0.4
217.08556	1.0
219.10210	0.9
221.07974	0.3
224.36874	0.4
231.06236	0.3
233.08054	7.6
235.09685	3.1
237.09036	0.3
255.06532	0.5
263.09271	0.7
271.06039	1.8
287.05444	0.5
293.08160	0.4
329.10086	0.4
344.12631	0.4
357.13617	0.4
367.11493	0.4
381.13434	0.8
385.12891	0.6
387.14362	13.6
388.14667	0.4
399.14194	1.0
417.15427	37.3
418.15683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.08315	0.5
51.02361	0.5
53.03935	0.6
55.01851	0.7
55.05491	0.8
57.03409	0.5
57.14175	0.5
65.03932	2.0
67.05474	1.7
69.03402	0.9
69.07030	1.0
70.50211	1.1
71.04964	1.2
71.12976	0.4
77.03901	0.4
78.04689	1.9
79.05483	3.2
81.03387	0.8
81.07052	2.4
82.04174	0.9
83.04976	0.6
84.08150	2.5
85.02881	2.3
85.47137	0.4
91.05449	1.8
93.03365	0.7
93.07026	1.3
95.04935	1.7
95.08584	1.3
96.05696	0.5
97.02889	1.0
97.06511	1.4
103.05456	4.4
105.03365	0.5
105.07042	2.2
106.04181	1.0
107.04948	3.2
107.08579	0.8
109.06493	0.8
109.10136	0.7
110.03660	0.9
115.05431	3.6
117.07010	5.6
118.04144	1.1
119.08580	1.5
121.06520	0.5
121.10115	0.5
123.04408	6.4
124.05219	2.7
125.05934	0.9
125.09612	0.5
127.05449	0.7
131.04918	3.7
131.08514	0.7
133.02780	0.6
133.06494	0.7
133.10092	2.5
134.03569	0.6
137.05986	1.3
138.03122	0.6
139.07550	0.4
142.02583	0.6
143.10658	1.3
145.06477	9.6
145.10101	0.7
145.95526	0.4
147.04367	0.4
147.08015	0.5
147.11650	0.9
148.05203	2.5
149.05959	0.7
149.13269	0.7
151.03877	1.3
151.11119	0.5
152.04651	2.2
153.05417	1.0
155.06055	1.9
159.11703	0.7
161.05992	0.8
163.07552	3.5
167.07031	100.0
167.14259	1.0
168.07397	1.4
171.06522	3.0
173.05980	16.5
174.06352	0.6
175.07516	0.7
181.04950	40.4
182.05293	0.8
187.07440	0.6
191.07014	12.8
193.08607	0.5
195.06586	1.2
201.05380	0.6
203.07024	0.7
205.08557	3.0
217.08629	0.5
219.10207	0.7
219.17549	1.3
221.08095	0.6
233.08044	6.8
235.09618	3.7
237.18483	0.7
255.06467	2.1
263.09155	1.0
277.23029	0.4
297.07703	1.0
297.10950	0.4
313.16125	0.8
323.09244	0.5
325.10849	0.6
327.08682	0.8
339.12231	0.6
367.11758	0.7
381.13654	0.6
385.12476	0.8
387.09363	1.0
387.14346	15.0
388.14853	1.0
399.14352	1.3
399.32242	0.8
417.15509	41.7
417.20917	3.7
418.15817	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.98552	0.2
69.03417	0.4
69.82309	1.5
79.05477	0.3
81.03384	0.3
81.81763	0.2
85.02897	0.3
91.05459	1.0
93.07004	0.2
95.08575	0.3
100.83434	0.2
107.08550	0.3
119.04906	0.5
119.08501	0.2
121.10114	0.4
129.06987	0.4
131.08504	0.2
133.02840	0.4
133.10164	0.3
137.02315	4.2
143.08530	0.3
145.02827	0.7
152.06161	0.3
153.06992	0.7
157.06458	0.8
165.07042	0.3
171.08003	0.6
177.75957	0.2
181.04919	0.3
181.06436	2.1
199.07516	7.9
219.27748	0.2
227.07008	3.3
237.05519	1.3
237.14833	0.3
255.06494	100.0
256.06894	2.2
315.37433	0.3
417.09787	0.4
417.17081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02889	0.2
68.99777	0.8
70.06559	0.2
72.08170	0.2
81.03426	0.2
85.02879	0.5
91.05457	0.3
93.07059	0.3
98.21449	0.3
107.08591	0.2
109.02863	0.2
111.04436	0.3
116.71877	0.2
119.04935	1.7
119.08549	0.2
121.02895	0.4
121.10154	0.2
137.02324	3.1
143.08560	0.2
145.02823	2.2
155.03352	1.1
169.06487	0.3
171.08139	0.2
187.07422	0.2
192.38062	0.2
202.10727	0.3
208.05165	0.2
227.06998	0.5
255.06500	100.0
256.06882	2.0
409.64758	0.2
417.11487	0.7
417.16708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96330	0.9
56.96563	10.8
60.04520	0.9
61.02938	0.9
67.62531	0.8
69.03422	2.0
70.30228	2.7
71.04981	0.9
81.03397	2.6
83.04946	1.4
84.96038	4.2
85.02888	3.4
86.10415	0.8
88.57963	0.8
93.65881	0.7
97.02886	3.1
98.97585	8.5
109.02859	2.9
110.97575	1.3
113.02349	1.0
114.62265	0.8
116.98607	11.0
119.01913	2.9
120.95383	1.3
128.98569	2.3
131.01862	0.7
134.99643	8.7
137.02965	1.6
145.03415	1.8
146.99602	2.4
153.00670	2.3
156.97456	18.0
157.03461	1.8
157.11526	0.8
161.01176	1.5
174.98523	34.2
177.00920	2.5
180.97473	2.4
182.99036	11.5
186.98962	1.1
194.99034	9.1
198.50743	0.8
198.98515	26.8
201.00070	14.6
202.00284	1.1
206.00647	1.2
209.00798	0.8
210.98529	1.3
213.00075	40.4
214.00253	1.5
216.99594	9.2
217.04042	2.1
218.98677	0.9
219.02011	2.2
221.04903	1.0
222.98502	4.8
225.00050	1.6
231.01141	10.4
237.00046	1.0
238.98833	1.1
239.06053	1.2
240.99631	4.8
245.03537	2.5
256.96808	0.9
257.94604	1.0
259.00369	1.8
264.99524	2.2
271.01462	1.3
283.00604	2.6
289.02435	2.0
290.95209	0.9
301.01660	100.0
302.01804	4.1
315.00607	2.2
319.02731	13.6
328.95361	1.1
333.01422	5.1
342.04343	2.6
342.96002	0.8
346.91116	1.2
355.93616	1.0
357.04285	98.8
358.04504	4.7
367.92795	1.1
375.05463	9.3
384.44815	0.9
387.60739	1.1
393.06210	3.0
398.06793	3.1
412.45047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.05503	5.4
56.05018	2.3
57.03420	1.4
57.07069	2.1
57.14741	0.9
58.06584	2.9
61.02913	1.8
65.36050	0.8
67.05499	4.9
69.03421	6.2
69.07069	5.7
70.06591	4.7
70.53889	2.5
71.04980	1.6
72.08211	1.0
73.02892	0.9
74.22443	0.9
79.05478	3.9
81.03391	2.6
81.07053	11.2
82.06568	1.2
83.04970	1.7
83.08589	2.5
84.08134	2.5
85.02421	1.1
85.02895	12.6
91.05454	3.9
93.07035	13.2
94.06514	0.8
95.04969	1.0
95.08607	18.2
96.08122	3.6
96.77235	0.9
97.02875	4.9
97.06524	2.4
97.10155	2.0
98.09671	3.7
99.04431	1.0
101.54693	0.9
105.07023	10.1
106.07255	0.8
106.51627	0.8
107.04918	1.5
107.08596	18.5
108.08085	3.4
108.08881	1.0
109.02868	2.1
109.06512	2.5
109.10155	9.0
110.09669	6.8
111.08076	1.6
113.09618	0.9
119.08578	17.8
121.10132	17.4
122.09650	1.3
123.08047	1.0
123.11703	4.1
124.11219	1.0
125.09637	1.1
127.03902	5.4
131.04866	0.8
131.08574	2.2
133.10127	10.5
135.08089	1.1
135.11674	9.2
136.11215	1.5
137.05959	2.0
137.09627	9.2
137.13254	4.3
139.11147	3.2
145.04950	2.0
145.06453	0.9
145.10081	1.2
147.11670	3.3
148.11163	1.5
149.13277	2.8
150.12779	1.4
151.11208	1.3
151.14775	1.1
161.13234	8.2
163.14761	0.9
167.07065	2.8
173.13237	1.1
175.14847	7.1
176.14272	1.3
177.16365	8.7
181.04869	1.5
191.10616	1.5
192.17422	1.5
193.15840	5.4
195.17464	1.2
204.08656	2.7
210.18544	3.2
218.19022	8.4
219.10236	2.3
222.09785	1.6
236.20073	100.0
237.20518	1.9
254.21103	5.2
256.51013	0.8
372.23895	1.2
397.67590	1.0
398.16650	1.5
398.25192	1.3
416.14178	2.0
416.26419	43.9
417.14645	0.9
417.26892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03924	2.1
55.01852	1.9
55.05507	5.9
56.05030	3.8
57.03411	2.2
57.07053	1.4
58.06579	2.3
61.02908	2.3
65.03894	0.8
66.55663	0.7
67.05504	6.7
68.99773	0.8
69.03426	8.5
69.06767	0.8
69.07060	7.3
69.34641	4.6
69.35067	3.7
70.06585	5.7
71.04974	1.4
72.08144	1.0
73.02903	1.8
79.05496	4.6
81.03420	5.0
81.06637	1.1
81.07055	13.3
82.06586	0.9
83.04966	2.5
83.08603	3.2
84.08104	2.1
85.02418	1.4
85.02899	18.0
85.06519	1.8
86.06039	0.9
86.09693	2.3
87.00823	1.7
87.04459	1.2
91.03931	0.9
91.05457	6.7
93.07027	12.0
94.06563	0.8
94.37393	0.7
95.04943	2.3
95.08598	20.5
96.08101	3.2
97.02888	6.2
97.06499	2.9
97.10126	1.7
98.09666	2.7
98.21467	1.1
99.04417	2.1
103.05460	0.9
105.01853	1.5
105.07026	13.1
106.50890	0.8
107.04952	5.9
107.08584	16.9
108.08121	3.8
108.08762	0.7
109.02863	3.2
109.06476	2.1
109.10148	10.2
110.09692	5.7
110.10336	1.2
111.04409	1.1
111.08052	1.5
112.07627	1.0
116.19701	0.6
117.07044	1.6
119.08579	17.7
121.06477	1.1
121.09322	1.5
121.10144	20.6
121.42722	0.7
122.09629	2.1
123.04323	1.1
123.08048	2.5
123.11705	5.3
124.07552	0.8
125.09634	1.3
127.03905	6.9
128.04143	0.7
131.08546	2.2
133.10130	13.6
134.10466	0.9
135.11690	7.8
136.11211	1.4
137.05939	2.6
137.09587	10.3
137.13225	4.4
138.06310	1.4
139.11067	1.1
145.04933	3.3
145.06395	1.2
145.10112	2.9
147.04518	0.7
147.11665	2.6
148.11110	1.2
149.09584	0.8
149.13220	3.0
151.11183	5.1
153.05511	0.9
157.10210	0.9
158.10538	0.9
159.02991	1.1
159.11694	1.5
161.05878	1.4
161.09671	0.9
161.13229	8.1
162.12657	1.9
163.03995	1.0
167.07043	6.7
169.12218	1.9
173.13255	1.6
175.14793	7.1
177.12793	1.0
177.16377	9.2
180.13747	1.2
181.04948	2.5
191.10699	1.8
192.17482	1.7
193.15897	5.0
195.17407	1.5
201.09172	0.8
204.08682	2.3
210.18526	2.9
218.19040	8.9
219.10147	2.3
222.09708	1.3
235.13278	1.4
236.20073	100.0
237.14760	1.3
237.18381	1.3
237.20500	3.8
254.14133	1.7
254.21184	3.6
274.11484	1.2
283.05905	1.8
284.06396	5.1
285.06613	0.9
296.06400	1.0
310.07968	1.6
338.07440	3.0
368.08536	1.1
372.23795	1.8
380.08331	1.4
398.09506	1.2
398.16968	2.5
398.24951	1.4
416.14423	2.3
416.20471	2.2
416.26407	48.3
417.15335	3.3
417.21362	1.2
417.26755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01870	0.7
55.05261	0.5
55.05506	6.3
57.03426	1.9
57.07069	3.1
65.03931	0.4
67.05497	5.1
69.03445	0.6
69.07062	8.3
71.04981	0.9
71.08623	1.7
71.60868	0.7
75.04472	0.4
79.01244	0.3
79.05494	3.7
81.07051	7.8
83.04976	0.8
83.08615	7.5
85.06544	0.6
85.10179	0.8
87.00832	3.0
89.75587	0.3
91.05463	7.2
93.07035	5.0
95.04966	0.4
95.08601	6.4
97.06514	1.4
97.10165	4.0
103.05460	1.1
104.06225	1.0
105.01842	2.0
105.07021	1.0
107.08582	4.7
109.10155	3.5
111.08077	1.3
111.11733	1.3
117.06989	1.9
119.08572	100.0
120.08904	1.9
121.06542	0.4
121.10130	4.9
123.11685	2.6
125.06013	0.4
125.09619	0.7
127.07494	0.4
133.06494	1.5
133.10114	1.6
135.08083	1.2
135.11673	4.0
137.13222	1.3
139.07475	0.5
139.11194	0.8
143.03433	0.7
143.08525	0.4
145.10075	0.8
147.11720	0.6
149.13245	3.0
153.12691	0.5
157.10045	0.4
159.11736	0.5
161.13287	0.5
163.14781	0.8
171.11690	0.6
173.13239	0.9
175.11336	0.5
177.12794	0.6
219.21072	4.1
237.22131	11.3
238.22484	0.5
255.23187	7.5
261.22226	0.8
266.57462	0.3
271.34091	0.5
277.21634	0.4
311.26041	0.4
323.22256	1.2
328.24164	0.7
329.26825	1.7
330.65045	0.3
341.23071	3.1
359.24292	0.7
369.27805	2.6
377.12811	0.4
397.26208	2.1
397.31110	0.8
415.27026	10.6
415.32306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59254	1.2
53.03940	10.3
55.01865	3.0
55.05513	6.6
57.03425	4.1
59.04994	1.5
67.05495	11.1
69.03072	1.9
69.03427	25.5
69.07050	9.2
70.18195	2.9
70.18587	4.0
71.04993	11.9
79.05486	9.1
81.03416	50.6
81.07056	20.1
81.44970	1.1
81.56488	1.1
83.04970	14.2
83.08602	6.1
85.02899	17.8
85.06542	2.9
87.51437	1.2
91.05459	10.2
93.07043	28.5
95.04958	9.4
95.08606	11.2
97.02892	6.6
97.06529	10.5
99.04459	15.8
100.11251	1.3
103.05434	1.6
105.07027	21.9
107.04940	4.9
107.08583	17.6
109.02118	2.0
109.02873	38.6
109.06502	7.9
109.10152	4.8
111.04446	2.1
111.08075	10.6
112.55441	1.2
117.06995	2.4
119.04887	2.3
119.08581	15.0
121.06510	13.6
121.10160	6.3
123.04393	1.9
123.08054	5.7
123.11711	6.0
125.05998	7.8
127.03912	100.0
127.07574	2.9
129.06964	2.0
131.08559	4.7
133.10129	13.7
135.04359	1.6
135.08040	9.6
135.11674	2.1
137.05968	5.5
139.07538	5.0
143.07060	8.5
143.08554	2.5
145.10107	5.7
147.08043	2.6
147.11671	23.6
149.09563	1.7
149.13242	4.1
151.07526	2.0
151.09973	1.4
151.11166	3.2
156.09325	2.4
157.10126	7.2
159.11713	2.7
163.11224	1.5
165.12737	8.5
167.07060	5.5
169.12210	6.9
171.11694	4.1
173.09697	1.7
173.13280	1.7
175.11150	12.5
177.50781	1.2
181.04930	4.1
185.13229	1.2
187.06010	45.2
187.07689	2.3
189.12762	5.3
193.12231	11.9
195.06502	3.9
195.80830	1.4
199.11191	5.8
207.13737	3.5
208.58366	1.5
211.13286	11.2
217.12256	16.6
235.13266	19.6
253.14297	11.6
283.06030	7.8
284.06888	2.2
297.07693	1.9
313.07187	2.7
323.08981	1.8
367.08231	1.8
397.09143	2.9
397.16327	3.7
415.09937	9.4
415.19269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.03950	0.4
55.05502	0.7
56.05031	1.8
58.06595	100.0
59.06923	0.6
67.05495	0.9
69.03436	0.7
69.07050	1.8
70.08453	1.8
75.59869	0.3
76.91191	0.4
79.05483	0.6
81.07045	2.1
85.02877	0.4
86.06094	0.3
86.09697	7.9
91.05469	9.3
93.07059	0.7
95.08601	1.2
97.06537	0.6
98.09698	1.1
105.07032	1.3
107.04986	0.5
107.08594	0.9
109.06547	0.4
109.10139	0.6
113.07125	1.1
114.09183	1.1
115.05463	0.8
115.08678	3.3
117.05756	1.0
117.07024	0.4
118.06515	0.3
119.08588	0.8
121.10178	0.7
122.09663	0.4
123.11703	0.5
125.07127	0.7
126.05537	0.6
129.07069	0.9
130.06534	1.4
131.07314	0.5
132.08081	25.4
133.08412	0.5
133.10133	0.8
134.09639	0.4
137.09590	0.4
143.08191	1.3
144.08086	1.3
145.10141	0.6
146.09628	3.9
149.13356	0.4
155.08554	0.4
159.09229	0.6
160.07567	1.7
160.16905	0.4
171.09189	2.4
171.13429	0.7
171.14908	14.6
173.10783	0.8
181.07736	0.4
181.13344	0.6
188.07050	3.2
188.11913	1.8
189.10207	11.7
190.10583	0.5
199.10832	0.6
199.14397	13.9
200.11816	1.6
210.16037	2.4
214.13371	0.5
217.09692	8.7
227.15553	0.5
232.53510	0.4
238.15474	6.8
239.15501	1.0
256.18079	17.9
257.18488	0.7
273.16058	0.4
284.17517	2.0
301.15509	1.4
302.14981	12.5
302.18317	0.5
303.47891	0.4
312.17044	31.2
313.17438	1.6
327.17014	1.1
330.14536	0.3
330.18057	8.6
358.17352	0.4
358.21210	9.6
397.22470	1.0
415.23425	21.4
416.23669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16396	3.3
53.03931	11.9
54.14971	3.2
55.01859	12.0
55.05504	21.6
56.96567	3.7
57.03431	10.0
67.05500	25.7
69.03430	35.2
69.07067	19.8
69.86181	12.1
69.86612	11.5
71.04993	21.3
73.02872	4.7
76.67848	3.6
78.20495	3.3
79.05480	37.7
81.02966	5.9
81.03411	59.9
81.07049	65.5
83.04978	44.6
83.08608	12.8
85.02898	33.6
85.06525	17.0
86.09672	4.6
91.05458	24.4
93.07033	74.7
95.04972	27.4
95.08615	45.2
97.02881	13.4
97.06527	41.0
98.20858	4.4
99.04447	29.2
100.11266	8.5
105.07021	60.4
107.04935	10.9
107.07956	4.1
107.08598	40.2
109.02866	50.5
109.06516	40.2
109.10152	15.3
111.04446	8.0
111.08073	43.1
113.06029	4.8
116.98619	7.2
117.07006	8.2
119.04920	6.1
119.08582	33.4
121.02874	4.1
121.06495	56.9
121.10136	13.1
123.04438	4.9
123.08064	10.7
123.11720	18.5
125.05984	42.9
125.09608	3.8
127.03905	100.0
127.07547	13.6
129.06992	7.4
130.72878	3.6
131.08566	9.5
133.06491	6.6
133.10150	28.4
135.04443	7.8
135.08063	24.1
135.11658	7.7
137.05983	35.3
137.09637	4.6
139.07520	20.7
141.05495	4.8
142.07767	4.9
143.07025	33.0
143.08557	9.4
145.04955	7.1
145.06459	4.1
145.10146	14.5
147.08052	8.0
147.11678	55.1
149.09566	7.2
149.13286	11.9
151.07538	10.5
151.11163	14.8
153.09082	4.3
153.12750	4.4
157.08714	6.5
157.10114	19.8
159.06505	6.1
159.11688	6.8
161.06003	6.5
161.13269	10.5
163.07582	4.5
165.12711	20.7
167.07047	10.7
169.12210	36.3
171.11690	13.2
171.75618	3.8
172.57549	3.2
173.09618	8.7
175.07556	5.2
175.11162	46.5
177.09106	4.5
179.07053	4.8
181.04915	4.7
181.10130	6.0
182.15421	4.1
187.06021	19.2
189.09265	4.3
189.12743	27.4
191.14253	4.3
193.12273	42.1
199.11159	22.0
207.13815	17.7
210.14841	4.2
211.13297	56.4
211.15205	5.5
213.09142	9.5
215.10591	4.2
217.12236	76.4
219.10126	4.5
229.14317	15.7
235.13269	79.2
235.16838	8.2
237.11105	5.8
243.10022	4.0
253.14375	55.0
253.17010	4.3
253.18159	5.8
271.15158	4.8
273.11243	10.4
283.06015	23.5
309.07709	7.0
323.09045	4.1
337.07050	6.4
355.11139	8.0
361.16235	6.1
379.08179	5.1
379.17654	9.0
397.09106	7.5
397.16422	22.1
415.10010	18.6
415.23312	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	415.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.6
55.01873	2.5
55.05508	7.1
56.96574	1.1
57.03439	5.3
57.07064	1.4
65.03943	2.2
67.05505	8.6
67.87133	1.0
69.03426	23.6
69.07069	7.6
69.60661	8.6
71.04988	11.1
73.02876	1.4
79.05493	9.4
80.14818	1.2
81.03418	50.5
81.07057	21.9
83.01307	1.2
83.04980	12.5
83.08617	2.8
85.02905	18.8
85.06544	3.0
91.05442	8.7
93.07043	23.4
95.04978	8.8
95.08604	12.2
97.02875	6.5
97.06536	10.9
98.10075	1.1
98.20745	2.3
99.04453	18.8
103.05404	1.2
105.07028	19.6
107.04972	3.3
107.08598	16.8
109.02131	1.9
109.02877	38.7
109.06517	7.5
109.10174	4.3
109.35812	1.0
111.04484	1.7
111.08067	11.1
117.07014	2.7
119.08598	13.5
121.06509	11.7
121.10094	5.6
123.04448	1.4
123.08085	3.2
123.11709	4.6
125.05988	8.9
127.03914	100.0
127.07555	2.5
129.06964	1.6
131.08559	3.5
133.06493	3.4
133.10132	9.6
135.08040	8.2
135.11725	1.7
137.05980	4.3
137.09654	1.5
137.13319	1.1
139.07541	4.3
142.07768	1.7
143.07060	7.9
143.08600	2.9
145.04959	1.5
145.06499	1.1
145.10066	5.8
147.08078	2.7
147.11693	19.8
147.12784	1.9
149.09686	2.0
149.13300	2.5
151.07535	1.2
151.11203	3.1
153.33864	1.4
157.08696	1.4
157.10156	4.9
159.08046	1.3
161.06033	1.7
161.09645	2.1
161.13318	2.8
163.11177	2.3
165.12744	6.0
167.07054	9.1
169.10109	2.0
169.12245	5.8
171.11681	2.6
173.13217	1.1
175.11188	9.8
177.09056	1.4
179.06982	2.0
181.04980	4.3
187.06020	47.4
187.07430	1.8
189.12730	5.8
193.12247	11.1
195.06519	4.2
199.11192	4.8
205.08688	1.6
207.13783	3.7
211.13293	11.9
217.12227	14.5
229.14389	3.9
233.07988	1.5
235.13297	15.8
235.16978	1.1
237.11343	1.3
252.08395	1.4
253.14355	9.3
292.04312	1.1
311.09058	1.7
334.10684	1.9
379.17929	1.5
397.17450	1.9
406.69922	1.1
415.13867	3.0
415.19141	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11754	2.0
53.03927	6.0
55.01852	3.8
55.05500	6.4
57.03421	5.0
65.03921	2.3
67.05495	7.8
69.03430	21.2
69.07050	5.1
69.78356	8.8
69.78783	5.1
71.04982	9.8
72.08144	3.4
73.02913	2.6
79.05489	12.8
81.03409	40.8
81.07059	18.1
83.04964	10.8
85.02899	21.3
85.06521	5.2
86.09694	4.9
91.05473	13.7
93.07043	28.0
95.04946	8.7
95.08593	11.4
97.02866	8.2
97.06525	9.6
99.04472	13.5
99.08124	2.9
100.28905	2.0
105.07032	18.5
107.04924	8.2
107.08607	16.7
108.53483	2.5
109.02867	26.7
109.06509	8.2
109.10108	4.9
111.08074	8.3
113.05968	2.8
114.55518	1.9
117.07005	4.5
119.04927	5.1
119.08549	8.9
121.06503	14.0
121.10122	7.6
122.03629	3.1
123.08018	6.0
123.11681	7.0
125.05979	7.1
127.03905	75.8
129.06935	3.4
131.04916	2.8
131.08566	8.3
133.06429	3.5
133.10092	10.5
135.08023	8.2
137.05965	66.7
137.09599	3.0
139.07549	3.2
141.06979	3.5
143.07047	3.2
143.08627	3.0
145.04953	3.5
147.04372	2.8
147.08009	3.3
147.10820	2.0
147.11699	20.2
149.06056	2.3
149.09651	3.8
151.07520	9.0
151.11192	4.1
155.08548	3.8
157.06480	3.6
157.08522	2.0
157.10109	5.0
158.07254	3.8
159.08011	6.1
161.05954	10.1
163.07584	2.5
165.06940	5.0
165.12727	7.4
167.07057	4.0
167.10605	4.3
169.12267	4.2
171.08025	3.4
171.11693	3.1
173.09654	4.2
175.07596	3.6
175.11229	10.7
179.07080	3.0
181.04918	2.9
181.06424	3.9
182.07295	7.0
183.08046	3.9
184.08867	2.9
185.09566	9.7
185.12865	4.0
187.06012	35.6
187.07558	6.1
189.09087	4.1
189.12733	7.8
191.07031	5.9
191.10556	2.5
193.12274	10.7
194.07188	3.1
197.09639	13.6
198.06750	10.6
199.07487	6.2
199.11177	7.1
201.09189	3.1
210.06650	3.4
211.07532	2.5
211.13300	8.7
212.08237	3.2
213.09090	23.0
215.10571	6.0
217.12222	13.3
217.15715	3.7
219.10124	2.2
225.09134	13.0
231.10179	5.0
235.13277	22.4
235.16866	11.8
238.12563	2.4
243.10109	21.9
248.08177	2.3
253.14285	13.3
253.17989	5.2
255.10112	6.1
261.11218	4.6
271.06091	2.9
273.11218	73.1
274.11554	2.9
275.10526	2.6
283.06052	6.0
289.08490	2.8
296.06445	2.8
303.37976	2.3
307.09622	5.0
308.10388	3.7
309.07355	2.5
321.11105	6.0
333.11288	3.2
337.07043	3.6
349.14227	6.4
351.12155	3.2
353.26736	5.0
354.14481	6.9
367.15222	4.6
379.07803	3.4
379.15555	7.5
397.16400	100.0
398.16702	7.9
415.13699	40.4
415.18954	4.7
415.27127	14.7
416.13998	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	415.1019
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
53.37831	0.2
55.01836	0.8
57.03425	0.9
61.02900	0.3
63.32278	0.1
65.03911	0.3
67.01830	0.2
67.05466	0.6
68.99767	0.7
69.03387	0.6
71.59638	0.2
72.08106	0.2
73.02866	0.4
79.01812	0.7
79.05451	0.5
80.41682	0.1
81.03407	1.0
81.07026	0.3
83.04964	0.3
85.02892	1.8
86.09660	0.4
90.43454	0.2
91.05441	1.0
92.99735	0.2
93.06989	0.4
95.04919	0.8
97.02833	0.7
97.06518	0.2
99.04404	0.2
105.06985	0.4
107.04943	0.3
107.08561	0.2
109.02871	1.0
109.06467	0.3
109.10135	0.3
119.04118	0.2
119.04929	3.5
121.02847	9.2
121.06468	0.2
122.03220	0.2
123.04412	0.2
127.03884	0.4
131.04872	0.7
135.04372	0.5
135.08022	0.2
137.02275	0.4
137.05910	0.6
141.01802	1.2
145.01717	0.3
145.02809	2.8
145.04915	0.2
147.04333	0.5
149.02293	0.4
153.01747	0.4
155.03291	0.2
159.04358	0.8
163.03879	4.1
164.04250	0.3
165.01811	10.5
166.02141	0.2
167.03409	0.8
167.06978	0.2
169.02792	0.2
171.04369	0.3
175.03804	0.5
177.01930	0.4
177.05380	0.5
179.03285	0.5
179.07025	0.2
181.04942	1.4
183.02861	8.3
183.04492	0.4
187.03873	1.6
189.01772	0.6
190.02559	0.2
191.03366	2.5
195.02872	0.5
199.03859	0.2
203.03313	0.5
205.01193	0.3
205.04977	1.3
207.02811	0.7
209.00783	0.2
209.04358	0.6
213.05428	0.9
215.03383	0.7
217.01526	0.2
217.04994	1.0
217.16008	0.2
219.02827	0.3
220.03320	0.2
221.04391	0.4
229.04910	0.5
231.02885	0.6
233.04382	1.2
235.16852	0.2
239.06938	0.6
241.04871	0.4
242.05736	0.4
243.02846	0.9
249.03911	0.5
253.04984	0.2
253.08516	0.4
253.14267	0.3
255.06416	1.1
256.07245	0.7
259.06015	0.6
261.03934	2.0
263.06863	0.6
266.05402	0.2
267.06442	2.7
268.07104	0.2
269.04123	0.3
270.05197	1.3
271.03015	0.3
271.05960	6.2
272.06168	0.4
273.03891	0.2
277.08469	0.5
279.06580	2.2
280.07047	0.6
281.04849	0.6
281.08035	9.8
282.08466	0.5
283.05957	100.0
284.06467	6.7
287.07083	0.2
291.06467	0.6
293.08096	0.9
294.05182	1.0
295.05969	10.9
295.09573	2.6
296.06375	0.6
297.03949	0.7
297.07529	3.5
305.08060	3.1
307.05963	3.2
308.06744	3.3
309.04034	1.7
309.07489	29.6
310.07803	1.3
311.05450	1.2
311.08871	0.4
312.06088	0.2
313.06995	5.5
314.07123	0.3
319.06131	0.2
320.06528	0.3
321.07532	3.6
323.05573	1.3
323.09048	17.1
324.09488	0.7
325.07040	1.1
333.07520	3.8
335.05502	0.8
335.09113	0.2
337.06998	46.9
338.07407	2.2
339.08609	0.3
349.07007	11.6
350.07410	0.6
351.08551	4.1
353.06314	0.2
355.08105	1.1
361.07010	9.1
362.07205	0.4
367.08063	22.5
368.08362	1.2
379.08063	20.5
380.08371	0.7
385.09079	0.2
397.09116	25.0
398.09500	1.4
415.10168	40.2
416.10553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.4
57.03418	2.5
67.05497	4.3
69.03417	11.0
69.07079	4.2
70.06579	4.0
70.54422	6.5
71.04985	2.2
73.02905	7.7
79.05486	5.3
81.03395	1.9
81.07065	9.7
83.04974	2.6
84.08181	1.8
85.02903	17.9
91.05466	4.1
93.07039	6.0
95.04964	1.9
95.08598	6.4
97.02872	10.5
98.97576	7.1
99.04445	1.8
105.06998	5.3
107.04932	2.9
107.08589	15.8
108.08104	4.2
108.08887	1.6
109.02882	2.9
109.06494	4.8
109.10119	8.2
115.03896	3.6
116.98576	5.0
117.07043	3.4
119.08579	8.1
121.06418	2.3
121.10104	10.3
122.09647	2.2
123.08048	3.8
125.05941	1.7
127.03903	7.5
129.06969	2.5
131.08559	3.5
133.10120	100.0
134.10460	4.7
135.08035	14.9
135.11716	3.4
136.11183	3.1
136.63707	1.8
137.06021	2.6
137.09610	51.5
138.09969	2.1
145.04913	7.6
147.11649	4.4
149.01205	2.6
149.12206	2.2
149.13263	12.8
157.10094	2.1
161.12019	2.5
163.05963	2.6
164.14342	5.6
173.13228	5.3
174.23004	1.9
177.00735	1.9
190.15910	2.0
191.14282	56.8
192.14659	2.6
199.14830	2.4
209.15356	22.5
209.21365	1.7
216.17398	11.6
217.15854	3.5
234.18518	35.6
244.71799	1.8
252.19472	3.2
268.80939	2.1
283.05945	2.0
379.08105	2.9
384.20593	8.8
396.23676	6.4
409.15039	3.6
414.20865	21.2
415.09985	2.3
415.23407	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71135	3.2
56.96549	11.9
57.03432	21.8
61.02915	16.7
68.96589	3.3
69.03414	19.5
69.38872	3.5
70.06579	8.1
70.68635	14.4
73.02914	55.0
74.25207	3.5
81.03393	7.5
84.08170	3.9
84.96014	3.8
85.02490	4.6
85.02902	49.6
86.09692	6.3
87.04450	5.0
95.04961	3.5
97.02892	22.4
98.03232	4.6
98.97578	27.5
99.04496	4.9
109.02824	4.6
110.97527	5.3
112.05064	8.7
112.99136	3.8
115.03935	9.1
116.07091	10.6
116.98646	22.3
119.01858	5.4
127.03893	11.9
128.07109	4.7
128.98579	6.9
131.00130	6.3
131.01880	6.2
133.03442	4.3
134.99663	5.3
137.05981	4.6
142.08667	4.1
145.04948	5.9
146.99571	6.2
149.01201	5.1
154.28107	4.4
155.01848	3.8
158.99641	9.5
161.01122	5.8
162.05437	4.2
162.34996	4.9
166.08591	5.6
170.06216	4.1
173.01196	5.5
174.03188	3.8
177.00656	6.0
178.04965	11.5
187.04538	4.4
189.00728	4.9
190.85619	4.0
194.72650	3.5
215.04732	3.6
215.25133	4.3
219.01740	10.7
223.98851	3.6
237.02756	21.0
242.69603	3.7
275.06134	6.8
290.66879	3.7
294.05701	5.9
321.10236	15.4
322.10660	7.3
323.10229	5.9
325.09552	11.2
330.05930	3.8
337.07941	4.7
415.09790	100.0
416.10431	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01857	1.8
57.03435	25.7
59.04987	1.2
61.02921	16.3
61.65824	1.1
66.94650	1.0
69.03425	31.4
70.96228	3.2
71.01352	3.9
71.04985	2.5
73.02913	59.3
77.38432	1.2
81.03407	7.3
81.07034	1.7
83.04973	1.5
85.02899	100.0
86.03220	1.4
87.04455	4.3
91.03954	6.1
91.05458	1.6
94.38325	1.1
95.04955	6.3
95.08611	1.5
97.02885	53.9
98.64176	1.1
99.04470	4.3
107.08574	1.7
107.62765	1.1
109.02876	7.3
113.90253	1.1
115.03922	37.3
122.51771	1.2
127.03905	31.1
127.04661	1.1
133.04947	11.2
133.10094	2.2
138.37814	1.1
145.04950	63.1
150.07590	5.3
163.06009	31.2
193.05025	2.1
202.99722	1.1
204.23924	1.2
205.04816	1.5
217.12177	1.3
223.06006	3.7
241.07054	5.7
259.08151	4.5
265.16479	5.0
271.06006	3.5
283.06033	3.5
295.10208	4.0
329.15588	1.2
337.07086	1.6
371.16803	2.4
414.21655	4.5
415.10330	2.2
415.15704	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01869	2.9
57.03435	28.8
61.02939	14.8
65.40716	1.9
69.03428	35.3
69.07060	3.2
70.88014	3.4
70.88353	2.0
71.01360	1.8
71.04995	2.1
73.02916	57.5
79.05463	2.0
81.03416	8.5
81.07040	5.7
83.04975	2.3
85.02901	100.0
86.09694	2.3
87.04457	3.5
91.03962	5.5
91.05428	1.9
93.07028	3.6
95.04958	6.6
95.08591	2.4
97.02885	49.6
99.04455	4.8
105.07014	4.1
107.08599	6.4
108.43964	1.8
109.02841	8.3
109.06579	2.2
109.10175	2.2
115.03922	36.7
119.08562	2.6
121.02863	2.0
121.10127	4.6
127.03914	32.0
133.04994	11.3
133.10124	28.1
134.10507	2.1
135.08040	3.6
137.05978	2.9
137.09633	13.8
145.04953	58.4
145.10075	2.3
149.13264	5.1
150.07631	2.6
163.06006	29.7
165.12926	1.8
167.06958	1.7
173.13232	2.0
187.06056	2.4
191.14299	16.1
192.14702	2.3
193.23552	1.8
209.15245	8.6
215.54718	1.6
223.06096	3.7
231.10864	1.7
234.18590	5.1
241.07019	4.7
252.16193	1.6
259.07999	2.9
265.16492	4.7
271.06061	3.3
283.06021	4.7
295.10324	2.8
300.21225	1.7
318.29349	1.8
337.07053	2.8
371.16516	2.0
414.21582	9.3
415.09872	6.0
415.15552	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	414.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01871	3.3
55.05512	2.1
57.03435	30.7
57.41103	1.0
60.04511	1.6
61.02918	14.9
69.03429	38.6
69.03809	2.4
69.07060	1.7
69.94707	1.7
69.95123	4.5
70.06597	2.7
71.01350	4.6
71.04987	2.5
73.02914	66.8
79.05487	1.7
81.03401	9.0
81.07046	2.8
83.04968	2.4
85.02902	100.0
85.06541	34.1
85.07059	1.2
87.04466	4.1
91.03954	4.1
93.07034	1.3
95.04966	2.0
97.02892	55.9
99.04449	6.2
103.03925	1.7
103.07574	6.4
109.02873	10.1
109.06513	3.2
113.06024	1.2
115.03927	43.7
116.98537	1.1
127.03916	32.1
133.04961	17.9
133.06448	2.0
135.08028	1.6
145.04959	52.5
150.07582	1.2
151.07515	1.4
153.09119	1.6
163.03889	1.1
163.06026	25.1
163.07385	1.7
175.07640	1.1
175.29027	1.1
177.05405	1.3
181.08621	3.7
187.81435	1.0
199.09708	8.9
211.09685	3.0
217.10712	1.3
218.16931	1.0
223.06038	4.0
229.10736	21.6
241.07072	6.4
253.06473	1.1
259.08099	9.2
295.10291	11.3
300.55859	1.0
378.26306	1.1
414.17432	2.6
434.94189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19371	1.4
53.80297	1.5
55.01860	1.8
57.03435	43.2
57.07075	1.9
59.04994	6.2
60.04517	2.2
61.02917	14.3
69.03428	37.4
69.07061	2.2
70.83780	4.0
71.01344	5.4
71.04971	2.7
73.02916	100.0
73.06547	6.7
81.03419	5.4
85.02901	73.0
87.04448	4.7
91.03952	4.0
91.05469	7.2
97.02892	67.5
98.06095	2.0
99.04452	2.1
109.02856	5.3
115.03925	65.2
126.05540	1.9
127.03907	29.9
130.09775	1.6
132.06525	4.6
133.04970	20.5
144.06561	12.3
145.04959	37.5
149.11739	11.3
149.33179	1.7
150.07605	6.5
162.07661	9.2
163.06018	22.4
180.08621	9.7
193.04886	1.8
217.74243	1.8
223.06110	8.6
232.85194	1.5
241.07108	5.3
247.11751	3.9
259.08090	4.9
265.12863	2.6
286.78622	1.7
294.11850	3.9
295.10162	5.6
312.12900	2.9
339.39594	1.6
403.46878	1.7
403.63690	1.6
417.02405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05511	40.2
56.43579	2.5
57.03428	19.8
57.07074	34.2
59.04996	3.0
59.58051	2.3
64.13605	2.5
67.05505	17.1
69.07067	52.0
71.08630	26.0
71.61023	3.4
71.61497	3.4
79.05494	7.1
81.07048	31.3
82.56438	2.4
83.08622	32.0
85.10188	16.3
93.07050	15.1
95.05000	2.8
95.08598	29.0
97.06528	8.3
97.10174	21.7
105.07050	3.7
107.08576	14.4
109.10136	12.8
111.08076	5.4
111.11720	9.8
119.08640	3.1
121.10122	11.9
123.11715	7.5
125.09621	6.1
125.13216	2.8
133.10165	8.6
135.11703	11.7
137.13228	3.3
139.11194	4.7
145.10107	3.2
147.08049	5.6
147.11719	3.5
147.85559	2.5
149.13286	10.9
153.49080	2.6
161.09625	4.9
163.14804	3.6
173.09554	6.0
181.16005	3.1
189.12732	3.1
191.18019	5.0
203.14409	3.3
229.15881	3.5
251.23590	3.1
303.30496	3.9
321.31577	11.6
339.26544	2.7
367.30106	11.0
395.29553	6.8
395.35190	11.3
413.30527	39.5
413.36246	100.0
414.30756	7.5
414.36737	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	413.2143
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.30998	0.2
50.77865	0.2
55.05489	0.3
59.04987	0.3
60.00360	0.2
69.03419	0.6
69.31554	2.9
73.02893	0.3
73.06519	0.3
81.07037	0.4
85.02892	0.8
91.05475	0.8
96.37886	0.2
97.02906	0.4
98.20705	0.5
107.08609	0.3
119.08606	0.3
124.07585	0.5
124.34329	0.2
137.06061	0.4
145.04953	0.4
149.11720	0.6
164.07062	0.4
177.05350	0.2
182.08197	0.4
189.09079	0.4
197.95084	0.2
203.05247	1.5
293.15805	0.3
395.12491	0.4
413.21423	100.0
414.21594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.7
57.07072	6.1
59.57398	1.1
67.05500	16.3
69.07060	11.7
70.32313	4.0
71.08608	2.3
72.69638	1.1
79.05480	4.2
81.07052	69.9
83.08614	5.2
91.05477	2.5
93.07038	9.9
95.08600	100.0
97.10175	2.7
105.07011	5.0
107.08578	10.7
109.10151	25.0
111.08057	1.6
119.08550	5.0
121.10148	9.1
123.11693	20.1
126.64985	1.1
133.10127	3.9
135.11674	8.7
137.13243	73.7
139.52229	1.4
143.08505	1.4
145.10089	3.2
147.11673	4.0
149.13249	7.3
151.14790	9.5
157.10109	2.4
159.11713	2.6
161.13231	3.6
163.14780	4.4
173.13264	1.6
175.14809	1.7
177.16341	1.4
179.17967	3.5
185.13123	2.1
187.14767	2.0
189.12714	1.2
189.16423	2.0
193.19484	3.0
199.14832	1.6
203.14301	1.2
205.19487	4.0
207.13765	1.4
215.17876	1.6
217.19397	7.0
219.13847	1.5
227.17934	4.3
233.15407	3.4
243.17430	1.4
245.19008	10.7
257.19040	1.6
261.18478	3.2
263.20047	3.5
275.20020	4.9
410.34775	1.2
413.21698	1.5
413.34384	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	413.2143
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.49942	0.2
57.03429	0.8
57.54497	0.3
59.04962	0.3
61.24513	0.3
63.63641	0.3
67.05515	0.4
69.03421	1.1
70.02097	1.6
70.06593	0.5
71.35115	0.2
73.02907	1.2
73.06538	0.6
73.53455	0.3
79.05472	0.5
83.01953	0.3
83.04984	0.3
83.08622	0.4
85.02889	2.1
93.07050	0.4
97.02886	1.3
105.06967	0.6
107.08562	0.4
109.06536	0.4
115.03932	0.7
126.33417	0.3
127.03907	0.6
136.07536	0.5
136.98276	0.3
140.01619	0.4
145.04951	0.7
149.11737	0.3
164.07059	1.3
177.05475	0.5
182.08101	1.3
187.69025	0.3
203.05237	6.6
245.11865	0.3
251.09122	1.3
252.08829	0.3
413.21457	100.0
414.21860	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84974	1.4
53.03945	1.4
55.01871	1.8
55.05257	2.5
55.05506	31.6
57.03417	5.1
61.02924	3.2
67.05504	1.7
69.03419	10.7
69.07055	2.8
71.04990	1.7
71.59495	2.0
73.02917	10.5
79.05486	2.3
81.07057	3.5
82.06556	4.2
83.08615	78.9
85.02902	18.7
87.04452	1.9
96.04501	1.8
96.08121	2.4
97.02890	13.1
97.06533	1.8
98.06052	15.0
101.09651	65.1
109.02893	2.5
109.06544	2.6
110.05264	3.0
110.06034	54.7
112.03944	2.0
112.07595	5.7
115.03917	4.1
119.10691	21.9
119.90392	1.3
120.06561	5.3
122.06019	4.1
123.04429	1.4
124.07583	23.2
127.03914	5.6
136.06175	65.2
137.04671	1.3
138.09097	1.9
140.07059	15.5
142.08623	100.0
145.02812	1.6
145.04955	3.4
147.04503	1.3
154.08620	52.4
162.04111	38.8
163.04045	1.7
171.11566	1.6
177.05473	2.2
183.02121	1.4
229.72591	1.5
251.13899	25.5
251.16321	2.3
281.09930	43.4
304.13821	2.6
407.12445	1.8
413.14075	30.3
413.18668	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07401	0.5
51.11933	0.5
69.03415	0.8
70.69678	2.1
72.28325	0.6
81.07042	2.4
85.02866	1.1
91.05478	0.9
93.07063	0.7
95.04945	0.6
101.31308	0.6
105.07043	0.8
107.08571	0.9
133.10152	0.7
135.11673	0.6
144.00288	0.6
149.13162	0.7
185.04221	6.1
197.10181	0.7
213.09798	1.1
243.14526	0.7
251.12555	100.0
252.12900	2.4
267.22699	0.6
269.12280	6.4
287.13385	5.0
369.18622	1.1
413.17764	99.2
414.18118	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	413.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05508	32.3
56.96566	1.9
57.03432	7.9
59.04985	1.4
61.02916	2.8
69.03423	12.8
69.07062	2.3
70.06588	4.6
71.01361	2.0
71.58294	2.1
73.02924	14.7
81.03388	2.7
81.07042	2.2
83.04998	2.1
83.08612	100.0
83.46177	1.1
84.96058	1.6
85.02898	24.6
85.06576	1.5
87.04472	1.3
87.05583	5.5
91.05480	2.6
93.07029	2.2
94.06583	1.6
95.04988	1.5
97.02882	14.9
98.21409	1.3
98.97572	4.0
99.04418	2.1
101.06038	1.9
101.09651	30.1
105.07047	1.9
107.04920	1.2
109.02892	2.6
112.07637	1.8
115.03905	8.4
116.98618	2.0
119.10689	21.9
122.05997	2.2
124.07605	1.3
127.03905	6.9
129.50247	1.3
131.08571	2.8
133.04993	1.4
133.06502	1.4
134.99683	2.2
137.05975	5.7
140.07040	1.9
145.02899	1.8
145.04977	4.6
147.04390	3.3
156.58275	1.2
161.05902	1.8
163.03845	2.7
163.06036	1.2
177.00818	1.5
177.05501	4.3
185.09184	2.1
192.05969	2.3
200.62685	1.3
210.06963	1.3
219.06685	1.7
220.07738	1.5
226.07892	1.5
235.83469	1.3
237.02760	2.4
251.09325	8.7
254.14934	3.0
358.00925	1.4
360.09497	2.0
413.14874	14.1
413.27444	6.8
414.15466	1.9
422.83563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.08952	0.4
55.05254	0.8
55.05508	12.6
56.05029	0.6
57.03425	2.1
57.34089	0.4
61.02910	1.6
67.05513	0.6
67.12045	0.4
69.03426	4.2
69.07050	0.9
70.06586	0.7
71.33965	0.4
71.59873	0.6
71.60233	0.7
73.02920	3.9
74.06065	2.0
79.05467	0.6
81.03404	1.3
81.07032	0.5
82.06583	1.0
83.08612	27.7
85.02905	7.5
87.04447	0.8
87.05558	0.5
91.05473	0.8
95.04945	0.5
97.02885	6.2
98.06038	3.1
98.97583	0.7
101.09651	24.7
102.05545	1.2
105.07001	0.7
109.02883	0.8
109.06540	0.6
110.06036	12.5
112.07575	1.1
115.03929	2.2
116.11516	0.5
116.98598	0.7
119.03538	2.2
119.10680	8.1
120.06571	9.8
122.06001	1.3
123.04428	0.5
124.07597	4.9
127.03902	2.3
132.30765	0.4
133.04930	0.7
136.06177	100.0
137.04588	2.0
137.05779	0.8
137.79002	0.5
140.07048	3.7
140.85791	0.4
142.08623	19.8
145.04918	1.8
151.61140	0.5
154.07541	0.3
154.08627	8.7
160.22829	0.5
162.04105	62.3
163.04312	0.6
177.00737	0.7
177.05479	1.1
193.08568	0.5
195.11285	0.6
204.67737	0.5
223.05923	0.6
228.05273	0.5
237.02881	0.7
251.14020	6.0
258.80756	0.5
268.10434	1.5
281.09915	60.2
282.10165	1.2
413.13995	7.6
413.18314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03944	1.5
55.01852	1.1
55.05299	0.3
55.05508	3.8
55.07075	0.3
56.05036	3.9
57.03434	0.5
57.07064	1.0
59.95435	0.3
60.04521	2.5
63.36920	0.3
65.03931	0.6
66.04659	0.3
67.05505	11.3
68.05030	0.8
69.03429	3.9
69.06763	0.4
69.07069	3.7
70.06586	0.8
71.03278	0.7
71.04994	3.1
71.08614	1.0
72.08138	0.6
77.03881	0.3
79.05491	12.7
80.05006	3.8
81.03416	1.9
81.05809	1.8
81.06575	0.5
81.07056	10.7
82.06583	5.2
83.04981	0.7
83.08616	2.7
84.08119	0.4
85.06541	2.1
87.04475	2.9
91.05486	5.8
93.07044	22.0
94.06567	18.0
95.04975	4.0
95.08604	18.8
96.08137	3.2
97.06519	4.4
97.10166	1.6
103.05454	1.0
105.07033	9.8
106.02716	0.4
107.07336	3.8
107.08604	0.6
108.08104	0.6
110.09679	9.8
111.08080	12.9
111.11709	0.6
119.08605	0.4
120.08127	0.7
121.10144	0.7
122.09664	35.4
123.08066	26.2
124.08474	0.5
128.10718	35.4
129.11101	0.4
133.10109	0.5
135.11716	0.4
140.10699	100.0
141.09102	10.0
141.11050	1.3
158.11760	8.8
159.11810	0.4
191.28413	0.3
254.24774	1.2
272.25830	6.3
272.28546	0.6
278.28452	0.4
290.28751	0.4
352.32376	0.3
364.32196	1.3
376.32214	0.9
382.33209	5.2
394.33148	13.9
412.34238	12.6
413.34998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01866	2.4
55.05501	2.3
55.64855	0.8
56.96556	0.7
57.03433	27.4
58.73797	0.6
59.04996	0.7
61.02927	11.8
62.86080	0.6
69.03427	28.7
70.06586	1.1
71.01303	4.3
71.04984	2.1
73.02915	55.1
81.03419	6.1
81.07028	0.9
83.04994	0.7
83.08595	4.0
85.02901	100.0
86.03214	0.8
87.04463	2.5
91.03950	3.8
91.05506	0.9
92.92941	0.6
93.07047	0.8
95.04961	1.1
95.08620	0.9
95.76730	0.6
97.02889	50.2
97.99419	0.6
98.03223	1.3
98.97569	0.9
99.04465	4.1
101.02383	0.7
105.07036	0.8
107.08575	1.5
109.02867	8.7
109.10165	0.8
115.03931	31.2
120.08086	1.6
121.02896	0.9
121.10134	0.7
126.58738	0.7
127.03908	33.4
132.06650	0.9
133.04970	10.2
133.10121	0.8
144.06508	0.9
145.04955	59.3
150.07605	2.4
158.99611	0.7
163.06013	37.0
181.07091	1.6
193.04945	0.8
197.11748	1.0
203.05237	0.7
204.08629	1.2
209.15260	1.0
223.05963	3.7
227.12848	1.0
229.82817	0.7
232.17284	0.7
237.02750	0.7
241.06975	5.2
250.11041	0.9
259.08121	6.0
263.14886	14.8
295.10248	4.5
307.60394	1.0
311.13275	1.0
319.10800	1.6
394.09286	1.2
412.20242	37.5
413.09061	1.0
413.17334	10.8
429.14572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
57.07074	31.8
60.88907	0.9
65.01586	0.9
67.05495	1.1
69.03394	0.8
69.07063	4.6
69.62518	3.5
69.62957	3.2
71.08629	45.3
72.27668	0.8
73.06555	6.2
81.07057	1.0
83.08620	1.4
87.04454	2.9
89.06027	100.0
90.62759	0.8
95.08593	1.0
105.07045	1.4
107.07069	5.7
109.10184	0.9
113.13267	4.0
117.09122	2.9
119.08511	0.9
121.10118	1.0
130.08627	4.0
133.08600	40.7
151.09624	1.4
157.15877	6.9
177.11223	20.5
186.26442	0.9
195.12204	1.9
198.18568	1.6
201.18495	17.7
221.13834	2.4
239.14836	2.8
245.21118	7.5
247.25331	1.0
283.17511	15.9
298.59171	0.8
307.24823	2.7
351.27319	2.1
385.69177	1.0
395.30045	40.5
412.23099	1.0
412.33862	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	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05496	2.2
56.27013	0.7
56.96544	0.7
57.03432	24.9
58.42715	0.6
59.05008	1.0
61.02917	11.8
69.03425	28.6
69.07046	1.1
69.62054	3.9
71.01346	2.3
71.04987	1.5
73.02911	51.0
73.15907	0.7
79.05505	0.9
81.03421	5.8
83.08614	4.2
85.02898	100.0
87.04472	2.4
88.61377	0.5
91.03934	5.1
93.07020	1.5
95.08602	1.0
97.02884	50.4
98.97584	1.1
99.04449	3.8
101.02361	0.8
107.08598	1.6
109.02869	10.2
109.10111	0.8
115.03921	31.3
116.98611	1.1
121.10120	0.8
127.03905	34.8
127.75715	0.7
132.06566	0.6
133.04956	9.5
137.09570	0.8
145.04944	60.3
150.07623	1.9
158.36978	0.7
163.06000	35.6
177.00728	0.8
181.04930	0.8
193.05011	1.1
204.08611	1.4
206.15269	0.7
214.18625	0.7
223.05852	3.1
237.02797	1.2
241.06964	6.2
245.13898	1.1
259.08087	5.5
263.14877	18.1
295.10181	5.8
412.20187	34.0
413.17639	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15385	1.3
55.01864	7.3
55.05498	5.7
57.03432	18.5
59.04990	3.1
61.02926	17.2
69.03427	31.1
70.52415	2.0
70.52743	3.3
71.01338	4.6
71.04998	7.7
73.02911	85.1
81.03424	7.2
81.07061	2.0
83.08604	4.4
85.02899	100.0
87.04460	4.5
91.03930	3.5
91.05502	1.8
93.07005	1.8
97.02882	63.7
97.03516	3.0
97.15571	1.5
99.04443	4.0
101.09696	1.7
103.03947	2.3
109.02885	11.0
111.08091	2.6
114.67543	1.4
115.03917	30.9
121.06538	1.5
127.03909	39.7
133.04941	41.9
139.07530	4.3
141.09045	2.4
145.04953	61.6
150.07593	4.9
151.07613	2.0
163.06006	28.8
179.10716	1.8
193.04906	1.6
197.11667	3.5
215.12788	4.1
217.07169	4.2
217.57455	3.0
223.05986	9.2
227.12772	2.5
233.13794	2.0
241.07066	11.5
245.13838	5.5
259.08096	13.4
263.14868	5.4
277.09235	5.5
295.10165	5.3
412.20090	4.5
413.21289	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20974	0.3
56.96555	0.5
57.03428	0.8
57.11053	0.3
67.05482	0.4
67.33089	0.3
68.54800	0.3
68.55140	0.4
69.03420	0.8
69.07066	5.7
69.32319	0.3
69.32714	0.3
70.99303	0.4
70.99638	0.8
71.04973	0.3
71.63126	0.3
73.02909	2.0
75.18552	0.3
76.52216	0.3
77.49998	0.3
79.05489	0.4
80.41188	0.3
81.07048	0.6
82.75188	0.3
85.02897	1.8
85.06535	0.9
86.03207	0.4
86.09728	0.4
90.77569	0.3
91.05474	10.0
93.07024	0.8
93.59531	0.3
96.34154	0.4
97.02877	1.0
98.97565	1.2
107.08567	0.5
110.97546	0.5
115.03941	0.5
116.98595	1.0
121.10181	0.6
127.03943	0.7
128.98584	1.0
131.08603	0.5
134.99663	0.3
137.05879	0.4
145.05013	0.7
146.99625	0.5
158.99702	0.4
170.99631	0.5
173.01352	0.4
177.00677	0.9
189.00668	1.0
193.04935	0.4
203.05261	24.6
204.05539	0.4
213.18452	0.9
230.06300	0.4
231.01714	0.7
231.09917	3.6
231.19481	0.4
233.11848	0.4
237.02849	1.4
249.02817	1.6
249.11040	0.8
249.13446	0.3
267.10791	0.4
285.23138	0.4
291.04004	0.9
291.10849	0.5
295.03259	0.4
309.11871	0.9
327.07455	1.9
377.11066	0.9
411.16226	100.0
412.16687	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09395	3.5
51.91798	3.5
53.03941	4.9
53.05709	3.1
55.01886	4.7
55.05500	7.6
57.03432	37.9
58.47454	3.3
61.02918	14.7
67.05494	6.4
67.48006	3.2
69.03422	52.3
69.07059	8.2
69.57045	6.1
69.57451	23.5
71.01338	5.7
71.04967	4.8
72.08167	3.7
73.02915	67.7
79.05495	7.4
79.84340	3.4
81.03409	10.3
81.07055	49.6
85.02898	100.0
87.04494	4.0
87.38834	3.7
91.03945	6.3
91.05476	8.6
93.07041	8.8
95.04951	5.0
97.02887	70.3
97.06561	5.7
98.97585	8.6
99.04439	4.2
99.08086	9.2
100.08420	4.1
105.07035	4.7
105.15215	3.9
107.08623	4.4
107.37325	3.4
109.02884	13.2
109.06481	7.1
115.03914	35.3
116.10738	15.3
116.98639	6.0
117.11057	6.3
123.08087	7.0
127.03893	32.2
133.04962	16.6
135.11665	5.5
145.04964	46.6
147.09142	22.5
158.99602	3.9
162.05527	13.3
163.06009	27.5
163.07303	5.6
191.08145	23.5
195.10242	4.6
203.05322	9.0
213.11214	6.1
213.14803	5.9
214.11586	5.7
223.06042	4.1
237.02693	6.3
243.12285	11.2
249.07576	5.9
279.16330	3.8
281.14990	18.9
307.53784	4.2
325.13977	30.9
394.12265	6.6
411.11691	53.6
411.16586	24.5
412.12799	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05516	0.9
57.03413	1.0
65.85986	0.5
67.05478	1.8
69.03413	0.8
69.07046	1.5
70.06562	0.5
70.80933	1.7
71.04960	1.1
73.02893	0.5
76.39603	0.5
78.36720	0.5
78.58588	0.5
79.05473	1.6
81.07051	3.7
81.13574	0.6
83.08608	1.2
85.02864	1.5
85.06512	2.1
91.05486	0.8
93.07005	1.9
95.08582	2.6
97.02888	0.9
99.08089	1.8
105.07016	1.0
107.08579	1.3
109.02879	0.6
109.10110	1.7
113.09623	0.6
116.39690	0.5
119.01866	0.5
119.04942	0.6
119.08605	0.7
120.05232	0.6
121.02827	1.7
121.10109	1.0
127.03880	0.9
131.08501	0.7
135.11664	1.8
137.05943	0.9
149.09566	0.7
164.04367	0.6
177.16342	1.5
192.03975	1.1
195.17444	1.7
201.03676	7.6
203.05255	33.4
204.03841	0.6
213.18491	4.2
216.09999	0.6
231.10007	4.6
231.19478	1.8
233.11475	3.0
249.07390	1.0
249.09636	1.3
249.20587	1.5
250.76936	0.7
252.06148	1.0
267.10709	2.1
280.05518	0.9
291.10703	2.4
296.06314	0.9
297.06476	1.7
309.06415	0.9
309.11859	3.3
311.08221	1.1
322.07581	0.7
323.08118	0.9
327.07587	2.4
337.09732	1.8
339.08182	0.6
347.08469	0.8
347.13174	1.2
351.07590	1.6
351.12750	1.1
365.09140	2.5
365.13797	0.9
367.17368	0.8
393.08591	5.1
393.13864	1.9
411.09805	9.8
411.16055	100.0
412.16498	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.8
57.07800	0.7
61.02922	1.2
66.29169	0.6
67.05498	0.9
69.03417	2.9
69.07063	7.2
71.04988	1.0
71.60384	1.1
73.02904	2.4
74.14960	0.7
77.22428	0.7
79.05460	1.0
81.03412	1.0
81.07050	1.9
85.02899	4.0
86.03251	0.8
91.05490	6.5
93.07047	1.6
95.04951	1.3
95.08619	0.8
97.02884	2.8
98.97595	1.3
109.02859	1.1
115.03905	0.9
116.98637	1.6
121.10178	1.1
127.03901	3.0
131.04851	0.6
134.99626	0.7
135.11650	1.1
137.05971	0.8
142.65694	0.7
145.04927	1.9
149.09615	1.1
158.99754	0.8
163.06024	1.1
185.04221	1.8
189.00638	1.0
189.05295	0.8
203.05241	17.6
213.14748	1.0
219.01755	1.1
231.09900	3.0
237.02802	1.3
248.06532	4.8
249.07336	6.4
249.11002	2.6
291.03983	1.0
291.10770	0.7
309.11813	1.0
393.12863	0.9
393.23767	0.7
411.12421	100.0
411.16525	52.8
412.12344	5.2
412.17572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05497	1.3
57.07078	4.3
58.06610	1.1
65.03950	1.3
67.05511	1.7
69.03403	1.4
70.06593	15.6
70.76585	1.2
71.08622	2.5
72.08146	0.8
72.10632	0.7
79.05489	0.8
81.03400	1.0
81.07042	2.7
83.08614	0.9
85.02876	0.9
88.07628	17.0
91.05468	1.6
93.07044	1.2
95.04956	1.1
95.08591	3.1
97.87888	0.7
98.11813	0.8
98.97534	0.8
100.11271	1.7
102.08550	0.9
102.09174	13.5
105.07019	1.7
107.08620	1.0
109.02808	0.8
109.10110	1.1
111.04428	0.7
116.72706	0.7
116.98616	0.7
117.07023	0.7
118.06584	0.8
119.08545	1.2
121.02823	0.8
137.05968	1.0
139.03876	1.9
145.10132	1.0
146.06110	0.8
147.11691	1.0
149.02341	46.4
149.03371	1.9
151.07581	0.8
156.17525	0.9
165.05518	0.8
171.11642	0.7
193.04951	47.4
194.05235	1.8
200.20084	52.2
201.20445	1.9
210.14944	0.8
223.14606	0.8
237.07565	62.3
238.07892	1.9
244.22809	2.1
303.04559	1.8
349.53018	0.7
374.27615	1.0
395.07211	1.1
406.42508	0.9
410.09927	4.1
410.25354	100.0
411.14572	1.5
411.25592	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	411.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29589	0.8
53.08395	0.9
56.65260	0.9
56.96565	15.7
57.03413	1.4
60.03910	1.2
68.96563	1.1
69.03414	1.6
69.74245	3.6
69.74674	3.2
70.48319	1.0
72.14339	0.9
73.02913	2.8
73.76385	1.0
81.31874	0.9
84.96021	6.5
97.02875	1.7
98.97582	62.5
107.50099	0.8
110.97564	28.9
112.99128	9.5
116.98621	36.5
119.01950	1.4
128.98605	43.2
131.00177	14.8
131.01868	0.9
133.03481	3.3
134.99667	13.4
137.29765	0.8
138.01868	1.1
140.00227	1.4
140.98633	1.2
144.98103	4.4
145.01724	1.0
145.03482	1.5
146.99655	27.0
149.01224	9.3
151.04532	1.3
152.00162	1.0
153.00658	0.9
155.00153	3.3
155.01973	1.3
157.03523	1.6
158.99644	10.9
159.05081	1.0
161.01273	3.8
161.02969	2.1
162.99161	3.2
165.00734	3.9
167.02205	1.4
170.01176	1.1
170.98175	1.6
170.99649	32.5
171.04976	1.3
173.01260	10.8
173.02962	2.6
175.04536	2.7
177.00705	12.5
185.03108	1.3
186.99213	2.9
187.04567	1.2
189.00716	100.0
191.02307	3.9
194.53606	0.9
197.03078	1.2
201.00685	2.5
201.06157	1.2
204.05006	1.1
205.00279	1.3
207.01779	20.5
207.03561	1.6
212.02324	3.6
213.00784	3.2
217.05594	1.2
231.01764	20.7
231.03857	1.7
237.02817	1.4
245.55147	1.1
249.02812	30.0
262.54636	1.0
267.03903	7.5
275.56342	2.1
276.06458	2.7
276.56897	1.4
279.07654	1.1
284.05579	1.3
291.03860	86.8
292.04318	1.5
292.33090	1.0
295.08875	1.2
309.04929	64.4
332.06516	4.8
351.05914	13.7
351.11169	1.8
403.58749	1.1
411.09073	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	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37031	1.1
53.03917	1.8
55.01857	3.1
55.05499	3.1
56.05051	1.1
57.03429	2.8
60.04509	3.8
61.02912	1.8
62.75225	1.2
67.05474	2.9
69.03428	9.1
69.06648	0.9
69.07040	1.4
69.93040	4.0
69.93452	3.0
70.06590	1.5
73.02897	2.4
79.05481	2.4
81.03397	3.2
81.07056	19.0
83.08606	2.5
84.04037	1.5
84.04499	21.9
84.08129	3.6
85.02896	12.3
85.06528	4.8
86.06055	7.5
87.04461	5.0
95.04937	1.6
97.02885	4.1
97.06516	1.0
98.09693	6.7
98.20853	2.3
98.97559	1.5
99.04455	1.2
99.08071	2.0
102.05524	5.4
104.07094	16.7
109.06497	7.7
116.98602	2.2
123.04398	1.2
126.09146	94.3
127.03880	1.4
127.07530	11.6
127.09454	1.3
132.08092	5.5
137.05931	1.3
139.11768	1.3
144.10188	89.2
146.05972	4.7
146.99632	2.1
150.05496	28.7
162.05441	1.1
162.11235	7.4
168.06596	1.2
168.10167	2.3
177.00754	1.7
186.11305	1.6
188.07039	5.0
189.00694	1.6
192.04108	1.5
208.70142	1.1
212.12883	8.0
213.11295	1.8
230.13867	95.1
231.14209	1.3
232.32051	1.2
248.14926	100.0
249.08684	10.6
249.12511	6.2
249.15028	2.3
251.50735	1.4
284.47470	1.2
363.52942	1.3
411.17532	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81887	2.2
53.03934	2.9
55.01852	2.7
55.05508	14.4
56.05023	5.5
56.96557	4.3
57.03432	26.4
58.06598	13.2
59.51698	1.9
60.04506	3.6
61.02936	11.6
69.03428	18.8
69.07076	3.0
70.06583	5.4
71.01359	4.9
71.04977	5.9
71.59798	2.6
71.60211	2.8
72.04507	3.6
72.08147	12.9
73.02916	55.6
74.06062	3.3
77.67446	2.1
79.05479	2.9
81.03400	7.1
81.07047	9.6
82.06585	4.0
83.01369	2.2
83.04980	3.6
83.08588	7.0
84.04504	3.6
85.02897	42.9
85.07653	2.8
86.06066	7.1
86.09696	2.7
87.04424	3.9
91.05474	4.2
93.07033	9.4
95.04972	5.8
96.04486	3.4
97.02890	25.1
97.06504	2.7
98.06052	5.5
98.09695	28.1
98.97566	11.8
99.04427	6.2
99.08112	11.2
100.11259	6.5
102.05531	3.7
107.08597	4.7
109.02873	5.5
109.06510	2.3
110.06028	11.3
111.04366	5.1
111.08054	3.3
113.02350	4.4
114.05506	7.1
115.03918	12.4
116.10722	100.0
116.98615	8.5
119.08585	6.0
121.06474	2.9
121.10132	6.5
122.06006	3.6
123.04396	3.9
126.05505	8.7
127.03930	11.5
127.11188	3.8
128.04253	2.2
128.07085	7.1
128.98581	3.6
131.08546	3.3
133.04938	3.4
134.99605	6.5
135.07988	4.9
139.03931	4.1
140.07007	4.3
143.03363	3.3
144.06511	2.7
145.04918	5.3
146.99693	3.9
147.04362	3.4
147.08049	2.4
149.09618	6.3
153.05431	3.6
156.06493	3.4
158.08110	3.7
158.99615	8.7
160.05743	3.4
162.05479	7.2
165.05379	3.0
165.09149	2.6
167.10637	7.7
169.06221	4.9
174.07607	38.6
176.09219	2.2
177.00711	10.0
177.09015	3.3
178.06712	6.3
185.07137	4.1
186.07602	5.0
195.10185	11.3
204.08624	20.7
213.11172	24.7
219.01707	4.6
225.07179	3.1
225.57068	4.4
226.07748	27.4
226.57864	3.7
234.84294	2.6
235.08424	11.9
237.02818	8.0
246.59071	6.9
249.02588	2.5
250.01003	2.7
278.15948	13.7
319.10339	2.7
336.12808	4.6
337.11661	7.3
344.13889	4.3
410.11118	10.8
410.15527	10.8
410.20364	31.1
411.12338	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	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05495	3.7
57.03421	1.4
60.04512	2.8
61.02921	1.2
67.05495	2.0
69.03425	8.1
69.07046	1.8
70.74543	3.4
71.04953	1.0
72.04491	1.8
72.08146	1.5
73.02905	1.6
79.05463	1.5
80.23602	0.9
81.03393	1.6
81.07049	18.8
83.08609	2.2
84.04498	20.3
84.08117	4.2
85.02908	9.5
85.06522	3.9
86.06052	5.2
87.04462	3.5
95.04937	1.0
97.02869	3.1
98.09663	6.4
98.97598	1.2
99.04475	1.3
99.08086	2.7
102.05537	5.0
104.07091	13.9
109.06516	5.6
118.04998	2.1
118.06527	3.2
126.09147	94.0
127.03889	1.3
127.07565	10.8
127.09464	1.7
132.08084	7.3
144.10185	93.1
145.69106	1.1
146.05981	6.5
162.11241	9.6
168.10191	2.7
188.07030	10.8
194.11807	1.3
212.12772	4.7
213.11150	1.5
230.13860	90.0
231.14139	1.9
248.14920	100.0
249.12352	10.3
249.14986	1.8
411.17499	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	410.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01849	1.2
55.05494	1.7
57.03431	8.8
61.02912	3.5
65.76311	0.7
69.03432	6.6
69.07024	1.2
69.85934	2.2
69.86340	4.2
70.06586	1.3
72.08141	0.9
73.02914	17.0
74.06058	1.3
81.03413	100.0
81.07049	3.3
82.03737	1.3
83.06125	1.0
85.02894	10.6
85.07616	0.8
91.05478	1.6
93.07028	2.9
95.04944	2.8
97.02886	10.4
98.97582	1.1
99.04435	1.8
107.08554	1.3
109.02861	1.3
109.06488	1.1
111.04433	2.5
115.03944	7.6
116.98602	1.6
117.03359	1.3
119.08562	1.1
121.10139	2.4
123.04463	2.0
123.08102	1.0
125.05951	0.8
126.11626	0.8
127.03914	2.8
128.98526	1.1
131.08546	1.6
133.04926	1.8
133.06407	0.9
136.07620	1.5
137.05971	2.7
139.03885	1.1
145.02811	1.9
145.04968	3.5
146.03180	1.1
147.04430	1.2
149.09613	4.1
150.07532	1.6
153.05461	1.6
153.09155	0.9
167.07069	1.4
167.10680	1.0
168.06531	1.3
174.07616	1.0
177.05478	1.9
177.09079	2.4
178.05865	2.2
190.08635	1.0
195.06529	2.8
195.10222	6.0
199.03661	1.0
213.07655	4.7
213.11211	11.6
233.02745	1.8
234.03069	1.4
259.08344	1.0
410.11206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05508	13.2
57.07077	8.0
57.46810	1.0
65.83701	0.8
67.05163	1.7
67.05500	21.6
67.46998	0.8
69.07064	41.6
70.84306	2.6
71.08616	1.5
71.63412	0.9
79.05492	9.1
81.07050	64.6
83.08614	17.1
85.10165	1.3
91.05459	6.3
93.07037	21.8
95.04987	1.4
95.08600	63.4
97.10141	8.0
105.06381	1.5
105.07027	16.8
107.08591	30.4
109.10151	50.6
111.11697	5.7
117.07045	1.4
119.08575	23.4
121.10135	29.4
123.11703	25.3
125.13264	1.1
131.08553	7.1
133.10117	18.4
135.11679	24.4
137.13243	17.1
143.08548	2.6
145.10124	10.7
147.11690	18.1
149.13243	24.8
151.14807	3.3
157.10147	2.9
159.11699	13.6
161.13239	17.2
163.14810	11.4
165.16347	1.3
171.11713	2.9
173.13257	10.7
175.14812	12.0
177.16394	9.3
185.13303	1.6
186.13998	1.0
187.14810	8.4
189.16362	9.4
191.17947	9.1
199.14816	3.3
201.16405	8.8
203.17947	10.2
205.19551	3.8
213.16389	1.8
215.17931	10.1
217.19449	8.1
219.21074	1.6
227.17981	2.4
229.19493	8.7
231.21144	7.4
241.19521	2.0
243.21132	4.1
245.22638	4.6
255.21033	1.9
257.22626	7.9
259.24207	5.8
269.22693	1.3
271.24197	6.4
273.25690	1.1
283.24289	2.0
285.25586	6.7
297.25635	1.4
299.27356	4.2
311.27280	1.4
313.28851	2.6
325.28784	3.3
327.30521	7.7
339.30490	3.4
353.32047	3.6
367.33698	1.7
368.06955	1.1
409.38275	100.0
410.38599	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	409.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.8
55.05304	1.6
55.05513	17.2
57.07067	10.0
65.03921	2.3
67.05505	27.2
69.07066	59.3
71.08634	3.7
71.33031	2.8
71.33366	2.6
79.05494	16.8
79.50153	1.7
79.55515	2.0
81.07055	95.3
81.43375	1.8
83.08614	17.1
90.55123	1.8
91.05475	10.5
92.61467	2.1
93.07046	31.0
95.08604	77.5
96.08920	2.6
97.10178	9.5
105.07027	23.4
107.08587	38.8
109.10154	57.8
109.10908	2.9
111.11705	5.3
119.08581	26.8
121.10136	37.7
123.11690	30.0
131.08551	6.2
133.10130	20.6
135.11682	25.4
137.13260	21.3
145.10101	15.1
147.11674	21.1
149.13245	24.5
151.14781	3.9
157.10150	2.6
159.11681	15.9
161.13246	21.9
163.14818	14.5
165.16246	2.3
171.11783	2.5
173.13261	15.5
175.14832	13.4
177.16391	12.6
185.13287	2.3
187.14822	10.2
189.16356	9.9
191.17940	5.8
199.15059	2.1
201.16447	6.8
203.17996	12.3
205.19511	3.1
213.16432	3.9
215.17880	10.4
217.19553	8.4
227.18044	2.9
229.19490	16.8
231.21115	5.6
243.21007	3.6
245.22701	5.1
257.22693	8.6
259.24207	4.3
271.24203	8.6
285.25732	6.9
298.26270	2.1
299.27374	3.1
325.28619	2.8
327.30447	6.7
353.32150	2.2
367.33612	2.2
409.38293	100.0
410.38708	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39742	2.4
53.03932	3.8
55.05501	24.1
57.07056	10.1
64.42252	2.6
65.03945	4.1
67.05501	27.7
69.03407	9.2
69.07067	25.7
70.71980	3.8
70.72328	6.1
79.04293	2.4
79.05492	20.1
81.07053	71.5
83.04964	2.7
83.08592	8.8
85.06526	4.6
91.05477	27.5
92.42348	2.7
93.07033	42.4
95.04966	41.9
95.08603	100.0
97.06522	4.9
97.10155	3.4
101.23814	2.9
103.05461	2.7
105.07024	81.1
107.08593	43.3
109.06503	10.7
109.10143	41.2
109.49725	2.6
117.07015	12.0
119.08577	62.5
121.06489	10.5
121.10140	33.4
123.08068	11.0
123.11707	22.0
125.13284	3.6
128.06151	3.2
129.07007	6.1
130.07726	3.5
131.08545	16.8
133.10136	24.3
135.08020	9.5
135.11668	15.2
137.13252	31.1
142.07764	6.9
143.08536	10.0
144.09239	2.7
145.06491	3.5
145.10117	28.1
147.08090	14.1
147.09062	2.9
147.11679	41.8
149.09595	8.6
149.13266	14.6
151.07600	14.6
151.14883	4.2
155.08548	7.2
157.10117	17.3
159.08022	5.1
159.11661	12.1
159.96176	2.8
161.09657	4.7
161.13257	14.0
163.11131	3.1
163.14812	7.6
165.09097	23.4
169.10046	7.9
171.11650	6.4
173.09648	5.0
173.13237	11.6
175.11172	26.3
175.14780	9.0
177.09167	3.2
177.16365	15.1
183.11679	4.3
185.13251	4.2
187.11212	3.4
187.14729	6.6
189.12633	3.8
189.16356	3.9
191.17937	5.0
199.14801	3.8
201.12697	8.5
201.16261	5.4
203.14247	7.7
203.17929	5.9
205.19473	3.6
207.11839	2.8
207.13785	3.9
211.14899	3.1
213.12767	2.7
215.14384	3.4
215.17908	5.3
217.19470	5.8
221.15343	50.2
227.17915	3.9
229.15843	4.9
231.21028	17.1
234.16061	16.5
246.41180	2.7
257.22699	4.8
259.24225	15.5
271.24155	11.3
273.64142	2.8
285.25687	4.5
287.19788	4.5
300.20761	3.8
313.28772	3.2
315.73904	3.6
329.21118	4.7
391.26056	6.3
392.31235	3.3
409.27042	40.1
409.38574	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10649	3.5
53.03934	7.9
55.05500	21.7
57.07070	9.2
59.04980	4.4
67.05497	35.3
69.03411	9.1
69.07061	21.9
69.37798	40.5
79.05471	28.6
81.03371	3.9
81.07047	68.8
83.08616	14.6
83.53904	3.4
91.05481	33.1
93.07036	51.8
95.04964	39.9
95.08607	100.0
97.06531	7.5
97.10197	5.7
98.20773	8.1
105.07026	84.4
107.08577	47.9
109.06502	14.5
109.10175	31.9
111.08159	4.0
111.08968	3.8
111.11709	5.6
117.07018	13.4
119.04962	3.7
119.07799	5.1
119.08580	66.5
121.06508	14.4
121.10137	34.5
123.08051	19.0
123.11665	25.2
129.06995	10.3
130.07776	4.4
131.08612	26.2
133.06403	6.8
133.10133	27.3
135.08022	10.5
135.11687	19.9
137.09595	7.1
137.13252	28.1
141.06973	4.1
142.07706	8.9
143.08536	18.6
144.09349	4.6
145.10126	37.3
147.08031	14.2
147.11671	33.9
149.09592	14.9
149.13237	16.5
151.07527	21.8
153.06938	5.0
155.08534	10.1
156.09296	4.5
157.10112	20.0
159.08008	7.3
159.11684	16.9
161.09627	11.4
161.13264	15.2
163.11145	4.3
163.14809	9.1
165.06897	3.9
165.09125	23.2
169.10072	10.6
171.11691	11.8
173.13255	10.9
175.11215	21.3
175.14789	10.6
177.16412	14.4
181.10052	5.4
183.11685	11.7
187.11163	5.3
187.14806	13.8
189.12778	9.2
189.16379	7.0
191.17973	7.9
199.11198	4.7
201.12744	4.8
203.14214	10.5
203.17963	7.9
207.13722	7.3
209.15361	6.2
211.11223	3.7
211.14871	7.1
217.19350	4.5
221.13321	7.1
221.15334	60.2
229.15852	5.7
231.21013	24.3
234.16196	8.1
253.15858	6.7
259.24207	11.6
271.24106	10.8
285.25757	4.3
287.20120	4.3
329.21085	6.7
383.69797	3.8
391.25833	6.3
409.18192	7.0
409.27127	58.9
409.32623	7.8
409.33987	5.7
409.38577	45.8
431.73956	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.3
62.06079	0.5
67.86044	0.3
69.03419	0.3
69.07034	0.4
71.04996	0.3
71.60748	0.3
79.05499	0.4
81.03396	0.4
81.07072	0.7
85.02897	1.1
95.08571	0.4
96.86155	0.3
97.02893	0.4
97.06530	0.4
99.04434	0.4
105.07021	0.4
107.04992	0.4
107.08611	0.6
109.06489	0.4
109.10208	0.4
119.60599	0.3
121.10183	0.4
122.10496	0.3
123.04429	0.3
123.08017	0.5
127.03864	0.4
128.02040	0.3
131.08588	0.3
133.02931	0.4
133.06567	0.3
133.10101	0.4
137.05974	0.6
147.11681	0.4
163.83513	0.3
173.64523	0.3
175.03975	0.3
176.15056	0.4
184.11235	0.4
189.22835	0.3
205.91699	0.3
211.16946	0.4
212.17256	0.4
247.21002	0.4
306.89111	0.3
391.08139	0.7
409.18307	100.0
410.18600	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.6
70.54313	1.3
73.38774	0.3
81.07072	0.4
85.02905	0.3
91.05494	0.6
95.08590	0.4
98.97595	1.8
105.07029	1.3
107.08607	0.4
108.35597	0.3
116.98589	0.7
119.08543	1.0
121.02851	0.3
140.78496	0.3
147.11664	1.0
148.12036	0.5
151.03960	0.3
152.72559	0.3
153.14018	0.3
160.94289	0.3
173.46761	0.3
177.00696	0.5
201.10251	0.4
203.05214	2.6
206.08798	0.4
207.13911	0.5
215.59531	0.4
229.06189	0.4
229.12053	2.5
243.07585	0.9
247.13078	0.4
267.07562	0.6
271.07034	0.5
275.29825	0.4
285.08707	0.9
289.08084	1.0
295.06088	0.6
307.13773	0.6
313.08228	1.4
315.09879	0.4
325.07123	1.0
331.09244	2.4
333.10748	0.8
335.08755	0.5
349.10291	2.1
349.14722	0.7
359.08618	0.6
363.08426	0.5
367.11615	0.5
377.09808	1.1
391.07773	0.9
391.11929	0.6
409.18277	100.0
410.18668	2.4
429.18216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03430	1.5
57.89997	0.4
59.06115	0.4
60.04501	0.5
62.52520	0.4
64.13525	0.5
69.03416	1.6
69.07056	2.0
70.06580	0.9
70.42220	1.6
71.04987	0.6
72.08136	0.5
73.02893	1.3
79.05496	0.9
81.03405	1.3
81.07034	1.9
83.04980	0.5
84.04485	0.5
84.08144	0.6
85.02885	4.2
85.06515	0.6
86.09704	0.8
91.05475	1.0
93.07028	1.0
95.04955	0.7
95.08601	1.6
97.02874	2.2
97.47266	0.4
98.20769	0.6
98.97546	0.9
99.04431	0.6
105.06956	0.7
107.04940	0.7
107.08607	0.8
109.02886	1.0
109.10141	0.6
115.03888	1.1
116.98586	0.6
120.08105	0.9
121.02911	0.5
121.06535	0.5
121.10098	0.6
125.05888	0.5
127.03903	1.9
133.06506	0.5
135.11685	0.4
136.07584	0.8
145.04950	1.1
145.10205	0.6
149.09634	0.5
151.11185	0.7
153.05431	0.7
197.10806	0.7
198.07904	0.9
199.08652	2.0
200.09485	0.7
203.05183	0.6
203.07524	0.7
208.09406	0.4
211.08574	3.2
212.09511	1.1
213.10155	2.3
215.11800	1.5
217.09738	1.4
225.06544	0.9
225.10168	3.5
226.07338	0.6
227.08112	1.0
229.09796	1.8
231.11320	0.9
232.03639	0.6
234.03404	0.6
237.10104	0.7
238.07225	0.6
239.08144	5.5
239.11716	3.3
240.08812	2.9
241.09666	4.8
242.10384	0.8
243.07579	1.9
243.11281	6.7
247.05829	0.7
249.10201	0.6
252.08913	0.9
253.09731	6.3
254.10335	0.5
257.09222	2.9
257.12881	1.7
258.09872	1.2
259.08276	0.6
259.10794	2.9
266.06671	0.5
267.07642	1.8
267.11258	5.4
268.08374	4.8
269.09070	1.2
269.12814	1.4
271.10745	22.6
272.10962	0.6
273.12326	1.6
275.10339	2.2
277.11853	3.4
279.11301	0.7
281.09140	1.2
285.08618	2.7
285.12280	4.4
287.13800	0.7
289.11835	2.3
295.05969	0.9
295.10751	3.4
297.12482	0.5
299.13562	0.7
300.11069	1.6
303.09818	0.9
303.13232	0.9
307.05945	0.5
313.08295	1.0
313.11743	6.5
314.12286	0.5
317.11383	1.6
323.10184	6.2
325.07059	1.5
327.13409	0.9
329.15286	0.6
331.09314	0.8
331.12982	0.5
335.12515	2.8
341.11304	13.8
345.14362	2.1
349.10220	0.6
349.13885	1.3
355.12897	3.8
359.12390	3.0
363.08572	0.5
373.13928	14.2
374.14139	0.6
391.07614	0.8
391.14981	17.9
392.15054	0.6
409.16003	100.0
410.11264	0.7
410.16229	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	409.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.9
56.74686	5.5
57.03426	45.0
59.07735	4.9
61.02915	7.9
66.83599	4.8
69.03425	63.0
69.49399	6.3
71.01331	5.4
71.60612	8.0
73.02915	100.0
79.05481	9.9
81.03400	18.6
81.07056	7.3
83.04953	9.9
85.02900	84.3
87.04472	6.4
91.05471	10.5
93.07005	9.2
95.01320	82.4
95.04961	11.3
95.08617	10.3
97.02881	80.8
102.47478	6.8
105.07011	8.3
107.04961	17.6
107.08552	6.5
108.72904	4.9
109.02869	9.7
109.10146	8.2
113.02368	33.3
115.03915	54.1
117.07037	6.4
123.11701	5.7
125.02325	11.9
127.03931	25.5
131.03412	22.6
131.04926	11.5
131.08540	7.9
137.02373	7.9
137.05949	8.8
145.04921	7.0
145.10071	9.3
147.04344	5.1
147.08040	12.1
147.11809	5.2
157.10158	6.5
159.08028	12.3
159.11632	6.3
161.06001	12.6
170.42564	5.6
171.08005	8.3
181.04970	8.9
183.06499	6.3
185.09575	7.7
195.78503	5.7
201.09142	7.2
213.09113	25.2
213.16893	5.2
229.08597	37.3
231.10077	17.9
241.08496	8.0
257.04443	5.3
259.09668	16.1
285.08591	10.4
342.91150	5.9
377.09814	22.4
409.08835	9.4
409.17905	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	409.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
56.96555	17.3
57.03420	7.1
58.99860	1.9
61.02906	3.1
64.82157	1.6
69.03425	11.1
69.71185	11.1
69.71595	3.1
71.04992	3.0
72.08148	2.0
73.02912	11.8
77.00894	2.3
81.03387	4.3
83.06084	2.3
84.08133	7.6
84.96015	4.0
85.02894	20.3
86.09711	2.1
87.04459	3.0
91.03906	1.8
97.02882	14.1
98.97579	30.8
99.04445	2.6
101.00845	9.6
101.06068	2.8
105.00402	2.2
109.02856	2.5
110.97576	6.0
111.02026	1.8
112.99137	5.4
113.00848	4.4
113.03493	1.7
115.02422	2.5
115.03915	2.7
115.22913	1.6
116.07118	2.4
116.98611	21.6
119.01910	38.6
121.03504	2.2
122.06012	1.7
127.00723	2.2
127.02422	4.4
127.03923	6.1
128.98624	12.0
130.08661	3.4
130.12329	2.0
131.00215	14.1
131.01894	29.3
133.01746	2.1
133.03461	24.5
134.99655	9.6
136.06142	2.2
137.02890	8.8
139.02409	2.6
140.98625	2.1
143.00177	4.4
143.01917	11.1
145.03458	44.0
145.04753	2.4
145.05048	2.2
146.99634	8.1
147.01390	2.3
147.05060	2.5
147.11298	4.4
149.01222	13.6
149.02971	7.1
151.04437	4.5
152.05714	1.9
152.07076	2.4
155.01872	38.7
157.03445	42.9
157.04735	2.2
158.08102	2.9
158.99677	7.6
159.05028	6.7
161.01279	8.4
161.02959	32.2
162.99165	2.9
163.02820	3.9
163.04517	12.3
165.00705	3.6
167.02014	6.9
169.03297	11.7
169.04675	2.5
169.54381	2.1
170.99669	6.4
171.01346	3.2
171.05023	11.9
173.01326	6.0
173.02939	68.8
174.02963	2.9
175.02789	6.5
175.04503	41.4
175.05820	1.4
177.00723	12.1
177.02103	2.2
178.04958	7.7
179.01958	4.2
180.04572	3.8
181.03499	4.5
183.05086	2.1
185.01363	3.1
185.02948	33.2
187.02820	5.5
187.04532	27.5
188.04733	2.3
188.54996	3.1
189.00723	7.4
189.02370	2.5
189.06082	6.4
191.02222	6.2
191.03996	4.1
193.03673	8.0
196.04553	2.2
197.02968	12.1
199.02811	3.4
199.04520	12.6
201.00610	4.1
201.06055	5.0
203.02341	2.8
203.04001	14.2
205.03810	8.7
205.05394	3.7
206.02814	2.7
209.02986	7.3
211.04524	12.3
215.03978	12.5
217.03769	3.7
217.05653	3.4
219.01787	17.5
219.07043	2.0
221.03224	3.1
221.05125	15.4
223.04852	11.3
227.04033	5.6
229.05753	2.9
231.07115	4.4
233.03165	3.6
235.06659	15.5
237.02798	43.1
238.03073	2.5
239.04172	2.5
241.05524	2.5
245.05003	10.2
247.04831	4.3
247.07115	2.3
247.16556	6.0
250.07077	7.6
251.04402	5.6
253.07735	14.2
254.07887	2.4
255.03799	3.9
257.05200	7.0
258.22345	2.1
259.06735	14.0
260.04413	2.1
260.57217	3.1
261.08231	3.1
265.05869	3.4
269.05396	3.3
277.07703	48.9
279.03995	4.9
279.09225	5.0
281.05322	4.4
289.02847	3.0
289.07657	59.0
290.07703	5.4
291.09229	29.1
293.05325	4.1
295.06973	5.9
301.07880	3.0
305.10910	4.0
307.07053	4.2
313.07690	7.2
319.08618	9.0
321.10217	6.7
331.08917	14.9
337.08133	6.2
349.09863	100.0
350.10022	7.0
367.11008	30.0
409.11697	30.9
409.21698	3.0
409.63052	5.0
410.11200	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.1
55.01873	0.9
55.05504	3.4
57.03416	1.2
57.07070	1.6
59.04997	0.9
61.02900	1.0
64.39207	0.8
67.05494	5.9
69.03416	3.0
69.07065	9.7
70.07346	0.7
70.67645	2.4
71.04986	5.9
79.05481	3.1
81.07062	8.4
83.04987	1.1
83.08618	5.9
85.02910	6.3
85.06527	2.0
91.05466	3.0
93.07027	9.5
95.04962	2.0
95.08608	15.9
97.02872	2.9
97.06517	9.7
99.04454	2.7
99.08073	1.0
103.05436	2.1
105.07028	5.4
107.08591	12.7
109.06506	5.0
109.10149	19.6
110.06044	1.0
111.08064	2.0
111.11740	1.8
115.07559	5.6
119.08567	14.8
121.10136	6.9
122.06052	1.0
123.08077	3.8
123.11701	11.1
125.09596	1.0
127.03889	1.1
127.11164	2.9
131.04898	1.9
133.10126	25.9
135.11687	24.4
137.05989	0.9
137.09633	4.0
137.13271	1.0
145.10147	0.8
147.11678	6.4
149.05948	1.4
149.13246	12.2
150.13538	1.1
153.12740	3.4
155.10693	1.1
157.10101	1.2
165.12762	3.5
168.12376	1.0
175.14818	46.6
176.15164	2.1
177.16388	3.3
193.15871	42.4
211.16922	100.0
212.17245	3.9
229.14334	18.9
230.14838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39986	0.4
53.03966	0.7
53.22302	0.6
55.01857	1.9
55.05508	3.5
57.03426	2.2
60.51607	0.5
61.02908	1.9
67.05165	0.7
67.05500	9.6
69.03431	3.1
69.07066	6.7
69.42839	5.0
69.94543	0.5
71.04974	2.0
73.02889	1.0
79.05485	4.5
80.90948	0.5
81.03407	1.0
81.07052	34.9
83.04966	2.2
83.08614	4.7
85.02416	0.9
85.02899	13.1
85.06534	2.2
87.04463	0.8
91.03965	0.6
91.05475	8.3
93.07032	4.6
95.08605	6.1
97.02887	5.3
97.06520	2.6
97.10169	0.7
98.21461	1.1
99.04448	0.9
99.08080	1.9
103.78068	0.6
105.07024	16.5
107.08593	5.0
109.02859	1.0
109.06541	2.8
113.06039	0.9
119.08575	14.3
121.09322	0.4
121.10136	11.8
123.08061	1.5
123.11697	21.0
125.09629	0.5
127.03891	2.3
127.07543	3.3
133.10112	2.1
137.13220	0.8
141.09070	0.6
145.04953	3.1
147.11678	54.9
148.11960	1.7
157.10146	1.2
165.12747	38.3
166.13089	1.1
175.11229	1.3
180.08658	3.5
183.13805	12.2
193.12247	5.5
211.13269	7.9
229.14339	100.0
230.14684	2.1
232.76427	0.5
246.16977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91882	2.6
55.01880	3.8
55.05497	11.6
57.07082	3.6
67.05501	18.5
69.03413	4.9
69.07050	11.3
69.68810	10.1
69.69249	9.6
70.06596	3.3
71.04976	2.5
79.05471	4.2
81.07040	15.4
83.04958	13.9
83.08638	4.7
85.02882	3.2
86.09698	9.4
93.07021	7.2
95.08600	55.4
97.64073	2.6
98.97590	3.3
99.04436	4.5
105.07036	4.2
107.08604	6.0
109.06497	2.8
109.10145	21.1
111.07990	3.1
119.08543	19.3
121.10107	4.5
123.08032	4.7
123.11688	7.6
133.10132	15.5
135.11673	7.9
137.05980	3.8
137.09602	99.6
160.07561	8.5
175.14809	40.2
193.15874	100.0
197.11700	6.1
211.16866	3.6
237.74153	2.7
243.07703	6.3
267.07657	3.2
285.08746	9.8
289.08188	5.5
297.08557	4.1
303.09872	3.2
307.09512	3.2
313.08148	9.9
315.09714	4.4
325.07074	5.8
331.09222	18.4
333.10742	4.9
337.06915	3.6
346.08008	3.0
349.10278	16.6
359.08649	4.0
365.05600	3.1
377.09848	8.4
391.07535	3.9
391.11707	6.4
408.07620	4.6
409.08832	8.3
409.13013	7.1
409.18027	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.8
55.05498	2.4
56.96557	1.2
57.03443	1.2
57.07070	1.3
61.02918	0.9
65.03942	1.4
67.05506	2.8
68.99791	1.1
69.03427	3.1
69.07065	6.0
70.06579	1.4
71.04981	1.8
71.35529	1.5
73.02924	1.3
74.06076	1.4
79.05498	3.6
81.03426	1.1
81.07048	5.3
81.50287	0.8
83.01373	0.7
83.04980	1.5
85.02905	7.3
85.06551	2.7
86.09691	2.0
91.05479	8.3
93.03373	2.1
93.07039	12.2
95.04964	4.1
95.08587	3.9
97.02877	2.9
98.97581	9.3
99.04472	1.2
103.05492	1.2
105.03399	1.1
105.07024	8.0
107.04952	2.9
107.08586	6.8
109.02922	1.1
109.06496	6.1
109.10156	3.5
111.04448	1.8
113.06008	1.0
115.05460	1.0
116.98611	6.3
119.04921	5.9
119.08576	5.0
120.08936	0.9
121.02863	31.0
121.06488	2.9
121.10141	2.1
122.05997	0.8
123.08098	2.1
123.11749	3.9
125.09620	1.7
127.03912	1.4
127.07591	1.4
127.77046	0.9
130.53639	0.7
131.04955	1.5
131.08563	3.1
133.06534	1.1
133.10121	31.6
134.99672	3.0
135.04425	2.3
135.11652	0.8
135.61110	0.8
137.05972	2.3
137.09563	1.2
142.08606	2.1
142.31671	0.8
143.04897	0.9
145.02824	5.4
147.04427	2.6
147.11684	9.1
148.12024	1.1
149.06007	1.4
149.09624	1.2
149.13277	1.4
151.03972	0.8
151.07623	1.2
151.11182	23.2
153.09213	1.0
155.06987	5.7
157.10229	0.9
158.99667	4.5
159.04422	2.1
161.05951	1.9
163.03844	1.1
165.01859	1.1
165.12753	1.9
171.04375	2.0
175.03961	1.1
175.11168	4.4
177.00645	5.1
177.02016	1.2
177.05421	1.1
179.03404	2.6
187.05142	1.3
189.01872	1.8
189.05455	2.1
191.03510	1.8
193.04953	1.7
193.12236	18.5
195.02893	7.7
199.03856	2.5
200.04425	2.4
203.03358	7.8
207.02812	4.0
209.15399	2.0
211.13283	66.6
212.13631	1.5
214.08569	2.0
215.08014	1.6
217.04906	7.5
219.01605	1.1
220.03673	0.8
221.04327	4.2
227.03389	1.8
229.12076	1.3
229.14323	17.7
229.17990	1.9
231.02989	1.4
233.09317	0.9
235.05946	1.0
243.07643	2.6
245.04518	3.6
249.03928	1.0
255.02867	1.4
257.09229	1.2
261.08725	1.8
267.06714	1.2
268.07291	2.5
271.07401	1.4
273.03949	1.8
277.08694	1.3
279.06604	2.0
280.07434	1.0
281.08109	1.1
283.05966	2.2
283.12198	1.2
285.08466	3.9
289.08194	4.2
291.06808	0.9
292.07278	3.3
293.08023	3.3
294.05154	4.5
295.05988	28.8
296.06998	2.5
297.07590	4.7
303.09753	1.3
304.11761	1.5
305.08176	2.1
306.08890	4.2
307.06073	16.2
307.09433	2.7
308.06680	4.1
309.07635	7.8
313.08292	6.3
315.09671	2.3
317.08139	1.7
318.09015	0.8
319.06058	2.2
320.06781	9.3
321.07587	18.0
322.08313	1.4
323.05377	1.6
323.09024	2.6
325.07047	39.2
325.13113	2.0
329.07990	2.3
331.09253	8.5
333.07416	7.6
333.10590	1.0
334.08194	6.2
335.09137	23.4
336.06293	2.3
337.06989	11.8
339.04816	1.5
339.08569	9.1
341.07840	1.2
345.07498	10.3
348.05963	1.2
349.07037	16.5
349.10461	4.8
351.08673	2.8
353.10175	1.7
359.08661	2.4
361.07010	1.0
362.07819	2.2
363.08606	32.5
365.06137	0.9
367.07980	2.2
367.14496	1.2
373.07004	5.6
377.09796	3.5
378.07352	1.0
379.08121	3.6
381.09793	0.9
391.08041	75.8
408.19098	1.1
409.09064	100.0
409.18250	14.7
427.16467	3.5
428.16074	1.4
429.14410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01865	0.8
56.96548	0.9
57.03431	0.7
57.07057	0.5
60.04522	0.4
61.02911	0.7
67.05494	0.5
69.03423	2.2
69.07049	1.2
71.04978	0.4
71.59498	0.4
73.02909	1.2
78.04703	0.3
79.05476	0.9
81.03406	1.2
81.07059	0.8
85.02905	4.5
86.09689	0.5
91.05478	0.8
93.07024	0.7
95.04919	0.4
97.02888	2.2
97.06529	0.3
98.97563	1.4
99.04430	0.4
103.05444	0.6
105.07005	1.5
107.04929	0.9
107.08588	0.4
109.02863	0.7
109.06475	0.4
116.98615	1.1
118.50787	0.3
119.08556	1.3
121.06525	1.6
121.10131	0.4
122.06036	0.3
123.04423	2.2
124.05188	1.0
124.07523	0.4
127.03889	1.4
131.08543	0.4
133.06451	0.7
133.10114	0.4
134.99652	0.4
135.04352	0.3
137.05981	0.8
142.08595	0.4
145.04938	0.6
149.05963	2.1
151.03812	0.4
151.07500	0.3
152.04633	0.5
153.05394	0.4
158.02704	0.6
158.99620	0.8
161.05989	0.6
161.13268	1.4
162.13596	0.7
166.06271	0.4
167.07030	100.0
168.07468	1.7
176.03441	0.6
177.00703	1.3
179.07063	0.7
181.08583	2.5
184.09698	0.3
193.08612	3.9
204.06572	0.5
208.09605	0.4
211.09650	17.2
214.08760	0.3
214.58777	0.3
215.08868	0.4
216.97919	0.3
223.09224	0.4
223.59201	0.4
229.10701	14.2
230.11089	0.5
232.59843	0.4
233.26360	0.3
234.98967	0.9
237.02780	0.4
249.02885	0.4
262.10864	0.3
293.09171	0.6
294.09457	0.4
303.05255	0.7
341.65488	0.3
349.05710	0.5
372.16336	0.4
390.17450	0.4
407.67630	1.3
408.12793	1.2
408.17740	1.4
409.11099	1.2
432.02829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33664	1.0
54.26003	1.1
54.45380	0.9
55.01859	2.1
56.05031	1.6
56.96555	1.0
57.03426	2.8
60.04525	1.3
60.28136	0.8
61.02925	1.5
65.03947	0.9
69.03420	11.3
69.07056	2.0
70.05706	2.6
70.06116	2.4
70.06563	1.1
71.04984	1.2
71.08614	1.0
73.02923	1.6
76.03992	1.4
79.05498	1.0
81.03413	2.0
81.07058	2.5
82.06569	1.2
85.02904	9.3
87.04453	3.2
88.07617	1.6
91.05493	1.0
96.08131	6.5
97.02885	4.0
97.06507	4.9
98.06047	1.0
109.02847	2.0
116.98660	1.1
124.07583	13.4
125.05975	6.8
126.09142	1.4
127.03925	2.7
137.05975	17.1
142.08626	100.0
143.07043	1.2
145.02856	3.2
145.04950	1.8
149.05957	1.7
160.09688	19.0
166.08743	1.0
167.07031	9.5
168.06544	2.0
177.05449	4.5
186.07541	1.9
187.75809	0.9
199.03566	2.0
204.58368	0.9
210.11247	14.9
211.09564	5.4
228.12289	4.7
229.10757	2.4
233.02718	2.5
237.02876	1.1
246.13358	60.3
247.13843	1.3
287.97079	1.1
409.07111	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64728	1.6
55.01869	3.5
55.05504	2.3
56.05042	1.8
56.96557	4.5
57.03423	3.6
57.07069	4.1
59.42801	1.9
61.02916	3.5
67.05499	8.3
69.03413	9.2
69.47195	6.9
69.47617	7.6
70.06580	2.6
71.05003	2.4
72.08144	1.8
73.02929	1.9
81.03409	3.1
81.07046	2.5
82.06592	4.9
82.99889	1.7
84.08141	3.6
84.54796	1.7
85.02898	14.9
85.06530	4.8
95.04949	1.7
96.04446	1.9
97.02895	6.0
97.83250	1.5
98.21446	2.9
98.97576	10.0
99.05544	1.8
100.88525	1.5
101.00866	1.7
109.02878	3.6
114.05460	1.7
116.98601	8.5
117.03336	1.5
119.01938	8.3
124.07558	2.2
127.03879	3.9
128.07059	6.5
128.98624	2.8
130.08650	2.2
131.49792	1.6
134.99637	3.8
137.02919	2.3
137.06017	3.9
142.08621	14.0
143.01888	52.4
144.01979	7.4
145.02849	5.1
145.04922	2.8
149.05917	1.5
154.08670	1.8
158.99672	4.5
159.09291	1.6
160.09660	2.8
161.02959	100.0
162.03111	12.8
163.02638	2.9
167.05637	2.5
167.07037	35.5
173.02977	3.5
174.15439	1.5
174.96915	1.9
177.00714	6.4
177.05511	7.1
181.08797	1.6
183.05103	2.8
184.04556	4.9
189.00687	2.1
193.08624	2.1
199.03625	5.3
203.03996	43.0
204.04201	6.5
210.11252	2.9
211.09671	6.9
219.01877	4.0
221.05095	2.9
225.05742	2.9
225.56036	1.7
227.07526	3.9
228.12280	4.5
231.09930	1.8
233.02710	7.1
234.08391	4.9
234.58685	1.9
237.02718	7.7
245.04900	2.5
246.13396	12.5
263.06207	5.6
267.08578	2.4
267.58762	4.8
275.58371	2.0
276.11551	2.8
287.09769	31.5
287.12985	2.3
288.09943	4.6
289.05948	1.8
289.09595	2.0
305.06696	3.0
305.10727	5.9
307.06909	2.4
309.08652	1.9
347.11841	62.6
348.12006	13.6
349.08124	2.6
377.12985	2.0
407.14114	2.6
408.16135	7.5
408.20569	1.5
409.07227	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	11.4
71.60137	1.9
71.60495	0.9
71.95272	1.3
79.05509	0.8
98.97585	10.9
116.98614	20.5
117.98955	1.0
119.01936	10.0
120.02006	1.9
121.01661	2.4
134.99648	29.1
137.02957	7.2
138.03056	1.6
139.02678	1.3
142.03496	0.9
153.00706	7.8
158.01329	1.0
158.99933	1.0
168.25198	1.0
177.00941	18.4
178.01028	1.7
179.00734	5.7
201.00922	1.1
215.92876	1.0
217.04056	2.7
219.01996	22.4
219.03928	1.8
220.02046	4.5
221.01707	4.9
225.01010	2.8
234.99973	1.1
242.03668	1.2
243.01935	4.9
249.30809	1.2
256.96567	3.0
257.96680	1.4
258.96405	1.6
258.99939	3.4
259.96567	1.3
260.00076	0.9
261.03052	100.0
262.03137	15.2
262.99872	1.9
263.02826	17.8
264.03088	2.7
265.02649	1.4
274.97607	3.7
276.08392	1.0
276.98218	1.0
277.00830	6.5
278.01056	1.5
279.01120	2.1
281.00687	2.3
283.00021	3.8
284.00220	2.4
284.04593	7.2
284.96960	0.9
284.99734	4.6
285.04886	1.5
286.00037	1.1
286.99756	4.7
288.92105	1.5
290.95370	1.1
292.98596	1.4
301.01099	7.4
302.01218	3.8
303.00793	8.7
304.01004	2.6
305.00690	12.4
306.93179	1.0
345.94839	1.4
346.45172	1.2
354.93588	2.0
355.94336	1.0
356.93427	2.0
357.93512	1.9
361.28156	1.6
367.02209	1.9
370.91397	1.0
372.96304	18.3
373.46198	11.8
373.96036	6.6
374.45950	3.5
374.90759	1.3
378.90414	1.1
379.40259	1.8
381.43237	2.8
381.93143	4.4
381.97424	7.7
382.46921	5.9
382.96518	3.3
384.04590	1.3
384.47238	4.8
384.96567	6.6
385.03070	11.2
385.46942	1.9
390.41183	1.3
390.90292	1.7
391.40771	3.0
391.90729	1.4
392.93793	1.2
394.91522	2.2
397.94763	1.3
398.94403	3.1
398.98621	1.4
399.98160	1.5
400.97696	2.8
401.97559	2.2
402.91483	1.9
402.97409	14.6
403.04208	17.2
404.04605	1.4
411.90814	1.4
412.92255	1.3
426.05826	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05509	9.5
55.47476	1.2
57.07081	6.6
67.05502	16.6
69.07067	38.7
69.39542	13.2
79.05481	10.5
81.07053	66.1
83.08624	11.7
83.39083	1.2
89.06026	1.2
91.05455	7.3
93.07034	19.1
95.04943	1.4
95.08607	46.4
97.10155	3.9
105.07024	21.7
107.08589	28.4
109.10154	36.3
111.11722	3.6
117.07014	3.8
119.08578	22.4
121.10136	23.9
123.11714	20.4
129.06926	1.9
131.08562	9.5
133.10118	15.5
135.11693	16.6
137.13228	9.4
142.07814	1.4
143.08565	3.5
145.10112	13.6
147.11676	18.2
149.13277	13.0
150.75488	1.5
151.14848	2.1
157.10092	8.6
159.11690	20.9
161.13235	12.2
163.14848	8.1
169.10211	2.4
171.11623	8.1
173.13266	13.3
175.14813	8.4
177.16396	8.2
183.11786	1.9
185.13205	7.1
187.14822	13.3
189.16380	10.2
191.17961	4.6
197.13271	1.7
197.23035	1.4
199.14839	5.6
201.16374	10.4
203.17982	5.9
205.19498	3.4
211.14853	1.9
213.16365	7.1
215.17946	9.9
217.19525	4.9
225.16417	1.9
227.17923	8.4
229.19569	9.3
231.21077	2.9
239.17961	1.6
241.19542	4.2
243.21140	3.9
253.19479	1.6
255.21080	5.4
257.22629	7.0
259.24384	1.8
269.22696	5.3
271.24338	1.9
283.24045	6.0
285.25739	2.1
295.24036	1.5
297.25784	4.7
299.27414	2.2
311.27240	3.2
313.28958	1.9
323.27466	3.2
325.28864	4.8
337.28912	4.2
351.30460	6.0
360.61487	1.4
365.32126	3.2
407.36731	100.0
408.37033	6.2
424.07480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03935	1.4
55.05513	7.6
57.07060	5.3
66.53945	1.2
67.05502	13.4
69.06712	2.2
69.07061	27.0
71.40582	2.7
79.05483	5.3
81.07051	41.8
83.08620	11.0
91.05467	6.9
93.07033	19.0
95.04980	1.6
95.08600	42.9
97.10159	4.8
105.07016	15.6
107.08585	19.9
109.10151	32.8
111.11674	2.4
117.07026	2.4
119.08569	17.8
121.10136	21.7
123.11703	16.8
131.08582	6.4
133.10114	12.2
135.11684	18.1
137.13263	9.7
143.08539	3.9
145.10094	11.8
147.11682	15.7
149.13271	16.1
151.14882	1.8
156.09352	1.3
157.10127	7.1
159.11702	13.9
161.13229	11.1
163.14775	5.8
169.10150	1.4
171.11690	7.1
173.13269	10.5
175.14799	8.4
177.16351	9.9
183.11635	1.6
185.13228	5.1
187.14771	9.6
189.16400	8.4
191.17952	4.1
197.13148	1.6
199.14807	5.8
201.16403	7.0
203.17973	6.6
205.19493	2.3
213.16325	6.7
215.17902	6.9
217.19469	4.8
222.60555	1.2
225.16614	1.7
227.17931	6.9
229.19481	8.5
231.21220	3.0
239.18021	1.4
241.19577	3.2
243.21030	3.4
245.22687	1.8
255.21135	4.2
257.22675	6.5
259.24158	2.5
269.22778	6.3
271.24216	3.1
283.24200	5.0
285.25735	2.7
295.24142	2.1
297.25827	2.4
299.27164	1.4
311.27441	2.1
323.27258	2.2
325.28851	7.4
337.28876	3.3
351.30469	4.2
365.31967	1.9
407.36713	100.0
408.37006	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	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.2
57.07065	7.9
60.08726	3.1
63.65938	2.8
67.05502	26.3
68.95887	2.5
69.06709	3.6
69.07060	28.5
70.06213	13.3
79.05489	12.1
81.07050	51.1
81.44331	2.5
83.08612	30.2
85.32167	2.8
91.05481	12.4
93.07033	25.7
95.08591	59.0
97.10157	7.0
98.21380	5.5
105.07011	22.7
107.08580	33.8
109.10142	51.9
111.11741	3.8
117.06994	3.5
119.08553	34.3
121.10120	39.0
123.11707	21.9
131.08572	10.8
133.10104	20.5
135.11676	23.2
137.13240	12.8
143.08559	7.8
145.10104	20.8
147.11650	22.1
149.13254	21.5
151.14915	3.3
156.09372	6.5
157.10144	11.9
158.10918	3.7
159.11690	25.1
161.13237	17.4
163.14807	9.6
169.10066	3.2
171.11641	14.4
173.13222	14.8
175.14822	11.1
177.16362	5.4
185.13268	10.1
185.45012	2.9
187.14856	13.2
189.16362	7.7
191.17889	4.2
199.14827	9.6
201.16365	8.7
203.17952	9.4
213.16377	9.0
215.17967	7.1
217.19514	5.1
221.22015	3.4
225.16341	3.9
227.18037	6.0
229.19452	5.0
231.21333	3.3
231.24313	3.0
255.21068	3.8
257.22623	8.4
267.21036	3.0
269.22556	6.3
271.23798	5.6
283.24203	6.1
283.67432	3.2
311.27225	3.2
351.30432	6.2
407.36707	100.0
408.36945	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	407.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01859	3.2
55.05505	18.3
57.03412	6.9
57.07074	5.5
59.04993	2.6
67.05501	31.9
69.03425	31.1
69.07057	22.4
71.04975	9.0
71.58490	3.9
71.58850	3.5
79.05488	15.8
81.03402	7.7
81.07046	54.7
83.04976	30.4
83.08604	8.6
84.08168	2.8
85.02876	11.0
85.06516	16.8
86.09702	5.2
91.05460	13.4
93.07032	43.0
94.07374	3.6
95.04958	29.8
95.08139	2.5
95.08601	26.0
96.05286	9.2
97.02853	3.5
97.06494	8.3
99.04426	11.0
99.08070	4.4
105.07031	19.2
107.04942	7.8
107.08595	54.2
108.08922	4.6
109.06485	14.4
109.10145	100.0
111.08071	10.1
113.05946	4.1
119.08559	14.3
120.08108	22.8
121.06490	3.6
121.10137	23.1
122.10503	3.5
123.08038	10.0
123.11005	2.5
123.11708	23.3
125.06063	3.4
125.09618	83.9
125.10541	5.3
126.42849	2.6
127.03949	4.5
127.07484	3.9
127.11142	8.1
131.08536	9.0
133.10115	9.8
135.08041	12.1
135.11656	18.3
137.05946	9.3
137.09572	14.3
137.13297	3.1
139.11182	6.9
141.09097	17.5
143.10725	3.1
145.04892	3.1
145.10130	4.0
147.07983	6.5
147.11694	14.3
149.09592	6.9
151.11165	9.8
153.09084	31.9
153.12727	13.0
154.09428	6.5
157.07533	4.6
159.11639	3.8
161.09554	3.4
161.13293	3.6
163.07535	3.8
163.11075	6.0
165.09070	21.9
165.12733	6.1
166.00670	3.1
167.06984	6.3
167.10655	6.7
169.12234	19.7
171.10156	73.1
171.13785	31.7
173.13243	4.7
174.13625	4.4
175.14810	3.6
181.04951	3.2
183.10158	19.6
183.13744	10.6
191.08139	20.2
191.10614	2.9
191.14285	5.1
191.18105	3.2
192.14592	5.0
201.11208	6.9
201.14816	25.1
208.15634	3.1
209.15262	14.4
210.15660	28.3
214.08572	4.3
227.08255	3.3
227.16327	6.2
228.16724	8.3
245.17479	5.8
259.10883	3.6
259.43350	3.4
276.13422	4.0
297.08640	3.8
299.20197	4.1
307.12723	9.7
317.20898	8.9
325.13986	13.8
335.21964	14.9
339.09631	5.9
353.23029	8.2
357.10645	7.8
375.11816	7.6
389.13184	10.3
407.07632	6.7
407.13730	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
67.05498	0.4
69.07046	0.3
69.98420	1.1
79.05492	0.4
81.07042	0.9
85.68291	0.3
91.05466	0.5
93.07028	0.9
95.08606	0.7
97.02911	0.3
98.21466	0.4
105.07006	0.9
107.04876	0.3
107.08570	0.7
109.10129	0.5
119.08554	0.9
121.10138	0.3
133.10088	0.3
145.10115	0.5
173.13403	0.3
207.11911	0.3
217.19537	0.3
259.08459	0.3
321.16693	3.5
333.20270	0.4
349.16818	0.4
387.65021	0.3
407.24014	100.0
408.24347	3.0
430.54404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05449	1.0
55.05494	2.9
57.03417	4.4
57.07068	7.2
58.67353	1.5
61.02371	1.1
62.63285	1.1
67.05483	5.2
69.07038	3.9
71.08603	4.9
79.05486	2.7
81.07037	9.0
83.08606	2.1
85.10167	3.8
91.05462	2.0
93.07029	3.2
95.08605	10.4
97.10134	1.3
105.07018	3.9
107.08563	2.4
109.10147	6.3
112.65196	1.2
113.00008	95.7
114.08742	1.2
119.08578	3.4
121.10126	4.0
123.11678	2.1
131.01015	2.0
133.10133	4.7
135.11670	2.3
145.10066	1.6
147.11673	2.4
149.13245	1.4
154.02618	1.8
159.11710	1.3
164.87250	1.1
169.02596	100.0
179.03302	1.3
229.52206	1.1
239.23669	1.3
250.09822	1.6
407.32376	2.3
407.36975	3.5
407.41449	1.3
432.49802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1526
Annotation	Asperlicin D
Peak:m/z	Relative Intensity
69.03421	0.4
70.04260	0.4
70.04622	1.3
70.06584	0.5
72.08142	0.3
73.02925	0.5
81.54233	0.3
84.57322	0.2
84.96019	0.2
85.02897	1.2
86.09705	0.4
97.02877	0.4
98.97585	0.4
101.00900	0.2
109.02876	0.3
112.07618	0.6
113.02457	0.2
116.98596	0.3
119.01915	0.5
127.03879	0.4
131.01884	0.3
137.05963	0.4
142.08591	0.4
143.01923	0.5
145.04984	0.3
155.01884	0.3
161.02992	0.8
173.06682	0.3
185.06613	0.4
203.07582	0.3
214.10698	0.5
217.91980	0.3
219.01790	0.3
221.04994	0.5
237.02824	0.4
252.69957	0.2
275.11044	4.8
289.11334	0.5
293.10858	1.2
295.57629	0.3
358.67081	0.3
378.07416	0.2
407.15231	100.0
408.15622	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60160	0.8
52.02995	0.7
52.69171	0.8
53.14257	0.8
55.01621	1.7
55.01865	23.2
55.05498	1.4
57.07055	0.7
63.04475	0.8
63.74802	0.9
67.05511	1.0
69.03417	1.6
69.07061	1.0
71.58492	1.7
72.04504	8.9
72.47347	0.8
80.05016	1.9
81.07050	2.4
83.04998	1.2
84.04501	47.7
85.02913	1.5
88.65198	0.9
90.05562	5.3
91.05479	2.9
93.07050	2.1
95.04965	1.2
95.08595	2.1
96.04476	6.9
103.05475	1.1
105.06998	1.5
107.04942	1.5
107.08617	1.2
108.04478	2.4
109.10162	1.3
110.06028	4.5
117.06992	1.9
119.04942	2.0
119.08579	1.3
121.10142	1.0
126.05512	100.0
128.06197	1.3
133.10109	1.3
135.11646	1.1
136.03914	2.3
137.00511	1.0
137.05981	2.8
137.07082	0.9
138.05486	2.6
140.01680	0.9
142.03227	7.7
144.06554	71.3
145.06447	1.2
147.04370	2.5
148.05185	3.7
149.05969	2.3
151.02145	2.6
153.03702	1.3
156.06566	3.9
159.11572	0.9
161.04231	4.7
163.02138	2.0
165.00075	0.8
165.06787	1.0
166.00833	10.6
167.07010	4.0
179.01646	2.1
181.03279	1.9
181.08505	1.2
189.03690	11.6
193.03247	1.0
207.04758	20.2
207.07776	2.9
208.05133	0.8
211.07079	1.1
217.03098	0.9
217.08617	2.3
219.04703	2.1
223.07167	2.2
224.07236	0.9
225.08824	7.2
235.04185	5.4
241.06375	3.1
257.05917	9.8
259.07419	1.9
290.08432	40.7
291.08978	1.1
306.08145	5.5
318.07959	30.2
319.08325	1.2
324.08957	10.4
361.02478	2.4
379.03265	2.1
384.03366	0.8
389.11633	2.9
407.12628	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	407.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01866	5.1
56.96561	37.7
57.03435	49.9
58.03764	2.9
61.02922	34.2
69.03073	2.4
69.03424	32.7
70.06564	3.0
70.93352	6.1
71.01326	2.5
71.04984	6.3
73.02913	100.0
74.03234	3.2
75.04450	2.0
76.85198	2.4
81.03413	15.4
81.53259	1.8
83.04964	2.1
84.96023	5.7
85.02900	64.0
85.18504	2.1
86.03221	3.6
87.04464	5.6
87.40476	2.0
88.99153	1.9
89.03937	3.2
91.03944	3.4
91.05442	2.2
92.02284	2.1
97.02892	35.9
98.97577	47.4
99.04455	6.1
100.99133	2.6
101.02367	1.9
109.02876	12.0
110.01263	3.1
110.03252	1.9
110.97559	6.9
112.07579	2.4
112.99133	4.1
113.07113	2.7
115.03954	10.9
115.97822	2.4
116.98611	34.8
117.03342	2.8
117.32840	1.8
119.01878	21.0
121.01592	2.6
127.03938	15.6
128.02312	6.4
128.98621	17.4
131.00172	14.4
131.01869	11.5
133.03458	8.0
134.99628	16.1
135.03098	4.1
137.02898	3.5
137.05946	6.0
138.42598	2.1
140.02357	3.7
142.08649	3.1
143.00180	4.7
143.01888	7.4
144.98045	1.9
145.01689	4.6
145.02847	11.5
145.04958	8.5
146.99649	21.7
147.01358	3.7
147.03186	3.6
147.04306	2.6
149.01201	15.8
149.02892	5.7
149.05774	2.2
153.00595	3.1
155.01848	7.2
155.02927	3.4
156.03600	4.4
157.01604	2.6
157.03482	4.4
158.01199	3.3
158.03409	2.2
158.99635	25.5
159.05000	4.5
159.99898	2.3
160.03845	2.5
161.01257	13.4
161.02956	17.0
161.04239	3.1
162.03589	3.3
162.99158	3.9
163.02626	3.9
163.04410	2.1
165.00720	6.3
169.54556	2.5
170.99620	9.6
171.05075	3.9
171.11275	4.0
172.97580	2.2
173.01253	9.0
173.02953	23.9
174.01822	2.4
174.03238	2.5
175.02777	15.1
175.04500	6.9
176.03287	5.9
177.00710	24.5
177.02327	5.7
177.05482	25.0
178.04826	16.1
179.02287	2.9
182.01367	2.0
182.03316	4.7
184.03061	3.1
184.97682	2.5
185.03952	2.9
185.06519	1.8
186.04515	3.4
186.99048	3.5
187.04497	6.6
189.00737	26.1
189.04236	7.0
189.05978	2.5
190.00981	2.2
190.98561	3.0
191.02269	11.1
191.03859	4.0
192.02850	3.6
192.04601	4.9
193.00200	3.2
193.02095	2.5
193.03763	10.5
193.05362	2.6
194.04408	10.9
198.04706	7.8
201.00757	10.7
201.02312	2.3
202.98671	4.8
203.02292	3.4
203.04036	5.7
204.02763	4.2
205.00227	11.6
205.05565	2.2
207.01732	7.3
207.05255	5.9
209.03278	3.5
213.03322	6.7
215.03995	3.1
216.05743	8.1
217.00214	3.3
217.05545	2.2
219.01750	29.6
219.07193	3.2
220.04083	3.4
220.99666	3.8
221.05118	5.8
222.03952	4.5
223.01221	5.8
227.04146	2.3
228.05745	7.3
228.55907	4.9
229.04587	6.7
229.06575	4.2
230.98105	4.0
231.01721	6.8
231.07014	2.5
233.03152	4.6
233.05107	5.2
235.06552	7.1
235.56544	3.0
237.02827	31.7
237.06384	2.7
238.03116	2.1
243.06244	3.5
244.06999	2.1
245.05061	7.9
245.14978	15.3
247.01186	4.1
248.99156	3.8
249.02504	4.8
249.04875	10.0
250.07053	11.3
250.57242	9.0
251.04474	10.7
255.03903	4.1
256.05203	3.3
257.05804	3.7
257.56006	2.0
258.06848	6.6
259.06635	3.8
260.04315	2.7
261.02728	4.8
263.00671	5.9
266.06421	5.5
266.56760	4.9
269.05408	19.2
271.05823	6.8
272.06613	4.0
275.06137	6.9
277.07834	3.7
279.05490	46.2
279.55606	7.4
286.06256	17.8
287.06512	6.8
288.06024	8.6
291.03793	10.6
293.05240	4.0
293.10599	2.4
294.05881	3.2
295.06351	28.3
295.57010	6.1
299.56747	2.8
301.06802	29.5
301.11334	5.1
301.56918	3.0
305.01874	3.0
307.08884	2.6
309.04803	2.9
310.09464	2.8
311.06430	3.3
311.09927	4.9
315.02194	2.9
316.08136	2.3
319.12396	3.6
321.04639	3.0
321.10229	5.9
323.06610	3.0
325.59741	6.2
332.08615	29.8
332.58725	15.4
337.07959	3.7
347.03143	2.8
347.08002	4.7
347.11938	4.0
351.05988	5.5
365.03491	2.6
365.07690	2.6
367.05441	3.0
406.62289	3.4
407.09280	7.8
407.14368	12.0
407.20212	15.4
407.63239	2.2
425.05829	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01868	0.7
55.05255	0.7
55.05506	9.4
56.22603	0.3
57.03432	1.4
57.07056	0.5
59.05003	0.6
61.02919	1.0
65.03962	0.5
67.05492	2.0
69.03418	2.9
69.07041	1.9
71.04987	3.4
71.63229	0.7
79.05489	0.9
79.66443	0.3
81.03403	1.4
81.07043	2.0
83.04977	8.2
83.08618	8.9
85.02901	5.1
85.06541	1.2
86.09708	0.5
91.03918	0.5
91.05466	1.5
93.07024	2.4
95.04962	56.1
95.08600	2.4
96.05270	0.6
97.02885	1.8
97.06531	1.8
97.10162	1.8
99.04445	14.2
99.08110	0.9
101.87035	0.4
105.07027	1.4
106.05243	0.4
107.04916	0.6
107.08588	5.3
109.02877	0.9
109.06518	2.0
109.10158	5.0
111.08077	2.4
112.14344	0.4
115.07516	0.7
119.04960	0.6
119.08569	0.8
121.10159	3.0
123.04452	0.4
123.11664	2.4
125.09605	2.6
127.03891	1.0
128.75320	0.4
130.58578	0.4
131.08571	1.3
133.10123	5.0
135.08041	1.0
137.05984	2.7
139.11145	1.0
145.04907	0.8
145.10086	0.6
147.11641	1.8
149.13226	2.3
151.07542	1.1
151.09949	0.6
151.11172	14.2
153.09096	20.6
163.14783	0.5
167.07005	0.9
167.14311	15.8
173.13277	3.0
175.14838	0.5
181.08531	0.8
191.14302	4.3
193.15891	0.8
209.15349	100.0
210.15697	2.9
227.12830	0.7
227.16415	5.1
243.12277	0.4
286.06943	0.8
308.45416	0.4
316.07892	0.7
328.10187	0.6
346.10968	0.8
370.08948	1.5
371.20615	1.4
374.10330	0.5
406.11102	2.3
406.16257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.3
57.03433	3.4
61.02924	2.4
69.03423	6.6
71.04984	1.0
71.58051	1.3
71.58413	1.8
72.08140	1.2
73.02925	5.7
74.59175	0.9
74.97597	1.2
81.03413	3.8
84.08136	1.6
84.96021	5.1
85.02906	11.8
85.90897	1.0
87.04444	1.6
91.03959	1.3
93.77512	0.9
97.02888	9.0
98.97581	34.1
99.04430	1.9
101.00915	1.1
102.97008	1.2
109.02874	2.8
110.97562	8.6
112.05097	1.4
112.99131	2.7
113.02336	1.7
116.98613	29.8
119.01915	4.4
127.03933	2.6
128.98599	19.4
131.00171	6.5
131.01920	1.8
133.03508	2.0
134.99637	12.9
137.02966	1.1
137.05978	1.2
139.97746	1.0
140.00211	1.5
140.98604	1.7
143.00175	4.2
143.01895	2.9
145.01701	1.2
145.02763	1.1
145.03456	1.7
145.05051	1.8
146.99646	20.2
149.01219	5.8
153.00763	1.9
155.01869	2.4
158.99654	14.7
161.01225	10.9
161.02753	5.2
162.99179	2.3
163.02841	1.2
165.00735	2.8
169.99940	1.1
170.01369	1.3
170.99646	5.5
171.05043	2.0
171.11305	5.6
173.01263	3.8
173.02930	2.4
174.07564	1.1
174.99100	2.3
175.02795	4.3
177.00711	29.4
177.02132	1.5
177.05545	3.4
178.04918	5.1
179.02274	4.3
185.01288	2.5
185.02898	1.2
185.06577	1.2
186.99168	1.4
187.00856	1.4
187.02849	1.5
189.00722	9.3
189.02405	1.7
189.04295	1.4
189.05904	1.4
190.98589	1.9
191.02242	6.8
193.03854	4.2
195.01775	5.6
200.02402	1.5
201.00668	10.1
201.04366	1.6
203.02254	8.6
203.04022	3.6
203.07431	1.2
205.00188	2.0
207.01666	2.1
212.02338	1.4
213.00722	2.1
215.02174	1.5
217.03880	2.3
219.01744	47.4
219.07181	1.5
221.01494	1.5
221.03125	5.1
221.05109	4.1
225.00699	2.5
231.01746	2.4
233.03200	1.4
235.01123	1.6
237.02805	100.0
238.03110	1.8
242.03476	1.4
243.01767	2.4
245.03151	2.2
245.05186	2.4
245.14963	15.3
255.01743	2.4
255.03893	8.4
259.06747	1.4
260.04507	3.7
261.02771	8.8
263.04364	2.5
264.06760	1.3
269.05676	1.3
272.06754	2.0
273.02832	5.6
275.04388	4.2
275.09830	1.2
279.03879	14.8
291.03745	7.3
293.05444	3.7
295.06998	2.1
301.11252	2.1
303.03778	9.4
307.09262	1.3
317.05316	8.4
319.12320	1.5
321.04980	8.1
333.02811	1.4
335.06516	15.1
347.06479	60.3
353.07465	3.3
358.08023	1.5
365.07526	72.0
366.07919	3.3
383.08481	1.1
388.09167	7.8
389.08542	1.1
407.08459	2.5
407.20276	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14751	2.5
53.03946	2.7
55.05508	8.2
56.96551	2.7
57.03426	5.8
58.06584	2.0
61.02912	4.7
62.73725	2.0
64.17371	2.8
67.05494	7.9
69.03421	8.7
69.07046	11.3
70.06586	5.9
70.36273	6.9
70.36662	4.9
71.04987	3.5
73.02911	4.8
75.44996	2.0
79.05495	9.7
81.03404	11.0
81.07053	23.6
83.04967	7.3
83.08612	4.2
84.04491	5.2
84.08114	3.1
85.02905	24.3
85.06501	3.0
87.04459	12.0
91.05494	7.9
93.07035	27.4
95.04977	8.7
95.08588	15.7
97.02906	8.5
97.06549	3.2
98.97566	14.7
99.04443	4.2
99.08084	2.5
102.05553	3.5
105.07008	17.8
107.04961	5.5
107.08582	36.8
109.02857	3.3
109.06500	7.0
109.10155	13.3
111.04433	2.7
111.08065	4.9
111.11717	3.9
112.07580	4.1
116.76350	2.2
116.98615	10.7
117.05547	3.3
119.08570	14.9
120.08115	2.8
121.06484	5.5
121.10132	49.6
122.02761	3.3
123.08051	22.2
123.11695	52.1
127.03912	7.9
127.07572	4.1
127.31857	2.5
131.08582	7.6
133.06488	6.2
133.10117	14.9
134.99609	6.3
135.08052	9.8
135.11682	7.9
137.05971	14.0
137.09637	8.8
139.07524	5.1
139.11198	11.6
140.10674	3.5
141.09074	3.4
145.04955	5.9
145.10097	5.7
147.11668	15.7
149.09633	15.1
149.13225	10.7
150.06741	5.3
151.07500	3.9
151.11163	39.9
153.09097	5.1
154.09973	4.3
158.11801	11.2
161.05991	3.6
161.13252	3.2
162.06447	2.8
163.06154	3.5
163.07553	9.3
163.14809	4.9
165.09125	5.6
165.12737	5.9
167.07018	24.5
167.10655	67.0
169.12109	3.1
173.13280	10.2
177.00746	3.7
177.05421	2.7
179.14352	2.9
181.08606	5.6
185.05951	2.8
187.19884	2.2
189.12798	4.5
191.06982	3.0
191.14296	21.3
193.12231	4.8
197.15295	3.2
207.10445	2.5
209.11778	10.2
209.15346	66.1
213.07710	3.7
219.01877	3.9
222.08415	3.6
227.09254	13.1
227.12875	26.4
227.16367	100.0
241.09749	2.4
285.07559	2.8
285.16751	4.4
297.08701	5.0
323.11545	4.8
389.13605	6.7
406.09912	5.6
406.17392	16.1
407.07462	6.6
407.13693	2.9
421.13718	2.9
425.14716	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14751	2.5
53.03946	2.7
55.05508	8.2
56.96551	2.7
57.03426	5.8
58.06584	2.0
61.02912	4.7
62.73725	2.0
64.17371	2.8
67.05494	7.9
69.03421	8.7
69.07046	11.3
70.06586	5.9
70.36273	6.9
70.36662	4.9
71.04987	3.5
73.02911	4.8
75.44996	2.0
79.05495	9.7
81.03404	11.0
81.07053	23.6
83.04967	7.3
83.08612	4.2
84.04491	5.2
84.08114	3.1
85.02905	24.3
85.06501	3.0
87.04459	12.0
91.05494	7.9
93.07035	27.4
95.04977	8.7
95.08588	15.7
97.02906	8.5
97.06549	3.2
98.97566	14.7
99.04443	4.2
99.08084	2.5
102.05553	3.5
105.07008	17.8
107.04961	5.5
107.08582	36.8
109.02857	3.3
109.06500	7.0
109.10155	13.3
111.04433	2.7
111.08065	4.9
111.11717	3.9
112.07580	4.1
116.76350	2.2
116.98615	10.7
117.05547	3.3
119.08570	14.9
120.08115	2.8
121.06484	5.5
121.10132	49.6
122.02761	3.3
123.08051	22.2
123.11695	52.1
127.03912	7.9
127.07572	4.1
127.31857	2.5
131.08582	7.6
133.06488	6.2
133.10117	14.9
134.99609	6.3
135.08052	9.8
135.11682	7.9
137.05971	14.0
137.09637	8.8
139.07524	5.1
139.11198	11.6
140.10674	3.5
141.09074	3.4
145.04955	5.9
145.10097	5.7
147.11668	15.7
149.09633	15.1
149.13225	10.7
150.06741	5.3
151.07500	3.9
151.11163	39.9
153.09097	5.1
154.09973	4.3
158.11801	11.2
161.05991	3.6
161.13252	3.2
162.06447	2.8
163.06154	3.5
163.07553	9.3
163.14809	4.9
165.09125	5.6
165.12737	5.9
167.07018	24.5
167.10655	67.0
169.12109	3.1
173.13280	10.2
177.00746	3.7
177.05421	2.7
179.14352	2.9
181.08606	5.6
185.05951	2.8
187.19884	2.2
189.12798	4.5
191.06982	3.0
191.14296	21.3
193.12231	4.8
197.15295	3.2
207.10445	2.5
209.11778	10.2
209.15346	66.1
213.07710	3.7
219.01877	3.9
222.08415	3.6
227.09254	13.1
227.12875	26.4
227.16367	100.0
241.09749	2.4
285.07559	2.8
285.16751	4.4
297.08701	5.0
323.11545	4.8
389.13605	6.7
406.09912	5.6
406.17392	16.1
407.07462	6.6
407.13693	2.9
421.13718	2.9
425.14716	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86732	0.7
53.87314	0.8
55.01870	1.1
55.05506	1.2
57.03436	1.0
57.07059	1.5
59.04934	0.8
61.02907	1.4
61.53629	0.7
67.05507	7.1
69.03426	2.0
69.07049	2.2
70.89298	2.1
71.04994	6.0
73.02919	0.9
79.05492	5.7
81.03422	1.4
81.07053	1.9
83.04955	2.5
85.02895	12.8
85.06538	49.9
91.05478	4.5
93.07035	5.9
95.04955	3.3
95.08622	0.9
97.02875	3.2
97.06519	1.3
99.04469	0.8
99.08076	2.9
99.89799	0.8
105.07010	4.7
107.04941	4.4
107.08591	8.9
109.06517	1.8
111.04435	6.3
117.07006	1.5
119.08585	7.5
121.06470	4.5
121.10143	6.8
123.04447	0.8
125.05971	2.9
127.03904	2.5
129.06969	2.1
131.08562	28.9
133.10092	2.2
135.11647	2.0
137.05942	1.1
137.09624	2.4
139.07541	0.9
141.05423	1.2
145.10123	11.7
147.08046	2.5
149.05998	1.4
149.09607	24.9
153.05464	1.7
153.09048	1.1
155.06956	0.9
163.07503	1.1
163.11166	11.3
165.09128	6.0
167.07034	14.9
167.10669	16.7
173.09618	2.5
173.13213	1.1
179.10716	1.0
191.10657	32.3
191.14279	1.3
197.11697	1.0
209.08154	4.1
209.11720	50.1
209.15233	2.8
210.12074	1.2
227.09103	7.1
227.12759	100.0
228.13098	4.1
243.63594	0.9
300.26633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05502	2.6
57.03431	1.8
59.33094	1.1
67.05501	3.1
68.82612	1.2
69.03419	2.6
69.07067	5.1
70.75452	2.3
70.75824	2.5
71.04988	7.1
79.05489	9.3
81.03408	2.1
81.07049	4.7
83.04970	3.6
83.08632	1.2
85.02911	4.2
91.05489	7.1
93.07040	10.6
95.04980	2.7
95.08604	4.9
97.06538	1.9
98.97588	3.6
99.04519	1.4
105.07011	10.5
107.04953	5.4
107.08582	17.6
109.06497	2.4
109.10113	1.8
116.98605	1.7
117.07038	2.0
119.08558	6.0
121.02908	1.2
121.06529	9.8
121.10142	14.9
123.08057	2.5
125.06013	2.7
131.08566	61.8
132.08844	1.8
133.10129	3.5
135.08047	2.3
135.11707	2.2
137.09608	1.6
145.10112	14.8
147.11679	3.9
149.05939	1.3
149.09618	24.2
151.04134	1.2
153.05453	4.3
161.13426	1.3
163.11162	6.1
163.14754	2.9
165.09053	2.8
165.12769	1.3
167.07069	2.8
173.13216	6.2
179.03992	1.1
188.03671	1.3
189.12793	1.8
191.10660	20.9
191.14302	8.8
198.87608	1.1
201.89912	1.5
209.11726	100.0
209.15274	4.8
210.12086	3.9
213.07658	1.4
217.58357	1.2
227.12762	1.6
227.16441	1.9
241.09723	1.5
265.10004	1.5
297.08801	2.2
302.06210	1.2
339.09677	2.0
389.13403	7.4
407.07645	1.6
407.14334	1.9
421.14075	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14336	0.6
51.78695	0.8
53.85203	0.6
61.02916	0.9
69.03407	0.9
70.64773	2.4
71.05006	0.9
71.57124	0.6
79.05488	2.6
81.03404	1.0
85.02888	6.7
91.05459	1.7
93.07032	2.2
97.02869	1.4
99.04424	0.8
105.07039	2.0
107.04941	3.7
107.08590	2.3
121.06520	3.8
121.10105	1.5
123.04375	0.8
127.03961	0.9
131.08568	13.2
137.05951	0.7
145.04936	1.2
145.10114	3.2
149.05972	3.2
149.09612	4.8
163.06200	0.7
163.11150	1.0
167.07033	100.0
168.07387	1.6
177.05469	5.8
180.08701	1.5
181.08554	1.7
191.10677	3.6
195.06525	0.7
209.08098	22.4
209.11696	24.2
227.09137	43.1
228.09428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.3
66.07643	1.8
67.05482	2.2
69.03434	1.8
69.07068	2.3
71.15617	3.0
77.46885	1.5
81.07035	3.4
84.50516	1.4
84.78465	1.7
85.02911	1.6
90.67578	1.5
91.05494	2.7
91.44882	1.4
93.07036	1.9
94.36805	1.5
95.08611	3.1
105.07074	1.9
109.10128	2.2
121.06528	2.4
123.18180	1.9
131.04961	2.0
131.08511	2.1
137.05960	19.9
147.04428	3.3
148.54778	1.6
149.05968	2.4
153.05473	2.3
161.05989	11.1
165.07039	3.4
167.07152	2.7
175.07446	2.8
179.08551	1.9
182.07434	1.8
188.04660	3.7
191.07137	2.0
193.06493	6.3
203.07030	9.7
205.08772	2.3
209.15392	1.7
210.06787	2.7
221.05891	12.6
224.08359	3.5
225.09058	17.7
227.07076	1.9
235.07555	2.4
238.06216	4.8
249.09073	3.8
252.07799	4.2
253.08583	28.5
254.09087	1.9
266.09387	2.0
267.10245	15.4
270.08890	2.2
277.08606	6.3
285.11191	85.6
294.08640	2.7
295.09586	5.5
297.11185	3.5
303.28958	1.5
309.11212	11.4
312.09821	2.1
327.12253	100.0
328.12527	2.9
337.40775	1.8
359.14847	44.7
360.15436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
55.01853	0.8
55.05502	1.0
57.03425	0.8
61.02911	0.7
67.05494	1.3
69.03436	1.4
69.07059	3.8
69.65615	3.7
71.04633	0.7
71.04986	7.2
79.05485	7.5
81.07043	1.9
81.40242	0.6
83.04952	1.5
85.02903	3.3
85.06518	2.4
91.05470	5.1
91.78801	0.4
93.07034	7.0
95.04951	1.8
97.02871	1.0
97.06529	1.1
105.07013	6.2
107.04934	3.6
107.07858	0.7
107.08588	12.7
108.08932	0.7
109.06470	1.2
111.04410	0.9
117.06982	1.9
119.08554	2.5
121.06500	12.0
121.10148	7.1
123.08035	1.0
125.05947	1.3
127.03879	0.6
129.06981	1.2
131.08562	60.1
132.08894	2.0
133.06470	0.7
135.04413	0.9
135.08040	1.1
135.11728	0.7
139.07579	0.6
141.05421	1.1
145.10114	13.9
146.10443	0.9
147.08014	0.9
147.11679	1.1
149.05936	1.4
149.09607	24.3
150.09940	1.0
153.05499	3.1
155.06969	0.9
163.11179	9.5
165.09142	1.9
167.07033	4.5
167.10703	2.0
173.09592	1.9
177.05588	0.6
191.08904	1.0
191.10654	20.1
192.10992	1.3
202.24120	0.6
209.11717	100.0
210.12059	4.8
215.81941	0.6
219.41235	0.5
227.12700	2.2
238.10416	0.6
271.91904	0.5
406.16351	1.3
407.18607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03951	7.9
55.01861	9.2
57.03435	9.1
59.42676	1.4
61.02924	8.6
67.53481	1.1
68.99772	3.3
69.03072	2.4
69.03427	36.2
69.13847	1.2
69.94207	6.4
71.01349	1.3
71.04987	5.7
73.02911	13.8
81.03406	31.7
83.01350	1.6
85.02898	100.0
87.00820	34.1
87.04437	1.4
89.03924	1.8
91.03953	3.3
95.04971	2.2
97.02887	38.4
97.69207	1.2
98.21381	1.7
99.04441	15.7
101.54967	1.4
103.03928	5.0
105.01850	29.7
108.04459	6.5
109.02870	79.9
112.19133	1.4
115.03886	3.8
116.98598	3.0
117.01834	4.6
117.03342	1.8
120.44946	1.2
122.06067	1.4
123.04446	1.6
126.05510	4.0
127.03907	73.1
128.04283	2.2
129.01833	8.1
133.02837	4.1
137.05984	4.8
141.05447	30.5
145.02934	7.9
145.04947	33.9
146.99712	1.8
147.02946	4.7
147.04387	3.5
149.06010	2.2
151.03842	2.2
154.08649	1.5
159.02884	23.1
165.05504	14.0
167.06927	2.1
171.02890	2.4
177.03975	2.3
177.05444	13.4
178.05852	1.7
179.05807	2.2
179.07159	2.5
183.06522	2.6
189.03943	11.3
193.89989	1.3
203.07193	4.5
207.06499	14.1
209.15460	3.1
213.03860	2.4
231.04716	12.4
231.06671	3.8
234.06970	1.4
237.02919	1.6
241.11746	1.4
248.07643	3.6
249.07634	16.2
298.78940	1.4
353.08389	1.7
406.17413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
56.96563	23.8
57.03436	45.9
60.42001	1.7
61.02925	24.1
62.67473	1.5
69.03426	35.0
69.66866	1.7
69.91064	2.4
69.91470	6.5
70.06602	2.4
71.04983	6.4
73.02918	100.0
74.03270	3.3
75.04467	2.6
77.54203	1.5
80.60372	1.6
81.03413	12.2
83.04985	2.3
83.06105	3.8
84.08163	2.4
84.96040	4.2
85.02907	65.9
86.03241	3.2
87.00842	2.1
87.04481	5.4
89.03941	2.5
89.36525	1.6
91.03943	4.5
95.04959	1.7
97.02894	38.3
97.03896	1.7
98.03226	2.3
98.97580	38.9
99.04455	7.4
100.99159	2.8
101.00861	2.3
101.94183	1.6
103.03915	1.8
105.01921	2.2
105.07048	2.6
109.02889	12.4
110.01310	2.4
110.97580	6.3
111.02045	2.1
111.04431	2.3
112.02850	1.7
112.05100	11.9
112.07610	4.8
112.99132	5.9
115.03942	11.3
115.65840	1.7
116.07107	2.1
116.98619	24.5
117.03363	4.1
118.02837	2.6
119.00172	1.9
119.01868	13.4
119.04946	2.8
121.01640	2.1
121.06513	2.0
123.04569	2.4
127.03929	20.4
128.02296	4.2
128.98607	13.4
131.00174	16.4
131.01857	3.4
133.03471	3.7
133.04971	3.6
133.06479	2.0
134.99669	13.6
135.04338	2.0
137.05974	4.2
140.02312	3.0
140.98607	2.5
141.05458	3.3
143.00175	6.1
143.01843	3.8
145.01700	4.1
145.02914	6.2
145.04965	11.3
146.99649	13.3
147.03117	8.2
147.04341	4.0
149.01216	26.7
149.02850	5.1
154.03748	2.3
155.01907	5.3
155.02979	2.7
156.03629	21.2
157.01691	2.1
157.03468	2.4
158.01288	2.3
158.99635	12.8
161.01299	11.4
161.02824	9.0
162.03433	2.8
162.99150	2.1
163.02745	4.0
163.04129	2.8
165.00732	6.1
167.02249	8.4
167.07008	2.6
169.04405	4.2
170.03430	3.7
170.99692	10.9
171.04086	2.4
173.01259	6.5
173.02963	11.0
174.03128	3.1
175.02794	6.3
175.04425	2.8
176.03331	3.3
177.00703	21.6
177.05496	14.3
178.04877	23.0
179.02133	2.0
179.07016	2.0
179.68912	2.0
182.03345	5.9
185.01306	1.7
185.04027	3.3
186.04584	3.0
187.04491	4.0
188.07719	3.2
189.00702	22.3
190.01135	2.7
191.02351	9.3
191.03903	8.2
193.03835	4.8
194.04509	5.1
195.01767	2.9
197.03169	2.5
197.55498	2.0
200.02419	1.7
200.04265	2.4
201.00760	7.7
203.02260	4.9
203.04028	3.6
204.05437	3.6
205.00275	2.2
207.01830	5.4
209.03304	2.5
211.04831	4.3
212.02187	2.3
212.07706	8.4
213.03525	2.9
215.04001	2.0
217.03810	2.6
217.05659	3.2
219.01791	13.9
221.05084	3.5
222.03935	3.3
223.01123	2.1
223.04810	2.8
228.05725	33.6
228.55913	5.1
230.08775	8.9
230.98169	2.1
231.01793	6.1
233.05122	4.2
235.01353	2.0
235.06526	30.9
235.56673	4.4
237.02788	20.4
237.06201	13.8
243.01759	2.9
244.06772	3.2
244.12915	6.0
245.05067	7.2
246.57399	1.7
248.57114	3.6
249.02475	8.5
250.07031	40.3
250.57245	7.8
251.04500	3.9
255.03996	3.4
255.57910	3.2
257.06058	5.5
259.07370	2.3
261.02881	2.7
263.00867	1.9
264.05292	2.0
266.06390	11.2
267.03940	2.8
269.05457	5.1
275.06213	5.3
276.07571	2.8
279.05646	8.9
281.05502	2.2
286.06213	5.2
287.06287	2.2
288.05939	3.5
291.03778	10.5
293.05365	9.7
294.08032	10.8
295.06503	2.9
301.06744	4.0
303.08533	2.9
309.04898	2.7
309.08389	3.3
310.09222	2.6
311.06567	3.6
311.10117	2.4
316.09299	4.9
321.10226	1.8
325.09775	17.1
325.59479	2.0
332.08670	52.5
332.58902	6.8
335.06461	2.4
337.07834	3.6
340.10358	1.9
351.05978	6.3
355.09186	3.4
367.09384	1.7
383.08377	2.9
406.12149	14.8
406.62228	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	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05256	0.7
55.05512	9.6
55.05777	0.7
57.03428	5.0
57.07074	3.8
67.05499	5.4
69.07063	9.4
70.19638	0.4
71.08617	1.8
71.52598	1.0
79.05484	3.6
81.03407	0.7
81.07050	6.5
83.04985	0.9
83.08617	8.4
85.10168	0.7
91.05463	1.8
93.07053	3.8
95.04945	0.9
95.08611	4.2
97.02878	0.5
97.06516	1.1
97.10174	5.3
105.07036	1.2
107.08593	2.2
109.10145	1.9
111.08078	0.9
111.11710	1.8
113.00012	100.0
117.06985	0.6
119.08582	1.8
121.10138	5.2
123.11704	1.4
125.13280	0.5
131.01067	1.1
131.08563	0.9
133.10068	1.0
135.11681	3.4
135.93562	0.5
137.13251	0.7
139.01584	0.9
139.11102	0.5
143.08597	0.6
145.10063	1.0
149.13228	1.2
151.01611	0.5
154.02640	0.9
157.10159	0.7
159.11694	0.8
161.13315	0.6
169.02608	99.6
170.02936	1.3
173.13235	0.6
197.13133	0.5
219.21051	1.9
237.22115	7.7
238.22470	0.5
249.14984	0.5
313.45044	0.5
369.24191	1.2
387.25092	1.0
405.26071	1.5
405.35416	1.3
409.51526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03933	4.7
55.01870	9.7
55.05256	1.7
55.05509	20.0
57.03432	4.5
57.07063	3.7
59.04996	1.1
61.19615	1.1
65.03941	3.3
67.05504	50.1
69.03429	17.0
69.07068	16.7
69.95595	3.2
69.96004	3.1
71.04995	7.8
73.02906	3.7
75.30218	1.0
77.32301	0.9
79.05492	41.9
81.03420	19.9
81.07056	50.5
83.04973	10.3
83.08614	11.7
85.02882	8.9
85.06534	3.4
91.04894	1.3
91.05480	43.8
93.07044	45.9
95.04964	14.3
95.08604	44.7
95.09220	1.2
97.02881	7.8
97.06532	5.6
97.10146	5.6
99.04451	6.0
99.08092	1.4
103.03932	1.9
103.05489	2.8
105.07028	52.2
107.04958	5.5
107.07866	1.6
107.08591	31.8
109.02872	4.3
109.06525	8.7
109.10158	16.0
111.04424	11.0
111.08086	3.6
113.05991	1.1
115.03885	1.9
115.05444	2.1
117.07019	29.3
119.04921	1.4
119.08581	36.2
121.06488	6.1
121.10142	23.4
123.04422	3.4
123.08055	5.4
123.11701	5.8
125.09605	3.5
127.03918	3.4
128.06239	4.5
129.05450	4.3
129.07002	18.8
130.07797	2.8
131.04895	1.4
131.08563	37.6
133.06490	6.3
133.10123	28.6
135.08038	5.9
135.11693	13.1
137.05974	2.2
137.09627	2.2
137.13240	1.7
139.11246	1.4
141.07010	3.7
141.12431	1.2
141.21936	1.4
142.07809	4.6
143.08554	15.8
144.09312	1.4
144.69681	1.3
145.06490	5.9
145.10123	28.0
145.11275	1.5
147.08060	7.0
147.11682	19.4
149.09612	5.2
149.13286	7.8
151.07550	3.1
151.11169	1.8
153.09111	1.8
153.12637	1.4
154.07742	1.5
155.08549	6.5
156.09389	1.5
157.06506	3.3
157.10115	15.2
159.08055	5.1
159.11708	21.9
161.09630	4.9
161.13268	12.0
163.07492	1.3
163.11217	2.8
163.14838	2.8
165.07027	1.4
167.06972	1.4
167.08545	2.6
169.10088	7.7
171.08031	3.9
171.11694	12.8
173.09607	4.4
173.13254	15.6
175.07588	2.1
175.11180	4.4
175.14828	5.0
177.12741	1.7
179.14299	1.4
181.10129	4.9
183.08022	3.0
183.11665	8.3
185.09615	3.8
185.13246	11.3
187.11179	4.8
187.14905	6.4
189.12794	3.8
191.10677	2.0
193.10278	1.6
193.12257	1.9
195.11694	3.8
197.09630	1.3
197.13240	6.1
199.11194	3.2
199.14825	7.4
201.12784	3.8
201.16422	3.6
203.10803	1.7
203.14330	2.3
205.12265	2.1
207.11766	2.4
207.13907	1.6
209.13263	2.4
211.14850	2.6
213.12732	3.3
213.16417	2.2
215.14320	2.4
217.12190	2.2
217.15924	1.6
223.14799	2.0
223.16905	1.6
225.12672	2.0
227.14307	2.7
233.15500	1.9
235.17039	1.4
239.14395	1.6
241.19562	2.4
243.13794	1.6
245.18936	1.8
247.16972	2.0
253.19514	1.2
255.21335	1.5
257.15237	1.7
259.20584	4.9
261.22137	1.9
270.72931	1.3
271.20660	4.6
273.22153	5.7
275.20050	1.6
277.21643	5.9
283.20636	2.6
285.18909	1.6
285.21896	5.3
287.19919	2.2
287.23318	1.2
289.21661	8.7
291.23169	3.2
297.22055	2.6
299.20108	1.8
299.23642	2.4
301.21573	10.8
303.23251	8.2
309.22058	2.4
313.21600	4.9
315.23157	11.3
317.24652	1.8
319.22763	6.1
323.23679	3.3
327.23013	6.5
331.22665	5.1
333.22116	2.3
341.24649	11.2
343.22894	1.3
345.24298	8.5
351.23120	11.3
357.23953	1.8
359.25797	4.3
369.24231	47.6
370.24582	2.6
375.25757	1.4
387.25302	39.2
404.75674	2.2
405.26334	100.0
406.26663	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24138	3.1
55.01852	7.1
55.05508	4.2
56.49604	3.0
56.96558	18.8
57.03434	51.7
59.04989	2.9
60.04521	5.2
61.02927	25.6
62.06086	3.4
67.05495	4.9
69.03419	40.5
69.07056	5.7
70.06575	5.0
71.04983	10.3
71.60950	5.4
72.08131	2.6
73.02912	100.0
74.03226	3.9
79.56004	2.4
81.03419	15.7
83.04956	3.9
84.04502	3.4
84.08136	14.0
84.96033	4.1
85.02422	5.2
85.02898	76.7
86.03232	3.6
87.04432	9.6
91.03942	5.8
97.02888	42.3
98.97581	32.5
99.04445	11.0
101.00885	7.0
101.05997	5.1
106.05027	4.6
109.02881	11.7
110.05984	4.3
110.97539	7.3
111.04411	6.2
112.99097	6.6
115.03908	12.9
116.07096	6.2
116.98607	27.7
119.01905	27.5
123.01305	2.8
127.03890	31.0
128.07066	4.5
128.98616	11.7
131.00153	11.9
131.01884	9.9
133.03465	14.0
133.05005	3.0
134.03558	3.4
134.99634	8.0
136.07533	4.4
137.03030	4.5
137.05899	3.3
138.05450	3.9
140.04161	3.1
142.08574	5.0
143.00099	6.8
143.01872	21.1
145.01659	3.5
145.03459	9.7
145.04941	18.2
146.03581	4.3
146.99614	10.9
147.01302	4.0
147.05054	4.4
149.01210	9.5
149.04749	3.4
150.06679	3.2
155.01883	17.5
156.03630	3.7
157.03461	11.3
158.99655	12.3
159.05003	6.7
161.01239	6.1
161.02936	33.9
161.05608	8.6
163.02705	6.0
163.04428	8.1
163.54910	2.8
165.00710	3.9
169.03400	5.1
170.06038	3.4
170.99643	11.5
173.01367	5.6
173.02927	27.8
174.03136	5.2
175.00972	3.3
175.02759	3.0
175.04506	7.8
177.00716	19.9
177.05923	4.6
178.04910	16.0
183.05161	4.0
185.02959	9.3
187.04457	5.2
189.00769	19.3
189.02255	5.3
191.02318	6.3
191.03954	7.5
192.05374	3.4
193.03746	4.5
197.03029	3.5
199.04605	7.0
201.00748	4.1
201.06061	7.0
202.09137	5.5
203.02280	5.1
203.03911	16.1
203.09393	8.9
205.03665	3.5
207.01779	5.6
211.04578	3.7
215.04025	5.3
216.59003	3.4
217.03804	3.4
217.05641	4.4
219.01740	18.9
219.03494	4.2
219.07185	7.9
221.05080	13.2
221.10442	12.2
222.05278	8.5
227.06966	4.3
228.05696	3.9
231.01756	4.2
231.07201	4.0
233.04999	6.2
233.29665	3.0
234.07573	6.9
235.06656	8.5
237.02798	24.1
242.07840	6.2
243.10747	5.1
243.13277	19.3
245.05029	12.2
247.04663	3.8
249.02824	10.1
249.06108	3.7
250.06966	8.5
251.04309	3.2
254.07620	3.0
259.06628	10.8
263.06137	5.3
264.07730	4.1
266.06473	10.2
266.56580	3.5
273.07349	4.7
275.06140	18.1
275.08929	3.0
276.09985	10.8
291.03885	6.2
291.09039	5.6
293.06955	3.9
305.10825	3.9
306.10907	8.6
308.09381	11.7
309.04749	4.2
315.09213	4.0
321.10382	23.1
322.10275	3.9
323.10083	3.8
335.08371	6.1
337.58176	4.2
345.06378	4.1
350.06244	3.6
351.05814	5.8
361.09512	5.3
377.14453	4.5
395.10049	4.2
405.07791	94.8
405.14142	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	5.3
69.03434	6.5
69.70228	24.1
73.02908	4.8
79.05485	6.2
81.03371	3.1
83.04972	4.1
85.02914	24.1
85.06511	5.6
91.05481	11.7
91.84785	3.3
93.07092	5.6
95.08587	20.4
97.02914	3.5
98.21491	5.3
98.97591	6.4
99.04417	5.0
104.94482	4.8
105.07029	42.8
107.08598	9.8
109.02873	3.5
109.06518	14.0
109.10148	3.6
117.07066	4.8
119.08580	45.4
121.10136	13.3
123.08075	12.9
123.11715	17.2
127.03913	4.9
131.08588	5.3
133.10172	4.4
137.09642	4.4
145.10095	9.1
146.41830	3.0
147.11668	65.8
149.09599	15.2
151.07576	5.0
156.10258	5.5
161.13306	5.1
163.11137	4.9
164.43967	3.5
165.12743	7.0
167.07079	5.2
169.04907	7.3
171.11652	6.3
189.12732	68.8
190.13084	5.1
207.06580	6.7
207.13792	100.0
208.14198	6.5
225.14801	6.0
237.02809	3.4
298.53854	3.5
300.59811	3.7
307.10623	8.1
351.64633	3.9
383.14178	3.2
405.17343	72.3
421.13785	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80410	0.3
51.97875	0.2
55.01868	0.3
55.05502	0.4
56.32290	0.3
57.03426	0.6
61.02920	0.5
67.05492	1.2
69.03423	1.0
70.07613	1.6
71.04978	0.6
73.02901	0.4
75.01809	0.2
79.05492	1.3
81.03405	0.7
81.07061	1.5
83.04967	1.8
83.08612	0.3
85.02898	3.4
91.05460	0.6
93.07026	1.3
95.04963	1.3
95.08601	3.1
97.02871	0.8
97.06527	1.2
98.20687	0.3
99.04433	0.4
99.08070	0.5
105.07035	0.9
107.04951	0.6
107.08608	1.4
109.06490	1.9
109.10150	0.3
111.04424	0.9
111.08096	0.5
119.08573	1.7
121.06496	0.7
121.10146	3.6
123.08060	100.0
124.07573	0.4
124.08386	2.7
125.05969	0.4
125.09669	0.4
127.03893	0.6
128.60085	0.3
133.06465	0.4
133.10130	0.8
135.11690	1.0
137.05957	0.7
137.09622	0.8
145.04973	0.9
145.10139	0.8
147.04385	0.5
147.08002	0.4
147.11688	0.8
149.09636	1.8
151.11159	2.7
161.05991	0.5
161.09625	0.5
161.13223	0.5
163.07587	0.5
163.11150	1.5
163.21399	0.3
165.12814	0.4
167.07025	2.9
167.10609	1.3
175.07616	0.4
179.14288	0.4
181.08719	0.3
181.12227	10.9
189.12729	0.8
193.08595	0.4
197.07071	0.5
207.13792	3.3
211.08687	0.4
225.06735	0.5
225.11212	1.1
225.14851	16.4
226.15285	0.7
233.11801	0.3
239.08141	0.9
245.12779	0.8
249.03975	0.3
253.09746	0.8
256.69205	0.3
257.09421	0.4
267.07602	0.5
273.07959	0.4
281.09116	0.8
299.10214	0.8
309.08521	0.9
316.09888	0.3
327.09686	1.6
345.10852	2.5
355.09378	0.5
373.10327	3.0
404.15402	0.4
405.12634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	1.4
66.87738	0.6
69.03413	2.0
70.06575	0.6
71.04982	0.6
71.59169	1.3
73.02930	0.8
73.56523	0.6
81.03439	0.9
81.07057	0.7
83.01364	0.6
85.02905	5.5
90.15457	0.6
91.03951	0.7
91.05469	11.7
97.02895	1.0
107.21938	0.5
112.07591	0.7
113.17093	0.6
118.04166	0.9
119.04091	1.2
119.04929	18.9
122.95897	0.5
123.11657	1.9
123.27481	0.5
127.03958	1.1
140.06882	0.6
142.28418	0.5
145.04941	1.6
147.04391	17.5
157.03967	1.5
164.04691	1.1
175.03894	35.0
176.04280	0.7
179.07019	2.3
180.08649	1.4
189.12721	0.7
192.04179	9.0
207.06508	100.0
208.06798	1.5
225.07550	43.9
226.07854	0.7
389.48605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01849	1.1
55.05502	2.0
56.96568	2.3
57.03421	1.8
61.02929	2.7
65.03950	1.4
67.05493	1.6
68.05012	2.5
69.03410	5.8
69.07059	2.2
70.06573	1.2
71.04997	2.1
71.61977	2.4
73.02906	4.2
79.05485	3.4
81.03419	3.0
81.07059	3.0
83.04993	1.8
84.04508	1.5
85.02892	16.5
86.09711	2.4
87.04510	1.1
91.05465	11.5
93.07037	3.9
95.01321	1.9
95.04945	1.7
95.61888	1.1
97.02885	7.0
98.97584	3.6
99.04422	1.2
104.12039	1.0
105.07026	2.3
107.04992	2.9
107.08607	2.4
109.02866	2.4
109.06483	6.7
115.03930	1.7
115.48872	1.1
116.98611	2.3
119.04939	18.6
121.06524	3.1
122.06007	1.7
123.04450	3.3
124.05199	1.6
125.05954	1.1
127.03907	4.8
133.06494	2.4
134.99625	1.2
137.05998	2.0
138.05502	1.3
138.09180	1.9
140.07053	1.7
142.08615	3.4
145.04985	4.0
147.04405	20.2
149.02330	1.6
149.06007	2.2
152.04688	1.4
152.39500	1.2
156.10214	2.4
161.01212	1.4
162.07600	1.7
164.04524	1.4
167.07034	97.9
168.07368	3.9
175.03897	40.0
176.04256	2.3
177.00652	1.8
177.05504	2.2
179.07091	2.4
180.08701	1.9
181.08614	2.8
192.04166	7.8
193.08658	3.1
199.57915	1.3
207.06514	100.0
207.13864	1.5
208.06874	3.4
211.09616	12.5
213.11264	1.3
224.13066	1.5
224.16396	1.6
225.07562	46.8
226.08076	2.1
237.02789	3.8
242.13914	3.1
242.17578	1.9
272.09366	2.2
285.07825	2.1
351.10370	1.1
387.12863	8.3
404.15887	12.9
405.15231	4.9
412.34875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97174	0.5
56.96561	13.8
60.84536	0.5
69.40406	3.4
69.40832	1.8
71.95232	1.4
79.05455	0.7
91.05492	0.6
93.07023	0.6
94.04176	1.2
95.08550	0.5
98.97573	41.0
99.69357	0.5
106.45493	0.5
116.98611	57.1
119.13592	0.5
122.03637	4.1
134.99648	62.6
135.99883	0.6
137.05965	49.5
138.06288	1.3
140.00203	5.9
153.00706	14.2
158.01250	10.4
171.01866	0.5
175.52715	0.6
176.02284	1.9
176.07037	0.8
179.00122	0.6
181.02779	0.7
192.93027	0.5
197.01266	3.4
198.02028	1.1
201.80130	0.5
208.10271	0.6
211.02779	1.6
215.02315	1.2
220.00418	1.9
224.09579	1.5
226.11136	15.9
235.02751	41.1
236.03040	1.5
238.01456	3.2
242.10553	1.7
244.12210	11.7
245.12349	0.7
249.12845	0.7
253.03818	100.0
254.04193	2.7
267.13815	2.7
268.12158	3.8
271.04904	6.8
276.05420	26.1
277.05753	1.1
280.12131	1.8
286.13235	1.2
294.19467	0.6
321.14655	0.5
329.12860	2.0
344.15311	5.8
358.81027	0.6
362.16275	2.3
385.17932	0.9
404.17422	95.9
405.17719	5.0
422.18604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	1.4
66.87738	0.6
69.03413	2.0
70.06575	0.6
71.04982	0.6
71.59169	1.3
73.02930	0.8
73.56523	0.6
81.03439	0.9
81.07057	0.7
83.01364	0.6
85.02905	5.5
90.15457	0.6
91.03951	0.7
91.05469	11.7
97.02895	1.0
107.21938	0.5
112.07591	0.7
113.17093	0.6
118.04166	0.9
119.04091	1.2
119.04929	18.9
122.95897	0.5
123.11657	1.9
123.27481	0.5
127.03958	1.1
140.06882	0.6
142.28418	0.5
145.04941	1.6
147.04391	17.5
157.03967	1.5
164.04691	1.1
175.03894	35.0
176.04280	0.7
179.07019	2.3
180.08649	1.4
189.12721	0.7
192.04179	9.0
207.06508	100.0
208.06798	1.5
225.07550	43.9
226.07854	0.7
389.48605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
69.03419	0.8
70.07808	1.3
73.02907	1.2
73.06546	0.3
81.03391	0.3
85.02904	1.7
86.94261	0.3
92.60296	0.3
97.02877	1.1
98.97604	0.4
112.03715	0.8
116.98619	0.4
117.03400	0.4
127.03931	0.3
143.39615	0.3
145.02809	1.6
145.04919	0.4
147.04341	0.3
149.06610	0.4
153.05333	0.7
155.01823	0.5
157.03545	0.4
167.07068	0.4
171.06203	0.6
173.02950	0.6
177.00510	0.3
177.05479	3.7
184.08092	0.3
202.09221	0.9
207.06514	0.5
212.07643	0.3
219.01697	0.4
220.10333	1.5
221.05048	1.4
224.09035	1.0
237.02803	0.6
242.09991	4.7
242.12196	0.5
260.09814	1.0
275.09723	1.8
287.11014	9.3
305.10886	1.5
333.11441	2.2
376.14389	0.4
404.15216	100.0
405.15561	2.8
420.11987	0.3
429.15198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41038	0.5
56.96559	1.1
57.03426	1.2
57.07096	0.4
61.02912	0.8
69.03432	1.2
69.71909	4.1
72.08158	0.6
72.61603	0.6
73.02903	1.7
73.06564	0.6
74.06046	0.7
76.97602	0.5
80.58427	0.6
81.03426	0.9
81.07056	1.3
85.02903	4.1
89.03903	0.9
91.05492	0.6
97.02895	2.3
98.21396	0.7
98.97564	1.1
100.19928	0.6
112.03690	0.6
116.98604	1.6
117.03374	2.0
119.04961	0.7
119.30559	0.6
127.03938	1.1
127.04960	0.6
131.04836	0.5
134.99715	0.6
140.07141	0.6
145.02821	4.8
149.06021	1.4
153.05473	0.6
159.03204	0.5
167.07069	1.2
173.03041	0.6
175.03958	1.0
177.05449	10.9
177.06833	0.5
180.00151	0.6
183.03566	0.6
192.04266	0.7
202.09152	1.2
207.06502	1.0
219.01694	0.6
220.10271	1.4
221.05069	1.4
224.09012	1.2
225.07529	0.7
237.02846	1.0
242.09991	4.6
260.09900	0.5
275.09729	1.0
287.11032	10.2
305.10907	1.2
333.11621	2.2
376.14432	0.7
404.15240	100.0
405.15430	2.0
420.11850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71966	0.8
56.96540	1.3
57.03426	1.7
61.02913	1.5
64.47989	0.8
67.05472	0.8
69.03408	3.5
69.07069	1.0
70.06598	1.3
71.05740	2.0
71.06062	1.0
72.08138	1.1
73.02913	1.6
77.78084	1.1
81.03417	2.1
81.07050	0.9
84.08146	1.0
85.02898	8.2
89.03923	7.2
91.05474	4.8
94.06594	0.9
95.04955	1.0
95.08620	1.5
97.02878	4.1
98.97594	1.5
103.18437	0.9
105.06990	1.3
109.02859	1.2
109.06494	1.2
111.04424	0.8
116.98589	1.4
117.03374	21.8
119.04928	4.7
119.08540	1.0
123.04400	0.9
124.03938	4.2
124.07551	1.1
127.03899	3.6
134.03618	2.2
135.04460	1.6
137.05984	2.0
138.09077	1.1
139.31528	0.9
140.07065	1.6
145.02831	59.8
146.99597	0.9
147.04401	5.2
149.05983	7.1
156.10213	0.9
160.05017	0.9
161.05901	1.4
163.03854	1.4
167.06973	4.1
169.04912	1.7
175.03899	9.1
177.05457	100.0
178.05800	3.2
181.08527	1.3
186.05489	2.4
192.04189	2.2
196.09705	1.2
203.06960	1.0
206.11801	2.0
207.06520	20.2
225.07594	9.6
242.10187	3.5
242.13907	5.0
290.58670	0.8
347.53769	0.9
404.15656	5.0
405.17270	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	403.1963
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03939	6.0
55.01869	9.1
55.05508	10.4
57.03437	5.3
59.04986	7.0
61.02930	3.3
61.73497	2.4
67.05495	15.9
69.03423	15.1
69.07066	22.0
70.06585	4.1
71.04987	14.7
71.60228	4.2
72.08149	3.7
73.46475	2.5
79.05514	12.9
81.03417	4.1
81.07050	42.8
83.04975	23.4
83.08611	6.2
85.02884	17.0
85.06541	7.7
86.09689	3.7
87.04462	45.6
91.05479	14.5
93.07034	43.7
95.04968	23.7
95.08593	22.8
97.02883	12.8
97.06522	17.3
99.04448	12.0
99.08114	3.0
101.06010	3.2
105.07020	30.7
107.04948	6.4
107.08586	27.7
109.02869	4.0
109.06531	14.8
109.10151	9.9
111.08072	40.9
115.03898	4.6
116.98586	3.5
119.04914	3.9
119.08569	14.4
121.02876	6.7
121.06491	34.4
121.10162	8.2
123.04395	3.1
123.08076	7.8
123.11696	21.1
125.05990	11.5
125.09607	3.4
127.03933	10.6
127.07593	4.8
129.01840	5.9
129.05470	27.4
131.08554	6.8
133.04941	18.2
133.06490	3.1
133.10106	23.9
135.08037	9.8
137.05974	9.6
137.09625	8.6
139.07498	13.1
139.11194	8.9
140.11514	3.4
142.07767	4.4
143.03438	3.7
143.07034	7.1
145.10126	10.0
147.04419	3.6
147.06499	7.9
147.08084	4.1
147.11679	39.5
149.09554	4.0
151.07550	3.6
151.11191	11.7
153.05478	3.5
156.09325	2.7
157.04935	28.4
157.08633	4.5
157.10104	10.6
161.13275	2.5
163.11276	3.8
163.14786	2.7
165.12752	16.2
167.07062	10.8
167.10936	2.7
169.12225	52.0
171.11736	4.4
173.09705	3.4
173.13292	3.7
175.06017	100.0
175.11169	24.0
189.12778	10.8
193.08665	4.3
193.12215	33.8
199.11197	6.1
201.05489	7.6
205.12282	2.7
207.13788	6.8
211.10025	2.8
211.13280	61.0
211.15263	4.0
217.12207	21.2
223.13286	3.6
229.14279	29.0
235.13324	25.2
241.14374	3.1
253.14401	13.2
270.83188	2.7
283.10059	2.8
307.15332	7.4
325.16595	5.8
349.16217	5.2
367.08136	4.9
367.17490	9.8
371.14978	5.5
376.08722	2.7
403.09583	9.6
403.15024	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	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01867	2.5
55.05496	3.0
55.95646	1.1
56.05018	1.0
56.96557	4.3
57.03419	2.0
59.05000	1.4
60.54231	1.0
61.02905	3.5
67.05493	5.3
69.03124	1.1
69.03432	10.3
69.07043	4.4
70.06581	1.4
71.04987	2.5
71.60106	1.5
72.08146	2.6
73.02903	3.1
74.97611	1.3
79.05489	6.0
81.03394	3.2
81.07034	4.5
83.04975	10.1
84.04488	1.9
84.08134	1.9
84.96038	1.6
85.02905	14.3
85.06523	2.7
86.03198	1.6
86.09696	5.5
87.04474	1.3
91.05482	18.0
93.07042	64.3
94.07358	1.2
95.04975	9.1
95.08578	4.2
97.02872	5.0
97.06522	3.0
98.97575	6.1
99.04456	2.0
103.05458	4.3
105.07022	4.8
107.04949	1.6
107.08574	5.9
107.73163	1.1
109.02893	1.4
109.06508	4.4
109.10126	3.0
110.06019	1.3
111.08066	3.1
113.06002	1.4
116.98591	5.3
117.06998	3.4
119.04983	5.3
119.05723	1.1
119.08585	5.7
120.08070	1.6
121.06499	100.0
121.10119	3.4
122.06814	2.0
123.04443	1.3
123.08055	3.6
124.07599	1.2
125.09639	1.6
127.03921	3.1
127.07564	9.5
128.98636	1.4
129.01830	1.7
129.06963	1.1
131.00168	2.0
131.04974	1.1
131.08507	2.2
133.10129	2.4
134.99629	4.0
135.04399	1.6
135.08047	2.1
135.11728	2.9
137.05965	2.6
137.09566	1.8
138.09122	1.3
139.07523	5.9
143.00127	1.5
145.04916	3.1
145.10071	3.1
146.99628	2.2
147.04361	3.4
149.05962	2.2
149.09651	6.6
151.07507	1.7
153.09090	2.8
155.10591	2.0
157.10066	1.6
158.99655	2.5
159.03183	1.1
159.11670	12.2
161.09421	1.2
161.13214	2.0
163.03914	1.3
163.11176	3.2
165.09122	1.2
167.07031	4.9
167.10600	1.6
173.04836	1.1
173.12871	2.5
175.03909	5.2
175.11145	3.2
177.00691	6.1
177.05464	1.3
177.12737	2.6
179.06995	1.2
181.12238	1.3
183.06561	1.7
187.11159	4.3
189.00688	1.7
192.04158	1.4
193.12279	1.8
196.05057	1.7
205.12228	52.3
206.12576	1.9
207.06500	13.5
215.05861	1.3
219.01781	3.2
223.13295	21.5
224.12772	1.4
225.07565	5.3
237.02843	10.3
241.07547	1.0
241.09648	5.9
241.14076	2.0
257.06937	1.4
259.08325	1.4
266.97113	1.0
268.18307	1.0
271.10806	7.8
272.09137	4.2
289.61981	1.1
308.09073	1.3
317.09006	7.7
335.10089	7.9
359.10199	4.6
377.10956	2.1
385.13785	2.3
403.09351	2.1
403.15076	14.1
404.15375	1.4
421.14676	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	403.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67611	2.2
83.64347	0.3
91.32265	0.2
98.20718	0.3
102.79610	0.2
118.63017	0.3
119.56567	0.3
137.90419	0.2
178.55527	0.3
207.06537	0.5
271.11407	1.3
333.07935	3.7
335.09406	1.9
403.15726	100.0
404.16165	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.102
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
52.81531	0.5
55.01864	1.8
65.03945	0.7
68.96154	0.5
69.03434	1.5
69.91671	3.1
73.80904	0.6
85.02922	1.0
95.04958	0.6
119.04919	3.4
121.01987	1.1
121.02854	18.2
121.03703	1.3
127.79672	0.6
141.01822	0.8
145.02846	3.5
149.98199	0.6
153.01961	0.6
163.03859	3.2
165.01761	4.2
167.03357	1.4
175.03862	0.8
179.03351	1.3
181.04915	0.6
183.02885	2.6
187.03905	1.2
191.03401	1.4
193.04965	1.0
195.02882	0.6
203.03384	1.6
205.04999	2.7
207.02797	1.2
211.07651	1.0
213.05438	3.4
227.07094	1.2
228.07872	0.8
229.05013	1.2
231.02823	3.0
242.05737	0.7
243.06483	1.6
247.06110	1.7
249.03821	3.0
255.06488	5.5
256.07248	8.4
267.06564	2.0
268.07254	0.9
270.05142	1.4
271.05988	2.4
279.06439	1.6
281.08069	3.2
283.05994	64.2
284.06750	34.0
285.07355	3.6
293.07986	1.0
295.05975	16.2
296.06290	1.6
297.07523	29.1
298.08008	1.5
305.08142	2.2
307.05997	1.9
308.06711	2.4
309.07526	14.3
310.07990	0.8
311.05524	2.0
311.09161	6.2
313.07019	62.6
314.07245	3.5
321.07568	15.2
322.07870	1.1
323.05707	1.0
323.19644	0.8
324.06302	0.8
325.07059	10.4
327.08514	1.4
337.07040	38.5
338.07373	1.5
339.08511	6.1
343.08084	9.2
349.07010	12.7
367.08099	75.0
368.08435	5.0
385.09143	32.0
386.09378	1.1
403.10205	100.0
404.10510	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.102
Annotation	Isomollupentin
Peak:m/z	Relative Intensity
55.01871	3.9
60.30014	0.2
60.47863	0.3
61.02909	0.6
65.03905	0.6
68.99778	1.3
69.03392	0.6
79.05457	0.8
81.03405	0.5
87.04398	0.3
91.05442	1.0
92.99739	0.9
93.03346	0.7
95.04942	0.5
97.02853	1.1
107.04899	1.0
109.02853	0.4
111.04370	0.7
119.04933	5.2
120.74858	0.2
121.02858	18.6
122.03200	0.3
123.00826	0.3
131.04901	1.5
133.02786	0.4
133.10089	0.5
135.04399	0.9
137.02313	0.4
137.09598	0.5
141.01797	1.8
145.01730	0.4
145.02834	5.5
147.04361	0.8
149.02315	1.2
151.03883	0.5
153.01811	0.4
159.04436	0.5
161.02275	0.4
163.02518	0.5
163.03882	7.2
165.01823	14.1
165.05475	0.5
166.02185	0.4
167.02356	0.2
167.03427	2.5
167.07066	0.3
169.02765	0.8
175.03885	1.7
177.01813	1.2
179.03366	3.0
181.04988	1.5
181.06279	0.3
183.01286	0.5
183.02879	7.2
183.08051	0.3
184.03377	0.2
187.03928	2.0
189.01794	0.8
191.03368	2.1
193.04953	1.6
195.02872	1.7
197.04431	0.3
203.03366	4.4
205.04964	0.5
207.02853	1.4
209.04347	0.4
221.04425	2.4
227.06902	0.3
229.04924	2.4
231.02856	2.1
239.07048	1.2
242.05533	0.5
249.03908	1.9
254.05244	0.2
255.06517	0.9
256.07254	0.8
265.08350	0.3
266.05536	0.3
267.06497	7.4
268.06964	0.5
269.04431	0.4
269.08109	0.5
270.05240	2.6
271.05978	6.3
272.06363	0.4
273.03769	1.4
279.06470	4.4
280.06747	0.3
281.04855	0.6
281.08051	12.1
283.05988	99.7
284.06607	13.0
285.07376	1.0
293.08051	5.1
294.05099	0.7
294.08365	0.5
295.05988	15.2
296.06393	1.1
297.03894	0.9
297.07523	16.1
298.07932	1.0
303.06546	0.6
305.07996	2.4
307.06015	5.2
307.09451	0.4
308.06702	1.3
309.07538	35.4
310.04636	0.4
310.07837	2.2
311.05557	0.6
311.09079	4.8
313.07028	49.4
314.07346	3.1
320.06754	0.9
321.07553	47.0
322.07877	2.9
323.05450	0.6
323.08948	0.3
324.06244	0.3
325.07047	10.1
326.07288	0.5
331.05777	0.3
336.06088	0.4
337.07025	71.3
338.07437	5.0
339.08627	4.5
343.08032	0.5
349.07037	39.5
350.07401	2.9
367.08090	100.0
368.08463	7.1
385.09152	17.6
386.09439	1.5
403.10217	23.6
404.10660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89295	0.8
53.03935	1.8
55.01873	1.6
55.05502	2.7
56.05038	1.4
56.96560	1.0
57.03436	2.0
57.07067	1.0
59.04986	2.1
60.04522	12.5
61.02914	1.9
65.03929	0.8
67.05511	5.5
69.03425	5.9
69.07069	3.0
70.06584	9.2
70.79182	1.7
71.04988	1.5
72.04505	3.8
72.79169	0.7
73.02918	2.4
76.04015	1.6
79.05492	9.6
81.03422	2.8
81.07055	5.5
82.02936	3.3
83.04967	2.8
83.08669	0.7
84.04510	8.1
85.02905	15.2
85.06544	1.1
85.58292	0.7
86.09700	1.5
91.05479	8.8
93.07039	15.1
94.06581	1.4
95.04980	2.8
95.07354	1.3
95.08620	7.1
96.08115	1.5
97.02887	3.2
97.06533	2.4
98.06063	2.1
98.97601	1.6
99.04477	1.9
100.03968	11.5
103.03947	1.1
103.05520	1.1
105.07024	12.9
106.06524	1.1
106.48019	0.8
107.04954	5.8
107.08590	8.3
108.08162	2.1
109.02902	1.1
109.06513	2.4
109.10154	1.8
110.06023	2.1
110.09670	1.5
112.07639	1.0
115.03957	1.7
115.05497	1.6
116.98634	1.2
117.07005	4.6
119.08582	8.8
120.08085	3.3
121.06493	2.3
121.08849	1.8
121.09247	1.0
121.10138	17.8
122.09659	1.1
123.08061	26.3
123.11709	1.4
123.92407	0.8
124.07592	4.5
125.05988	3.0
127.03928	2.9
129.06973	2.1
130.07819	3.9
131.08575	4.5
132.08134	1.7
133.06467	2.2
133.10156	1.9
134.09654	2.0
134.99654	0.8
135.08052	1.2
135.11679	4.9
136.07541	1.4
136.11218	0.9
137.05966	1.0
137.09630	1.8
138.09132	4.0
139.03894	2.1
139.11185	2.7
140.07036	0.8
143.08562	1.6
144.08075	1.0
145.04964	2.1
145.06448	0.9
145.08929	0.9
145.10098	13.7
146.06065	0.9
146.09627	3.7
147.08014	0.9
147.10530	1.4
147.11687	6.5
148.07553	6.1
149.08487	1.7
149.09625	5.7
150.09128	2.2
151.07524	1.8
154.08644	1.8
155.08435	0.8
156.09344	1.7
157.10149	1.5
158.09612	1.5
159.10408	1.5
159.11649	1.6
160.11201	2.0
161.06001	2.3
162.09167	2.1
162.12781	3.6
163.03894	1.5
163.11172	9.6
164.10730	2.2
166.08638	7.0
167.07040	1.5
167.10652	10.8
167.11908	1.0
171.10374	2.3
171.11722	4.9
172.11203	26.8
172.12659	1.9
174.09213	1.1
176.10751	2.3
177.00710	0.9
177.05420	3.7
178.12276	2.6
180.13812	2.3
181.04977	1.2
181.12202	6.0
182.11786	1.0
186.12775	11.9
187.13573	10.3
189.12749	1.9
190.12274	3.9
193.08653	1.1
204.13831	29.9
205.14449	1.3
207.13876	1.8
208.13295	6.9
222.14880	100.0
223.15335	5.8
235.07640	1.1
237.02753	1.4
240.12112	2.3
240.15942	66.0
241.16302	1.5
252.10268	3.0
323.12393	0.9
333.07791	1.4
335.09094	0.9
340.12027	1.1
345.09674	1.7
384.20065	1.2
402.14880	10.2
402.21204	12.8
403.14966	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	401.287
Annotation	Arg Ile Ile
Peak:m/z	Relative Intensity
52.44242	0.3
55.05495	1.1
57.07064	0.5
58.06631	0.3
66.34599	0.3
67.05488	0.4
69.07082	0.8
70.06599	1.6
70.73036	1.0
81.07064	0.9
83.08587	0.6
88.07617	2.6
89.07941	0.4
89.59154	0.3
90.68000	0.3
95.08617	0.6
102.09176	1.0
107.08603	0.4
112.59334	0.4
119.08598	0.4
127.03893	0.5
133.10104	0.5
135.08182	0.4
191.16148	0.3
254.01624	0.4
318.15762	0.4
339.34512	4.0
362.83734	0.4
373.67975	0.3
383.29483	0.4
388.97729	0.4
398.76767	0.3
401.28723	100.0
401.37296	13.2
402.29016	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37985	4.2
53.03925	6.0
55.05498	8.0
57.03463	4.3
57.07061	9.6
57.79313	4.7
63.56425	4.3
67.05486	18.1
69.07043	16.9
69.57912	41.1
71.04971	11.6
71.08685	4.9
79.05483	26.0
81.07049	40.5
83.08593	6.5
91.05465	50.0
93.07040	52.5
95.04962	13.3
95.08617	40.4
97.06509	4.8
105.07021	99.1
107.08587	41.4
109.06508	60.4
109.10117	25.7
111.08040	7.4
113.08972	4.5
115.05440	8.7
117.06979	16.6
119.08571	82.3
121.10117	30.4
123.08028	7.8
123.11703	8.0
127.03832	5.4
128.06201	13.0
129.06979	20.3
131.08559	47.6
133.10121	83.2
135.08046	18.0
135.11717	25.9
141.06976	10.1
142.07758	25.0
143.08524	45.5
144.09389	10.1
145.10104	100.0
147.08049	6.5
147.11665	22.9
149.13213	5.0
155.08557	13.5
156.09283	19.9
157.10112	62.0
158.10867	10.6
159.11691	33.7
161.09639	7.6
161.13228	6.7
165.07033	6.8
167.08475	11.4
168.09311	11.4
169.10083	32.0
170.10849	9.4
171.11739	32.4
173.09567	4.9
173.13216	50.3
175.14821	19.5
179.08524	13.0
180.09344	6.4
181.10143	14.9
183.11679	17.6
184.12425	5.8
185.13234	16.2
187.11197	9.6
187.14822	40.7
193.10033	11.4
195.11702	17.9
196.12462	6.4
197.13251	21.0
199.12883	4.4
199.14706	24.1
201.12752	7.7
201.16470	5.5
205.83755	4.5
206.10963	7.1
207.11560	12.9
209.13191	31.2
211.14798	9.1
221.13239	21.4
223.14815	10.7
224.52922	5.0
225.16321	7.2
227.18272	5.2
235.14810	7.4
237.16396	9.2
239.18016	7.7
251.18094	6.8
265.19547	6.2
278.26691	4.5
312.45102	5.7
341.28253	5.6
383.29370	14.2
401.29877	24.9
408.30511	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	401.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.6
55.05500	14.7
56.96556	6.8
57.03423	12.7
57.07070	9.2
60.06701	5.6
67.05502	29.1
67.96833	4.7
68.64977	4.6
69.03415	26.7
69.07051	19.8
69.87870	32.7
71.01321	9.5
71.04983	30.8
73.02914	10.2
79.05485	27.2
81.03402	11.2
81.07050	64.9
83.04977	8.3
83.08612	7.0
85.02898	68.2
85.06529	9.0
91.05466	32.1
93.07042	56.4
95.04958	14.8
95.08576	61.8
97.02875	18.7
97.10197	5.1
99.04471	6.4
105.07018	67.8
107.04940	10.3
107.08566	40.6
108.91359	6.0
109.02866	12.8
109.06484	7.0
109.10130	47.0
115.03921	5.6
117.06999	13.4
119.08573	100.0
121.06504	8.1
121.10133	45.3
123.04411	8.8
123.08077	13.5
123.11690	19.7
125.09576	6.9
125.52068	5.1
127.03912	12.8
127.11192	25.0
128.06209	5.6
129.06982	9.0
131.08553	17.1
133.06502	7.7
133.10118	21.6
135.08008	6.0
135.11642	34.1
137.05980	14.8
137.09586	13.1
137.13260	7.8
141.06972	8.4
142.07741	13.4
143.08566	18.5
143.10587	5.7
145.10066	32.1
147.08061	6.7
147.11670	38.7
149.13277	10.0
151.03949	10.5
151.11237	8.3
155.08565	11.2
157.10124	72.4
159.08141	6.9
159.11667	60.5
161.09631	6.9
161.13263	18.2
163.11163	5.2
163.14894	7.4
167.07050	40.5
167.08322	8.2
169.10167	17.4
171.11661	30.7
173.09627	6.7
173.13280	13.5
175.07564	6.8
179.14302	8.9
181.10170	6.2
183.04330	4.9
183.11700	14.1
185.13284	7.6
189.12718	6.8
195.11693	10.9
197.13278	7.1
201.12730	11.3
201.16345	10.5
203.17972	22.9
205.08553	8.1
207.11607	17.8
208.05089	5.5
209.13266	6.3
213.12708	11.9
213.16324	5.5
217.08499	9.9
221.13269	6.8
221.19000	19.9
225.12804	12.1
233.19038	12.1
243.13895	11.3
245.19052	12.3
247.09644	5.5
251.07057	11.6
257.19067	7.1
261.14865	15.0
269.08124	6.9
307.09372	9.0
311.20123	9.0
315.08661	15.8
319.09668	5.9
323.12936	7.2
329.20959	15.7
330.10855	20.1
331.11719	8.8
341.21906	7.3
343.11774	8.3
347.22134	11.3
351.12390	12.6
358.59384	5.6
365.23145	9.2
368.12347	6.0
373.10611	8.3
383.15146	24.4
383.24442	11.8
401.10135	12.8
401.15567	12.5
401.22208	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	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.2
55.01867	17.0
55.05506	29.0
55.30235	3.3
57.03421	14.9
57.07061	11.4
58.08096	2.7
59.04986	6.9
61.02906	13.5
65.03901	2.9
66.49232	2.6
67.05494	25.3
68.99795	15.1
69.03071	5.9
69.03423	88.9
69.06715	4.9
69.07060	68.1
71.01334	8.5
71.04985	65.1
73.02910	4.7
73.06573	3.4
75.38516	3.3
77.03901	3.1
79.05482	40.8
81.03413	53.1
81.07050	100.0
83.04951	17.2
83.08610	17.1
85.02896	92.1
85.06519	4.2
87.00816	38.0
87.04416	3.3
91.05471	45.8
93.07037	73.3
95.04962	28.2
95.08598	39.3
97.02879	48.7
97.06505	10.3
99.04436	15.4
99.08036	3.3
103.03918	11.7
103.05486	3.8
105.01863	24.5
105.07015	61.1
107.04942	23.6
107.08578	65.9
109.02870	26.0
109.06504	80.7
109.10149	36.8
111.04430	10.8
111.08076	6.6
113.02253	3.2
115.03915	28.4
115.05408	3.5
116.96806	3.2
117.06995	22.4
119.04910	3.8
119.08574	55.8
121.06486	34.4
121.10130	17.6
123.04400	8.1
123.08067	25.4
123.11673	16.6
124.05203	3.3
125.02346	3.2
125.05952	8.5
125.09641	5.4
125.13277	20.2
127.03908	42.3
127.11179	9.5
128.06203	4.7
129.01819	22.0
129.05473	5.2
129.07004	14.0
130.07780	6.3
131.08559	34.3
133.06454	14.1
133.10107	16.6
134.10460	3.9
135.08023	12.1
135.11674	47.9
137.05980	10.5
137.09557	16.3
137.13255	8.7
139.11192	6.1
141.06984	6.5
142.07707	4.0
143.08589	17.6
145.04912	8.9
145.06438	9.6
145.10118	35.8
147.02875	7.0
147.08041	28.0
147.11661	16.7
149.05905	3.2
149.09613	11.8
149.13243	6.9
151.03899	9.6
151.07507	8.1
151.11188	15.6
153.05460	3.4
153.06905	4.0
153.12738	30.2
155.08513	8.5
157.06572	4.4
157.10069	7.0
158.07243	6.2
159.02882	9.2
159.08044	13.9
159.11664	18.0
161.09625	6.9
161.13243	4.0
163.11134	18.4
165.09065	5.0
165.12743	30.4
167.07025	40.7
171.02887	6.3
171.08041	13.1
173.05916	4.5
173.09605	43.4
173.13347	3.4
175.07567	15.4
175.11250	6.5
177.12718	33.6
179.10680	4.1
179.14279	3.7
181.12083	3.7
183.08026	6.0
183.11668	4.2
187.07462	6.7
189.03934	11.7
189.09099	6.5
189.12766	11.3
190.06239	4.8
191.10651	28.9
193.08565	6.9
193.12242	11.7
195.13770	30.5
197.13290	4.7
200.18524	3.1
201.03967	14.9
201.12767	11.9
205.08638	8.3
205.12215	5.4
207.10071	5.6
207.13756	7.4
208.05164	6.8
209.11829	4.1
215.14328	10.4
217.08536	8.7
219.05054	5.2
219.08128	5.3
219.10234	4.2
219.13853	17.3
221.05948	4.4
225.12769	5.6
231.04984	19.3
231.08064	4.8
231.13741	4.5
233.15286	6.5
237.14822	13.9
239.06886	4.6
243.13783	34.9
247.09660	6.9
248.08115	4.6
251.06952	3.4
254.05801	4.8
261.14883	39.9
262.09784	4.3
265.08749	3.7
269.08054	6.1
277.08353	4.3
279.15851	12.3
282.08917	5.6
297.16913	3.8
307.09656	5.2
308.10327	3.7
309.07599	3.2
315.08563	26.5
323.12704	5.4
330.10956	26.2
331.11697	5.3
336.10065	3.8
337.10583	3.7
339.11917	3.9
343.11847	6.3
347.14786	14.6
351.12036	8.1
365.15747	15.5
369.13281	4.1
383.16223	28.5
401.17029	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	401.1592
Annotation	Gomisin R
Peak:m/z	Relative Intensity
54.24046	1.7
55.05492	2.3
56.71571	1.5
67.05477	3.7
68.71259	1.6
69.03410	6.8
71.59048	1.6
71.61095	2.8
78.04697	1.7
79.05480	13.2
81.03418	3.9
81.07043	6.7
85.02892	6.6
87.00857	1.9
91.05464	7.1
93.07057	9.3
95.04952	4.6
95.08598	3.0
97.02866	2.3
97.06514	2.1
103.05436	1.8
105.07031	4.9
106.04200	2.1
107.04954	29.5
107.08583	6.2
109.06460	2.0
115.05437	5.6
116.06251	3.0
117.06987	4.3
119.08614	4.4
121.06473	2.8
121.10098	2.0
123.04430	4.9
124.05193	5.1
125.05988	3.0
127.03880	2.0
128.06210	3.1
129.01819	2.3
129.06958	6.5
131.04898	2.6
131.08588	9.4
133.06432	2.6
133.10124	4.9
135.08000	2.1
135.11679	4.1
137.05936	3.2
141.06995	6.2
144.05678	5.5
145.06476	5.9
145.10118	3.7
146.03560	1.7
147.08026	2.1
149.05992	2.0
151.07613	1.9
151.16008	1.9
152.04652	4.6
156.05669	13.6
157.06509	2.1
159.08040	11.9
161.05959	4.7
163.03928	3.5
163.11124	2.2
165.12773	2.0
167.07036	82.5
169.06441	2.7
173.05927	6.2
175.07700	1.8
177.05508	1.8
179.07048	3.0
181.08617	3.3
184.05266	3.0
186.06743	3.6
187.07538	12.3
191.07018	3.1
191.08594	2.0
197.08139	2.4
201.09096	1.9
202.06224	4.5
203.06937	2.2
204.07831	2.3
205.06760	3.0
205.08578	13.1
207.06514	5.2
208.05148	20.2
209.05743	2.0
209.07994	1.9
210.06853	2.2
215.08627	2.8
217.08533	29.3
218.07220	3.5
219.08028	9.8
219.10101	4.5
220.08815	4.6
221.05960	5.1
221.09691	2.6
226.06381	2.1
229.08574	4.1
231.08049	7.6
232.08760	2.3
233.09621	4.8
234.06792	2.2
235.07484	2.3
236.04622	9.2
236.08397	3.7
237.08917	2.0
239.06952	2.3
239.16342	2.0
239.74272	2.2
240.04141	3.8
245.09560	3.2
247.07483	11.7
247.09676	20.6
248.08401	10.5
249.05479	2.7
249.09059	2.6
251.10748	3.1
254.05644	11.3
255.06520	3.3
259.07617	3.8
261.05438	2.4
261.08936	4.2
262.09933	4.0
263.07104	2.8
263.10687	8.8
264.07736	6.9
265.08600	6.3
267.06558	7.5
268.03555	3.1
269.07999	25.3
271.05933	2.3
271.09650	7.9
272.06705	3.6
275.07040	5.4
276.07822	6.3
277.08594	4.9
278.09219	2.2
279.06592	2.6
279.09970	6.5
282.05499	3.8
282.08813	14.2
283.05887	3.5
287.09302	2.9
290.09265	4.4
291.10153	13.3
292.07187	2.8
293.08163	10.3
295.09494	1.9
299.09024	3.4
300.06082	2.7
301.07065	3.7
304.07428	2.2
305.08154	2.5
307.09698	12.7
308.10312	6.2
309.07788	2.7
309.11142	2.3
310.08313	5.1
311.12845	2.3
313.06714	1.8
315.08600	82.4
315.12314	3.9
319.09665	9.9
321.07645	4.0
321.11130	3.5
322.11752	2.1
323.09406	2.6
323.12750	13.5
324.09518	2.5
328.09445	6.6
330.10959	100.0
331.11581	11.7
336.09866	5.4
337.10696	6.7
338.07831	2.0
339.12424	12.8
343.11685	21.3
350.10965	2.2
351.12210	29.7
352.12808	4.4
353.10071	6.6
356.12378	4.3
368.12408	7.8
369.13275	3.3
371.14886	6.9
373.11075	1.8
373.16364	3.0
383.14890	75.4
401.16055	24.5
401.28549	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Gomisin R
Peak:m/z	Relative Intensity
60.39549	1.5
62.39183	1.5
62.53924	1.5
65.45972	1.5
66.44769	1.6
67.05467	1.5
69.03412	2.6
70.92867	3.2
79.05489	11.6
81.03390	1.8
81.07046	4.8
85.02897	2.4
91.05465	4.2
93.07053	2.3
95.04958	4.3
95.87180	1.8
98.52699	1.4
105.07013	2.2
107.04951	25.3
107.08593	1.9
111.08123	1.5
115.05452	3.6
116.06217	1.7
117.06984	3.0
118.66105	1.6
119.08597	1.5
121.06447	2.3
123.04407	3.2
124.05190	5.9
125.05986	2.9
128.06151	2.2
129.06970	4.4
131.04915	3.0
131.08543	5.1
137.05946	2.7
141.07010	3.3
144.05675	5.3
145.06476	6.8
151.03856	2.8
152.04662	2.1
152.92441	1.5
153.05461	2.2
156.05717	6.3
157.06552	2.7
159.08018	7.7
163.03955	2.2
165.06973	2.0
167.07030	83.0
169.06419	2.0
170.07243	1.7
173.05995	4.0
174.06732	2.1
175.07603	1.8
177.05429	2.2
181.04979	3.7
181.08588	1.9
183.06627	2.0
183.08124	1.8
184.05116	1.7
186.06821	3.1
187.07536	6.6
189.05486	1.9
189.07129	1.8
189.08937	1.8
190.06219	3.0
190.07816	1.8
191.06984	3.3
191.08557	3.3
193.08467	2.2
194.07358	2.1
195.06502	3.1
201.09143	2.1
202.06137	3.4
202.07784	3.1
203.08560	3.5
205.06686	2.2
205.08539	17.7
207.06541	4.9
208.05139	18.4
208.08778	3.7
210.06668	2.6
211.07523	3.4
215.08557	1.9
217.08549	18.6
218.07199	5.5
219.08000	12.3
219.10147	7.1
220.08769	6.0
221.05954	5.1
225.05452	2.1
229.08632	7.9
230.07170	3.1
231.08000	9.6
231.10095	3.2
232.08775	3.2
233.05930	2.9
233.09563	4.7
234.06786	3.1
235.07574	2.3
236.04671	8.6
236.08282	6.9
237.09096	2.2
239.03682	9.0
239.07245	2.5
240.04156	2.2
241.08569	2.2
245.09732	2.9
246.06660	2.0
247.07558	11.5
247.09503	10.0
248.08269	12.6
249.05382	3.4
249.09010	5.9
250.06429	2.2
251.10625	3.7
253.08578	2.0
254.05763	10.0
254.07985	1.8
255.06476	2.0
259.07574	2.7
260.08167	2.0
261.09055	5.2
262.06293	1.8
262.09924	4.6
263.07037	3.2
263.10672	10.0
264.07855	9.7
265.08539	6.6
267.06406	8.2
268.03506	3.3
269.08057	21.9
271.05682	2.7
271.09601	5.2
272.06543	2.1
275.07178	7.7
276.07681	10.7
277.08618	7.4
278.05667	2.3
278.09277	2.2
279.06641	1.7
279.10092	9.8
280.07449	1.7
280.10733	1.8
281.08090	4.5
282.05786	2.5
282.08749	16.0
283.09528	2.3
284.06772	2.2
285.07507	2.2
287.09143	2.9
290.09341	4.2
291.10132	19.6
292.07208	5.2
292.10391	1.6
293.08011	10.4
294.08835	2.9
295.09604	3.7
296.10410	2.8
297.07773	2.0
297.10815	1.9
299.09048	5.0
301.07092	2.4
304.07367	3.0
305.08029	4.0
307.06363	2.6
307.09454	10.6
308.10397	7.0
309.11066	2.5
310.08322	6.5
311.12695	3.7
313.10690	2.9
315.08578	75.6
316.09229	1.8
319.09650	9.0
320.06805	2.3
321.07831	3.1
321.11145	2.3
322.11926	1.8
323.09326	2.8
323.12778	14.2
325.10529	4.4
328.09320	5.4
330.10944	87.7
331.11597	10.8
335.09125	2.4
336.09933	5.7
337.10818	10.3
339.12149	12.5
340.13278	2.0
343.11749	25.9
351.12268	29.1
352.12964	5.6
353.10156	9.9
356.12625	3.1
358.14209	8.4
368.12589	11.9
369.13260	11.8
371.14877	8.2
383.14856	100.0
384.15268	2.7
401.11328	2.6
401.16013	40.0
401.20914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.123
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
50.09252	1.5
55.01856	3.4
55.05496	4.1
65.03952	2.1
67.05508	7.4
67.87059	1.8
69.03416	6.8
69.07049	3.9
71.04968	2.1
71.60808	3.4
73.02866	2.0
79.05482	12.2
81.03400	2.8
81.07044	10.4
83.04987	2.0
85.02881	2.9
91.05481	7.1
93.03362	2.2
93.07031	6.8
95.04974	6.1
95.08572	9.6
97.02899	1.8
99.04443	2.1
104.65748	1.8
105.07007	7.4
107.04950	10.8
107.08613	8.5
109.06487	2.8
109.10145	5.1
111.04418	3.9
111.08060	2.2
115.05454	3.6
119.04942	5.7
119.08550	4.3
121.02874	8.0
121.06528	3.5
121.10139	3.7
123.04451	3.9
123.11715	6.3
125.05973	2.7
127.03943	2.1
128.03687	2.0
128.06273	2.0
129.06993	4.2
131.04910	3.2
131.08545	4.3
133.06383	2.1
133.10124	3.5
135.11737	2.0
141.01865	2.8
144.05681	2.8
145.02779	8.9
145.06412	3.9
145.10185	3.1
147.04451	3.0
147.11679	4.1
151.03885	3.3
151.11169	3.2
156.05681	2.7
159.08028	3.4
160.82512	1.9
161.05968	3.4
163.03917	4.1
165.01756	9.3
165.06972	2.0
165.09048	2.6
167.07034	36.5
170.07188	2.6
175.03944	2.7
177.05376	2.2
179.03409	7.4
179.07001	2.2
181.05009	4.9
181.10225	1.8
183.02867	9.3
183.06447	1.9
187.07571	2.7
189.05391	2.0
189.12733	1.9
205.06677	2.0
205.08615	5.4
207.06410	3.2
208.05154	4.1
210.06673	2.4
217.08524	11.0
218.07280	2.9
219.08015	5.0
219.10031	3.3
221.19035	2.7
229.04935	4.0
232.08856	2.3
233.09547	2.9
236.04597	2.6
247.07484	3.9
247.09712	4.1
248.08325	3.1
254.05632	4.4
255.06360	2.6
261.09140	3.2
263.06876	2.7
263.10599	3.6
265.08609	5.5
267.06473	4.8
269.08099	10.0
269.11661	2.6
271.06058	25.7
271.09143	3.2
272.06570	3.4
275.07120	3.7
277.08533	2.8
279.10126	3.8
281.08026	4.0
282.08740	3.7
283.05978	100.0
284.06372	4.1
285.11200	2.5
291.10123	7.5
292.07333	2.9
293.08060	12.2
295.05933	6.3
295.09229	2.4
296.10461	2.4
297.04248	2.5
297.07523	49.6
299.08969	2.4
303.06546	5.1
305.08087	3.8
307.05969	6.7
307.09415	3.9
308.10361	2.5
309.07587	27.5
310.08124	4.7
311.09235	16.3
311.12698	2.8
315.08551	29.5
319.09540	2.9
321.07559	54.0
322.07947	2.8
323.09070	18.6
323.12769	4.0
327.08621	20.6
328.09213	2.8
330.10962	29.2
331.11606	3.6
337.10577	9.6
339.08557	38.1
339.12210	4.6
340.08963	1.8
343.11771	6.4
347.09134	5.8
351.12164	9.4
353.10098	2.7
356.12451	2.5
365.10168	41.2
366.10736	2.1
368.12656	2.9
369.13196	5.0
377.80664	2.0
383.11151	71.9
383.15118	20.3
384.11450	4.1
401.11499	21.4
401.16116	13.3
401.30612	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	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51996	0.9
53.03924	1.3
54.43345	1.0
55.01856	3.2
57.03435	25.3
61.02926	12.4
69.03072	2.1
69.03425	28.0
69.81748	8.2
71.01344	2.6
71.04996	1.4
73.02914	56.2
74.95223	1.0
81.03398	4.5
83.04955	1.3
85.02898	100.0
87.04430	3.2
91.03939	6.0
97.02885	49.4
97.03507	2.5
98.20782	1.5
99.04444	3.9
103.03923	2.6
109.02871	8.1
115.03926	29.8
127.03911	31.2
132.06512	1.8
133.04948	13.2
145.04947	62.0
150.07622	3.4
163.04706	2.2
163.06006	35.1
223.05957	3.7
238.46960	1.2
241.07210	6.5
251.14952	7.9
259.08130	4.0
290.35962	1.4
295.10150	3.9
363.72525	1.3
401.09927	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.09347	1.1
55.01855	2.6
57.03435	32.1
59.04976	1.2
61.02924	12.8
67.05505	1.2
68.19800	0.8
69.03423	31.7
69.36949	1.4
69.37350	8.7
71.01331	2.6
71.04987	1.9
73.02914	64.5
79.05464	1.3
81.03419	4.9
81.07037	2.3
83.04944	2.6
85.02901	100.0
86.03232	1.4
87.04454	3.9
91.03966	6.2
91.05429	1.1
95.04948	1.6
95.08612	1.4
97.02888	48.3
98.20782	1.9
99.04467	5.1
103.03940	1.2
105.07031	1.9
107.08637	1.0
109.02868	7.1
109.10130	1.4
111.04393	1.3
111.08080	1.5
115.03918	33.1
121.10123	1.4
123.07969	0.9
127.03911	30.3
127.07568	1.1
132.06543	2.8
133.04956	11.0
135.54684	0.9
143.02029	1.4
145.04950	60.9
146.05211	1.6
150.07608	3.6
153.09048	2.7
161.02945	2.4
163.06006	29.8
163.14809	1.1
167.07016	1.5
175.14725	1.0
178.05237	1.0
181.06934	1.1
187.11156	0.9
193.04892	1.3
205.59056	1.5
223.05939	2.5
223.13246	1.0
241.07007	4.4
251.12688	1.5
251.14970	6.2
259.08115	4.1
295.10159	4.0
400.10257	1.3
401.18164	4.5
408.16519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01866	1.5
57.03436	24.4
61.02922	13.5
69.03425	33.4
71.01361	2.2
71.04977	2.3
71.08626	1.3
71.10116	2.7
71.10448	1.6
72.04494	1.7
73.02916	61.6
75.46159	1.3
78.39842	1.1
79.05486	2.1
81.03384	5.7
81.07042	1.5
83.04941	1.3
85.02901	100.0
87.04463	1.8
91.03958	4.4
93.75197	1.1
95.08586	1.9
97.02886	53.6
99.04452	4.5
103.03954	1.7
105.07039	2.3
109.02911	7.1
109.06517	1.5
109.39291	1.3
111.04377	1.3
115.03924	33.3
119.08601	1.7
121.06494	1.1
123.04453	2.4
127.03911	38.3
132.06630	1.9
133.04951	13.2
145.04950	62.3
147.11691	2.5
150.07608	2.7
151.03928	1.4
163.06007	43.5
165.12675	1.4
167.07140	1.4
181.04999	1.4
181.07042	1.3
184.82925	1.1
189.12587	1.6
207.13808	1.4
223.05997	4.7
241.07076	6.3
251.14906	9.9
259.08069	6.2
274.11765	1.5
295.10263	4.7
337.10928	1.5
368.13239	11.8
383.15274	1.8
400.15350	1.6
401.14145	5.8
411.16776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.10216	1.2
55.01868	7.3
57.03432	12.8
57.66885	1.6
59.04995	2.9
61.02924	15.8
69.03069	2.2
69.03424	29.4
69.07058	1.3
70.03782	1.4
70.06603	1.6
71.01359	3.9
71.04984	2.8
71.08589	1.7
71.61022	1.3
73.02913	73.4
75.31776	1.3
79.05526	2.1
79.43554	1.5
81.03425	6.8
83.04955	1.6
85.02899	100.0
87.04464	4.5
91.03979	4.0
91.05475	16.0
93.07004	2.8
95.04990	1.4
97.02887	57.7
98.06059	2.6
99.04465	5.2
103.03954	4.7
105.07054	3.5
107.04967	3.6
107.25622	1.2
109.02865	9.4
115.03931	29.1
119.08564	2.0
127.03913	40.1
131.08563	1.6
133.04959	42.2
133.10147	2.4
135.04433	1.7
135.11638	1.4
137.05991	1.7
137.09567	1.5
145.04955	54.8
145.10103	1.6
150.07635	3.1
152.07028	1.5
154.04994	1.6
163.06009	28.3
165.09100	1.8
167.07042	3.2
169.04961	1.3
175.14767	2.0
181.04913	2.6
186.55077	1.5
193.04938	2.7
196.13414	1.3
217.07018	2.5
223.06049	8.9
231.17171	1.4
238.10992	2.0
241.07089	9.6
251.14883	6.4
258.07895	2.1
259.08112	15.0
259.10461	1.9
277.09140	2.5
295.10254	5.3
315.08249	1.7
330.11087	1.7
383.15063	1.9
400.16592	35.7
400.21970	2.3
401.17938	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58131	0.7
55.05504	0.9
56.96564	6.0
57.07065	0.8
57.42165	0.8
57.43225	0.8
67.05492	0.8
69.90261	4.4
71.08609	0.8
78.97526	0.7
81.07037	3.1
83.04964	0.9
91.05428	1.0
93.07041	2.2
95.08584	2.0
101.06000	0.8
105.07000	1.3
107.08567	1.7
109.10143	1.0
119.08582	1.4
121.10155	1.8
123.11693	0.9
129.05501	0.9
133.10138	1.1
135.11633	1.2
145.10039	1.0
147.11589	1.5
171.99142	1.5
190.00262	5.2
205.92267	0.8
208.01239	1.2
220.98114	1.6
234.04408	1.0
238.99232	6.1
245.97711	1.8
252.05397	1.3
253.02005	2.5
260.00613	1.2
262.02045	1.9
263.98764	5.7
269.00497	1.5
278.01675	4.3
280.03159	12.8
281.99890	1.8
282.98151	0.9
287.01459	2.4
293.99722	1.3
296.02509	2.5
298.04105	6.2
303.04776	1.7
304.01834	1.3
305.02658	22.8
306.00937	5.9
317.02661	3.4
317.99792	0.8
323.03708	37.1
324.02048	22.2
325.02478	1.0
328.04147	2.5
335.03668	13.3
336.00854	2.1
346.05273	3.7
347.03802	2.3
349.04977	0.9
358.05441	1.5
359.03690	26.6
376.05936	0.9
376.57407	1.1
377.04770	100.0
378.05063	4.9
395.05771	3.5
400.06305	24.9
401.06345	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3257
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
54.47186	0.7
55.05513	3.9
57.07065	2.8
66.20942	0.6
67.05501	5.6
69.03436	1.4
69.07072	4.9
69.67207	5.6
71.08625	2.0
79.05488	3.2
81.07055	14.7
83.04987	0.9
83.08612	2.4
85.06529	1.0
89.41822	0.7
91.05492	2.8
93.07045	11.1
95.08602	21.1
97.06518	1.1
97.10168	1.8
101.06022	1.2
102.66573	0.7
105.07030	9.4
107.08591	18.3
109.06529	3.1
109.10158	13.1
117.07016	1.8
119.08584	13.3
121.06520	3.0
121.10145	13.3
123.08095	2.0
123.11697	7.3
129.07007	0.8
131.08575	4.1
133.10123	10.4
135.08075	2.0
135.10680	0.9
135.11694	15.1
136.12068	0.8
136.51634	0.7
137.13258	2.5
144.09369	1.1
145.10120	6.2
147.06573	1.3
147.08026	1.2
147.11691	9.6
147.12769	1.0
149.13264	8.7
151.11244	1.7
157.10150	1.8
159.11697	13.2
161.13290	4.7
163.11241	1.6
163.14828	3.3
165.12819	0.8
171.11713	1.6
173.13271	3.6
175.11240	1.2
175.14857	2.4
177.12755	15.8
177.14232	1.2
177.16428	1.8
185.13318	1.3
185.40399	0.7
187.14845	1.7
189.12743	1.7
189.16412	2.9
191.10675	1.5
191.14282	4.7
191.17934	11.9
199.14719	1.1
201.12871	0.8
201.16441	2.7
203.14337	1.5
203.17940	5.1
205.19698	0.9
209.15521	0.9
213.16396	0.9
215.18060	1.5
217.15794	1.0
217.19603	2.2
227.18048	0.9
231.21199	0.9
241.19411	1.1
245.19055	2.8
247.21046	0.6
251.20952	0.7
311.23749	0.9
363.30231	1.1
363.80878	0.7
381.31616	15.1
382.32022	1.6
399.32626	100.0
400.32965	7.1
400.37949	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.5
57.07061	7.4
65.03915	4.8
67.05502	22.1
67.19510	2.9
69.07068	21.4
70.16801	16.6
71.08603	4.8
79.05487	12.1
81.07053	52.8
83.04970	5.4
83.08602	10.0
85.06544	3.8
85.10197	5.5
87.02438	3.1
91.05477	10.7
93.07037	46.5
95.04926	3.7
95.08605	100.0
96.08947	4.2
97.10178	6.6
98.21448	3.7
101.06015	7.6
105.07025	28.7
107.08590	59.5
109.06543	5.2
109.10153	50.2
119.08572	38.9
121.10139	61.6
123.11679	13.1
129.05426	4.5
131.08575	7.5
133.10112	30.2
135.08028	6.2
135.11699	69.5
137.09674	3.9
137.13243	3.5
139.81425	3.1
145.10117	6.1
147.06491	3.5
147.11661	35.5
149.13249	30.5
157.10254	3.2
159.11685	11.8
161.13252	13.7
163.11110	4.5
163.14816	15.7
163.16006	3.6
165.96111	3.5
167.08585	9.3
171.11678	3.4
172.05246	3.9
173.13237	6.7
175.14825	9.0
177.12741	14.0
179.00415	3.2
181.12247	8.1
187.14757	3.2
189.16399	12.8
191.14392	8.4
191.17943	78.7
192.18277	5.9
193.12097	3.5
195.08078	26.9
195.13794	23.8
197.09602	6.8
199.14792	3.4
201.16295	4.1
203.17928	24.6
205.19511	7.6
206.78250	3.2
207.13766	16.5
209.15356	23.4
213.09102	12.5
217.19534	23.8
221.09508	5.6
221.15331	4.4
235.16771	4.8
279.17465	6.8
289.21622	4.5
294.57095	3.3
307.16934	8.0
325.17923	8.4
399.21698	7.9
399.32718	63.5
400.33057	6.3
400.37845	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13622	0.5
55.01878	3.7
55.05513	8.9
57.03438	7.0
67.05510	3.9
69.03418	1.2
69.07047	3.5
69.49677	1.2
69.50081	4.7
71.04999	0.8
71.08634	0.9
73.02916	0.7
78.60812	0.7
79.05505	3.3
81.07057	7.1
83.04989	1.5
83.08631	2.7
85.02926	1.0
85.06560	0.8
85.49059	0.6
91.05501	2.3
93.07051	3.5
95.04994	1.8
95.08612	4.1
97.02905	0.6
97.06560	0.6
97.10167	2.2
101.06015	0.8
105.07023	2.8
107.04938	0.9
107.08604	2.8
109.02860	0.6
109.06522	0.7
109.10161	2.2
111.00795	1.4
111.04456	0.7
111.08058	1.0
115.03867	0.6
115.05398	0.7
117.07014	0.9
119.08600	2.2
121.06516	0.9
121.10140	4.1
123.04494	0.6
123.08066	0.8
123.11678	1.5
125.09618	1.7
128.06187	1.1
129.05484	2.2
129.07010	1.0
130.13884	0.6
131.04938	0.8
131.08595	1.1
133.10127	1.4
135.08037	0.8
135.11696	1.1
137.05971	1.2
141.07008	2.0
143.08548	1.3
144.05699	1.3
145.06474	1.6
145.10130	0.9
147.06462	1.3
147.11713	2.1
149.09618	1.6
152.06201	4.4
153.06966	4.3
154.07774	1.1
155.08568	2.6
156.05684	1.8
157.06487	1.5
157.10146	1.1
159.08052	0.8
159.11676	1.3
160.05199	1.3
161.13303	0.7
165.06995	5.1
165.12772	1.1
166.07794	1.9
167.07077	1.7
167.08545	16.3
168.05673	1.8
169.06487	2.2
169.10126	1.9
171.02927	1.5
171.08073	1.3
171.11618	0.8
172.05200	14.1
173.05992	13.0
173.09502	0.8
173.13321	1.0
174.06758	3.2
176.06393	0.8
177.06953	1.0
178.07813	1.1
179.08545	4.2
181.04977	0.5
181.06467	14.6
181.10112	2.3
182.07263	4.5
183.08058	7.2
185.05989	3.7
185.09575	1.3
186.06792	5.7
191.08554	1.1
193.06598	0.7
193.10194	1.2
194.07289	7.9
195.08049	100.0
196.08492	3.5
197.06041	1.2
197.09616	12.7
197.13164	0.9
198.06783	2.0
199.07518	5.7
199.77550	0.6
200.08366	0.9
205.10158	1.7
207.08047	2.9
208.08795	0.9
209.09610	7.2
211.07474	1.6
211.11134	1.3
212.08269	1.2
213.09105	22.8
219.08028	2.0
219.11671	0.7
220.08826	0.6
221.09645	9.8
223.11224	5.2
227.10608	0.9
233.09546	2.2
235.11169	2.4
237.12679	1.6
239.10722	1.0
247.11185	2.2
248.11713	0.7
251.10634	1.2
256.14572	12.7
261.16061	0.8
263.14301	1.2
279.17422	13.1
280.17844	0.8
284.14087	10.6
289.15906	8.4
297.18509	0.8
302.15189	4.5
307.16919	64.1
308.17282	2.9
309.18396	1.5
317.18979	0.8
321.18405	1.7
325.17978	18.6
326.18164	1.0
333.18542	3.0
334.37674	0.6
337.17752	0.9
339.19223	0.8
340.16626	2.3
343.19031	0.8
345.18448	1.4
351.19598	1.6
358.17679	12.0
363.19492	5.8
379.49854	0.6
381.20526	12.1
381.27737	1.1
382.20724	1.1
399.10645	1.1
399.21530	21.6
399.27521	1.2
399.28943	1.4
400.22073	0.6
408.36337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1624
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
54.00588	0.3
55.05505	0.4
60.93201	0.3
63.37839	0.3
67.05474	0.3
69.03422	0.5
69.24413	0.3
70.06569	0.7
70.52379	0.3
71.00161	0.8
71.08618	0.4
71.23473	0.3
71.60219	0.3
71.68994	0.3
77.19735	0.3
81.03393	0.4
81.07059	0.7
85.02887	1.0
88.23539	0.3
91.05467	0.5
93.07073	0.4
97.02867	0.3
105.07011	0.5
107.08591	0.4
109.10107	0.5
119.08571	0.5
121.10188	0.5
137.05946	0.5
147.04301	0.3
151.03853	0.6
169.64554	0.3
219.10086	0.4
237.10971	5.3
279.12100	0.4
383.45828	0.4
399.16223	100.0
400.16534	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	399.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80396	2.6
55.01859	4.4
55.05495	3.2
56.96557	6.1
57.03437	23.1
57.07053	5.1
60.04516	4.8
61.02917	15.0
61.35686	2.7
67.05500	3.8
69.03416	27.7
69.07069	24.6
70.56842	8.6
70.57176	3.1
71.01341	3.0
71.05000	3.8
71.08641	5.7
73.02906	27.5
79.05494	5.3
81.03414	7.9
81.07039	3.1
83.05021	3.1
84.08125	3.8
85.02898	100.0
85.10177	3.5
86.78639	2.9
87.04472	4.2
87.08102	38.6
88.03974	9.4
89.03908	3.4
91.03976	3.7
91.05456	5.8
95.04945	3.7
95.08627	3.6
97.02892	47.1
97.06539	3.1
98.20857	3.4
98.97582	10.7
99.04430	5.6
101.06037	7.2
103.05421	4.3
105.07039	26.6
105.09126	3.0
107.08585	4.1
107.50478	3.6
109.02862	9.1
110.07173	12.2
111.04417	5.5
115.03924	14.2
115.05431	5.2
115.89700	2.8
116.98619	9.7
117.03432	4.2
118.04217	3.6
120.08126	3.6
127.03922	29.7
129.05469	7.6
130.60139	3.1
131.04886	4.4
133.04967	5.9
133.06500	25.3
134.99654	4.8
137.06023	5.1
145.02838	9.9
145.04955	42.0
146.99597	3.4
147.04417	6.6
149.05966	3.5
161.05972	41.8
163.06012	13.1
167.06999	6.7
167.15842	2.9
175.03932	5.2
175.07480	3.2
177.00690	7.3
177.05438	14.4
181.04922	3.3
183.10114	6.5
193.08585	29.3
197.08061	6.3
219.06628	4.2
231.06560	5.8
231.12059	4.8
233.08118	5.0
237.02765	9.1
237.07448	4.9
241.07175	4.1
267.14471	7.4
269.11484	3.0
289.06805	3.5
319.08334	3.4
344.38333	3.6
355.66425	3.0
358.08115	7.3
399.16522	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	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05496	0.6
56.96563	3.5
57.03431	1.0
57.07052	0.5
61.02912	1.8
66.72053	0.5
68.65090	0.5
69.03436	2.9
69.07045	0.6
70.06602	0.9
71.08599	0.9
71.61423	0.9
73.02905	2.2
76.55325	0.5
81.03406	1.4
81.07065	0.9
83.04967	0.5
84.08159	0.7
84.96033	1.0
85.02891	5.6
85.10188	0.7
86.03258	0.6
87.04456	1.3
91.05486	0.9
95.21436	0.6
97.02886	4.3
97.06506	1.3
98.97574	5.4
99.04443	0.9
101.06016	0.9
102.05548	0.6
110.97530	0.6
116.98610	4.0
117.03375	0.5
119.01896	0.6
119.04916	0.5
122.02667	1.0
122.07149	0.6
127.03905	2.2
128.98599	2.0
131.01944	0.6
134.99619	2.4
136.06221	0.7
137.05997	2.1
140.07170	0.7
145.04955	1.1
146.99641	1.6
147.04411	1.3
147.06514	0.8
149.01254	0.6
155.04561	1.5
158.99663	1.8
161.01280	1.2
161.02875	0.8
164.05141	1.0
164.55379	0.6
165.00690	0.8
166.55484	0.6
170.99574	0.5
177.00755	2.8
177.05568	1.4
189.00731	0.9
201.00844	0.7
201.61879	0.6
203.02284	0.9
207.06496	0.7
219.01709	2.8
227.06677	0.8
237.02858	6.9
244.04309	0.9
245.05008	0.6
247.06084	1.2
255.03877	0.5
263.04422	0.5
272.10220	1.4
272.60394	1.7
273.06448	0.7
309.08521	0.6
321.08023	0.6
339.07236	2.7
348.06741	1.1
357.09268	0.6
359.02011	0.5
363.09332	0.6
381.10983	1.5
394.00031	0.6
399.12616	100.0
400.12936	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	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.96555	0.6
57.03428	0.7
57.07064	0.4
61.02898	0.9
69.03425	1.2
71.04978	0.4
71.08617	0.5
71.58409	0.6
72.13786	0.4
73.02912	1.0
81.03397	0.6
81.07006	0.4
82.63719	0.3
85.02900	2.6
85.10163	0.6
87.08044	0.4
89.06020	0.5
91.44951	0.3
97.02892	1.5
97.06533	0.3
98.97568	1.0
101.06002	0.5
105.07050	0.4
107.04938	0.4
109.02885	0.5
111.04414	0.7
115.03889	0.5
116.98640	0.3
119.04965	0.5
127.03930	0.9
128.04245	0.3
128.98653	0.4
129.05453	0.4
134.99675	0.4
136.06184	4.6
137.05962	0.8
138.05458	0.4
140.07092	0.6
145.04955	0.4
147.04393	0.8
147.06546	0.5
158.99666	0.4
161.05946	0.5
167.07030	0.4
177.05449	0.4
179.07056	0.4
193.08623	0.6
196.59583	0.4
197.63391	0.3
200.09230	0.4
207.06560	0.8
212.06299	0.9
237.02818	1.0
237.07497	0.6
238.10997	0.5
268.10175	0.5
399.12610	100.0
400.12808	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	15.8
70.69627	0.6
71.06557	1.0
71.06912	1.4
71.95253	2.2
74.64425	0.7
97.02909	0.7
98.97575	48.3
99.97899	0.8
116.98613	62.4
119.01927	9.3
119.02707	1.4
120.01955	0.9
121.01654	1.2
134.99649	75.6
136.00041	0.8
137.02946	6.8
139.02673	1.0
140.00175	1.8
142.03477	1.9
147.06435	0.8
153.00710	19.3
157.15359	0.8
158.01263	3.9
160.04562	1.3
172.94292	1.0
176.02341	0.8
177.00929	3.9
178.01045	1.4
179.00731	1.0
190.95360	5.4
208.96446	2.3
214.95461	1.2
219.02077	3.4
221.01993	0.8
230.93314	1.7
232.96399	7.5
234.99799	1.7
250.97508	7.1
256.96429	16.9
257.96719	1.3
258.96747	1.5
258.99817	5.8
261.03055	8.0
262.03110	1.8
263.02969	1.5
272.94443	4.5
274.97501	100.0
275.97760	2.7
276.97720	1.4
277.00842	11.5
278.01065	1.5
282.99991	8.4
288.92322	1.0
290.95511	3.2
292.98538	84.1
293.98569	1.1
297.99045	9.0
298.97647	3.6
300.97784	0.5
301.01019	14.5
302.01108	2.7
310.99634	1.6
314.95618	2.3
316.00128	6.7
316.98755	11.1
317.98944	1.9
318.98621	1.6
324.02780	0.9
332.96790	2.0
345.90805	0.8
353.25183	0.8
356.98401	1.2
357.24249	0.9
366.59113	1.9
366.91846	1.6
370.91443	2.0
371.88892	1.0
372.58859	1.1
372.94290	1.1
373.25385	1.1
373.91626	2.2
374.59705	1.0
374.99243	6.0
375.25449	1.1
375.91919	1.2
376.90533	1.3
378.22177	1.1
379.89774	2.1
380.59174	2.4
380.92694	1.3
380.96805	3.6
381.93149	3.1
382.43436	1.0
382.93130	1.1
385.89963	1.4
386.23688	1.0
388.88257	0.9
392.94223	0.9
393.37689	0.9
393.88354	1.3
394.91370	9.1
395.92468	0.9
398.97992	17.1
399.97928	1.8
410.89038	1.5
411.89545	1.5
412.92886	1.6
416.95181	3.1
416.99173	3.1
417.92960	2.5
421.99283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99157	1.4
53.03945	1.5
55.01858	1.7
55.08357	1.3
56.60409	1.4
57.03436	36.9
61.02924	13.3
69.03072	2.6
69.03429	34.3
69.07067	58.3
70.24900	2.8
70.25292	4.2
71.01350	4.0
73.02915	79.6
79.45119	1.4
81.03407	4.4
81.84620	1.9
85.02902	100.0
87.04457	4.0
89.00357	1.4
91.03946	5.4
93.07044	1.9
95.08578	1.8
97.02888	62.2
99.04438	4.5
101.02375	2.0
109.02887	8.6
111.08097	3.4
115.03925	47.9
127.03911	32.0
132.06549	3.4
133.04964	13.3
137.09586	1.8
145.04948	41.8
150.07610	2.9
163.06021	37.3
165.09164	1.6
174.18065	1.7
194.15424	2.1
213.11264	1.8
223.05977	5.1
231.12392	2.9
241.07077	8.6
259.08167	9.4
272.44406	1.8
295.10178	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	6.7
55.05480	1.5
57.03436	15.3
59.04977	1.6
61.02927	10.1
62.07800	1.5
67.05480	1.4
69.03078	1.9
69.03424	27.1
69.07064	48.8
71.01341	3.5
71.04984	2.4
71.33749	3.1
72.04526	1.4
72.22709	1.5
73.02915	28.2
76.88334	1.2
81.03397	3.9
81.07044	1.8
83.04958	1.3
85.02898	100.0
86.03165	1.5
87.04466	3.6
91.03938	6.8
93.07031	2.2
95.08591	3.6
97.02884	36.0
98.97585	1.8
99.04426	4.2
103.03931	4.9
105.06992	1.7
107.08580	2.0
109.02888	7.9
111.08064	2.2
113.02357	2.5
115.03930	17.8
121.10136	1.6
123.08058	1.5
127.03909	31.9
132.06548	1.6
133.04955	24.1
135.08098	1.5
136.06171	5.4
145.04947	53.1
150.07622	3.0
162.07732	11.8
163.04706	2.6
163.06010	39.5
163.07408	3.0
167.07117	2.4
175.26489	1.5
183.10156	4.2
188.05682	11.6
201.11214	4.9
206.06694	6.5
213.05820	1.6
213.11218	3.9
220.08157	2.6
223.06068	2.6
231.12181	3.3
241.06970	4.4
259.08023	5.1
266.08820	31.9
267.09076	2.4
295.10126	3.6
398.13419	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	397.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21814	1.7
55.05504	13.5
57.07073	18.6
67.05500	28.0
69.07067	25.5
71.08625	16.3
71.31512	3.4
79.05486	16.1
81.07054	60.3
81.54395	1.7
83.08611	17.6
85.10172	11.0
91.05473	15.3
93.07034	27.4
95.08598	49.0
97.10172	13.4
105.07026	34.3
107.08589	25.3
109.10156	38.5
109.10899	2.2
110.07127	2.1
111.11714	7.7
119.08574	26.0
121.10147	20.7
123.11694	13.7
129.92810	2.3
131.08597	3.4
133.10126	18.3
135.11676	35.4
137.13258	3.4
145.10132	5.5
147.11679	56.3
149.13257	16.9
151.14857	3.9
159.11690	4.8
161.13229	42.3
163.14838	6.4
170.18266	1.7
173.13321	4.2
175.14825	17.0
177.16434	2.2
187.14896	3.1
189.16359	9.3
201.16368	6.3
203.17969	7.1
215.17905	10.3
217.19547	3.9
229.19458	4.9
243.21034	6.7
247.24304	2.0
256.09033	1.8
257.22684	5.3
261.25742	4.0
287.27258	3.7
315.30688	3.4
397.38281	100.0
398.38416	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.3
57.10708	0.5
67.05489	1.8
69.03425	1.6
69.07046	2.1
70.52333	0.5
70.52682	1.5
71.04971	1.2
79.05472	1.7
81.03414	1.1
81.07050	4.3
83.04973	1.1
83.08611	1.1
85.02886	2.0
85.06565	0.5
89.15393	0.5
91.05461	1.9
91.06000	0.5
93.07037	3.7
95.04959	1.0
95.08598	3.3
97.02881	0.9
97.06527	0.7
97.10147	0.4
99.04414	0.6
105.07020	2.9
107.08585	3.0
109.02876	0.8
109.06500	1.1
109.10162	3.7
116.98643	0.8
117.07049	0.8
117.96212	0.6
119.04939	0.5
119.08561	2.5
121.06509	1.0
121.10123	2.3
123.08037	0.7
123.11696	0.9
127.03886	0.9
128.06209	0.5
131.08580	1.3
133.02829	0.7
133.10118	1.9
135.08060	0.8
135.11688	1.4
137.05984	3.6
137.13303	0.5
139.03897	1.5
143.08563	0.8
144.05614	0.6
145.10114	1.2
145.32961	0.5
147.08005	1.3
147.11646	1.2
149.13216	0.9
151.07559	0.6
157.10120	0.7
158.18762	0.5
159.08125	0.5
159.11685	0.8
161.05945	0.7
161.09616	1.7
161.13237	0.5
173.09700	0.7
175.14830	0.7
177.05298	0.5
179.06987	0.6
187.07529	0.8
189.16391	0.6
191.06999	0.7
207.11855	0.5
217.12279	0.6
217.15895	1.6
229.08611	0.6
235.16948	0.7
248.50166	0.5
259.09167	0.6
271.06021	1.8
273.11218	1.4
277.25363	1.3
297.03995	0.5
305.24802	1.0
309.03995	0.5
327.05109	1.3
335.25534	33.0
336.25909	0.9
337.22476	1.6
375.38135	0.5
379.15479	0.8
379.24518	1.6
397.16797	5.1
397.25592	100.0
398.17212	0.6
398.26028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2558
Annotation	His Lys Leu
Peak:m/z	Relative Intensity
55.05505	1.3
55.16179	0.6
56.96558	1.3
60.49383	0.6
61.77318	0.7
62.33957	0.5
67.05489	1.2
67.70441	0.6
69.03420	1.8
69.07050	1.4
70.09083	1.7
70.09486	1.1
71.04974	0.9
79.05485	1.2
81.03412	1.1
81.07036	3.5
83.08640	0.9
83.86166	0.5
85.02913	1.3
88.98438	0.6
90.76590	0.6
91.05464	1.8
93.07055	1.9
95.04978	0.9
95.08600	2.8
97.02843	0.8
102.44485	0.7
105.07010	2.0
107.04949	0.8
107.08582	1.8
109.02874	0.9
109.06495	0.9
109.10155	2.2
119.08569	1.8
121.06440	0.7
121.10235	1.1
131.08614	1.4
133.10124	2.0
135.11644	1.2
137.05989	3.6
143.08658	0.9
145.10104	1.1
147.04405	0.8
147.11649	1.5
149.09625	1.0
151.11179	0.7
157.10201	0.8
159.11707	1.3
161.05980	1.0
161.09634	1.0
165.12706	0.8
175.14844	0.7
183.65106	0.6
185.13150	0.8
187.07477	0.6
217.16019	1.1
235.16850	1.0
273.11166	1.2
335.25516	33.8
336.25906	0.7
337.22400	0.9
344.56525	0.8
351.08524	0.6
379.15610	0.6
379.24130	1.4
397.16739	4.3
397.25580	100.0
398.25900	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	1.6
55.05513	5.5
56.71020	1.2
57.03441	2.8
57.07064	1.0
59.05017	1.2
67.05498	6.8
69.03423	4.3
69.07079	5.4
71.04966	2.1
75.39720	1.1
79.05502	12.8
81.03410	6.0
81.07063	12.9
82.06565	1.2
83.04983	3.6
83.08600	1.4
85.02907	4.0
85.06538	2.1
91.05480	12.4
93.07044	17.8
95.04973	6.2
95.05908	1.1
95.08620	6.6
97.02885	1.7
97.06524	3.0
98.20695	2.3
99.04451	2.1
100.11241	6.5
103.05501	1.3
103.79082	1.0
105.07027	27.1
107.04947	9.9
107.08591	10.4
109.02871	8.1
109.06510	3.4
109.10165	8.6
117.07005	3.0
118.64415	1.0
119.04882	1.6
119.08556	7.6
121.06496	4.9
121.10145	6.3
123.08035	1.8
123.11697	1.1
125.06013	1.5
125.09617	4.3
127.03888	3.9
129.06969	2.7
131.08545	5.3
133.02826	1.4
133.10132	100.0
134.10481	2.6
135.08057	2.6
135.11703	2.3
137.05988	15.4
137.09608	7.7
139.07491	2.5
142.07733	1.8
143.08542	2.6
145.10121	3.6
147.08029	2.1
147.11691	7.5
149.05997	1.2
149.09604	2.8
149.13226	1.5
151.07558	2.9
151.11165	1.3
157.10121	1.9
159.11694	2.5
161.05974	1.7
161.09602	9.0
163.11227	2.4
165.06995	1.7
165.12769	1.7
167.07005	1.8
169.08647	1.5
171.11723	2.3
173.13242	1.8
175.07539	1.9
175.11235	4.6
175.14777	3.1
185.09572	1.5
187.07452	1.2
189.09158	1.5
189.12698	1.9
191.14371	1.5
193.12233	2.8
199.11310	1.4
199.14795	2.4
210.14888	2.8
211.13257	1.4
213.08992	1.8
217.08640	1.3
217.12273	3.7
217.15831	12.9
225.09142	1.8
235.13235	3.6
235.16968	4.8
243.10291	3.0
253.14328	2.2
273.11270	5.4
287.06931	1.5
293.08334	1.3
316.30078	1.1
321.10797	1.4
332.11050	1.4
335.12625	1.3
335.25571	1.3
337.22351	1.2
353.13943	1.6
354.14410	1.6
379.15408	3.3
396.80243	1.4
397.08789	2.4
397.16608	20.7
397.25757	2.3
397.30331	2.4
398.16971	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02964	1.4
53.03919	5.1
55.01856	3.3
55.05485	5.1
56.96552	3.4
57.03421	2.3
57.07048	1.8
61.02891	1.7
65.03933	1.9
67.05505	10.5
69.03426	13.6
69.07069	8.7
69.69876	11.3
71.04961	5.2
73.02885	2.9
79.05130	1.2
79.05489	12.7
81.02979	2.1
81.03413	31.2
81.06651	1.7
81.07051	22.1
81.53770	1.3
83.04969	12.1
84.42520	1.3
85.02921	9.4
85.06503	4.8
91.05478	18.1
93.07032	24.5
94.04163	2.5
95.04963	13.1
95.08067	1.2
95.08607	16.7
97.02850	3.9
97.06540	12.4
98.97585	2.3
99.04456	9.5
103.05437	4.9
105.07026	21.7
107.04910	6.6
107.08588	16.6
109.02879	69.4
109.06507	13.0
109.10180	7.7
111.04416	4.4
111.08073	8.2
113.05984	2.7
115.05431	2.4
116.98605	2.1
117.03325	2.1
117.06973	3.4
119.01851	2.7
119.04931	9.1
119.08573	14.8
121.06502	26.9
121.10096	5.8
121.88525	1.3
122.03559	5.1
123.04398	4.3
123.08075	3.8
123.11664	4.2
125.05961	5.3
127.03925	9.0
127.07499	5.6
128.06146	3.8
129.06995	6.9
131.04889	4.1
131.08566	8.6
133.02788	4.8
133.06468	3.8
133.10130	10.0
135.04384	4.0
135.08046	7.2
135.11620	4.4
137.05974	78.5
137.09549	1.4
139.07486	5.8
141.06917	4.1
142.07808	3.0
143.06979	6.5
143.08508	3.6
144.05609	2.1
145.04881	2.0
145.06415	3.9
145.10136	6.8
145.75925	1.7
147.04378	3.7
147.08003	6.2
147.10643	1.8
147.11693	20.4
149.05977	10.1
149.09547	1.6
149.13141	1.7
150.06636	1.5
151.03827	1.9
151.07516	12.5
151.11142	2.7
153.05476	2.8
153.06972	3.5
153.09082	1.7
155.08511	2.2
156.09355	1.9
157.06439	4.8
157.08557	2.5
157.10059	8.0
158.07208	3.9
159.06526	2.7
159.08014	8.4
159.11720	2.2
161.05991	15.1
161.09538	5.4
161.13239	3.8
163.07500	3.1
163.11131	3.5
165.06932	3.4
165.12733	8.3
166.07744	1.5
166.60808	1.5
167.07048	2.7
167.08481	2.2
167.14203	1.5
169.06458	2.5
169.08586	3.6
169.09964	2.7
169.12149	4.7
170.07335	2.7
171.07979	4.2
171.11627	4.8
172.08879	1.9
173.09576	5.8
173.13202	1.4
175.07463	6.5
175.11188	13.3
175.14815	1.7
177.05502	2.1
177.09048	3.8
179.08504	1.7
181.10092	2.8
182.07237	4.7
183.08028	2.7
184.05124	2.1
184.08739	2.1
185.09669	8.8
187.07579	7.1
187.11084	3.6
189.09064	4.1
189.12732	12.5
191.06958	6.7
191.10530	2.1
193.06573	2.0
193.12213	14.6
194.07120	1.9
195.08018	3.1
197.01189	4.1
197.05934	1.7
197.09615	8.9
198.06703	12.9
199.07544	6.7
199.11198	10.1
200.08226	2.1
201.09010	5.1
202.07774	2.0
203.06923	1.9
205.08543	2.1
207.13884	7.2
209.11595	2.0
210.06618	3.1
211.07414	2.3
211.13216	12.5
212.08293	3.6
213.09109	20.8
215.08675	2.9
215.10608	6.6
217.08511	2.6
217.10214	1.9
217.12192	26.8
219.09932	1.9
221.04892	1.5
225.09123	8.6
229.08353	2.0
229.12230	2.0
229.14384	3.7
231.07939	3.2
233.09482	1.9
235.13278	25.9
235.16937	4.9
237.02856	3.5
237.11095	1.7
242.09286	2.4
243.08043	1.5
243.10167	17.0
245.09531	2.7
245.11781	3.0
249.09152	1.9
251.12683	2.5
253.14441	16.3
255.10030	4.4
257.09561	2.6
258.07440	5.6
258.10172	1.9
259.07425	2.3
261.09024	4.6
262.09692	1.6
263.06906	1.7
264.07791	1.9
265.08578	1.8
265.12964	2.1
271.07404	3.6
271.13510	1.9
273.11264	51.5
275.10458	2.7
277.08499	4.5
277.12115	1.8
278.09393	1.8
279.10165	1.7
283.05872	2.0
287.10617	2.0
288.07663	2.3
288.11157	2.0
289.08435	4.5
289.11819	1.8
291.09967	6.1
292.07199	2.8
292.10629	1.8
293.07974	3.2
293.11115	2.1
302.09213	2.4
303.10080	3.4
304.10532	1.9
305.07977	2.3
305.11539	4.1
306.08862	3.3
307.09824	7.9
307.12808	2.4
308.10251	4.3
315.15524	1.6
317.11612	4.3
319.09589	2.5
321.11234	7.0
325.10718	3.1
331.09283	1.9
333.11078	4.9
334.11957	2.2
335.12561	4.9
339.11984	2.4
347.12753	3.0
349.10953	8.2
349.61896	3.4
351.12354	11.2
353.13788	2.9
354.14642	17.8
355.16013	3.3
358.12326	3.4
361.16318	2.1
365.13696	3.7
367.12939	6.7
367.63086	3.8
369.63104	2.1
373.12805	2.2
373.16910	5.6
379.07724	2.5
379.15207	14.0
379.28723	2.2
397.16418	100.0
397.29477	2.7
398.16727	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	397.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.04551	2.2
56.96557	2.7
57.03434	25.7
57.07073	3.2
59.05010	3.8
61.02924	14.4
67.05486	3.2
68.39495	2.2
69.03432	39.8
69.94705	10.9
70.06544	2.7
71.01349	3.9
73.02912	39.4
79.05512	2.4
81.03403	11.3
81.07037	2.5
85.02898	100.0
85.06522	12.2
87.04436	3.5
89.67332	2.4
91.03925	3.7
93.07030	2.3
97.02886	46.5
97.06541	3.2
98.03197	2.1
98.97578	4.0
99.04443	4.6
103.07581	11.0
107.04874	2.6
108.67863	2.0
109.02855	10.5
109.06492	3.1
115.03927	28.4
116.98586	2.8
127.03900	28.7
127.07542	3.0
133.04935	9.8
137.05980	3.0
145.04938	49.0
147.97935	2.1
163.06032	15.8
167.34703	2.3
177.05533	2.9
181.08507	3.0
195.46559	2.3
217.10596	6.3
229.10721	5.5
259.08301	2.7
260.04486	3.8
266.57516	2.2
295.10455	2.3
343.12863	3.7
361.13892	3.4
367.09497	2.4
379.15222	4.7
397.15289	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	397.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61902	4.3
55.01853	8.8
55.05494	5.7
56.96565	8.9
57.03436	32.1
58.72938	4.2
59.62907	4.7
60.04512	5.3
61.02913	14.1
64.18924	4.4
69.03434	41.6
71.01340	5.4
71.59507	10.5
73.02914	56.1
81.03406	10.6
81.07034	11.7
83.04979	4.9
85.02901	100.0
85.06537	38.5
85.07646	11.3
87.04498	6.7
91.03965	6.3
93.07016	9.6
95.01230	5.1
97.02890	65.5
98.97587	12.8
99.04448	5.9
103.03958	5.6
105.62653	4.8
109.02882	10.3
109.06493	5.6
115.03907	33.3
116.98569	7.8
121.30950	4.7
127.03932	36.7
127.04742	5.4
133.04951	12.3
133.26424	5.8
137.05952	5.3
145.04987	37.9
153.05298	5.2
158.99699	5.1
163.05963	14.6
177.00806	7.8
177.05341	4.9
199.09589	9.7
203.05302	36.7
208.09755	5.3
229.10629	11.9
237.02814	5.4
295.10114	6.4
344.11426	6.5
397.06750	7.6
397.11252	18.5
397.15778	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	397.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18512	0.3
53.08352	0.3
55.01853	0.6
55.05498	0.5
56.96552	0.8
57.03427	0.7
61.02913	0.9
67.05489	0.6
68.85951	0.4
69.03424	1.8
69.07059	1.5
71.04980	1.5
71.12989	0.4
71.13342	0.7
73.02915	2.9
79.05486	0.7
79.09781	0.3
81.03402	0.9
81.07053	2.1
83.04939	0.5
85.02903	4.6
85.06542	1.8
87.04461	0.4
91.03929	0.4
91.05471	0.7
93.07040	1.0
95.08561	0.8
96.04493	0.4
97.02885	2.6
98.97600	1.5
99.04425	0.4
99.08082	0.8
103.03914	0.4
105.07027	0.6
107.04900	0.4
107.08576	1.0
109.02856	0.6
109.06470	0.6
109.10108	0.4
111.08064	0.7
113.06004	0.3
115.03899	0.6
115.05405	0.3
116.98609	1.0
119.08579	0.7
121.10143	0.8
121.36179	0.3
123.08011	0.5
126.15925	0.4
127.03911	1.4
128.98622	0.4
133.04962	0.8
133.10098	0.6
134.99684	0.5
135.11652	0.3
137.05974	0.8
145.04935	1.0
146.99637	0.6
158.99580	0.4
161.13185	0.4
163.06067	0.9
163.07425	0.4
163.14818	0.6
177.00769	0.9
177.05598	0.3
181.15878	0.7
185.04192	1.6
195.07745	0.6
199.16994	1.9
205.08464	0.4
206.06708	0.4
210.06448	0.6
217.18010	0.8
219.01805	0.4
219.06348	0.9
231.08682	0.4
234.08624	7.3
235.05806	0.6
235.09364	5.7
235.18988	0.6
236.09703	0.4
237.02850	0.5
259.08170	0.4
266.08792	1.4
269.10550	0.8
271.04996	0.4
311.11713	0.4
316.11932	0.4
316.45105	0.3
367.13443	0.4
379.14487	0.4
397.14679	100.0
398.15036	4.0
419.11966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88227	1.4
56.96555	25.2
57.03423	9.1
61.02928	7.0
68.16093	1.6
69.03429	9.0
70.06586	4.1
70.28532	5.5
73.02908	22.3
81.03401	1.8
81.07052	2.3
84.08132	2.0
84.96023	3.5
85.02895	13.7
86.09686	3.9
87.04436	1.4
97.02893	9.8
98.96918	2.6
98.97575	48.7
99.04446	2.6
100.99137	6.1
101.00881	2.6
103.00626	1.6
105.66530	1.4
109.02904	2.6
110.97562	6.8
112.07573	1.5
112.99117	33.3
115.03941	3.4
116.98609	30.2
119.00161	4.8
119.01901	10.4
120.01971	1.7
121.01666	7.6
127.03901	5.4
128.98590	10.7
131.00159	64.5
131.01871	4.4
133.01654	9.2
133.03450	3.2
134.99635	9.7
137.02931	2.0
139.02620	2.0
140.00145	1.6
143.00204	3.0
143.01944	6.4
144.98085	3.0
145.01640	8.3
145.03494	7.7
145.04749	1.3
146.99631	6.7
147.03233	2.7
149.01215	43.1
151.02711	2.2
155.01978	7.0
156.02052	2.6
156.03680	1.9
157.01624	19.4
157.03430	6.8
158.99634	13.5
159.03218	2.4
161.01224	6.1
161.02965	9.4
161.05600	1.6
162.03139	2.2
162.99136	3.6
163.02692	17.0
163.04562	2.1
164.04686	1.7
165.00713	3.6
167.02299	4.9
170.99619	5.5
172.02872	2.1
173.01234	36.2
173.02951	15.5
174.03073	4.8
174.99171	1.6
175.02701	39.3
175.04518	5.7
177.00702	19.7
177.04176	3.1
178.04860	2.6
179.02184	3.3
179.05618	2.0
185.01373	2.3
185.03004	4.5
187.02766	5.1
187.04472	2.0
189.00737	6.2
190.98657	3.0
191.02263	39.7
191.03932	1.8
193.00095	2.3
193.03850	11.4
195.01698	2.8
197.02994	1.9
198.04398	2.1
199.04482	1.7
201.00769	2.6
203.04036	4.6
205.00218	2.6
205.03806	4.3
205.05614	1.5
206.24991	1.5
207.01727	1.7
208.99681	4.2
209.03244	2.2
211.04906	10.8
211.06619	2.9
214.03891	3.2
217.03651	8.5
219.01784	21.3
221.05055	3.9
223.01323	4.5
225.07138	2.4
225.57275	2.1
226.05862	1.9
232.99779	2.2
233.03227	11.6
233.05228	2.1
235.04807	13.2
235.06717	5.4
235.13020	1.6
237.02806	48.7
241.06531	1.6
245.05087	5.6
247.01222	3.9
247.06660	4.5
249.08275	1.8
253.05632	2.0
255.03880	2.9
260.04486	2.8
261.02713	2.1
263.04379	6.7
265.02274	3.5
265.07983	2.6
269.05478	1.7
271.06570	3.5
275.04156	4.2
275.06570	2.4
276.06375	2.5
277.05823	35.6
281.05417	18.5
291.00162	2.5
293.05356	8.1
295.06580	10.7
311.12473	1.8
316.09372	2.6
318.99652	4.0
321.10281	2.4
332.08682	5.3
333.08682	2.2
335.08112	2.2
337.07831	100.0
338.08646	2.1
355.09061	84.8
356.09534	3.6
373.09976	1.8
378.10623	6.1
379.05893	3.2
379.10217	2.9
395.09952	1.7
397.10007	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.01856	0.6
55.05506	0.6
56.96566	0.8
57.03418	1.4
59.48682	0.4
61.02909	1.0
67.05492	1.0
69.03431	2.6
69.07058	2.1
70.36491	1.0
71.04987	1.1
73.02912	4.3
79.05491	0.8
81.03387	0.9
81.07050	2.9
83.04977	0.6
84.08110	0.5
85.02893	5.8
85.06522	1.5
87.04478	0.6
91.03942	0.3
91.05459	0.7
93.07020	1.7
93.71941	0.4
95.08587	1.5
97.02885	3.3
97.06526	0.4
97.10138	0.5
98.97554	2.1
99.04435	0.6
99.08061	0.5
105.06960	1.0
107.04800	0.3
107.08564	1.5
109.02871	0.8
109.10136	0.6
111.08015	0.6
112.85859	0.4
115.03925	1.6
116.07164	0.5
116.98609	1.5
117.05566	0.4
121.06480	0.4
121.10187	0.7
123.08018	0.6
125.42175	0.4
127.03893	2.2
132.04518	0.4
133.04958	0.8
134.99611	0.8
135.08018	0.5
135.11722	0.8
137.05997	0.6
145.02768	0.4
145.04958	2.3
145.06017	0.3
158.99588	0.5
161.13268	0.5
161.23154	0.4
163.06033	1.0
163.14778	0.8
164.74208	0.4
177.00706	1.3
181.15845	0.9
185.04166	2.1
189.05299	0.7
193.72089	0.3
194.57129	0.4
195.07956	0.5
195.60757	0.4
199.16866	2.0
210.06538	0.4
217.15956	0.7
217.17987	1.1
218.27417	0.4
219.01707	0.7
219.06346	1.4
234.08601	8.1
235.09352	5.3
235.19043	1.0
235.94153	0.3
237.02658	0.5
237.07278	0.4
245.10394	0.4
266.08725	0.5
269.10712	0.6
276.10226	0.4
276.27359	0.4
295.10178	0.5
316.14969	0.5
341.28998	0.4
366.12628	0.4
397.14655	100.0
398.15091	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	396.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.07074	33.0
57.97205	1.2
60.87098	1.0
67.05511	2.0
69.07065	2.2
69.34541	11.8
70.06589	1.6
71.08631	31.0
73.06545	4.1
79.11588	1.1
81.07041	2.2
82.40321	1.0
83.08607	4.0
85.10179	25.9
87.04472	2.4
89.06029	100.0
95.08605	2.3
99.11727	2.1
107.07053	4.3
109.10119	1.4
117.09113	1.6
130.08647	4.5
133.08600	43.0
135.11812	1.1
141.16388	3.2
151.09653	2.9
177.11250	12.8
185.18996	4.8
195.12357	2.2
221.13934	1.2
226.21704	1.2
229.21617	11.0
239.14868	21.8
272.78088	1.0
273.24234	3.0
275.03778	0.9
277.00119	1.2
335.27979	1.6
340.66354	1.2
379.30536	51.7
396.33786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.1
55.01849	4.0
56.96545	1.7
57.03435	40.7
61.02640	1.8
61.02921	21.6
67.05487	3.1
69.03423	35.4
69.07039	5.4
70.05042	7.8
71.01324	5.0
71.04966	3.9
73.02912	96.5
79.05487	2.8
81.03409	7.3
81.07040	3.5
83.04954	2.7
85.02899	100.0
85.06532	11.0
86.09660	1.4
87.04440	5.3
87.04966	1.3
91.03938	5.3
91.05458	5.5
93.07026	4.0
95.04938	3.4
95.08594	3.0
97.02885	60.1
97.06514	3.2
98.20892	1.4
98.97559	3.2
99.04446	8.0
102.99814	1.4
103.03928	2.5
105.07034	1.9
107.05003	1.3
107.08559	3.2
109.02876	8.8
109.06477	1.6
109.10110	3.3
113.09665	1.4
115.03918	56.4
116.98608	3.0
119.08546	2.4
123.08050	1.6
124.07588	1.5
125.05986	3.1
125.09610	1.6
125.58517	1.5
127.03910	38.6
132.06500	2.4
133.04961	18.2
133.06427	2.9
135.08054	5.1
136.07535	1.6
138.05505	1.6
145.04948	65.3
147.08022	1.9
150.07591	7.6
161.05881	3.0
163.05988	25.5
163.07526	7.4
165.09082	1.6
167.10631	1.9
175.07428	1.8
177.00644	1.5
180.08633	2.3
181.08575	4.2
193.08514	4.2
199.09605	6.9
203.12709	4.3
211.09698	1.6
212.07147	3.7
217.04893	1.8
217.10741	2.6
219.01659	1.6
221.08395	1.5
223.06082	7.4
223.07860	1.5
229.10695	10.2
232.07022	2.5
233.07455	4.3
234.13306	1.5
237.02699	3.0
241.07082	8.9
259.08136	9.7
277.09106	1.5
295.10410	8.2
312.44644	1.6
341.27310	1.5
372.69409	1.4
396.13354	53.7
397.13531	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	396.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	2.6
55.05509	4.6
56.05046	0.8
56.96561	1.2
57.03423	2.3
59.04992	2.3
61.02914	1.9
67.05500	1.8
69.03427	5.6
69.07051	0.8
69.75352	2.9
69.75787	2.5
70.02940	1.7
71.04992	0.9
71.08617	1.8
72.04505	5.3
73.02901	3.2
74.02422	1.1
74.06091	0.9
76.66066	0.8
79.05479	2.9
81.03419	3.6
81.07053	10.4
82.33582	0.7
83.04971	1.0
83.08613	2.7
84.08100	1.3
85.02898	14.2
85.06538	1.2
86.09690	1.0
87.00834	2.1
87.04444	1.5
90.05548	60.5
91.05452	1.9
93.07032	2.4
95.04971	1.2
95.08597	1.7
96.04502	1.0
97.02868	5.4
97.06520	1.5
98.02415	5.5
98.21518	1.1
98.97569	2.3
99.04423	1.9
99.08083	3.6
99.67857	0.7
105.01851	4.0
106.64793	0.8
107.08548	1.5
109.02847	2.5
109.06520	11.1
110.06042	0.8
110.09697	0.9
113.06013	1.1
115.03931	0.9
116.03452	8.8
116.98636	2.8
117.09113	1.1
119.08572	1.6
120.08099	1.6
121.06464	1.2
122.05994	1.5
123.08034	0.9
125.09686	1.1
127.03897	6.7
127.07520	1.2
131.07101	0.9
134.99652	2.1
135.08032	1.5
136.07581	2.1
137.06007	1.2
138.09129	10.9
139.11153	0.9
140.07062	1.3
145.04950	4.1
149.06001	0.9
153.09090	3.7
155.07184	1.0
156.10181	3.4
158.99649	1.0
159.02750	1.4
161.13269	1.9
163.07527	1.0
170.11844	1.1
171.10156	2.5
177.00729	2.8
177.05478	1.0
180.10147	1.8
181.08530	1.7
188.12744	1.4
198.11244	17.0
199.09761	3.6
199.11325	0.8
208.09718	1.3
212.07153	1.4
214.08769	0.8
216.12311	14.5
217.10744	3.6
219.01752	1.0
223.09012	2.2
227.34808	0.8
231.04941	1.1
234.13350	100.0
235.13666	1.7
237.02788	1.2
249.06047	0.9
249.16035	0.8
273.12323	0.9
343.13232	0.9
344.11160	1.0
361.14053	1.4
379.14801	1.4
396.16669	1.8
397.14697	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69544	5.4
55.05495	12.3
56.96554	6.6
57.03415	10.8
67.05479	10.1
69.07059	8.5
71.63309	8.9
77.42416	5.8
79.05498	6.2
81.07066	6.7
83.04955	9.2
91.05460	18.7
93.07050	10.2
95.08615	10.5
103.05439	27.8
105.07004	15.7
107.08578	9.4
110.45975	5.0
115.05436	19.2
117.07008	43.7
119.08549	14.4
121.10186	7.9
123.04434	52.0
125.90274	5.2
128.06218	11.6
129.06976	16.5
131.04907	53.8
131.08531	18.9
133.06461	9.9
133.10144	5.9
137.05983	11.0
141.07011	10.5
142.07761	6.6
143.04921	16.3
143.08528	8.5
145.06459	55.4
145.10141	9.0
147.04465	10.6
147.11647	6.7
149.05936	49.0
151.07558	6.3
153.07045	6.8
155.08521	12.0
157.06480	14.6
157.10098	10.3
159.08041	11.7
159.11716	6.1
160.05185	16.5
161.05977	72.8
161.13190	6.7
162.06784	6.2
163.07536	54.9
165.09111	6.7
169.06555	6.2
171.08023	14.1
171.11482	5.4
173.05934	25.9
173.09543	5.6
174.06773	29.2
175.07567	66.6
176.04640	10.6
177.05475	37.9
177.09097	17.7
179.07024	23.2
183.08008	12.3
185.09644	15.6
186.06792	13.8
187.07541	18.8
188.08209	6.6
189.09094	47.2
190.82524	6.9
191.10660	13.6
193.08636	7.2
199.07520	5.9
201.09088	100.0
202.09431	9.8
203.10674	96.8
205.08604	27.0
211.11012	6.8
213.09059	8.9
215.10684	13.9
217.12247	18.9
227.10687	19.9
229.12236	12.8
233.11673	12.9
241.12306	9.3
279.06256	7.0
289.08450	7.5
307.09558	14.1
321.11075	8.7
335.12198	6.8
336.13376	13.3
353.16324	6.3
377.17343	23.8
395.18454	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05500	8.9
57.03440	10.0
57.07065	1.4
67.05499	41.9
69.03424	100.0
69.07074	8.7
71.04990	4.5
79.05492	22.6
81.03410	12.9
81.07050	48.0
83.04974	2.4
83.08606	5.8
87.04446	4.6
91.05475	10.4
93.07050	24.9
95.04963	2.3
95.08599	41.5
97.06519	1.5
97.10165	2.7
98.20686	2.3
99.04447	41.7
105.07030	11.7
107.08600	14.3
109.06487	1.4
109.10152	19.5
113.50005	1.3
117.05486	37.9
117.06976	4.2
119.08559	7.7
121.10136	12.3
123.11694	9.7
131.08553	8.9
133.10129	5.7
135.11687	11.1
137.09531	1.8
137.13203	3.4
145.10124	6.1
147.11671	5.3
149.13269	6.7
159.11626	4.6
161.13257	5.2
163.14815	3.5
165.12712	1.7
173.13266	5.3
175.14832	2.1
179.14310	2.2
187.14761	2.9
243.21111	5.5
261.22131	18.2
279.23227	7.1
280.90512	1.4
377.27017	2.5
395.28784	8.7
404.46735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.16848	1.0
55.01867	2.9
56.96568	1.6
57.02157	1.1
57.03436	46.3
58.26440	1.1
60.04535	1.5
61.02642	1.3
61.02924	14.8
67.05492	3.2
69.03428	38.0
69.07073	6.0
70.96282	3.5
71.01331	5.0
71.04982	4.3
72.46883	1.0
73.02917	93.7
79.05482	3.2
81.03407	7.8
81.07047	3.5
83.04971	3.8
84.04480	1.7
84.77427	1.3
85.02903	100.0
85.06546	7.3
86.09690	1.6
87.04460	4.1
91.03941	4.9
91.05482	2.5
93.07034	5.1
95.04944	3.3
95.08615	1.8
97.02895	57.2
97.06503	2.6
98.97626	2.2
99.04458	5.5
105.07030	2.5
107.04919	1.6
107.08589	1.8
109.02885	9.2
109.06508	1.8
109.10146	1.3
113.05942	1.5
115.03925	42.9
116.98640	2.3
119.08539	2.0
121.06483	2.2
123.08075	1.1
125.05975	1.2
127.03909	30.0
132.06554	1.7
133.04973	10.2
135.08043	3.1
135.11662	1.6
139.07559	1.1
140.07111	1.4
144.06584	1.3
145.04959	44.2
147.08046	2.4
150.07605	4.8
151.07542	2.1
161.05951	3.1
163.06010	17.4
163.07491	3.7
170.99622	1.4
177.00677	1.7
181.08534	2.5
193.08601	3.0
199.09648	3.7
203.12779	2.8
212.06937	2.2
217.10786	1.2
223.05954	5.9
229.10770	6.1
232.07051	1.4
233.07391	3.0
234.07889	2.4
237.02718	2.6
241.07106	4.9
259.08148	4.3
264.14413	1.8
295.10251	4.5
337.27631	1.1
396.13419	35.3
397.14258	2.4
419.13470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1852
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
50.18439	2.8
55.01853	6.3
55.05491	9.2
56.96548	7.6
57.03419	3.1
59.04975	5.4
65.38490	3.0
66.32699	2.6
67.05488	11.5
68.77464	3.0
69.03403	5.2
69.07039	11.4
74.82841	3.2
79.05474	6.3
81.07034	11.4
83.05003	4.2
88.07620	3.3
91.05474	25.1
93.07021	7.5
95.04919	4.7
95.08582	12.4
96.30799	4.1
98.21504	6.3
98.97569	3.8
102.36333	3.8
103.05442	15.1
105.07021	8.3
107.04939	4.1
107.08549	8.0
109.06495	8.2
109.10146	7.0
115.05427	18.2
117.07011	24.5
119.08556	40.2
121.06500	3.6
121.10123	5.3
123.04417	52.0
129.07014	15.4
131.04926	23.0
131.08533	11.4
133.06487	6.6
133.10117	6.2
137.05959	89.6
141.06941	8.2
142.07782	6.1
143.04900	6.0
143.08505	9.1
144.05653	4.6
145.06483	27.8
145.10118	8.3
147.04391	10.2
147.08047	21.7
149.02336	8.5
149.05968	31.0
150.02673	3.2
151.07526	13.6
155.08499	8.8
157.06480	10.3
157.10115	9.2
159.07979	15.7
159.11693	5.9
160.05138	6.2
161.05975	59.5
163.07512	68.3
165.06961	4.4
165.09102	100.0
166.07697	3.7
167.07080	6.0
169.10042	4.3
170.07278	5.1
171.08035	7.9
171.11617	4.6
173.05966	13.7
173.09689	5.8
174.06728	6.3
175.07513	28.3
176.08226	4.3
177.05475	13.6
177.09096	22.2
179.07001	27.7
179.08429	5.9
181.10193	4.5
183.08000	4.6
183.11732	4.0
185.05975	7.6
185.09671	6.0
187.07535	17.8
187.11223	4.0
188.08261	4.6
189.09102	23.2
191.06975	8.8
191.09048	3.1
191.10597	22.1
193.04919	8.3
193.08597	5.4
194.05287	5.6
195.08066	8.3
197.09583	4.9
201.09096	24.9
203.06978	5.8
203.10696	22.6
204.07715	4.9
205.08636	11.2
205.12251	10.2
209.09689	5.1
211.07640	3.8
213.09126	11.7
215.08630	4.0
215.10612	16.1
217.12181	14.2
219.10132	3.9
227.10576	9.2
229.12190	10.3
229.23618	9.8
231.10335	4.1
233.11737	4.5
245.11732	12.5
253.12131	4.2
261.09042	4.9
263.06903	4.8
265.12369	3.3
273.14975	3.9
280.07153	3.7
289.08557	4.9
292.07166	5.4
293.07983	10.0
303.10083	9.3
307.09634	11.6
315.10199	6.5
317.11627	4.1
319.09723	7.9
321.11069	6.0
323.12714	6.3
325.14456	4.4
330.12296	4.5
331.13126	5.4
331.16852	5.7
333.11215	11.5
334.12311	3.8
335.12717	9.1
336.13574	16.1
348.13611	12.3
354.14438	4.0
359.16360	11.0
366.14865	4.1
377.17349	47.2
395.18488	70.7
395.25995	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	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71762	0.4
55.01850	0.4
55.05539	0.4
56.96546	0.6
57.03424	1.4
61.02911	0.8
66.59116	0.4
67.05497	0.8
68.02141	0.4
69.03410	2.3
69.07049	0.7
69.71891	2.3
71.05022	0.6
72.09937	0.3
73.02917	3.0
78.67036	0.3
79.05469	0.4
81.03443	0.7
81.07059	0.6
83.04944	0.4
84.04514	0.6
85.02905	4.6
86.09737	0.5
87.04472	0.8
90.27174	0.3
91.05477	0.6
93.07029	0.7
95.04943	0.5
95.08616	0.4
97.02860	2.2
98.21381	0.7
98.97602	0.9
105.07004	1.1
109.02930	0.4
115.03918	0.9
116.98640	0.6
127.03905	1.2
133.06485	0.8
133.10072	0.3
137.05965	0.6
140.07080	1.0
145.04980	0.8
146.99617	0.5
147.04428	0.5
161.05981	1.6
163.02660	0.4
166.56009	0.4
170.99603	0.4
177.00728	0.5
177.05464	0.5
180.10335	0.5
185.04202	3.3
193.08644	0.8
208.09682	1.2
217.04729	1.0
218.06058	0.9
219.01747	0.5
232.07048	10.2
233.07796	6.9
237.02798	1.1
333.14417	0.5
351.15573	0.6
363.11871	0.6
364.11377	1.4
393.63504	0.4
395.13113	100.0
396.13455	2.3
417.10709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1847
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
53.41177	5.2
54.23806	6.1
55.05495	8.7
56.96569	6.4
57.03425	9.1
59.05256	5.5
67.05487	12.7
69.07064	8.6
69.39820	49.7
69.40237	12.3
79.05474	10.6
91.05507	30.0
93.07059	11.6
95.08578	11.1
103.05468	23.5
105.07013	23.6
107.04921	9.3
109.10151	6.9
115.05437	27.4
116.74825	7.1
117.07018	45.6
119.08569	12.1
121.06501	9.7
122.82726	6.0
123.04422	81.2
128.06207	8.4
129.06987	23.1
131.04922	46.0
131.08635	19.2
133.06485	11.4
137.05942	28.2
141.06918	6.5
142.07756	13.4
143.04889	16.5
143.08546	14.6
145.06485	57.6
145.10078	12.8
147.04379	17.2
147.08011	8.0
148.05186	6.7
149.05966	57.9
151.07520	18.4
155.08568	16.9
157.06476	9.6
157.10126	16.8
159.08041	14.9
160.05200	20.2
161.05968	97.1
162.06630	6.9
163.07544	74.2
165.09099	26.2
166.83502	6.1
168.05699	9.6
171.08000	14.5
173.05962	31.4
173.09602	11.3
174.06699	15.8
175.07545	63.9
176.04578	9.2
177.05495	39.3
177.09079	15.7
179.07065	25.8
181.09995	7.5
183.07996	12.2
185.09608	16.5
186.06798	17.2
187.07504	27.6
189.09096	54.3
191.06902	8.9
191.10698	10.9
197.09660	7.7
199.07516	12.0
199.11084	8.4
201.09090	95.6
203.10667	100.0
205.08577	30.5
211.07460	7.7
215.10669	15.4
217.12212	22.7
227.10678	17.0
229.12236	12.9
233.11575	9.2
241.12274	12.2
245.11665	13.1
273.03860	8.3
283.05820	8.0
307.09525	7.1
321.11270	10.9
336.13406	17.5
348.13638	15.5
359.16022	7.6
377.17322	36.4
395.18433	86.1
396.18793	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	395.095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46791	0.8
64.66648	0.7
66.81272	0.8
67.78574	0.8
69.54877	5.2
69.55286	2.0
94.99866	0.8
98.97504	1.2
101.00880	2.4
113.00889	1.0
119.01910	8.4
131.01898	7.3
133.03514	1.2
143.01883	16.2
145.03476	1.7
149.02950	2.8
155.01883	42.3
156.02054	2.0
157.03461	4.9
161.02950	31.2
173.02957	100.0
174.03108	5.1
175.04500	4.7
185.02948	3.6
191.04063	2.0
196.04512	3.5
197.02953	2.4
203.04028	2.6
215.04013	19.5
216.04155	2.1
233.05064	35.1
234.05142	2.7
237.02802	2.6
247.80800	0.9
256.06598	1.1
269.05399	2.1
275.06094	72.5
276.06271	6.3
293.07147	18.0
294.07321	1.2
316.08664	1.6
335.08130	8.6
336.08749	1.0
395.09460	39.8
396.09814	1.9
413.09586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63410	0.7
56.96549	6.1
57.03424	1.6
60.60582	0.7
61.02927	1.3
63.02774	0.7
69.03432	1.3
69.69115	6.0
73.02919	4.5
82.99829	1.1
84.95995	1.3
85.02885	2.9
94.99827	1.4
97.02903	1.5
98.97577	7.1
101.00893	3.1
113.00839	1.6
116.49694	0.8
116.98616	5.8
119.00229	0.7
119.01129	1.6
119.01913	17.2
119.02705	1.5
119.55447	0.7
128.98593	2.1
130.93788	0.7
130.98073	0.9
131.01895	17.1
131.84961	0.8
133.03477	3.7
134.99669	4.1
137.02936	4.4
143.01880	17.4
145.03450	4.8
146.99632	3.5
147.01439	1.3
149.01187	1.4
149.02927	4.5
155.01880	43.7
156.01978	1.3
157.03468	5.7
159.05000	1.0
160.97452	1.1
161.01270	2.7
161.02945	34.3
162.03056	1.8
162.99193	1.1
163.04506	2.2
165.00748	1.6
167.01927	0.8
169.03506	1.7
170.99609	1.0
172.30276	0.8
173.02946	100.0
174.03099	3.9
174.99120	0.9
175.04483	7.5
177.00694	1.9
177.02187	0.7
179.03995	1.2
183.01796	2.4
184.04590	3.5
185.02911	6.2
187.04475	5.0
188.97110	1.0
189.00748	1.9
189.02498	1.9
191.02393	1.2
191.03993	3.0
193.00182	1.2
196.04521	7.8
197.02995	4.7
199.04544	1.0
203.03893	4.3
206.98160	1.4
207.01689	2.5
207.03429	1.1
213.02405	1.2
215.03975	19.1
216.04121	1.3
217.01938	0.8
217.33450	0.8
219.01752	2.4
225.02664	1.0
225.20703	0.8
231.03468	1.6
232.99728	1.8
233.02744	1.8
233.05035	30.5
237.02757	6.3
245.05104	2.6
255.03935	0.9
256.06650	2.8
267.00311	0.9
269.05405	2.4
275.03058	2.7
275.06097	83.1
276.06317	4.2
281.04892	1.2
287.02390	1.1
293.03940	1.0
293.07126	20.3
294.07141	1.3
316.08755	4.7
335.02710	0.8
335.04285	1.0
335.08231	8.8
336.08545	1.1
395.09460	14.6
396.10538	1.0
413.09604	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	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01869	4.4
55.05506	14.0
57.03436	5.4
57.07080	2.0
61.02918	2.7
67.05500	16.2
67.85623	1.5
67.85984	1.7
69.03421	15.6
69.07067	27.5
69.31334	18.6
71.04987	7.3
73.02912	2.4
79.05484	11.2
81.03432	9.9
81.07054	44.4
81.38200	1.8
83.04979	4.2
83.08619	11.9
85.02909	43.4
85.06527	6.4
87.00846	7.6
91.05469	13.8
93.07036	18.4
95.04958	4.6
95.08602	57.9
97.02899	13.5
97.06532	12.0
97.10163	7.4
99.04452	6.4
99.08085	5.9
101.05991	2.0
103.05547	1.6
105.01861	6.3
105.07027	22.4
107.05005	2.2
107.08588	12.8
109.02868	9.3
109.06498	2.6
109.10158	7.9
111.08066	4.3
111.11716	3.7
113.09615	2.9
115.07560	2.8
117.07043	2.5
119.08577	32.8
121.06494	3.4
121.10148	11.5
123.08083	6.9
123.11726	3.4
125.09591	2.5
127.03907	13.2
127.07555	2.0
129.06982	1.6
129.12807	2.1
131.08604	2.8
132.98405	1.6
133.10150	23.3
135.11697	14.6
137.05968	2.7
137.09587	2.8
137.13248	14.2
145.04988	9.0
145.10114	3.8
149.13284	2.5
151.11102	2.0
155.10643	1.6
159.02856	2.9
159.08089	1.7
159.11740	5.6
161.13252	72.3
162.13589	4.1
163.11238	3.6
169.12099	2.0
175.07550	5.1
179.14310	100.0
180.14622	2.6
187.11217	2.2
189.84518	1.6
191.10689	1.9
197.15353	51.0
198.15685	2.7
215.10672	1.7
215.16325	10.7
219.13806	2.1
231.04872	2.1
237.14720	2.5
287.53165	1.8
323.14990	3.6
332.06934	1.6
394.31387	3.4
395.20395	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	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05496	1.5
57.03429	0.7
67.05482	1.1
68.50233	0.7
69.58768	1.9
69.59172	4.1
72.08123	1.0
73.30861	0.7
79.05478	1.2
81.07050	11.9
83.04993	1.0
85.02895	4.1
86.09712	1.3
91.05472	1.6
92.54124	0.8
93.07025	1.8
95.08565	1.5
97.01080	0.7
97.02882	1.6
105.07034	1.3
107.08643	1.1
109.06506	8.5
109.10184	0.9
111.04430	4.0
112.05055	2.2
119.08602	1.4
120.08044	2.0
121.06524	0.9
125.05962	2.8
127.03904	1.7
132.40019	0.8
133.10109	2.9
137.05963	100.0
137.09592	2.2
138.06328	2.1
143.08583	1.1
151.03900	1.0
161.09605	2.8
177.05382	0.8
179.10663	25.5
179.12175	1.6
190.02426	0.8
197.11710	69.4
198.12096	1.3
219.14899	1.0
242.09015	0.7
305.29291	0.7
312.22589	0.8
324.06326	1.1
348.08917	0.9
367.08218	2.6
390.11447	0.8
391.27878	0.8
394.21216	5.9
395.07565	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	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05888	0.8
56.05026	1.2
56.96543	1.4
57.03427	2.3
61.02913	2.6
69.03421	7.2
70.06602	1.0
71.04980	1.1
71.33675	1.5
73.02907	2.3
79.05481	4.5
81.03418	3.3
83.04955	0.9
84.84064	0.8
85.02902	18.2
87.04469	1.3
91.03933	1.1
91.05476	13.6
93.89400	0.9
95.04973	1.6
97.02898	6.3
98.97578	2.0
99.04480	1.0
103.05426	0.9
107.04968	10.2
109.02901	2.1
115.03916	1.1
116.98653	1.1
119.04940	42.0
120.05340	1.3
121.06505	4.9
127.03893	5.9
131.04926	1.0
133.02928	0.9
135.04407	13.2
137.05972	39.7
138.06294	1.8
139.03859	1.0
140.07059	1.6
145.04927	5.1
147.04405	79.1
148.04810	1.2
148.87122	0.9
149.05965	9.7
151.07538	9.4
158.99680	1.0
162.04187	1.0
164.04535	1.2
165.05450	1.0
167.07037	23.5
175.07532	1.1
177.05486	3.1
179.07022	100.0
180.07306	3.3
189.00873	0.9
191.07039	1.7
197.08083	3.7
216.26056	1.1
229.08470	1.6
233.08121	1.8
237.02850	2.6
275.06378	1.0
275.09085	1.3
293.10388	1.2
311.11221	5.9
323.10934	1.3
394.14755	1.1
394.34879	1.0
413.82358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46733	0.9
53.78242	0.9
55.01870	1.5
56.05041	0.8
56.96562	1.2
57.03421	2.5
61.02913	1.3
69.03428	7.7
70.55389	3.8
70.55749	1.1
73.02908	2.1
79.05495	1.2
81.03412	2.5
82.06583	1.7
83.04962	1.2
84.04481	0.9
85.02897	15.9
91.03944	1.0
91.05481	9.1
95.04929	1.3
96.04514	1.0
97.02891	6.2
98.97572	5.3
99.04460	1.3
103.05473	1.4
107.04971	1.9
109.02883	1.6
111.20204	0.8
112.07612	1.2
116.98615	4.5
119.04939	25.6
119.17726	1.0
122.03648	2.4
127.03899	4.0
128.07080	4.0
130.08685	1.2
131.04965	1.1
134.99599	1.9
135.04373	2.0
137.05966	100.0
138.06320	3.0
142.08672	1.3
145.04950	2.6
146.99678	1.4
147.04396	47.8
149.06000	1.9
151.07477	2.0
158.14935	0.9
158.99622	1.0
163.07596	1.0
166.07225	2.3
167.07085	3.1
174.96889	1.1
177.00720	3.1
177.05540	1.1
179.07019	57.9
180.07393	3.1
181.08539	1.8
189.00859	0.9
197.08083	22.4
197.09755	1.5
219.01726	2.4
234.99103	1.4
237.02824	3.5
255.03812	1.3
261.08710	2.9
261.58856	5.1
268.48700	0.9
276.07611	1.8
336.27954	1.0
395.12595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01861	1.7
56.96561	10.3
57.03429	4.6
60.04517	1.0
61.02913	5.0
62.10269	0.8
64.83886	0.8
67.97846	0.9
69.03417	10.3
70.06586	1.6
70.89074	2.3
71.04987	1.7
73.02912	5.8
79.05468	1.4
81.03407	3.6
81.07005	1.4
82.06585	1.0
84.04515	4.6
84.96055	1.5
85.02422	1.8
85.02902	23.2
87.04475	1.9
89.94422	0.9
91.03951	1.2
91.05485	9.0
94.04167	1.0
95.04971	1.4
97.02890	11.6
97.06543	1.0
98.97572	15.8
99.04423	2.0
101.02422	1.1
107.04964	2.2
107.41549	0.8
109.02866	2.9
109.06530	5.2
110.06063	1.2
110.97561	1.5
111.04393	1.1
114.05487	1.3
115.03905	1.3
116.98626	13.8
117.05462	1.2
119.01872	1.6
119.04931	23.3
121.10184	1.0
122.03642	2.1
123.04456	1.0
124.07613	1.2
125.05962	0.9
127.03912	4.6
128.07094	1.2
128.98604	3.9
133.01724	1.2
133.02850	1.5
134.99673	6.8
135.04385	2.5
137.05972	100.0
138.06310	3.5
140.27293	0.9
142.08667	0.9
145.01686	1.2
145.04933	3.5
146.99686	4.4
147.04405	45.7
149.01201	2.6
149.05988	1.3
151.07506	3.5
153.05420	2.3
155.01877	1.8
155.04645	1.4
158.99634	7.0
161.01198	2.4
161.02904	2.2
161.04845	1.1
162.99091	1.3
163.02748	1.3
163.03917	1.8
163.07449	1.7
165.00760	2.0
165.05463	6.0
166.07277	2.8
167.07043	2.5
170.99667	1.5
173.02960	4.0
173.04825	1.0
175.01103	0.9
175.02727	2.5
177.00742	10.1
177.05481	3.0
179.07042	51.1
180.07397	1.3
181.08536	2.2
187.02727	1.2
189.00734	2.8
189.04210	1.8
191.02357	1.1
191.05824	1.7
197.08093	37.0
203.02231	1.3
205.05438	2.0
205.55598	1.4
207.01840	1.1
214.05885	1.9
214.55995	1.3
215.04100	1.0
215.05960	1.2
217.05417	1.1
218.10294	2.4
219.01767	5.6
227.06697	1.2
231.08250	0.9
232.15405	1.3
233.05046	1.6
233.07074	1.2
233.10147	1.7
237.02855	11.6
251.04564	1.2
253.04039	1.1
269.05533	1.0
275.06009	1.4
279.03882	0.9
286.77704	0.9
295.07028	2.1
307.06967	1.1
309.08533	5.4
310.08698	1.0
318.59756	3.1
335.10040	5.0
351.09775	1.5
353.11127	3.2
394.14029	20.7
395.13269	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42179	1.9
53.03925	3.3
55.01867	5.2
55.05507	14.7
57.03415	4.6
57.07069	11.2
67.05492	31.7
69.03421	16.0
69.07063	29.3
69.29864	5.0
69.30274	21.1
70.06561	3.5
71.04981	9.0
71.08601	2.2
73.02914	2.3
76.60156	2.1
78.88161	2.2
79.05473	16.4
80.88685	2.5
81.03403	6.6
81.07052	74.6
83.04961	5.4
83.08613	7.9
85.02900	11.8
85.06535	61.8
87.00844	4.8
91.05481	11.2
93.07034	41.1
95.04947	8.9
95.08595	54.8
97.02868	3.4
97.06519	6.9
97.10166	4.9
98.21474	3.7
99.08096	16.6
105.07021	22.6
107.04974	2.4
107.08587	38.7
109.02811	2.7
109.06512	4.2
109.10148	44.0
111.08068	6.1
111.11687	6.1
113.09608	4.8
115.05481	2.6
117.07032	2.8
119.08561	25.7
121.06496	4.8
121.10126	31.4
123.08083	6.6
123.11707	21.1
125.06001	4.2
125.09613	9.7
127.03925	7.3
127.07604	2.6
127.11160	5.6
131.08577	5.9
133.10124	22.4
135.08037	7.7
135.11653	18.9
137.05991	3.5
137.09621	13.2
137.13245	6.8
139.07567	2.2
139.11157	10.8
141.39722	2.4
142.08646	3.2
143.08559	3.9
145.10106	8.9
145.12367	2.3
145.16974	2.1
147.08040	3.7
147.11674	20.2
149.09666	4.7
149.13240	11.0
151.03896	2.8
151.11205	4.9
153.09082	4.1
153.12721	5.5
157.08870	2.2
157.10107	4.5
159.11630	10.6
161.05969	3.4
161.09628	7.6
161.13223	6.5
163.11217	5.1
163.14815	7.7
165.09138	7.4
165.12706	3.2
167.07024	4.6
167.10686	5.6
171.10132	3.4
171.13852	3.5
173.13284	4.7
173.41113	2.1
175.07506	2.3
175.11292	4.4
175.14825	8.9
175.53760	2.3
177.09070	7.4
177.12714	3.8
177.16360	16.8
178.04196	2.3
178.59329	2.2
179.10638	5.8
185.13295	2.6
187.11104	5.2
187.14761	6.6
189.16370	2.7
193.12177	3.8
195.13762	2.6
195.17392	2.6
201.16512	4.1
203.17876	5.9
207.13943	3.3
211.13095	2.6
219.17429	9.0
221.18942	3.1
223.16682	3.5
229.15912	2.2
234.08199	2.8
237.18483	5.6
243.21013	5.0
247.16902	3.8
255.19435	2.6
261.22046	3.2
262.07623	3.8
267.20972	2.9
277.25116	3.0
285.22086	9.5
292.83743	2.5
295.26117	3.2
297.24503	2.5
303.23169	37.8
321.24216	35.7
339.25308	57.9
345.42065	2.1
349.12692	4.2
357.26215	8.2
393.11746	11.7
393.18790	100.0
394.19116	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.05503	24.9
57.07074	14.4
58.37807	5.4
65.03956	6.1
67.05505	35.5
69.07063	25.5
69.98852	11.2
69.99271	25.2
71.08624	5.9
74.97246	5.2
79.05486	41.9
81.07059	75.4
83.08607	9.0
85.06454	6.9
87.14159	5.2
91.05473	53.3
93.07039	94.0
95.04970	69.9
95.08602	71.9
97.06532	10.7
98.98474	11.0
105.07029	86.9
107.08595	58.9
109.06499	17.1
109.10172	29.3
115.05426	6.7
117.07011	22.0
119.08579	100.0
121.06528	22.6
121.10142	48.3
123.11699	16.8
128.06241	10.7
129.07010	26.1
130.07758	7.1
131.08554	44.2
133.10146	57.0
135.11650	27.6
137.09645	6.8
138.63377	6.6
141.06981	15.7
142.07750	26.4
143.08554	39.6
144.09325	7.4
145.10117	67.0
147.11661	30.3
149.09708	5.8
153.07011	9.1
155.01021	29.3
155.08545	12.2
156.09355	13.5
157.10097	52.9
159.11655	47.4
161.09621	22.6
161.13324	10.1
163.11208	6.2
169.10170	25.7
171.11653	34.3
173.09615	7.3
173.13292	22.1
175.11180	10.8
175.14812	23.2
179.08557	6.3
181.10239	11.1
182.10875	9.9
183.11739	23.5
185.13243	10.8
187.11179	9.7
187.14827	11.4
189.12677	7.1
194.10976	8.6
195.11731	14.0
197.13235	15.7
199.14870	8.0
201.16360	9.9
209.13356	13.6
211.14821	12.7
223.14854	7.6
251.17819	6.3
304.26318	8.8
337.75967	5.7
375.26721	8.9
393.27762	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	393.2478
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
55.05506	7.6
57.03409	1.6
57.07064	5.8
65.02308	1.6
67.05489	6.3
69.03431	1.7
69.07063	10.8
69.29774	20.0
71.04980	2.9
72.97325	1.6
79.05482	9.1
81.07050	29.4
83.08610	11.9
84.04461	2.4
85.02893	8.0
85.06541	7.7
88.78094	1.5
91.05472	3.2
93.07038	18.1
95.08601	48.7
97.10127	5.0
99.08084	4.0
107.08588	31.5
108.08917	1.7
109.06523	1.8
109.10144	18.8
111.08063	3.0
111.11723	4.2
118.82809	1.6
121.10126	44.4
123.11696	5.1
125.09603	1.8
127.03911	2.4
135.11714	10.8
137.13234	9.1
139.11177	4.5
146.05992	2.1
149.13266	4.3
151.03876	2.7
165.16362	5.2
173.99988	1.7
177.16373	100.0
178.16742	4.1
183.17458	5.7
195.17433	46.1
197.08105	2.6
213.18454	18.3
231.19539	45.5
232.19865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87491	5.0
53.03936	8.0
55.01875	9.7
55.05499	28.6
57.03431	9.1
57.07063	13.3
65.03938	5.7
67.05502	83.6
69.03430	25.1
69.07061	26.0
69.35801	46.5
71.01344	5.6
71.04977	4.6
71.08617	7.6
79.05493	91.0
81.03398	8.0
81.07047	100.0
83.04980	8.4
83.08611	13.1
85.02905	9.2
91.05471	57.1
93.07034	96.0
93.07619	6.0
95.04951	13.9
95.08593	86.4
97.02882	16.2
97.06506	8.0
97.10163	8.9
98.98460	6.5
105.07023	71.1
107.04942	9.0
107.08582	50.7
109.06490	7.4
109.10135	33.7
115.03920	12.8
116.32519	4.2
116.99480	4.3
117.05503	8.3
117.07024	33.9
119.08548	50.3
121.06473	8.4
121.10132	51.5
123.08054	9.5
123.11708	14.5
126.40520	4.4
129.06996	17.2
131.08568	39.3
133.06435	4.7
133.10129	43.9
133.17747	4.7
135.11703	34.6
137.13243	5.7
143.08559	11.5
144.66344	3.9
145.10100	27.0
147.11691	29.8
149.09607	5.0
149.13249	14.8
151.11191	4.3
155.01039	14.4
155.08588	5.1
157.10121	13.5
159.08037	5.7
159.11642	28.4
161.13246	16.1
169.10069	6.8
171.11699	12.8
173.09557	5.8
173.13226	25.7
177.16347	4.9
183.11720	5.9
185.13159	9.2
187.14879	9.0
195.11824	5.8
197.13211	5.0
199.14859	6.4
201.16371	4.2
203.14468	5.7
205.36407	5.2
213.16429	4.9
215.14281	4.1
225.56844	4.1
259.20566	14.5
261.22147	34.3
277.21524	6.9
280.51965	4.9
289.21606	12.2
291.23126	7.3
298.25842	4.8
301.21613	5.4
303.23212	12.0
315.23169	9.2
319.22583	10.5
329.24786	6.3
339.23114	15.1
357.24298	43.1
375.25522	25.9
393.26245	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	393.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01855	6.5
55.05507	100.0
55.58462	1.6
56.96553	4.1
57.03433	23.2
57.55555	1.7
59.05003	2.2
60.04499	1.7
61.02916	7.3
67.05504	3.6
69.03429	21.7
69.07049	2.7
69.93499	6.7
69.93916	3.0
70.30045	1.5
71.01357	3.1
71.04987	16.1
73.02503	3.5
73.02911	60.6
79.05490	3.8
81.03416	5.7
81.07053	10.5
83.08613	69.5
83.09117	3.7
85.02900	28.7
86.09693	1.7
87.04468	4.9
89.03931	2.5
91.05500	4.1
93.07040	2.1
95.04963	3.9
97.02880	54.0
98.20844	2.2
98.97577	4.1
99.04442	2.9
101.09641	4.4
103.03975	1.6
105.07018	2.9
107.04959	4.4
109.02878	2.8
109.06510	2.6
111.04426	2.4
115.03918	32.6
116.98620	4.2
117.03375	2.9
119.04946	2.6
121.06499	3.5
123.04494	1.8
124.03920	2.8
125.02349	7.0
127.03900	3.9
133.04953	47.0
134.99612	2.5
135.04459	2.6
137.05983	6.1
145.02838	6.1
145.04964	2.5
147.11633	1.7
149.05916	2.0
151.03879	3.1
153.05522	1.6
158.99683	2.1
161.05885	2.6
163.03973	2.4
163.07542	3.0
167.07037	4.0
170.04411	2.3
177.05379	8.8
179.05499	12.2
182.08151	2.1
188.54933	1.9
193.08566	2.8
195.10168	3.8
215.09094	2.4
217.44026	1.8
225.06903	2.1
231.12013	3.9
304.11322	1.8
307.04782	3.5
375.11905	2.5
393.12866	2.1
393.17245	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21914	0.9
53.03947	1.3
53.21617	0.8
55.01866	1.8
55.05502	9.5
57.03455	2.1
57.07073	7.3
58.63985	0.8
61.02903	0.8
63.36399	0.8
65.03937	1.1
67.05499	9.6
69.03418	4.8
69.07060	17.2
69.07407	1.6
70.06576	3.7
71.05000	4.6
71.08630	1.1
71.58294	1.6
72.08125	1.8
73.02899	0.9
76.59715	0.9
79.05486	11.5
79.07652	0.9
81.03408	2.6
81.07054	29.4
82.06566	1.1
83.04980	1.9
83.08612	9.1
84.08105	1.1
85.02896	11.6
85.06529	14.0
85.10163	1.1
86.09690	3.2
91.05464	6.1
93.07038	23.4
95.04956	1.6
95.08599	51.5
96.08949	1.3
97.02888	3.0
97.06519	2.4
97.10159	9.7
98.09631	1.0
98.97591	1.4
99.04422	1.1
99.08089	7.7
105.07037	3.4
107.04939	1.6
107.08584	39.7
109.02873	1.2
109.06507	1.6
109.10148	24.3
111.08078	2.7
111.11720	2.8
113.09613	1.7
116.98656	1.9
117.82465	0.9
119.08588	2.2
120.08053	0.9
121.02937	1.2
121.06518	1.5
121.10136	45.7
122.06046	2.0
122.10470	1.6
123.11690	9.4
125.09629	3.1
125.13244	0.9
127.03904	4.4
127.11132	1.1
131.04829	1.1
133.10132	1.5
135.04457	1.3
135.11691	14.5
136.07559	1.9
137.05969	3.6
137.13223	6.3
138.08841	0.8
139.11125	4.3
145.02798	1.1
145.04973	1.0
146.06033	4.7
146.11774	3.1
147.11722	1.2
149.05943	1.8
149.13278	4.4
151.03929	2.4
151.14815	2.4
163.07483	1.0
165.16374	5.6
167.07005	1.1
177.00705	1.0
177.05460	3.1
177.16370	100.0
178.16728	3.4
179.10703	1.0
182.43146	1.0
183.17422	7.4
195.17432	67.7
196.17758	2.3
204.08792	2.8
213.18471	19.5
214.18929	1.3
216.08789	37.7
217.09279	3.6
218.10535	1.4
219.01854	1.0
225.06453	3.6
226.07182	1.0
230.10342	3.4
231.19528	41.8
232.19884	1.6
236.19966	1.1
240.08778	17.1
241.09029	1.9
246.09824	2.2
252.06139	1.0
268.08258	1.9
272.11221	1.9
300.10883	17.4
301.11136	2.9
315.12326	1.0
333.13171	1.2
347.13766	0.9
361.12613	2.5
375.14267	1.6
393.09085	7.1
393.15115	14.8
394.15210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	6.4
67.05490	7.0
69.07098	4.4
71.63342	5.9
79.05486	6.2
81.07021	8.7
83.04937	4.7
83.08622	4.4
85.68124	3.9
91.05467	19.4
93.07010	8.6
95.08636	7.1
95.31012	4.4
103.05468	7.6
105.07027	10.6
107.08587	5.8
109.10159	7.6
115.05455	14.4
116.98648	6.4
117.06995	23.5
119.08593	5.9
123.04417	66.1
129.06985	8.1
131.04944	13.0
131.08566	11.4
133.06461	11.5
141.06985	4.9
143.04898	11.5
145.06494	29.1
147.04417	6.8
147.11656	5.7
149.05971	9.2
153.30482	4.3
157.10155	4.9
159.08038	4.8
160.05196	7.9
161.05968	53.4
163.07509	48.5
169.10110	8.0
171.11639	5.4
173.05971	15.8
175.07495	18.3
177.05461	12.7
177.08974	4.7
179.07014	28.9
187.07565	14.9
189.05461	6.3
189.09148	25.1
191.06996	12.5
191.10616	4.8
197.09589	9.9
201.09134	17.5
203.10651	7.9
209.09663	4.6
215.10699	34.2
225.09113	8.7
231.10014	5.6
243.10211	12.9
271.13318	8.8
275.10965	4.7
277.08636	10.9
285.09378	6.1
303.10107	6.3
306.08914	5.4
313.08258	5.9
318.33688	4.5
321.11011	5.3
323.09225	6.6
331.09415	10.7
331.48380	4.6
346.11917	10.2
349.10675	14.6
352.12836	5.0
357.14725	6.0
364.13089	28.3
375.15936	9.0
393.16946	100.0
393.25317	10.5
394.17072	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	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
56.88139	0.3
57.03422	0.4
57.07061	0.6
67.05482	1.3
68.05016	1.8
69.03412	0.7
69.07057	2.1
69.67344	0.8
69.67757	1.1
70.06596	0.5
71.04995	0.4
79.05477	1.0
81.07048	3.9
83.04987	0.3
83.08603	1.2
85.02884	1.4
85.06527	1.4
91.05462	1.0
93.07022	2.3
95.08600	6.5
97.02867	0.6
97.06514	0.3
97.10155	1.1
99.08093	0.4
105.07012	0.5
107.08585	3.7
109.10146	3.0
111.08054	0.6
111.11707	0.4
121.02875	0.5
121.10133	6.6
123.11689	1.1
125.05971	0.5
130.05009	0.8
135.11719	1.7
137.05943	1.2
137.13237	1.1
139.11180	0.4
140.03418	1.0
149.04625	0.6
149.13272	0.5
165.16344	0.6
166.07320	0.7
172.06055	1.0
177.16374	15.0
183.17496	0.8
189.06494	0.8
194.75771	0.3
195.17418	6.9
195.19089	0.6
197.11691	0.5
201.06413	1.8
202.07249	1.3
203.08008	1.1
204.08812	6.3
213.18494	2.6
214.07173	0.3
215.07890	1.7
216.08789	100.0
217.09439	3.9
218.10365	5.6
225.06451	9.0
226.07228	3.7
227.07983	0.9
228.08827	0.8
229.09647	0.5
230.10355	9.9
231.19534	5.3
240.08789	54.6
241.09462	2.8
242.06644	0.4
242.10403	0.6
246.09843	6.5
255.09731	0.5
258.09799	2.3
268.08264	4.9
269.08539	0.5
272.11438	4.0
274.47919	0.4
283.06439	0.3
283.09280	1.7
300.10895	54.5
301.11224	1.9
311.08990	0.6
315.12085	1.2
321.07581	0.4
333.13065	3.4
343.11401	2.7
361.12506	6.3
365.09744	0.5
375.14124	6.2
376.14392	0.4
393.09558	3.1
393.15109	42.5
394.15369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05499	1.4
55.93526	44.2
56.96562	1.1
57.07881	1.1
65.03931	1.1
67.05505	2.8
67.83385	1.1
69.03415	3.1
69.07066	2.4
71.63303	1.3
71.92990	2.6
72.93783	6.3
79.05494	5.7
81.03426	3.6
81.07056	7.1
82.65898	1.1
83.04955	2.0
85.02891	2.7
85.06499	1.2
86.09706	1.5
90.94832	3.7
91.05486	4.3
93.07051	3.1
95.04973	2.2
95.08590	3.9
97.02890	1.5
102.04700	5.5
103.05489	7.5
105.07043	3.9
107.04987	1.2
107.08602	2.9
108.95889	1.3
109.02880	2.7
109.10162	2.2
116.98615	1.4
118.04173	4.2
119.04977	1.9
119.08574	1.8
121.06490	1.5
121.10179	1.9
123.08021	1.8
127.03916	2.2
129.07013	1.6
129.97278	1.2
131.04924	8.6
131.08501	1.9
133.10112	1.7
137.05997	1.9
137.09602	1.7
145.06398	1.4
147.04391	1.4
147.11723	1.8
148.05173	1.9
149.02283	1.7
149.05972	1.4
149.09625	1.7
151.07507	1.9
154.06195	1.8
155.98592	1.5
157.10222	1.6
161.06078	1.3
161.13205	1.4
163.99208	3.2
166.35965	1.1
167.07057	1.7
174.98334	1.7
175.11154	1.5
175.99165	3.7
178.98003	1.5
182.97459	1.4
183.98203	2.0
189.97180	1.4
192.99504	3.7
194.97403	4.8
195.11589	1.1
197.08119	11.4
199.97603	2.0
203.98688	15.0
206.97404	1.4
207.98212	3.0
212.98422	6.2
218.97409	2.2
219.98215	2.0
220.98956	21.6
221.99721	27.0
223.97659	1.3
233.96132	7.3
235.97650	29.4
235.99913	2.3
236.98404	3.4
237.99252	6.1
239.00002	27.8
239.02238	1.9
240.00798	31.8
244.00577	2.8
245.01357	6.9
253.98717	8.4
257.01163	1.6
262.01581	1.5
263.02417	1.9
269.02643	1.8
277.00388	1.2
296.05011	1.4
307.00491	1.8
311.00079	2.5
323.03506	1.3
324.04330	5.3
325.01477	2.7
334.02969	1.8
342.05551	1.4
352.03906	100.0
353.04089	4.1
370.04990	90.1
371.05286	4.0
393.06387	26.5
393.10995	1.3
393.18292	1.3
393.27429	1.8
393.91251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01844	0.4
55.05501	0.4
56.96545	0.8
57.03434	1.4
60.04524	2.9
61.02912	1.4
67.05495	1.0
69.03424	3.5
69.07047	1.3
70.06564	0.7
71.04957	0.8
71.08650	0.5
71.42976	0.7
72.08089	0.4
73.02901	1.0
74.06075	0.4
79.05484	0.9
81.03409	1.4
81.07051	0.7
82.06567	1.1
85.02898	7.2
85.06558	0.4
87.04454	0.8
91.03938	0.4
91.05473	0.9
93.07036	0.7
94.06566	3.2
95.04965	1.2
95.08587	0.8
96.08126	0.5
97.02901	3.5
97.06499	0.5
98.97566	0.6
99.04443	0.7
105.07011	1.0
106.06537	0.8
107.04931	0.5
107.08595	0.8
108.08154	0.9
109.02866	1.4
109.06499	0.9
110.06027	3.4
110.09691	0.6
111.04420	0.4
111.08072	0.8
112.07595	1.0
113.05997	1.6
114.05495	0.3
116.98619	0.7
119.08569	0.4
120.08105	0.6
121.06493	0.9
121.10181	0.3
122.06019	7.6
122.09650	1.0
123.04459	0.4
124.07588	2.3
125.05975	0.7
126.09119	0.7
127.03880	1.8
131.08553	0.8
133.08853	0.6
133.10104	0.5
134.09630	1.1
135.08025	1.1
136.07574	2.5
136.11205	1.3
137.05969	0.9
138.09120	3.7
139.03906	0.5
139.07526	1.8
140.07056	12.5
142.08603	0.9
145.04929	1.2
146.09676	0.6
146.99644	0.7
148.07553	0.5
148.11188	2.7
149.02315	1.5
149.06007	0.7
149.09583	1.6
150.02669	0.5
150.09132	1.2
152.06952	0.4
153.05444	2.2
154.08626	16.2
156.10162	0.9
164.10664	0.5
166.12267	4.8
167.06982	0.6
167.10651	1.3
168.10187	1.3
176.10698	3.7
177.00644	0.4
177.05392	0.9
177.09093	0.8
194.11757	9.7
195.06506	2.1
195.10130	0.6
198.07489	0.3
212.12787	7.9
228.12495	0.4
229.12590	0.4
230.13863	100.0
231.14172	2.9
237.02811	1.0
392.14703	0.4
392.19388	2.3
418.97742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	1.0
57.03433	1.4
61.02916	1.1
67.05503	0.8
69.03434	2.8
70.40523	2.3
73.02911	1.4
78.04679	0.5
79.05481	3.5
81.03423	1.6
81.07069	0.5
85.02903	11.4
91.05470	1.8
93.07059	1.3
95.04970	1.9
97.02898	3.2
103.05466	4.1
103.29839	0.5
105.03381	0.5
105.07028	2.9
107.04950	40.6
107.08596	1.4
108.05281	1.0
109.02866	1.5
109.06530	0.5
115.05453	1.9
117.07014	1.6
119.08585	0.6
120.05703	1.4
121.06504	1.0
121.10183	0.5
123.04395	1.7
124.05199	1.3
125.06011	0.7
127.03909	1.7
131.04915	1.5
131.08493	0.6
133.10124	0.6
135.04466	0.6
135.08052	13.7
137.05933	2.3
138.06335	0.8
139.03856	0.6
145.04970	1.4
145.06496	0.5
145.07594	1.3
147.04410	0.6
149.02341	0.9
149.05931	2.6
151.03870	2.9
152.04660	0.6
154.06210	2.6
155.06848	0.6
162.06526	0.5
163.07536	36.3
164.07893	0.9
167.07033	94.8
168.07375	2.4
177.05475	3.0
177.09167	0.6
180.07744	3.5
181.08603	1.6
184.95039	0.5
185.07024	0.8
195.10162	48.0
196.10451	2.0
210.54300	0.5
213.11205	100.0
214.11530	3.6
216.08812	0.5
230.11812	0.9
231.07562	1.3
233.13782	0.5
241.08627	0.8
273.11160	0.6
301.10800	0.8
311.36377	0.6
347.14941	0.5
365.10455	0.6
392.08322	1.5
393.09048	0.5
393.20764	1.2
398.17877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75172	1.0
53.03926	1.2
55.05494	1.1
61.02922	1.6
69.03424	4.1
69.69183	8.1
70.06581	2.5
71.38668	1.0
72.06223	1.0
76.39928	1.4
79.05479	3.9
81.03409	1.9
81.07043	2.4
83.01308	1.1
84.04474	1.0
84.27278	1.4
85.02898	9.5
91.05479	2.2
93.07055	1.5
95.04936	1.4
97.02865	3.1
101.02357	1.2
103.05448	3.5
105.07029	4.6
107.04947	35.9
107.08587	2.6
109.06578	1.3
115.05482	2.4
116.07124	1.2
119.05054	1.1
121.10135	2.3
124.05206	1.7
126.09148	1.9
127.03891	3.2
131.04907	2.6
135.04370	1.9
135.08041	11.0
136.07565	1.5
137.05937	2.3
138.06245	1.0
144.10129	5.3
145.02794	2.2
145.04916	1.9
149.09633	2.4
151.16624	1.3
163.06198	0.7
163.07532	27.9
167.07031	84.7
168.07353	2.1
175.73085	1.1
177.09128	3.3
180.07715	1.9
181.08640	1.4
195.06538	3.1
195.10146	23.6
213.11195	100.0
214.11560	3.4
352.06448	1.3
393.15991	1.8
393.24554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.01881	3.2
55.05502	9.6
57.03418	2.9
57.07072	9.6
57.94881	1.9
59.04986	2.2
65.86839	2.2
67.05495	22.3
69.03425	18.1
69.07059	16.0
69.35584	22.5
71.04984	8.3
71.08633	4.0
79.05486	11.9
81.03412	3.6
81.07053	55.3
83.04993	5.8
83.08604	5.6
85.02914	13.4
85.06536	19.6
86.09689	6.0
87.00890	2.3
91.05469	10.1
93.07026	31.0
95.04951	9.0
95.08603	33.2
97.02889	2.8
97.06516	4.9
97.10160	5.6
99.04459	5.2
99.08102	2.4
103.05447	2.2
105.07021	14.8
107.04985	2.7
107.08591	32.3
107.18959	2.2
109.02876	3.2
109.06494	12.9
109.10149	40.7
110.10462	2.4
111.04439	2.6
111.08060	4.2
117.07004	2.3
119.04926	2.4
119.08566	18.7
121.06516	6.9
121.10131	20.9
123.08057	3.5
123.11703	18.1
125.06094	3.2
125.09627	29.5
127.03909	5.5
127.07576	2.4
127.11157	3.3
131.04941	2.4
131.08583	6.1
133.10135	13.7
135.08069	7.0
135.11688	13.3
137.05983	11.3
137.09624	16.8
137.13318	4.8
139.07564	2.2
139.11198	4.9
143.06995	2.4
143.10675	6.8
145.10129	9.4
147.08029	3.6
147.11688	7.3
149.02327	31.2
149.09569	4.9
149.13269	4.3
151.11169	10.2
153.09100	4.7
153.12738	2.4
155.06972	3.0
157.10143	2.7
159.11700	7.0
161.05989	2.2
161.09631	5.6
161.13257	8.2
163.07570	4.2
163.11130	2.5
163.14842	2.7
165.09102	18.5
165.12721	2.2
167.03398	2.5
167.06990	3.0
167.10690	4.6
169.12207	7.1
173.13281	4.5
175.07651	2.6
175.11188	4.7
175.14841	6.5
177.05464	3.1
177.12813	3.2
177.16360	3.5
179.10686	3.3
183.06557	5.7
183.10150	3.7
195.13721	3.3
201.16452	3.9
203.10652	2.4
203.14355	3.0
211.16833	2.2
213.14790	2.6
213.18584	2.4
215.06761	2.3
217.15965	2.3
217.19592	3.1
221.15436	2.3
229.19865	3.5
235.17014	2.3
241.19542	3.6
245.15245	2.7
259.20721	2.3
273.22134	3.1
275.23578	2.5
277.21542	3.7
283.20480	6.5
295.22958	3.5
301.21555	25.4
302.21759	3.0
307.22641	4.4
319.22656	34.4
337.23697	31.4
355.24881	6.7
391.13474	4.2
391.17316	100.0
392.17554	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2688
Annotation	bhos#24
Peak:m/z	Relative Intensity
55.01851	2.0
55.05507	9.0
57.07056	6.3
59.04996	2.6
62.99932	1.6
67.05499	21.5
69.03419	19.8
69.07069	16.4
70.59331	3.1
70.59669	2.8
71.04970	6.3
72.33035	1.5
79.05493	7.8
81.07051	56.2
83.04965	2.4
83.08605	6.6
85.06529	17.3
88.52873	1.9
90.06469	1.7
91.05458	7.3
93.07042	23.7
94.73809	1.7
95.04955	6.6
95.08602	24.6
97.06533	4.5
97.10190	3.7
99.08058	2.6
105.07018	10.8
107.04932	2.2
107.08594	30.3
109.06494	5.3
109.10155	61.1
111.08078	3.7
113.06045	2.2
117.06973	2.6
119.08588	13.2
121.06470	3.9
121.10139	21.6
123.08052	3.3
123.11697	25.3
125.05988	2.8
125.09630	45.7
127.11232	2.1
131.08574	6.6
133.10136	11.7
135.08051	5.5
135.11659	9.5
137.05965	5.2
137.09602	18.4
137.13258	3.3
139.11162	6.3
143.08586	2.2
145.10115	5.4
146.19014	1.9
147.08037	3.9
147.11681	6.2
149.02342	12.8
149.09586	6.3
149.13231	2.6
151.03896	2.1
151.11174	14.4
153.09169	3.4
155.07079	2.2
157.10187	2.6
157.26483	1.8
159.11678	5.8
160.08817	2.2
161.09573	1.9
161.13242	7.2
163.11224	3.1
163.14717	1.9
165.09122	17.6
165.12718	1.9
167.03450	2.1
167.10652	6.0
168.95950	1.7
169.12195	9.3
171.10144	3.4
173.13219	6.8
175.11180	2.3
175.14766	4.2
177.09030	4.6
177.16370	2.2
179.10674	2.1
183.10233	2.1
195.10292	2.4
201.16347	2.8
217.16058	2.5
219.13869	2.0
221.15335	3.3
226.91176	2.2
229.14156	7.4
241.19496	2.9
259.20633	2.6
275.23480	3.0
277.21674	3.1
283.20474	4.2
289.21512	2.1
295.22531	2.5
301.21561	22.4
319.22565	32.1
320.22910	3.1
337.23715	30.3
352.41458	2.0
355.24771	9.8
391.08282	3.7
391.19354	100.0
392.19888	12.1
393.50214	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2688
Annotation	bhos#24
Peak:m/z	Relative Intensity
50.89855	3.0
53.03942	3.9
53.53376	3.0
55.05513	17.8
57.03434	4.3
57.07064	13.1
60.98395	3.3
61.62558	2.9
67.05507	41.2
69.03423	32.5
69.07061	25.9
69.51814	13.9
69.52237	12.4
71.04986	11.7
71.08626	4.2
72.08131	10.2
79.05484	20.3
81.03403	6.3
81.07055	80.2
81.64650	4.0
82.12304	3.0
83.04970	12.8
83.08649	5.4
85.02901	14.1
85.06538	29.2
86.09695	5.1
91.05470	21.3
93.07025	40.0
95.04951	16.4
95.08601	50.0
97.02870	5.8
97.06512	10.1
97.10149	3.5
99.08083	5.4
105.06998	20.6
107.04893	3.3
107.08585	44.3
109.00692	3.5
109.02863	4.0
109.06535	9.1
109.10154	100.0
111.08077	6.4
113.05983	4.1
116.04977	15.5
118.06507	16.7
118.66326	3.6
119.08591	17.6
120.08115	10.5
121.02862	3.6
121.06480	6.4
121.10117	27.7
123.08096	5.2
123.11705	31.5
125.05997	7.5
125.09618	63.1
127.03879	5.8
131.04883	3.8
131.08559	12.3
133.10109	16.5
135.08038	9.3
135.11725	23.4
137.05981	13.9
137.09631	33.4
137.13232	8.4
139.11186	11.0
143.06992	3.7
143.08633	4.6
143.10689	7.2
145.10129	9.0
147.07971	6.0
147.11653	7.4
149.02324	49.9
149.05965	4.3
149.09637	9.5
151.11145	21.6
153.09099	8.5
153.12804	5.7
155.10699	4.0
157.10106	4.5
159.11699	7.7
161.05997	4.3
161.09674	6.5
161.13332	6.7
163.07559	3.9
165.09082	30.8
167.03360	5.9
167.06996	8.3
167.10628	8.6
169.12230	16.9
171.10196	6.3
172.11194	9.4
173.13255	6.0
175.11142	4.8
175.14836	9.7
177.05495	3.7
177.12749	3.9
177.16527	3.5
185.13278	3.6
193.15884	7.9
195.10155	4.3
195.13834	9.1
201.16386	6.4
211.16942	10.2
217.13374	6.2
221.15376	6.7
229.17967	7.5
259.20734	3.4
275.10144	4.7
277.21487	4.2
283.20535	8.0
292.12872	7.4
295.22650	4.6
301.21576	27.8
307.22729	4.2
319.22665	57.7
320.23184	3.8
337.23676	37.3
346.17551	11.4
355.24707	16.2
391.11938	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2325
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
50.94804	1.6
55.01857	1.7
55.05512	7.8
57.03432	4.8
57.07058	1.7
61.02914	4.7
67.05489	6.8
69.03432	19.9
69.07063	14.4
70.55945	4.9
71.04975	3.8
72.08146	13.5
73.02912	3.7
73.74797	1.3
79.05477	10.2
81.03422	7.8
81.07053	20.8
83.04949	1.9
83.08612	3.2
84.04502	5.7
85.02900	46.8
87.04433	1.4
91.03943	2.3
91.05470	10.1
93.07031	24.0
95.04974	7.8
95.08600	12.2
97.02875	13.1
97.06533	2.1
99.04429	2.4
105.07008	10.6
106.76691	1.3
107.08588	24.2
109.02832	4.0
109.06506	11.6
109.10136	11.4
110.50718	1.4
111.08079	1.8
112.83120	1.5
118.06550	9.5
119.08569	16.0
121.10128	15.8
123.08018	3.2
123.11698	18.6
125.09599	2.9
127.03931	8.2
128.34102	1.5
130.04971	8.6
133.10110	18.3
135.11731	9.1
137.05934	6.6
139.11136	1.6
143.10678	1.7
145.04962	9.4
147.07625	11.8
147.11700	3.8
149.02315	9.2
149.13254	3.4
151.03745	1.5
151.11171	100.0
161.02937	2.2
163.11157	1.4
163.14789	3.5
167.14349	2.4
169.12225	84.7
173.02989	4.3
175.14824	26.0
193.15871	28.1
195.10205	2.3
211.16920	17.9
215.03940	1.8
221.88333	1.5
224.81953	1.7
228.10042	1.8
229.17973	92.1
230.07848	8.3
230.18398	1.8
245.12846	4.5
266.58228	1.6
269.95996	1.7
292.12836	7.0
295.56152	1.6
391.07458	2.3
391.14304	2.0
392.13245	7.5
403.14383	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	391.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94804	1.6
55.01857	1.7
55.05512	7.8
57.03432	4.8
57.07058	1.7
61.02914	4.7
67.05489	6.8
69.03432	19.9
69.07063	14.4
70.55945	4.9
71.04975	3.8
72.08146	13.5
73.02912	3.7
73.74797	1.3
79.05477	10.2
81.03422	7.8
81.07053	20.8
83.04949	1.9
83.08612	3.2
84.04502	5.7
85.02900	46.8
87.04433	1.4
91.03943	2.3
91.05470	10.1
93.07031	24.0
95.04974	7.8
95.08600	12.2
97.02875	13.1
97.06533	2.1
99.04429	2.4
105.07008	10.6
106.76691	1.3
107.08588	24.2
109.02832	4.0
109.06506	11.6
109.10136	11.4
110.50718	1.4
111.08079	1.8
112.83120	1.5
118.06550	9.5
119.08569	16.0
121.10128	15.8
123.08018	3.2
123.11698	18.6
125.09599	2.9
127.03931	8.2
128.34102	1.5
130.04971	8.6
133.10110	18.3
135.11731	9.1
137.05934	6.6
139.11136	1.6
143.10678	1.7
145.04962	9.4
147.07625	11.8
147.11700	3.8
149.02315	9.2
149.13254	3.4
151.03745	1.5
151.11171	100.0
161.02937	2.2
163.11157	1.4
163.14789	3.5
167.14349	2.4
169.12225	84.7
173.02989	4.3
175.14824	26.0
193.15871	28.1
195.10205	2.3
211.16920	17.9
215.03940	1.8
221.88333	1.5
224.81953	1.7
228.10042	1.8
229.17973	92.1
230.07848	8.3
230.18398	1.8
245.12846	4.5
266.58228	1.6
269.95996	1.7
292.12836	7.0
295.56152	1.6
391.07458	2.3
391.14304	2.0
392.13245	7.5
403.14383	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	391.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01867	10.1
55.05493	5.8
56.96572	1.8
57.03428	4.6
57.07069	5.6
59.04976	2.4
61.02913	2.4
65.03924	2.1
65.14156	1.4
67.05485	4.1
68.99780	3.6
69.03429	23.5
69.07059	4.0
69.38747	1.5
71.04992	26.5
71.08625	2.0
71.60525	2.1
73.02904	4.9
73.06528	2.3
79.05482	6.2
81.03059	1.6
81.03422	18.8
81.07049	9.5
83.04976	8.2
83.08602	5.2
85.02901	51.6
85.06537	10.0
87.00826	18.4
87.41145	1.6
91.05480	3.2
91.10376	1.4
93.07024	6.6
95.04971	13.9
95.08596	5.4
97.02893	21.2
97.10162	11.9
99.04449	9.0
100.20070	1.2
101.69936	1.5
103.03862	1.4
105.01859	12.6
105.07032	3.7
107.04930	2.7
107.08585	53.9
108.08913	1.5
109.02869	21.2
109.06499	4.4
109.10159	5.8
111.04445	1.6
111.08056	1.8
117.01855	2.0
119.08548	3.5
121.06490	3.4
121.10154	3.0
123.04416	1.8
123.08049	3.8
123.11665	2.1
125.09624	97.0
127.03920	35.2
127.11227	1.4
129.01828	2.9
131.08551	3.4
137.05971	7.8
137.09613	7.6
139.46367	1.3
141.09109	3.9
143.10666	100.0
145.04926	12.1
147.02864	2.2
147.08014	2.4
149.02335	20.9
149.05951	3.0
149.09604	3.8
153.09013	2.4
159.02872	12.1
159.07957	1.4
165.05482	2.6
165.09119	3.4
167.03377	3.5
167.07018	9.3
167.10661	16.3
171.10153	4.0
179.07054	2.2
179.10704	1.8
180.56804	1.4
183.10165	4.7
189.03973	2.6
191.10689	3.2
193.15851	3.4
194.16188	2.7
209.11664	6.3
229.18063	1.8
231.05035	4.3
233.11642	9.4
373.15344	3.3
391.10992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31285	0.7
51.94131	0.8
52.19975	0.6
53.03935	1.6
55.01856	2.2
55.05490	1.0
57.03416	1.7
57.07062	1.5
61.02911	1.9
68.99744	0.7
69.03430	6.2
70.85349	2.1
71.04996	5.9
71.08623	0.8
73.02905	3.2
73.06537	0.9
79.05466	2.1
81.03403	7.5
81.07053	1.3
83.04958	2.2
83.08617	1.6
85.02897	14.2
85.06518	3.0
87.00831	5.1
91.03949	0.9
91.05462	2.7
95.04936	1.3
95.69338	0.7
97.02885	4.4
97.10140	2.4
98.97561	1.1
99.04449	1.7
102.46149	0.7
103.05470	0.9
105.01827	2.5
105.06986	1.0
107.04933	3.0
107.08585	13.1
109.02860	5.6
109.06475	0.8
110.97540	0.7
115.03934	0.7
116.98610	1.0
119.04941	1.2
121.02917	0.9
121.06467	1.4
124.07581	0.8
125.06004	1.0
125.09625	25.7
125.10542	1.5
127.03910	11.3
131.04921	1.0
135.08041	1.3
137.04987	1.4
137.05971	16.3
143.10664	22.0
145.04961	4.7
147.04373	1.2
149.02319	8.4
149.05978	4.9
151.03854	1.2
151.07516	1.0
159.02837	3.5
161.06015	1.7
162.06592	0.7
163.07523	3.4
167.03360	1.0
167.07021	7.6
179.06999	1.7
181.06538	1.3
182.95445	0.7
191.06985	0.8
193.04948	2.0
195.10130	1.4
207.06480	1.2
211.14473	1.1
213.11191	6.6
228.12315	0.8
229.12701	1.3
229.15442	1.8
229.17770	0.7
231.05070	1.4
241.08662	1.0
253.08292	1.1
259.11615	1.0
263.65576	0.7
273.11209	2.9
285.11215	1.2
299.09210	1.2
310.11505	1.7
323.09818	0.7
329.09930	0.7
391.15668	100.0
392.16080	4.4
408.18423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1574
Annotation	Chidamide
Peak:m/z	Relative Intensity
53.65944	0.5
61.02917	0.6
69.03423	1.9
71.04982	1.1
71.08611	0.7
71.33722	1.4
73.02917	1.0
77.33677	0.5
78.81328	0.5
79.05469	0.6
81.03395	1.6
85.02901	3.3
85.06559	0.7
91.05470	1.0
95.04942	0.6
97.02891	1.4
97.06526	0.6
98.97590	1.7
105.07030	1.5
106.83484	0.6
107.04906	0.6
107.08573	1.1
107.42622	0.5
109.02911	0.9
121.06496	0.9
122.24594	0.5
122.71391	0.5
125.09627	2.4
127.03910	1.2
133.06541	1.0
134.63431	0.5
137.05968	4.9
143.10631	2.8
149.02339	6.0
149.06023	1.3
152.06172	0.6
158.99568	0.6
161.06004	1.8
162.06349	0.9
165.09161	0.8
167.07039	1.0
177.00636	0.5
193.08545	1.2
194.08974	0.9
198.45358	0.5
226.10187	0.6
237.02847	0.6
259.11484	1.0
273.11185	0.8
299.09171	0.9
329.10104	0.8
391.15652	100.0
392.16074	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.4
56.96559	57.3
57.03436	19.7
57.07060	8.0
59.05000	3.8
60.07591	3.9
61.02937	19.6
67.05482	5.4
69.03427	38.4
70.06574	6.6
70.22507	10.1
70.22896	7.0
71.04968	3.8
71.08621	12.0
72.08143	4.1
73.02907	32.2
77.00891	5.1
81.03392	10.9
81.04521	5.7
82.06567	5.5
83.06090	5.3
84.08125	7.0
84.96022	10.1
85.02895	62.7
86.03219	4.5
87.04463	5.8
89.03905	9.4
91.05488	6.6
97.02893	44.1
98.97572	57.9
99.04464	10.8
101.00871	8.6
109.02874	15.4
110.01308	3.9
110.06029	7.3
110.97606	8.4
112.99075	6.3
113.96011	3.6
116.98618	56.4
117.03373	11.5
119.01911	55.2
121.06455	7.3
127.03915	18.7
127.04945	6.8
128.05092	4.1
128.98569	23.1
131.00160	8.2
131.01874	19.9
133.03459	9.2
134.99651	34.9
137.02933	13.8
137.05989	8.2
140.00229	4.1
143.00172	6.9
143.01895	13.6
145.02716	10.7
145.03569	12.8
145.04991	12.7
146.99655	35.5
147.01338	5.6
147.04330	8.8
149.01189	18.3
149.02277	97.9
149.05896	4.3
150.05486	5.6
155.01900	5.9
155.08087	6.8
157.03448	8.1
158.99648	16.0
159.05038	11.0
161.01222	17.5
161.02925	35.3
162.99170	4.4
163.02751	4.9
163.04367	4.3
165.00670	12.6
167.03392	15.6
168.06535	5.0
169.03465	9.1
170.99683	7.8
173.01332	9.6
173.02962	30.0
174.99225	6.6
175.02744	16.2
175.04494	8.5
177.00734	37.5
177.04146	7.6
177.05426	36.5
179.02316	7.7
179.04016	9.4
181.03456	5.3
182.03503	5.5
184.04594	6.2
185.01239	5.2
185.02942	11.1
187.00876	4.3
187.02841	6.9
187.04514	34.4
189.00700	13.3
189.02386	9.2
191.02299	10.5
193.00241	6.7
193.03850	12.4
195.01671	4.7
199.04388	6.1
201.00740	13.6
201.06024	27.6
203.02365	6.9
203.04041	27.7
203.05806	7.0
205.00154	5.6
205.03798	7.3
205.05585	8.3
207.01819	7.9
209.03008	8.3
209.07732	5.0
215.04103	5.3
219.01776	39.4
219.03511	7.4
219.05295	8.6
219.07144	4.8
220.05963	11.6
221.04994	47.7
227.04062	14.5
227.08775	7.8
229.01797	5.1
229.03694	10.2
229.05702	8.7
229.11809	17.6
231.06990	5.0
232.96346	6.5
235.01244	5.2
235.06470	9.0
237.02800	68.1
237.06459	5.3
245.05066	40.4
247.04704	12.0
247.06944	27.8
255.03984	5.1
255.08148	5.6
257.05066	100.0
257.07819	6.5
259.06750	13.7
261.02844	5.4
263.00961	5.2
269.05551	5.0
271.04971	4.6
273.06372	6.7
273.09280	18.1
275.06122	15.9
277.03986	8.1
279.03796	5.1
281.01590	4.3
287.06168	63.3
295.06699	5.6
317.04932	4.3
323.10306	10.2
329.10803	6.5
331.08859	26.2
347.08105	12.3
349.09888	69.4
373.09857	15.6
391.02460	4.5
391.12564	28.9
391.16919	16.3
391.24237	4.5
409.03357	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	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.4
55.05493	1.4
57.03414	3.0
60.85524	0.9
61.02911	2.6
67.05474	3.0
69.03135	0.9
69.03423	11.5
69.07051	6.8
69.31797	1.1
69.46633	10.1
70.06535	1.7
71.04968	2.7
71.08595	2.9
71.52060	1.1
72.08123	1.7
73.02880	2.0
73.15641	1.0
74.13436	1.1
79.05482	5.6
81.03413	6.5
81.07031	3.6
84.04474	2.2
85.02890	22.1
86.09682	3.0
87.00784	1.8
91.05486	6.4
93.07024	3.8
95.04951	4.9
95.08557	1.4
97.02898	8.7
97.94467	1.0
98.97611	1.5
99.04424	2.8
101.02397	1.3
103.05457	5.3
105.07016	50.2
106.07327	2.0
107.04936	2.8
107.08563	2.6
109.02886	5.3
109.06507	2.6
114.09148	1.4
115.05437	10.4
118.04156	5.0
118.06536	2.0
119.08501	1.6
120.08119	1.8
121.02875	1.5
121.10110	2.9
123.11651	1.5
124.07564	1.9
124.11926	1.4
125.05973	1.3
127.03899	12.4
131.04897	2.9
133.06473	56.8
133.10141	1.5
134.06831	1.5
137.05963	8.1
138.09084	1.7
140.06949	1.2
142.08609	13.4
143.06003	4.0
145.02841	1.2
145.04935	4.8
145.06419	1.2
149.05916	1.5
151.03926	1.0
151.11154	8.7
153.05476	1.2
161.05960	100.0
162.06406	1.4
162.07625	1.6
166.08588	2.8
167.07008	1.6
169.12148	2.8
175.14738	1.1
177.05402	2.9
180.08702	2.0
184.09708	7.3
189.03856	1.4
193.08585	79.6
193.15782	2.0
195.06435	1.6
201.12302	1.5
208.09639	1.5
210.02231	1.9
210.14853	1.5
211.07820	1.1
211.09554	5.1
228.03122	2.5
228.12277	2.7
228.15996	1.6
229.17964	3.5
231.04880	1.6
250.10754	2.6
390.18048	3.1
391.07880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89505	0.9
51.22542	1.0
54.48840	1.0
55.01858	4.1
57.03431	2.2
57.62552	1.1
61.02916	3.1
61.33302	1.0
63.72268	0.9
69.03416	6.0
69.07056	1.3
69.69485	6.6
70.06582	2.2
71.37241	1.1
73.02914	1.6
79.05475	5.5
79.93089	1.0
81.03407	3.0
85.02905	15.5
87.00794	1.2
87.06433	1.0
91.05459	4.7
93.07041	1.2
95.04969	1.9
97.02890	4.9
98.21530	1.9
103.05449	6.0
105.07024	47.8
106.07372	1.0
107.04991	2.6
107.08603	1.8
109.02825	1.5
109.06516	2.6
115.05441	10.3
118.04165	3.7
119.04943	6.2
121.06507	3.3
123.08070	1.4
124.07575	4.3
125.09624	1.6
127.03899	3.6
131.04932	3.1
133.06485	53.7
134.03624	1.1
134.06853	1.2
137.05952	6.0
138.09143	2.4
142.08617	2.1
143.06047	2.5
143.10611	1.5
145.04971	3.5
147.04353	2.4
149.06010	4.9
151.03867	1.4
151.07544	3.3
153.05457	2.8
158.59918	1.0
161.05975	100.0
162.06316	2.0
163.07506	1.9
167.07034	4.8
168.07880	1.9
177.05568	1.1
179.06862	1.8
180.08624	2.4
184.09702	1.3
192.10271	1.1
193.08594	78.4
194.08826	1.8
196.07260	2.1
210.11169	2.5
211.09648	13.4
228.12291	14.0
235.62485	1.1
237.02834	1.4
273.11206	1.6
284.53729	1.2
293.08932	1.3
390.18063	29.2
390.22440	1.6
391.15353	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
56.96572	4.6
57.03427	3.0
57.22545	2.2
61.02914	5.1
67.05507	2.5
69.03432	18.3
71.59376	4.5
72.08147	2.8
73.02907	5.8
81.03427	6.1
81.07053	3.3
84.04535	2.1
85.02910	19.8
86.09731	3.3
87.04425	2.7
91.03993	3.8
95.04972	2.4
97.02885	8.8
98.97569	5.8
103.05473	3.6
105.07059	3.2
107.04942	2.7
116.98614	5.4
117.03362	3.9
121.06547	2.7
122.06049	4.9
124.07580	6.0
125.05985	4.3
127.03918	8.5
129.95015	2.4
131.04930	6.7
133.06441	2.3
134.99640	4.1
137.05969	8.0
140.07089	17.0
142.08627	19.0
143.04910	3.7
145.02846	7.2
145.04918	4.8
146.03673	2.6
147.04431	3.0
149.05981	5.8
151.03923	9.6
153.05475	8.6
154.08620	4.2
161.05974	6.3
163.03909	5.9
163.07562	6.5
167.07033	4.6
168.88731	2.7
175.07556	6.8
176.04593	3.2
177.04063	2.9
177.05475	34.5
179.07001	3.7
189.05466	4.9
191.07027	18.0
193.08714	3.6
195.06447	5.5
201.05424	3.3
203.07042	11.6
205.04941	6.4
207.06581	6.9
210.11266	10.2
213.05516	3.0
215.07011	5.0
217.04967	6.8
217.08536	3.1
219.01804	2.5
219.06575	20.4
221.04787	2.8
227.07016	5.6
228.12318	29.6
229.08607	4.6
231.06631	12.0
237.02782	6.9
243.06557	7.8
245.08133	5.3
247.06158	3.5
249.07555	9.3
255.06590	3.8
259.06030	2.7
261.07761	2.6
273.07559	10.2
279.07541	3.4
291.08698	10.2
301.07022	3.2
309.09653	15.3
317.09134	2.6
337.09167	100.0
338.09610	5.2
355.10196	15.7
373.11520	3.0
390.13663	3.1
390.17923	6.1
391.11746	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	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.96196	1.2
53.03936	2.5
55.01851	2.5
55.05519	7.2
57.03410	5.3
57.07050	1.9
61.02882	1.8
61.42737	1.4
67.05499	7.1
69.03427	9.7
69.07042	5.1
69.32112	16.8
70.06610	1.4
71.04991	25.1
78.34797	1.4
79.05461	4.0
81.03414	6.9
81.07059	12.4
81.70054	1.3
83.04997	11.8
83.08607	2.3
85.02416	1.9
85.02898	24.3
85.06544	10.4
91.05454	3.8
93.07035	12.4
95.04968	10.7
95.08603	9.8
97.02895	7.5
97.06481	5.1
98.21556	3.1
99.04452	78.6
99.08070	2.5
103.05450	1.5
105.07047	10.6
106.07298	2.5
107.04930	3.1
107.08585	21.1
109.02864	3.1
109.06516	7.3
109.10156	8.7
111.04381	1.7
111.08094	3.2
113.09613	3.9
119.04942	1.8
119.08605	7.8
121.06448	2.7
121.10140	11.7
123.04396	1.6
123.08115	12.2
123.11720	10.3
125.09609	9.1
127.03867	5.8
131.08557	3.6
133.06435	1.6
133.10118	17.5
135.08002	4.6
135.11652	5.2
137.05922	3.1
137.09599	3.1
139.11115	4.7
141.08978	2.2
145.04909	3.1
145.07565	1.9
145.10147	3.6
147.04358	4.9
147.09154	1.6
147.11679	10.1
149.05980	1.7
149.13251	6.7
151.07527	1.9
151.11172	8.4
153.05411	3.3
153.09064	4.9
153.12686	2.3
163.14830	2.6
165.09103	1.8
165.12718	5.0
167.06976	4.0
167.10641	2.3
169.12245	10.2
171.10133	2.0
173.07062	1.9
173.13200	7.9
175.07449	4.6
183.13814	21.3
191.08177	20.1
191.14328	8.9
207.06538	4.1
207.13724	3.9
209.15416	19.4
219.10091	3.0
227.08047	1.5
227.16412	100.0
228.16681	3.4
269.08063	5.8
303.14011	5.0
307.12848	6.8
314.11334	1.6
345.11285	2.3
345.15219	36.3
346.15536	3.4
371.15625	4.1
389.14008	90.8
389.21780	3.4
390.14435	8.4
400.67661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01864	3.9
55.05516	7.8
57.03432	3.9
57.07071	3.0
61.02920	2.4
64.01821	1.6
67.05500	8.4
67.26012	1.6
68.99778	1.8
69.03420	11.8
69.07068	8.3
69.31363	10.1
69.31786	8.2
71.04999	8.2
73.02927	2.4
79.05489	7.8
81.03407	4.8
81.07054	20.3
83.04974	8.2
83.08614	4.8
85.02905	21.2
85.06525	8.4
87.00842	2.4
91.05482	8.9
93.07037	21.4
95.04941	8.1
95.08595	26.2
97.02923	4.6
97.06501	4.7
97.10175	1.8
99.04446	13.5
99.08085	17.8
100.28728	1.5
101.05976	2.1
103.05524	1.8
105.07034	13.0
106.07352	1.8
107.04950	7.1
107.07868	2.3
107.08589	46.4
109.02876	5.3
109.06509	10.2
109.10147	16.5
111.08080	5.2
117.06984	1.8
119.08572	6.9
121.06477	13.8
121.10142	34.1
123.08067	17.1
123.11695	6.9
125.05983	3.2
125.09605	9.9
127.03889	8.0
127.11198	2.2
131.08582	13.0
133.10132	24.5
135.08043	13.6
135.11652	5.8
137.05971	2.2
137.09616	8.8
139.11176	4.9
145.04973	5.4
145.10135	3.3
147.11678	5.6
149.09619	55.1
149.13232	19.6
151.11179	17.8
153.09077	5.3
157.07585	1.7
157.39738	1.9
159.02841	1.9
163.11156	3.9
163.14815	22.3
167.07091	2.2
169.12198	2.3
173.13249	22.5
191.14294	60.1
192.14609	2.0
205.50792	1.7
209.15363	100.0
210.15698	2.7
227.16455	14.6
237.10262	2.0
265.09769	4.0
267.11279	2.6
293.09247	6.3
321.08380	2.8
339.09549	3.9
343.12082	1.6
389.13699	7.0
389.21521	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	389.2683
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
55.01864	1.8
55.05493	7.0
57.07067	2.3
61.33638	1.3
67.05497	10.8
69.06712	2.6
69.07066	31.1
69.84741	7.7
69.85146	2.4
71.05013	1.5
73.06540	2.3
79.05488	7.3
81.07058	20.6
83.04949	1.7
83.08618	2.2
84.87308	1.6
85.02900	15.0
85.06531	1.8
91.05470	5.1
93.07049	16.7
95.04967	4.4
95.08608	41.5
97.06538	15.7
99.04512	2.3
105.07027	7.9
107.08591	29.0
109.06524	4.6
109.10165	14.9
111.08075	3.8
111.11695	2.8
113.05969	1.6
115.07561	5.9
117.06988	2.3
119.08564	10.9
121.06501	5.5
121.10158	18.2
123.08106	2.7
123.11685	10.2
125.13256	2.5
127.03952	1.8
127.07549	1.5
131.08557	6.0
133.10106	8.8
135.08038	12.9
135.11641	9.4
137.05957	3.0
137.13223	7.2
139.07549	8.4
141.05461	5.0
142.07713	1.6
143.08574	3.2
145.10117	8.3
147.08034	3.4
147.11676	5.6
149.09576	3.3
149.13251	9.5
151.07532	6.8
151.11232	1.8
151.14812	1.9
153.09091	2.7
155.08594	1.5
157.10155	4.5
159.08073	2.2
159.11673	7.5
161.09639	4.1
161.13277	4.0
163.11208	2.4
163.14830	3.5
169.10121	3.1
171.11690	3.5
172.08807	2.9
173.09583	7.2
173.13280	6.4
175.07463	1.9
175.11218	1.8
175.14827	5.9
177.09123	2.0
177.12717	3.0
183.11707	2.5
185.13202	4.0
187.11174	34.7
187.12804	2.6
187.14815	3.2
189.12723	3.7
189.16360	3.2
191.10626	7.0
191.14299	2.5
191.17995	4.0
197.13234	2.4
199.14784	2.5
201.12781	5.1
211.14845	2.5
213.16286	2.9
215.10529	2.2
215.14290	7.8
217.12271	3.5
217.16010	2.5
229.15849	3.5
231.17424	3.6
233.11748	6.6
233.15408	3.0
245.22630	4.9
256.26480	1.9
257.15378	3.1
257.18951	3.2
271.20609	2.6
273.18408	1.7
275.16367	4.1
275.20056	6.5
277.19592	1.6
287.23682	2.4
289.21640	2.8
293.22571	2.4
297.18790	1.8
301.25516	1.6
311.23514	8.2
313.21616	12.2
325.25250	20.5
329.24744	100.0
330.24942	7.5
331.22589	4.1
353.24716	15.5
371.25754	42.7
372.26007	2.1
389.26834	81.6
389.42786	1.6
390.27057	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	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03930	1.1
55.01868	34.2
56.07793	0.8
65.03937	8.3
66.06049	0.8
67.05497	4.1
69.03410	3.1
69.28232	6.6
69.28658	2.8
70.98260	0.9
71.04961	1.3
79.05489	4.6
81.07061	1.7
82.04179	2.7
83.40600	0.8
85.02906	5.4
85.06544	1.2
91.05482	3.5
93.03406	1.8
93.07033	2.3
94.04173	1.4
95.04951	4.9
95.08604	1.3
97.02877	1.6
97.06510	2.6
99.12782	0.8
102.49712	0.9
103.05471	14.9
105.07016	1.8
107.04956	7.8
108.02085	1.4
109.06534	1.5
110.03657	3.4
111.04429	2.3
115.05479	1.5
117.07033	3.3
121.06482	3.3
121.10079	1.0
121.24044	1.0
122.03653	3.1
123.04402	4.6
124.05209	2.1
125.05988	3.5
127.03875	1.0
128.06235	2.0
129.06975	8.1
131.04008	1.5
131.04929	19.6
133.10097	4.3
134.10448	2.4
135.04475	1.2
135.08061	1.9
137.05974	31.8
138.03108	2.8
142.02634	2.7
145.06476	2.9
149.05969	9.3
151.07559	1.6
153.05507	2.6
155.07047	1.5
156.05743	0.8
157.06499	7.5
159.04408	1.5
160.05215	2.2
161.05988	2.6
163.03853	1.3
163.07510	8.7
167.07033	24.2
168.07394	0.8
171.06543	7.1
174.06694	4.2
174.13554	1.7
175.07521	16.1
177.05460	37.4
177.09135	1.0
178.05875	1.6
179.06943	1.2
181.04948	100.0
182.05292	2.5
182.17027	0.8
183.06500	3.1
185.06015	1.2
187.07530	2.2
188.08200	1.1
189.09091	11.1
191.07036	2.4
191.08594	1.1
191.14258	1.5
192.14658	5.7
199.07504	1.4
201.09117	1.2
203.06879	1.3
205.08586	2.6
207.06435	0.9
209.08078	57.0
210.08418	1.3
217.06586	1.9
217.08501	7.7
218.07236	2.1
219.08185	1.7
219.10187	5.8
221.08054	1.2
231.08011	1.3
234.06731	2.7
235.07527	1.5
235.09621	2.8
247.07474	2.1
248.08304	1.0
249.09138	4.8
251.06908	1.1
253.08409	1.0
257.08142	1.4
261.09158	2.8
262.06085	1.0
263.07114	1.1
267.09988	0.9
276.40015	0.9
277.08685	9.1
278.09344	2.1
279.10022	1.2
281.11868	0.9
283.09885	1.0
289.08585	1.3
291.10019	1.0
293.11853	1.9
299.05606	1.1
307.09659	1.3
309.11035	4.9
311.12796	1.0
321.11243	3.0
327.12280	1.4
339.12378	12.5
341.13864	4.1
353.13922	1.5
359.14972	3.0
371.14868	16.7
389.15945	65.8
390.16302	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	389.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
56.96564	0.8
57.03426	0.7
61.02917	0.4
65.38933	0.2
67.05496	0.4
68.05042	0.3
69.03429	0.9
69.07053	0.9
70.06574	1.7
71.04993	0.5
71.59656	0.3
73.02908	1.3
74.06094	0.3
79.05482	0.5
79.85506	0.3
81.03394	0.4
81.07047	0.7
84.08131	0.3
85.02901	2.2
86.09698	0.6
91.05482	1.0
93.07047	0.6
95.04953	0.7
97.02871	0.6
98.97582	0.9
99.04455	0.3
99.08073	0.3
105.07021	0.5
107.04943	0.4
107.08578	0.5
109.02870	0.4
109.06523	0.6
109.10201	0.3
112.07622	0.8
116.97878	0.3
116.98610	0.6
119.05024	0.3
119.08520	0.3
121.10153	0.5
123.04498	0.4
123.08103	0.3
124.07597	0.7
125.09659	0.3
127.03899	0.5
133.06480	0.3
133.10178	0.4
134.99684	0.6
137.05983	0.8
140.07079	0.6
141.05446	0.3
141.09070	0.3
143.08162	0.6
145.04930	0.5
149.05945	0.3
150.85643	0.3
157.07605	0.3
161.05960	0.3
166.08572	0.3
167.07043	4.1
168.07314	1.7
169.07571	1.7
172.83794	0.3
177.00766	0.5
179.06920	0.3
191.10715	0.3
195.07813	0.4
195.29501	0.3
202.45569	0.2
203.05251	2.0
209.11502	4.4
209.15291	0.5
210.11227	0.4
211.09529	0.3
227.09229	0.5
227.12630	3.7
227.16383	0.6
228.12325	0.7
237.02907	0.6
254.14989	1.8
259.47260	0.3
269.10681	0.7
287.11795	0.3
345.15186	1.6
389.17850	100.0
390.18243	2.7
394.52780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
52.57214	1.5
53.03925	1.8
55.01134	1.2
55.01870	36.3
55.05499	4.8
57.03408	1.2
65.03940	10.8
67.05483	4.0
69.03402	3.4
69.07066	2.0
69.47308	2.4
69.47722	7.6
79.05479	5.8
81.03398	2.4
81.07031	2.8
82.04173	3.7
83.04961	3.2
85.02896	8.0
91.05482	5.8
93.03379	2.1
93.07000	3.9
94.04193	1.1
95.04952	6.3
95.08585	2.2
97.06516	3.7
98.20745	2.3
99.04427	1.5
100.11239	1.6
103.05463	15.1
105.07022	3.2
107.04931	8.2
107.08566	1.3
108.02090	1.8
109.02853	1.2
110.03643	4.5
110.05946	1.2
111.04429	4.6
115.05447	2.8
117.06985	3.2
119.04922	1.3
119.08601	1.2
121.06471	4.6
121.10139	1.5
122.03634	3.4
123.04407	4.1
123.11694	1.2
124.05195	2.2
125.05968	4.9
127.03901	1.8
128.06203	2.5
129.06993	9.0
131.04919	18.3
131.08560	1.7
133.06473	2.1
133.10110	2.0
135.04420	1.4
135.08081	2.2
135.11668	1.2
137.05972	33.2
138.03125	2.7
140.04617	1.8
142.02606	2.7
144.05615	1.3
145.06482	4.8
145.07535	1.6
147.04445	1.7
147.08134	1.4
147.09140	5.3
147.11627	1.4
149.06009	12.2
151.03896	2.0
151.07518	3.9
152.04727	1.1
153.05437	7.2
155.07053	1.6
157.06453	6.6
159.08009	1.5
159.09157	2.4
160.05156	3.7
161.05928	3.7
163.07570	8.9
165.05492	1.6
167.07036	24.7
171.06526	8.8
173.05867	1.2
174.06760	4.2
175.07538	25.9
177.05470	33.8
177.09055	2.0
179.06964	1.2
181.04953	100.0
182.05351	2.7
183.06540	5.6
185.06006	2.1
187.07520	2.7
188.08398	1.2
189.09047	11.1
191.08243	12.7
191.14267	1.3
193.08589	1.3
195.08066	1.6
195.10049	2.9
199.07520	1.2
201.09131	3.2
205.08597	3.7
207.06427	1.9
209.08084	59.8
210.08423	2.5
217.08582	8.0
219.08113	2.2
219.10150	18.9
221.09764	2.0
227.06987	1.9
229.06464	1.2
231.07852	1.9
234.06644	1.6
235.07487	2.5
235.09651	4.8
240.07747	1.3
240.57994	1.2
245.12827	1.8
247.07487	1.6
248.08319	1.2
249.09023	4.9
253.08464	2.1
261.09088	4.9
262.09610	1.4
263.06943	1.2
263.13812	1.9
265.08627	1.7
266.09494	1.6
277.08548	9.5
278.09271	3.3
279.10129	2.8
281.11539	1.6
283.09662	2.4
291.10052	1.7
293.11630	2.0
295.09680	2.1
300.09750	1.5
306.08664	1.7
307.09525	2.3
307.12772	10.5
309.11133	7.2
311.12747	1.4
313.10666	2.9
313.14215	2.4
321.11197	3.5
327.12323	8.1
329.13870	1.7
339.12271	12.9
341.13831	8.2
353.13715	1.9
359.14856	14.8
360.15598	1.4
371.14838	15.1
389.16220	85.7
390.16592	4.6
404.85379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
51.04341	2.0
53.03921	2.8
55.01619	2.8
55.01872	40.1
55.05507	4.9
57.03424	5.6
58.20535	1.9
59.04998	4.5
61.02915	3.8
61.64301	1.8
65.03931	12.4
67.05485	7.6
69.03419	12.1
69.07056	4.1
69.30435	1.8
71.04984	2.9
71.60636	3.0
71.61007	3.5
71.75317	2.3
73.02939	2.3
73.33815	2.1
76.27966	2.0
79.05487	12.2
81.03420	5.1
81.07055	12.0
82.04205	3.8
83.04974	2.9
85.02888	20.2
85.06535	3.6
91.05467	11.5
93.07037	9.7
94.04179	2.9
95.04973	23.1
95.08601	6.0
97.02886	8.5
97.06516	6.4
98.85903	2.3
99.04462	3.3
103.05463	25.1
105.07017	8.1
107.04961	19.6
107.08579	8.7
108.02062	3.2
109.02857	3.9
109.06508	6.2
109.10189	5.5
110.03648	6.9
111.04436	6.8
115.05437	5.3
117.06998	5.7
119.04957	2.8
119.08579	7.8
121.02873	2.5
121.06494	8.2
121.10082	3.8
122.03683	5.6
123.04433	14.7
123.08076	5.7
123.11707	13.7
124.05133	3.5
125.05975	8.9
127.03913	7.8
128.06187	4.6
129.06996	19.4
131.04918	51.1
131.08563	8.4
132.05452	2.2
133.06491	5.1
133.10065	3.3
135.08080	2.7
137.05965	57.5
137.09550	2.9
138.03163	3.1
138.06317	2.9
139.03897	3.8
140.04677	3.2
141.06982	6.8
141.12703	3.5
144.05629	2.8
145.06485	9.0
147.04379	4.5
147.11620	3.6
149.06009	12.0
151.03946	3.2
151.07539	12.8
151.11183	6.3
152.04680	2.8
153.05446	6.7
155.07123	3.5
157.06499	15.4
157.10081	2.7
158.07272	4.6
159.04407	4.1
159.08034	4.5
160.05220	6.5
161.05981	8.5
161.09610	3.1
163.07527	21.1
165.05508	3.0
165.12741	10.6
167.07048	47.8
169.06438	3.4
171.06560	13.2
171.07864	3.2
173.05983	4.0
173.09550	2.8
173.13252	3.2
174.06750	21.4
175.07544	64.0
176.07967	3.6
177.05470	32.5
177.09033	3.9
179.06987	2.8
181.04953	100.0
181.08467	4.4
182.05376	4.3
183.06566	16.1
183.08064	3.4
186.06723	4.9
187.07516	10.7
188.08389	2.9
189.07126	6.0
189.09103	31.9
191.07011	5.4
191.08609	2.8
191.14323	5.0
195.10136	12.8
201.09149	18.8
205.06538	3.4
205.08553	4.6
206.07249	4.2
207.06451	11.8
208.07225	4.4
209.08067	63.2
209.15379	13.0
211.07466	2.2
217.06609	3.9
217.08560	10.8
218.07225	11.1
219.08028	12.2
219.10129	86.7
220.08681	2.6
220.10641	3.8
221.08003	5.1
223.07509	2.6
227.16373	6.4
231.08064	5.4
233.09502	3.3
234.06741	12.2
235.07634	6.8
235.09666	4.7
241.09618	2.7
246.06737	7.6
247.07530	8.3
248.08261	5.1
249.09148	21.1
251.07130	4.8
251.10628	5.7
253.08551	3.5
255.11328	4.0
261.09064	20.2
262.06293	4.6
262.09833	4.1
263.06989	6.0
264.07907	3.8
265.08621	5.8
266.09390	4.5
268.07385	2.9
269.08185	3.1
276.07761	3.7
277.08582	43.5
278.09293	11.6
279.10132	9.9
280.10660	2.4
281.11636	5.7
283.10318	2.7
289.08594	5.5
290.09183	3.0
291.10043	6.8
293.08456	3.7
293.11710	8.7
294.08844	4.5
295.10104	3.0
299.19980	3.3
306.08868	4.1
307.09634	6.5
308.10562	3.3
309.11218	21.1
310.11557	3.3
311.09457	2.9
311.12973	10.6
313.10733	6.7
313.14218	4.0
321.08075	2.5
321.11362	12.8
325.10843	5.0
327.12283	11.0
329.11063	5.4
335.22128	3.2
339.12292	67.4
340.12695	5.6
341.13852	7.7
353.13806	5.1
357.10681	7.0
359.14844	14.8
361.07156	3.1
371.14886	75.4
372.15179	5.4
389.06281	3.1
389.16199	78.5
389.21289	8.5
390.16425	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.01867	8.1
57.03430	6.6
61.02930	7.9
65.03907	1.0
68.99797	1.7
69.03423	36.3
69.12232	1.1
69.58344	1.1
69.58655	7.9
71.01332	1.8
71.04991	5.7
73.02562	1.0
73.02904	6.7
76.04771	0.9
78.09089	0.9
81.03409	24.4
85.02897	100.0
86.03213	1.3
87.00823	39.2
91.03971	1.1
97.02882	30.1
99.04455	12.0
105.01852	68.0
105.07024	12.7
108.04463	3.0
109.02874	25.9
115.03992	1.1
117.01829	2.6
123.02979	1.2
123.08021	1.2
124.08456	1.2
126.05514	1.5
127.03906	70.4
128.04222	1.3
129.01816	3.2
137.05983	1.5
138.09915	1.2
145.04948	36.3
147.02876	2.6
147.11743	1.4
149.09535	0.9
151.07526	1.3
159.02895	14.9
163.54028	1.3
177.03967	1.6
177.05434	2.3
189.03941	3.8
207.13766	2.1
208.14133	1.4
213.03973	3.1
213.09056	1.2
226.15021	2.3
231.04994	25.7
231.10254	1.4
248.07649	2.5
249.05991	10.3
356.74811	0.9
388.15707	1.7
388.20389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01863	8.9
57.03434	6.7
61.02936	5.9
61.94394	1.1
68.99779	2.1
69.03072	1.8
69.03427	35.9
71.01292	1.1
71.04986	5.8
73.02912	7.7
78.77543	1.2
79.05493	1.5
81.02974	1.7
81.03415	24.3
82.39948	1.2
85.02900	100.0
86.03286	1.2
87.00819	39.8
91.03925	1.8
97.02892	31.5
98.06030	1.0
99.04437	13.7
101.02390	1.2
105.01857	75.7
105.07029	16.8
108.04443	3.2
109.02872	27.7
117.01837	3.2
119.72070	1.1
126.05530	2.2
127.03911	77.5
128.04218	2.6
129.01825	3.1
136.11292	1.0
145.04953	39.2
147.02908	2.9
159.02904	15.7
173.65807	1.0
177.05510	2.2
179.14241	1.1
181.05203	1.0
189.03909	3.9
189.12749	1.1
207.13799	2.1
208.14050	1.3
213.03940	3.8
213.09045	2.6
231.05005	27.5
231.10062	2.3
232.05437	1.7
248.07565	2.5
249.06029	8.2
266.08734	1.4
388.15659	4.4
388.20422	1.5
398.79700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03935	4.0
53.28122	2.0
55.01870	4.2
55.05295	2.1
55.05508	23.7
55.55759	1.9
56.37265	1.8
57.03428	6.9
57.07064	4.5
61.02913	7.1
67.05502	9.6
69.03424	31.8
69.07064	4.3
69.57079	4.7
69.57500	10.3
71.04987	7.2
72.08138	2.3
72.82770	2.2
73.02899	3.6
79.05501	10.2
81.03415	13.7
81.07052	12.4
83.04973	9.8
83.08620	32.9
85.02896	34.2
87.04470	4.7
89.06027	13.8
90.06361	4.1
91.05493	11.5
93.07039	13.3
95.04962	100.0
95.08601	14.2
97.02887	26.0
97.06536	10.5
99.04438	14.7
99.96596	1.9
103.03951	3.7
103.05447	6.8
105.07018	28.7
107.04935	8.1
107.08585	42.5
109.02879	7.0
109.06520	15.0
109.10147	9.3
111.04437	9.8
111.08057	10.8
113.09626	3.2
117.05505	2.8
117.07022	6.5
119.04910	3.6
119.08569	12.1
121.06451	9.2
121.10125	13.2
123.04399	9.5
123.08066	39.2
123.11680	8.2
124.60995	1.8
125.06010	7.0
125.09620	20.5
127.03898	7.8
127.07635	2.2
129.06961	2.6
131.04913	6.2
131.08553	6.3
133.06522	9.2
133.08632	4.2
133.10127	9.8
135.08035	7.7
135.11696	5.3
135.45107	2.2
137.05971	30.0
137.09596	10.5
139.07538	2.5
139.11147	3.6
143.08542	2.8
145.04967	6.7
145.06493	5.3
145.10153	6.6
147.04417	7.6
147.08020	7.4
147.11646	4.7
149.05980	4.7
149.09619	18.8
151.03902	19.2
151.07570	15.5
151.09706	4.1
151.11172	3.9
153.05455	4.0
153.09096	8.0
155.10657	6.8
157.10156	2.6
159.06517	6.0
159.11668	4.3
161.05957	10.8
161.09583	11.5
161.13293	2.0
163.07527	12.5
163.11217	8.4
165.05449	2.8
165.09094	15.4
165.12778	5.2
167.07024	19.7
167.10664	7.4
169.12186	5.8
171.08095	2.2
171.11630	1.9
173.05965	3.2
173.09610	3.4
175.03943	2.0
175.07573	3.4
175.11153	3.6
177.09085	4.0
177.12805	2.7
179.07065	4.9
179.10649	4.6
181.05009	3.3
181.08598	7.0
181.12198	7.7
183.13838	2.9
187.07475	3.1
187.11238	3.7
189.09013	4.3
189.12735	8.2
191.07028	2.4
191.10646	12.4
193.08595	10.5
193.12267	3.7
195.32768	2.2
203.06955	2.3
205.12193	2.9
207.10187	2.5
207.13808	33.3
207.15930	14.0
208.16228	19.1
213.12726	2.7
215.10773	3.2
219.10046	2.8
219.13683	4.6
221.11707	3.0
223.13191	11.2
225.14851	22.3
231.10069	2.9
231.13829	3.4
233.11781	4.8
235.07451	2.1
237.14961	3.7
249.14833	93.9
261.14862	14.0
262.10721	8.6
267.15857	12.4
271.20218	2.5
273.14825	5.3
275.13000	2.6
279.15887	5.8
291.15891	25.4
293.13831	4.1
303.15955	6.2
309.17010	2.8
311.14804	2.2
315.15842	3.6
316.09238	2.2
329.16074	3.4
333.16913	11.2
351.18042	31.0
355.15546	4.6
369.19153	14.3
376.18420	2.4
387.14410	8.0
387.19977	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01871	1.8
55.05506	5.1
57.03426	4.1
59.05025	1.3
61.02896	1.7
65.03929	1.6
67.05486	9.2
69.03422	50.0
69.07056	5.7
71.04999	3.0
71.60013	1.9
71.60385	1.3
73.02937	1.8
79.05495	10.5
81.03412	4.1
81.07037	16.1
83.04977	5.2
83.08616	2.5
85.02894	18.1
85.06503	1.2
91.05476	7.2
93.07029	12.0
95.04959	7.4
95.08594	14.4
97.02902	8.0
97.06514	6.0
99.04475	2.7
103.05468	2.4
105.07021	21.2
107.04953	4.0
107.08562	10.9
107.61282	1.3
108.04189	1.3
109.02880	3.0
109.06498	10.6
109.10132	7.7
111.08069	4.7
117.07016	2.7
119.04935	1.3
119.08572	17.0
121.06511	5.6
121.10130	15.9
122.03661	2.2
123.04446	7.7
123.08070	11.6
123.11662	3.6
125.09644	1.8
127.03900	3.8
128.06126	1.6
131.08572	2.3
133.06465	8.1
133.10112	29.7
135.08035	2.8
135.11688	4.4
137.05959	29.1
137.09610	25.1
138.06372	1.5
139.11169	22.1
143.08534	1.7
145.04933	3.4
145.06445	2.0
145.10127	5.0
147.04393	1.5
147.08066	4.9
147.11676	18.9
149.09575	7.4
151.03946	1.8
151.07555	6.7
156.09311	3.8
159.08035	2.9
159.11673	3.2
161.09663	2.7
161.13263	13.8
163.07462	1.6
163.11154	19.2
165.09041	8.8
165.12823	3.3
167.07045	7.5
171.11700	6.3
173.05969	2.3
174.10411	5.1
175.04008	1.5
177.12701	2.6
179.14336	1.8
181.04922	4.1
181.12212	2.3
189.12729	35.5
191.14343	1.6
203.06990	2.7
207.13776	100.0
208.14085	3.4
213.05408	1.7
225.14824	48.4
267.06799	1.6
279.06537	1.5
332.50012	1.6
357.13342	3.0
359.09131	6.3
369.13312	1.8
371.57016	1.5
387.08615	24.9
387.14459	10.4
387.19675	13.1
388.09155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03942	5.8
54.13303	2.7
55.01869	3.0
57.03429	4.6
60.20721	2.7
61.24711	2.5
63.27219	2.6
67.05501	15.8
69.03424	32.0
69.32135	2.6
70.92288	5.6
70.92638	4.7
79.62474	2.7
81.03415	11.3
81.07056	20.4
84.75694	2.5
85.02899	100.0
85.06535	5.6
86.77632	2.6
91.05470	6.7
93.07039	5.8
95.04967	4.4
95.08596	58.5
96.07110	2.8
97.02863	14.1
99.04433	7.0
105.07011	11.2
107.08582	9.9
109.02873	4.9
109.06503	8.5
109.09452	3.2
109.10155	36.9
111.04432	3.6
113.06001	5.3
119.08560	18.8
121.10130	13.1
123.08080	15.6
123.11700	90.5
124.78759	3.0
125.05983	23.8
127.00603	2.8
127.03934	13.8
131.08575	5.0
133.10106	3.4
135.11700	6.6
139.07553	3.6
145.04947	5.3
145.10083	6.4
147.08043	7.9
147.11714	21.8
149.09613	24.4
151.07529	14.7
161.13245	7.7
165.12778	6.8
171.11606	5.0
189.12743	26.6
190.15465	2.8
195.72070	3.0
207.13797	78.8
225.14857	26.9
228.07526	3.0
277.10757	3.2
333.17010	21.3
351.17978	36.2
369.19147	13.2
387.20273	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Icariside B2
Peak:m/z	Relative Intensity
53.03927	3.0
55.05489	1.6
57.03420	2.1
57.07059	1.0
61.02910	2.7
67.05480	3.6
69.03422	22.7
69.07049	2.8
69.20390	0.7
69.59622	6.2
69.60033	1.3
71.04974	3.2
73.02901	3.0
79.05488	2.3
81.03417	10.2
81.07045	12.1
83.04971	2.0
85.02897	100.0
86.03238	1.1
87.04449	1.9
91.05463	3.8
93.07018	2.9
95.04982	1.0
95.08590	14.5
97.02875	8.7
99.04431	4.6
101.02370	1.3
105.07024	8.2
107.08575	3.5
109.02861	2.8
109.06495	2.3
109.09441	1.4
109.10136	14.6
111.04441	1.6
115.06625	1.0
117.06982	1.1
119.08572	12.4
121.10136	7.8
123.08051	6.1
123.11696	56.5
124.11990	1.7
125.05047	2.1
125.05980	43.1
127.03899	9.3
131.08551	2.8
133.06473	3.4
133.10123	5.2
135.11668	10.7
137.05989	1.9
137.09592	1.9
137.13255	1.2
137.52448	0.9
139.07530	8.3
143.08597	0.9
145.04958	2.3
145.10114	3.9
146.10959	1.0
147.08043	4.0
147.11678	13.4
149.09619	10.0
151.07515	9.3
159.08034	1.9
161.13258	12.9
161.89581	1.0
162.13647	0.8
163.11189	1.1
165.12770	2.6
167.10660	1.5
171.11687	2.5
174.10400	2.1
179.14337	1.7
189.12735	22.4
189.14420	1.4
203.07050	1.8
207.13777	59.3
208.14131	1.8
225.14830	63.6
226.15251	1.8
271.26245	0.9
273.14807	0.9
333.16943	8.5
334.17236	0.9
351.17969	16.5
369.19012	7.1
387.20102	61.6
388.20468	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	3.3
55.01862	2.5
55.05510	2.7
59.05007	8.6
65.03939	1.7
67.05499	7.8
69.03409	6.2
69.07057	2.5
69.68143	10.0
71.04961	2.1
79.05490	5.0
81.03399	3.1
81.07050	6.3
83.04988	4.4
85.02892	17.3
91.05484	7.8
93.07043	9.7
95.04965	5.0
95.08607	6.7
97.02864	3.4
99.04437	2.4
101.05994	4.3
105.07024	15.4
107.08581	33.4
109.06534	12.5
109.10133	12.3
111.24014	1.7
111.75582	1.8
119.08547	17.7
121.10133	5.5
123.08062	19.6
123.11696	2.9
124.07596	3.6
125.05978	2.9
127.03899	3.2
131.08528	2.5
133.06500	3.3
133.10083	5.8
135.08035	8.6
135.11655	14.0
135.15846	1.8
137.09604	100.0
138.09973	2.9
145.04977	3.2
145.10117	4.5
147.08089	3.1
147.11696	9.9
149.09625	7.6
151.07521	4.0
153.09081	5.3
161.05986	2.2
161.09537	2.0
161.13239	12.8
163.11150	2.5
165.12711	2.3
167.07062	5.4
169.76482	1.7
171.11700	3.5
177.12737	2.6
189.12683	16.2
190.13120	2.8
197.00694	1.6
203.07031	4.6
207.13774	26.8
225.11086	2.8
225.14841	12.1
229.56122	1.9
238.69458	2.1
387.08368	2.7
387.15897	5.0
387.19983	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	387.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01859	0.6
55.05488	0.6
56.96551	0.4
57.03439	1.3
59.04983	0.3
61.02908	0.8
62.97729	0.3
67.05479	0.7
69.03417	1.9
69.07053	0.4
70.06601	0.3
71.04968	0.4
71.61696	0.2
73.02904	1.8
74.03244	0.4
78.04700	0.6
79.05463	0.8
81.03413	1.3
81.07034	0.8
83.04944	0.7
83.08532	0.3
85.02905	5.6
86.03230	0.5
91.05453	0.7
93.07032	0.6
95.01324	0.9
95.04957	5.4
95.08578	1.0
96.08911	0.6
97.02893	2.2
98.03205	0.6
98.97577	0.3
99.04433	0.8
103.05434	0.6
105.06988	0.8
106.04144	0.5
107.04929	0.9
107.08587	0.6
109.02863	0.9
109.06522	0.4
109.10115	0.5
115.03891	0.8
116.18906	0.2
116.98527	0.3
119.08598	0.7
121.06510	0.7
121.10060	0.6
123.04411	2.0
123.08027	0.7
123.11674	0.5
124.05199	1.0
127.03870	1.2
128.04269	0.4
129.36629	0.3
133.04932	0.4
133.06476	0.6
133.10072	0.3
135.08011	0.3
137.05957	0.6
139.07535	0.3
140.07065	0.8
145.04973	1.3
145.10184	0.3
146.05276	0.9
149.05948	1.0
149.09650	0.3
151.07521	0.6
152.04736	0.6
153.09093	1.7
161.05899	0.9
163.06020	0.4
163.11180	1.1
167.07021	48.5
168.07405	1.6
177.05476	0.9
181.08626	0.8
182.08060	0.4
189.12694	0.7
193.08565	1.8
203.07407	0.3
207.10004	0.5
207.13834	1.4
211.09619	1.8
224.16577	0.3
225.10999	4.9
225.14748	1.7
225.16840	0.7
235.18437	0.3
237.02882	0.3
255.11264	0.6
343.13681	0.5
383.06604	0.3
387.16226	100.0
388.16620	4.2
399.49963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03931	0.6
55.01863	0.7
57.03433	0.3
64.71632	0.3
65.03922	1.2
65.65046	0.3
65.71758	0.3
66.04719	0.3
67.05485	1.0
69.03403	0.8
69.07048	0.9
69.84270	0.3
70.01199	1.7
71.04993	0.7
71.48624	0.3
74.63350	0.3
78.04697	0.3
79.05490	1.7
81.03409	2.2
81.07051	1.9
85.02901	1.5
91.05482	2.2
93.07046	0.6
94.04192	3.0
95.04950	0.7
95.08605	0.4
97.02889	0.6
97.06532	0.5
103.05467	2.5
105.03425	0.4
105.07010	1.3
107.04942	1.6
107.08575	0.4
108.02068	0.5
109.02869	1.3
109.06501	0.7
110.03614	0.7
111.04443	0.4
113.06005	0.4
115.05448	1.6
117.07036	1.8
118.04167	0.4
119.08578	0.6
121.06519	0.4
121.10109	0.5
122.03635	7.7
123.04455	1.6
123.11682	0.4
124.05231	0.7
125.05975	0.5
131.04933	2.1
133.02777	0.4
133.06418	0.6
137.05966	100.0
138.06288	1.0
141.05447	0.5
142.02667	0.4
143.04938	2.8
145.05409	0.3
145.06448	2.3
147.04384	0.7
147.08131	0.4
147.11682	1.1
148.05177	1.3
149.06012	0.4
151.03897	8.2
151.05017	0.5
151.07465	0.3
152.04683	0.5
153.05455	0.8
153.56248	0.3
155.06013	0.3
161.06013	0.5
161.09633	0.3
163.07541	2.6
165.09103	0.4
165.12724	0.8
167.07028	20.3
171.04422	0.5
171.06541	1.2
173.05988	3.3
175.03893	0.4
175.07526	1.0
181.04948	16.6
189.09186	0.3
190.07834	0.3
191.07019	8.7
193.08594	0.8
193.31424	0.3
203.06979	2.0
205.08559	2.6
207.06509	0.8
207.13853	0.4
207.15742	0.4
217.08582	0.4
219.08228	0.4
225.16774	0.6
232.08958	0.4
233.08060	1.4
234.06660	0.5
235.09546	1.7
247.07593	0.4
264.07745	0.4
265.08563	0.5
277.08170	0.3
283.09756	0.4
305.95108	0.3
309.11307	0.5
327.12192	0.3
336.87317	0.3
339.12430	0.5
351.12247	0.8
355.11606	0.4
357.08844	0.6
357.13297	12.8
369.13260	0.7
369.18674	0.4
387.14362	36.0
388.15033	0.9
412.22635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1284
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03926	0.3
55.01835	0.2
57.03399	0.7
61.02894	0.4
62.48737	0.2
67.05479	0.2
69.03393	0.8
69.07050	0.3
69.79017	0.5
69.79430	0.9
71.37296	0.2
72.08099	0.2
73.02901	1.0
74.03214	0.2
78.04707	1.2
79.05483	1.0
81.03387	0.4
81.07022	0.5
83.04942	0.2
83.92990	0.2
85.02433	0.2
85.02899	2.7
86.03226	0.3
86.09681	0.3
91.05478	1.0
91.05939	0.2
91.59656	0.2
93.07066	0.9
94.04175	0.2
95.01318	1.3
95.04944	0.8
95.08565	0.3
97.02882	1.0
98.03206	0.2
98.20824	0.3
98.97536	0.2
99.04489	0.2
103.05435	0.4
105.07017	1.0
106.04131	0.8
106.26392	0.2
107.04961	1.3
107.08565	0.2
109.02843	0.3
109.06473	0.3
111.04425	0.2
115.03936	0.4
116.04286	0.2
121.06495	1.3
122.03631	0.2
123.04420	4.2
123.08057	0.2
123.11658	0.5
124.05217	1.5
125.05946	0.4
127.03878	0.6
128.04211	0.3
129.48921	0.2
133.06473	0.8
134.03604	0.3
135.04405	0.3
137.05913	0.7
139.08594	0.2
140.07014	0.3
141.01822	0.5
145.04930	0.7
146.05237	0.3
149.05960	1.4
151.03886	1.0
151.07556	0.3
152.04649	1.5
161.05983	0.8
163.05956	0.4
166.06258	0.3
167.07027	100.0
168.04115	0.2
168.07375	2.0
177.03885	0.3
177.05481	0.3
179.07037	0.6
181.08546	1.6
183.56006	0.2
193.08600	3.9
194.09116	0.2
203.05356	0.3
203.07578	0.3
207.13774	0.5
211.09647	4.2
225.11137	0.5
225.14934	0.5
255.11192	0.3
262.29819	0.2
323.11267	0.4
387.16382	8.4
388.16232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
57.03420	4.4
58.40580	1.6
59.05025	1.8
61.02917	2.2
65.03936	3.1
67.05495	3.7
69.03423	9.6
69.07055	5.4
70.06585	3.6
71.61864	2.0
71.62289	2.7
71.83402	1.7
72.08137	4.6
73.02894	6.8
79.05490	4.0
81.03417	4.4
81.07070	9.6
83.04973	25.0
85.02416	2.4
85.02898	25.1
86.09682	3.1
91.05468	5.9
93.07033	7.4
95.04956	7.0
95.08584	5.8
97.02870	6.9
99.04473	3.6
103.05470	3.4
105.07017	6.6
107.04944	5.3
107.08582	5.3
109.02850	3.0
109.06540	9.3
109.10100	4.1
111.04460	4.3
112.07607	2.1
117.03365	1.9
119.08596	5.3
121.06473	3.5
121.10143	14.8
123.08078	6.6
123.11716	5.8
125.05987	14.6
125.82957	1.8
127.03907	4.4
131.04918	8.1
131.08562	3.1
133.06516	3.1
133.10098	5.1
135.08040	3.4
137.02347	2.2
137.05946	6.2
141.07053	2.1
145.02838	3.4
145.04889	2.5
145.06522	4.4
145.10133	2.3
147.04393	4.8
147.11649	3.1
149.06000	9.9
149.09644	5.3
151.03859	13.5
151.07550	13.0
153.05450	7.9
157.06499	2.6
159.04466	2.8
159.08105	2.9
160.05185	1.8
161.02287	3.3
161.05997	7.6
161.13272	3.8
163.07544	3.0
163.11205	7.4
165.12762	12.3
167.07043	34.6
169.06477	5.2
171.04367	3.7
175.03938	4.5
175.07538	3.0
176.04686	5.0
177.05457	35.1
178.05923	1.8
178.09926	4.8
179.03287	2.0
181.08699	3.7
181.12320	2.3
183.13660	2.3
185.06021	2.9
187.03870	2.3
187.07610	3.2
188.04704	3.9
189.05449	6.0
189.12686	6.2
191.07022	27.7
195.04333	2.2
197.05943	6.0
199.03886	3.6
200.04555	2.3
201.05362	2.8
203.07082	12.6
205.04921	3.0
207.06514	7.4
207.13754	25.9
209.11757	5.2
212.04604	2.1
213.05553	2.5
214.06221	4.3
215.07025	8.1
217.04967	7.8
219.06514	28.7
221.04442	13.0
225.12830	1.4
225.14819	38.1
227.07063	5.1
229.04994	2.3
229.08591	7.9
231.06555	13.6
233.07973	2.6
242.05745	3.2
243.06526	9.0
245.08095	6.4
249.07643	2.5
255.06532	6.1
255.11305	42.2
257.08151	4.6
259.06079	4.4
273.07492	8.6
281.08170	2.3
291.08746	9.4
309.09674	3.6
311.09363	2.2
337.09161	100.0
338.09579	4.1
343.13437	5.3
355.10229	5.2
369.13354	2.9
387.12320	10.3
387.16483	33.0
387.20734	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05495	1.2
55.14936	0.6
56.96558	0.7
57.03426	2.5
58.03772	0.6
61.02914	2.8
67.05499	0.9
69.03418	5.6
70.03754	1.8
71.36395	1.1
73.02910	13.5
74.03225	3.5
79.05478	1.0
81.03416	1.7
81.07036	1.7
83.04985	1.4
83.08623	1.8
84.08945	1.0
85.02898	19.1
86.03230	4.6
86.09680	0.9
87.04475	1.2
91.03949	1.2
93.07010	1.2
95.01320	0.9
95.04964	1.5
95.08611	0.9
97.02880	8.5
98.03221	3.4
99.04467	1.9
100.87435	0.6
101.61054	0.6
103.03942	0.8
105.07045	1.3
107.04965	0.9
109.02863	1.5
115.03942	4.1
116.04256	2.3
116.98624	1.1
119.08542	1.0
121.06513	0.8
121.10147	0.8
123.04404	1.6
123.08006	0.9
125.05982	1.5
127.03891	5.5
128.04247	2.6
133.04948	5.7
133.06471	0.7
133.10112	0.8
134.05318	1.9
137.06001	1.6
139.07266	3.0
145.04938	8.7
146.05278	4.2
147.11679	0.8
149.05952	1.2
150.07625	0.7
151.07477	1.4
160.92419	0.7
161.13289	0.7
163.05991	4.3
163.11130	0.8
164.06264	1.4
167.03232	0.8
167.07022	36.8
177.00676	0.9
185.04129	1.0
191.08556	2.0
193.08669	1.4
207.13782	1.5
211.09604	1.3
219.08072	2.5
221.05000	1.6
224.06412	1.0
225.07547	0.7
225.14883	1.8
227.05240	1.3
236.10771	1.2
240.10176	1.8
241.09393	0.8
242.07466	1.0
253.13313	5.6
254.11646	1.3
260.08496	1.7
265.08646	1.7
272.43542	0.6
282.11258	2.5
295.14279	1.1
299.13910	4.7
301.12518	7.3
325.12686	1.0
341.14902	6.2
343.13605	32.1
344.14200	0.7
345.14365	1.9
369.11456	1.2
387.12555	100.0
387.16391	27.0
388.12570	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01867	1.5
57.03436	20.0
61.02927	10.0
67.05530	0.6
69.03076	1.2
69.03426	20.0
69.07052	1.1
69.74420	1.7
69.74830	3.6
71.01330	1.7
71.04984	1.7
73.02915	48.0
78.04686	1.5
79.05487	1.2
81.03406	3.6
85.02900	64.6
85.06519	0.8
86.03226	1.5
87.04457	2.5
91.03943	3.8
91.05468	1.5
93.07005	0.9
95.01323	1.5
95.04955	3.1
97.02888	31.6
98.97585	1.0
99.04464	1.7
103.05506	0.9
105.07030	1.7
106.04168	0.8
109.02875	5.0
115.03920	25.0
121.06459	1.2
123.04405	3.7
124.05215	1.5
127.03911	20.4
132.06519	0.8
133.04967	8.5
133.06488	1.5
137.06000	0.8
145.04951	38.3
149.05986	2.1
150.07591	3.0
151.03908	0.7
152.04701	1.0
153.09082	1.2
161.05975	1.3
163.06013	26.2
167.07033	100.0
168.40971	0.7
177.09132	0.8
181.08578	1.5
193.04955	1.0
193.08580	3.2
202.06688	2.0
202.57062	0.8
203.07541	1.0
211.09683	3.5
223.05966	1.9
224.16425	1.4
225.10722	0.9
237.13319	4.3
241.07069	2.3
259.08115	2.5
270.57202	0.8
289.69394	0.8
295.10132	3.5
331.49597	0.7
368.13132	0.8
386.15207	1.6
387.16403	18.4
403.12894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01853	2.2
57.03432	26.8
59.04981	0.9
61.02920	11.4
69.03422	27.7
69.21097	0.9
70.84087	1.3
70.84427	1.4
71.01328	3.1
71.04980	1.9
73.02909	58.5
74.03223	1.2
81.03412	5.4
85.02895	100.0
86.03216	1.4
87.04454	3.5
91.03941	4.2
96.44157	0.9
97.02880	49.3
99.04450	4.2
101.02366	0.9
103.03958	1.6
106.30924	0.8
109.02877	8.1
115.03920	35.3
119.44543	0.9
127.03901	30.0
127.04800	1.8
132.06441	1.4
133.04950	14.4
142.39211	1.0
145.04942	58.7
150.07602	3.3
163.05998	37.3
167.07007	1.9
223.05936	3.6
237.13347	10.0
241.07045	5.2
247.23320	1.1
259.08167	4.5
295.10190	4.2
307.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01863	1.2
57.03421	1.5
58.06579	1.3
60.04496	1.4
61.02908	1.9
67.33030	0.6
68.05019	0.6
69.03422	5.9
69.78451	1.1
69.78856	2.4
70.06578	0.6
71.04961	1.0
73.02899	2.3
79.05470	1.3
81.03421	2.9
81.07048	0.7
85.02901	14.7
87.04456	1.6
91.03929	0.7
91.05472	2.6
93.07010	0.9
95.04929	0.6
97.02898	5.8
98.97558	1.1
99.04427	1.1
99.06832	0.7
103.05490	3.0
105.07026	11.9
107.04924	2.2
109.02856	2.1
116.98648	0.5
118.06544	2.7
120.08091	8.8
127.03869	2.9
128.06190	1.7
130.06531	1.0
131.04910	1.8
131.07230	0.6
132.08090	0.7
133.79944	0.5
134.99641	0.9
135.04433	0.8
138.05457	0.6
143.08592	1.4
145.02826	0.6
145.04930	2.2
147.04465	0.5
148.45747	0.5
149.05968	0.8
156.17429	0.5
160.11212	51.6
161.11566	1.6
164.07048	0.7
167.07030	8.8
177.05461	1.8
178.12257	42.8
179.12595	1.3
193.08580	0.7
206.11743	7.7
211.09853	0.6
224.12802	100.0
225.13156	2.5
236.22639	0.5
248.12625	1.1
271.89819	0.5
284.19601	0.6
319.34134	0.6
338.62598	0.5
341.49304	0.6
343.13812	0.8
350.15952	1.2
360.96991	0.5
386.14114	2.3
386.18109	5.5
387.12485	3.9
387.16608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	38.8
56.96566	6.4
57.03425	15.8
59.04998	11.2
60.04498	3.7
61.02932	3.1
69.03429	15.6
70.06599	4.2
71.01323	2.9
71.05010	3.6
71.60621	3.4
72.08144	2.8
73.02909	10.2
75.04480	5.6
79.05492	2.6
81.03409	8.4
83.04977	84.1
84.96912	2.5
85.02905	41.3
85.07657	3.0
86.09723	2.6
87.04459	2.8
87.76659	2.5
93.05486	4.2
95.01311	7.1
95.04958	3.6
97.02872	17.0
98.06024	2.5
98.97578	5.0
99.04436	2.9
101.06049	2.8
105.07025	8.0
107.04942	2.9
109.02852	4.2
110.06010	6.0
111.04425	2.7
113.02318	3.1
115.05456	2.7
116.62221	3.1
116.80867	2.5
116.98603	5.2
117.03387	4.1
117.05492	29.8
119.03353	4.2
120.08095	11.4
121.06452	3.1
123.04453	3.0
127.03902	9.4
128.98634	2.6
131.03365	3.8
133.06487	3.4
134.06795	3.9
134.99579	3.9
136.07565	5.8
137.05997	4.7
138.09193	2.8
139.03885	3.3
140.07053	9.5
141.01820	15.9
142.08575	2.8
145.02866	6.8
145.04970	7.1
146.03568	5.7
147.04384	5.6
149.05968	5.3
152.07109	3.1
157.08594	55.7
157.09807	4.9
160.11212	4.4
161.02927	3.1
161.06004	7.9
162.05336	4.6
162.06404	6.4
163.03851	3.0
164.07077	5.5
167.03416	4.0
167.07033	30.8
175.09648	100.0
176.09863	2.6
177.05389	16.6
178.12241	5.3
189.00732	3.7
193.08598	6.9
194.08893	6.7
207.06454	3.7
209.08119	3.3
219.01765	4.6
224.09303	6.0
224.12843	9.2
237.02769	6.4
241.07097	4.2
246.05328	3.1
252.09680	4.5
259.08176	3.4
293.08728	17.4
333.11740	4.0
343.13388	7.3
386.14258	5.6
387.12738	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	385.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05495	5.4
57.03431	19.9
58.12973	2.0
61.02919	11.3
67.84523	2.1
69.03424	32.0
69.07052	2.5
71.36690	4.9
73.02914	42.4
73.06168	3.3
73.06553	59.6
79.05489	4.0
81.03404	8.6
81.07065	2.2
85.02900	100.0
87.04443	3.5
91.03948	3.6
91.05469	4.4
95.04947	3.8
97.02882	39.9
98.97546	3.0
99.04462	3.5
103.03934	4.3
103.05441	5.4
105.07024	25.6
109.02856	8.0
115.03926	21.5
115.05450	5.4
117.07079	2.6
118.04162	2.9
123.04399	5.3
127.03915	27.8
131.04913	4.5
133.02882	2.7
133.04941	6.4
133.06474	23.0
136.06158	2.0
137.05966	3.1
138.05339	2.3
145.04929	37.7
145.06244	2.7
145.06500	2.8
151.03893	2.7
155.07031	3.8
161.05974	44.7
163.02693	2.2
163.05980	13.6
165.05472	2.3
167.07048	14.6
169.08618	6.8
173.05965	3.0
176.04568	2.7
177.05397	3.7
181.04982	3.0
183.06528	3.4
186.03073	2.4
187.03944	2.8
187.07545	2.4
189.05394	3.7
191.07030	3.4
193.05020	3.9
193.08592	26.1
205.08661	3.5
207.06519	12.3
217.04979	2.2
217.10651	2.2
219.06512	7.5
221.08147	3.6
223.04228	2.9
233.04492	2.4
233.08189	3.7
235.05972	2.9
240.04254	2.2
242.05576	2.7
245.07993	3.6
247.06044	2.5
249.07703	5.0
251.09163	11.4
253.12816	11.9
260.06708	3.7
261.07581	7.3
273.07733	3.5
274.47964	2.1
275.09076	12.7
277.07114	4.7
285.07660	3.5
331.08200	2.7
354.88916	2.2
367.10376	6.4
374.98187	2.6
385.11298	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	385.1279
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
55.35563	1.0
59.04985	0.9
67.05478	1.3
69.07056	2.0
69.30306	8.9
69.30717	1.9
76.60844	0.8
79.05472	1.8
81.07040	2.4
81.22314	0.9
83.08622	1.2
84.94916	1.0
86.21482	0.8
91.05463	1.0
93.07043	1.6
95.08604	2.9
97.06595	0.9
98.20741	1.4
105.06934	1.2
107.08576	2.3
110.20704	0.8
112.47039	0.9
116.98631	0.9
119.08592	2.2
121.10136	1.5
133.10059	0.9
134.03665	1.3
135.11697	1.7
149.02339	2.1
163.11261	1.0
165.01865	1.2
173.13185	0.8
175.02972	1.0
175.11217	1.0
177.19171	1.0
193.04974	1.9
241.05116	1.3
242.05861	1.1
270.05267	2.0
281.04453	1.2
285.07547	1.3
295.06018	1.5
298.04706	27.3
301.07111	1.3
309.07532	1.7
312.06003	1.2
313.07050	50.3
314.07474	2.0
325.07288	4.7
327.08401	2.2
337.07092	3.2
349.10800	1.1
352.09473	4.2
367.11752	12.8
385.12839	100.0
386.13147	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	385.128
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
50.49464	0.7
55.01863	1.8
55.05497	2.6
57.07072	1.2
67.05493	3.5
69.07069	5.0
71.61107	1.3
79.05473	3.0
81.07055	8.4
83.08595	1.9
84.60031	0.8
85.06542	1.2
91.05482	3.2
93.07043	8.4
95.04969	1.3
95.08603	17.9
97.06527	0.9
99.04487	1.6
105.06996	4.3
107.08585	9.5
109.06473	1.5
109.10150	7.7
112.84121	0.8
117.07021	1.7
119.08594	6.3
121.06471	1.0
121.10138	13.3
123.08030	1.2
123.11707	4.3
127.07555	0.8
131.08588	2.6
133.10149	5.6
135.11693	9.0
137.02353	1.0
137.09593	3.1
137.13271	1.7
141.01811	5.1
143.08522	0.9
145.10091	4.6
147.11676	4.9
149.02327	1.0
149.13246	3.3
150.03094	4.6
155.10701	1.7
159.11702	4.2
161.13254	2.6
163.14915	0.9
165.01823	22.8
165.99835	0.7
173.13246	3.4
175.14790	2.3
183.02872	32.2
185.13147	1.1
185.20082	0.8
187.14827	3.1
189.16405	2.9
191.17949	13.4
193.04898	1.1
195.13893	1.0
199.46259	0.8
201.16365	1.8
203.17903	1.6
213.16505	1.1
215.17896	1.5
229.19444	4.2
230.05789	1.8
231.21133	6.4
257.22598	7.1
271.24188	3.1
283.16937	2.5
284.17291	2.3
286.04639	1.1
296.03027	5.8
311.05569	7.0
313.03400	2.9
314.04202	33.3
315.04382	1.0
329.06537	100.0
330.06876	3.8
339.23004	1.4
340.23508	3.0
343.26144	1.2
367.30322	1.1
385.08661	1.0
385.12848	10.6
385.23431	2.3
385.31027	24.4
405.11130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.05492	1.4
65.38261	0.8
67.05519	1.4
70.59071	1.8
70.59397	1.0
79.05486	1.0
81.07050	2.2
83.04969	0.8
91.05491	1.7
93.07017	1.2
97.10133	1.2
105.07019	1.3
107.04952	1.2
107.08607	1.3
111.08091	1.1
116.95531	0.9
116.98607	1.0
119.08480	1.5
124.59390	0.8
135.08003	1.1
137.05995	2.1
145.10039	1.5
149.02328	1.1
161.06058	0.9
203.03511	1.5
206.31659	1.1
221.04465	1.9
236.06900	0.9
267.06619	1.6
268.07181	1.0
281.08109	2.5
282.05304	1.1
295.06146	2.1
295.09579	1.0
297.07516	1.5
298.04724	8.9
307.09439	1.2
307.36691	0.9
309.07516	3.6
310.04547	1.1
313.07059	17.7
320.06583	1.6
324.06491	1.1
325.07050	3.4
325.10623	1.5
334.08273	2.9
335.08923	1.1
337.07028	11.3
338.07608	2.5
339.08386	1.7
349.10678	2.7
352.09390	12.8
367.11749	100.0
368.12180	4.4
385.12674	1.7
385.23523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03746	0.8
53.03932	1.2
55.01860	3.9
56.96567	1.0
57.03428	2.9
57.83368	0.9
61.02914	2.0
69.03422	3.9
69.92288	6.3
73.02909	2.6
79.05476	5.3
81.03416	1.3
83.01340	1.9
83.04997	1.2
85.02901	8.2
90.04644	1.3
91.05469	4.1
95.04974	5.3
97.02879	5.7
103.05468	6.8
105.07024	54.0
107.04929	2.4
109.02867	1.2
115.03944	3.0
115.05430	12.0
117.07002	4.2
118.04155	3.3
119.04907	1.7
123.04424	6.3
125.02470	1.1
127.03895	3.0
129.06975	1.6
131.04921	4.6
132.05644	1.5
133.06482	62.0
135.04367	1.2
135.63246	1.1
136.06190	1.6
137.05966	2.5
140.04706	1.7
143.06056	3.4
144.05597	1.1
145.04935	1.5
145.06477	5.4
145.98734	1.0
147.04416	2.8
147.07945	1.1
148.90195	1.0
151.03905	4.3
151.07384	1.2
155.06987	5.0
157.04973	2.0
157.06458	3.0
159.04381	1.3
160.05244	1.6
161.05972	100.0
162.06381	3.1
162.07669	1.7
163.07925	2.3
167.07019	29.4
171.04477	1.0
173.05923	4.9
175.03947	1.9
175.06078	2.1
175.07544	2.5
177.05444	2.7
178.06166	1.3
181.04889	1.4
183.06516	4.5
185.05974	1.4
186.03159	1.5
187.03975	1.4
187.07692	1.2
189.05540	3.7
190.02560	1.1
190.06250	2.9
191.06993	3.6
192.05251	1.3
192.07796	1.7
193.08597	64.7
194.09044	1.4
199.07446	1.3
201.05489	4.6
203.07060	2.9
205.08592	5.8
206.09274	1.5
207.06491	8.2
219.06490	4.7
220.07231	1.7
221.08122	2.5
223.08086	2.1
229.04927	4.7
231.06517	5.3
233.04518	5.2
233.08110	6.1
234.08781	1.6
235.06187	2.2
235.09703	2.2
243.06447	2.0
245.07866	1.2
247.06003	3.0
249.07584	3.9
251.09123	24.6
252.07343	5.1
252.09523	1.1
253.07558	10.7
257.08038	1.3
259.05997	2.2
261.07535	11.7
263.09137	3.5
273.07581	1.7
275.09109	6.3
277.07031	2.0
279.08606	1.9
287.09241	1.5
289.07053	2.5
293.10150	3.0
301.07129	1.3
303.08737	1.6
305.10361	2.4
307.08127	7.5
319.08090	2.4
349.09320	1.7
367.10150	3.3
385.11343	7.3
402.11298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84323	2.0
54.47139	1.9
55.01859	4.0
55.62952	1.9
57.03422	4.3
61.02916	3.5
66.39720	2.0
69.03413	6.8
70.05477	4.3
70.05897	7.5
71.04978	2.1
72.33026	2.0
73.02910	3.5
81.03421	2.5
83.04967	2.9
83.08602	5.7
84.08936	3.7
85.02886	13.8
87.00830	3.2
91.03965	2.3
91.05480	5.9
95.04961	3.4
97.02883	6.1
101.02377	3.6
103.05454	6.7
105.07021	4.2
105.85966	2.4
107.04929	3.3
109.02832	2.1
111.04423	2.3
115.05435	2.6
117.03383	4.0
119.03429	6.3
119.04949	3.2
122.05981	2.3
127.03887	4.5
129.06985	3.0
131.04926	21.4
133.02817	3.3
133.06488	4.5
136.06125	2.4
137.05968	17.4
139.03891	4.2
141.06947	7.2
143.03418	2.7
143.04959	3.1
144.05620	2.6
145.02826	9.5
145.06476	3.9
146.03632	4.2
147.04390	6.7
147.08026	5.1
149.05867	2.5
151.03880	7.1
153.54091	2.0
157.06503	5.3
159.04375	3.9
159.08009	4.1
160.05122	3.1
161.02327	4.8
161.05972	11.2
165.05481	4.3
167.06993	8.3
169.06497	10.0
171.04404	5.1
173.05904	4.3
175.03882	4.9
175.07620	4.4
176.04602	8.0
177.05463	18.5
180.07777	5.9
181.05005	3.8
185.05914	2.9
186.06702	6.8
187.03905	11.3
187.07460	5.6
189.05479	10.3
190.06271	3.4
191.06999	28.7
193.04976	8.5
193.08574	4.4
194.05688	5.3
197.06018	11.0
198.06560	2.5
199.03903	4.3
200.04631	3.8
201.05553	3.5
201.09171	3.6
203.03380	2.4
203.07043	4.7
204.04205	12.8
205.08759	7.3
205.12268	2.7
206.09258	4.8
207.06541	4.1
213.05394	4.0
214.06250	4.5
215.06979	13.3
217.04962	8.4
217.08641	3.0
218.05647	5.6
219.06523	19.5
221.08101	2.7
223.05832	6.3
223.09439	3.1
223.13507	3.4
229.08582	8.1
231.02919	2.2
231.06444	9.1
233.08081	5.6
235.05930	5.5
240.34261	2.5
243.06468	11.2
245.04541	11.1
245.08054	6.5
247.05975	2.7
247.09573	10.5
249.07552	2.8
257.08051	14.9
260.06808	29.7
262.04654	3.5
263.05533	5.8
273.07666	4.4
275.09119	100.0
276.09470	6.4
277.07086	15.4
287.05447	9.8
297.55298	2.6
298.60648	2.2
301.07077	7.5
319.08096	19.6
335.16791	2.6
337.09091	11.0
355.09915	2.6
385.10544	6.6
385.15045	26.2
386.14938	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.7
70.57733	0.4
71.57470	0.6
71.57845	0.6
71.95251	0.9
80.90994	0.4
90.05100	0.4
98.97576	22.4
99.97913	0.5
100.38533	0.3
116.98612	33.0
117.98940	0.7
118.98146	0.6
119.01910	6.0
134.99648	36.7
135.99948	1.2
136.63545	0.4
137.02948	4.2
140.00192	1.2
153.00691	10.1
158.01271	2.1
174.53635	0.4
177.00941	16.7
178.01041	1.5
179.00629	0.6
190.95378	0.4
192.98834	0.6
195.01910	0.5
200.02562	0.8
201.00890	1.0
203.02448	0.4
216.98747	0.6
217.04088	2.6
219.01994	25.9
220.02089	2.5
221.01878	1.6
222.01941	0.6
222.98059	0.4
225.00803	2.0
226.01054	0.4
233.03737	0.4
234.99918	3.4
235.99907	1.3
236.99648	1.7
237.99879	0.5
238.99504	0.4
240.98795	1.4
241.98981	0.4
242.03571	1.0
242.98482	1.1
243.01947	5.4
253.01079	0.8
255.00745	0.4
256.96588	1.5
258.99805	15.4
259.99979	4.7
260.99667	13.8
261.03033	100.0
262.00006	0.9
262.03128	8.7
262.99887	0.6
263.02914	3.3
264.98972	0.7
272.94196	0.5
274.97699	0.9
277.00861	36.4
277.97897	0.4
278.00977	8.5
279.00601	28.9
280.00839	1.8
281.00693	0.8
282.01300	1.1
282.99982	8.0
284.00061	1.8
284.04593	5.6
284.99771	4.0
285.04846	0.5
285.99838	1.2
286.99725	1.3
292.98489	0.6
295.01859	0.6
297.02103	0.4
300.02469	2.7
301.01016	19.5
302.01239	4.7
303.00861	8.9
304.00983	3.0
305.00787	3.2
307.21075	0.5
316.98587	0.5
317.98630	0.5
318.98648	0.8
319.02072	1.5
319.98566	0.9
320.02124	0.5
321.01816	0.6
324.02625	0.5
326.01810	0.4
330.93439	0.5
343.02026	2.6
350.95798	1.5
351.45850	0.5
354.93796	2.0
356.96695	2.2
359.96460	2.7
360.46207	1.2
361.02570	1.6
361.99942	0.5
367.02124	2.2
371.96255	2.0
372.94897	1.3
373.95218	0.4
379.93469	0.7
380.96756	2.3
382.48749	1.2
385.03290	12.0
386.03250	1.5
391.98965	0.5
396.94867	1.9
397.94586	0.9
398.97882	8.6
402.99899	2.4
403.04932	16.2
404.04880	1.9
408.04553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13268	0.9
53.03928	1.6
55.01863	2.4
55.05514	1.8
56.96547	1.0
57.03439	7.2
61.02924	5.9
62.60419	0.8
69.03075	1.1
69.03424	14.1
69.07068	5.4
70.06564	1.2
71.01347	1.5
71.04972	2.2
71.16291	2.0
73.02916	11.6
74.25301	1.0
79.05489	1.3
81.03415	3.8
81.07050	1.5
83.04978	1.0
83.08616	1.2
84.08111	1.0
85.02901	28.8
85.06522	1.6
85.37397	0.9
87.04469	2.6
89.06035	0.9
91.03941	1.9
91.05463	2.6
93.07022	1.3
97.02887	12.1
97.06503	1.0
98.97580	2.2
99.04443	2.3
103.05477	0.9
105.07025	2.2
107.08568	1.4
108.00214	1.0
109.02876	2.9
111.04412	1.1
115.03927	5.5
115.05504	1.0
116.98601	1.7
120.08100	1.2
121.75460	1.0
127.03909	8.0
128.07088	1.0
133.06479	2.0
134.99655	1.7
135.04437	1.4
136.06181	32.8
137.04617	0.9
137.05927	1.8
141.02437	0.8
141.09117	1.2
145.04955	6.9
145.08607	1.4
147.04376	2.4
148.03925	3.7
148.06154	16.1
155.05666	1.5
158.99712	1.0
161.05956	0.9
163.05981	2.7
167.07040	1.3
167.10674	1.1
175.04004	1.4
176.03426	11.3
194.04478	45.6
195.04778	2.6
204.12320	6.1
205.08826	2.4
205.12207	1.5
219.06053	1.1
222.03967	86.4
222.13443	100.0
223.04236	3.6
223.09486	1.5
223.13634	3.4
237.02811	1.6
301.54889	0.9
384.13342	22.9
384.18716	45.3
385.14859	8.6
385.19055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1868
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03922	1.0
55.01849	1.2
55.05490	1.2
55.64283	0.4
56.96550	0.5
57.03433	5.0
61.02924	3.7
66.81117	0.4
67.00771	0.4
67.05506	0.6
69.03423	10.5
69.07062	6.4
71.01322	0.6
71.04956	1.4
71.41634	0.9
73.02508	0.5
73.02911	8.8
79.05485	0.7
81.03408	3.3
81.07027	0.7
82.77959	0.5
82.97451	0.5
83.04987	0.6
83.08593	1.7
85.02898	19.6
85.06521	0.7
87.04428	1.6
87.08086	0.6
87.88825	0.4
91.03921	1.1
91.05461	0.8
93.06988	0.7
95.04935	0.9
97.02278	0.6
97.02883	11.0
98.97572	0.6
99.04450	1.1
105.07004	0.9
107.04921	0.5
107.08570	0.5
109.02858	2.6
111.04427	0.6
115.03931	3.0
116.98547	0.7
119.01889	0.7
119.03436	0.4
119.04960	0.5
124.07572	0.5
127.03908	5.3
133.04974	1.1
133.06535	0.8
134.99622	0.6
136.06172	34.7
137.04536	0.9
137.05945	1.4
140.07002	0.9
145.02908	0.6
145.04959	6.2
147.04349	0.4
148.06160	16.3
150.07590	0.5
151.03918	0.6
155.05559	1.0
158.99496	0.6
161.05974	0.6
163.05986	2.4
164.07079	0.7
166.08586	0.7
176.03436	1.1
177.05449	1.0
187.09601	0.7
193.04893	1.1
194.04506	4.7
204.12424	6.3
205.08881	1.1
216.07104	1.2
222.03989	7.0
222.13466	100.0
223.06114	0.6
223.13788	2.3
237.02843	0.7
254.08672	1.3
258.08191	1.4
282.08130	0.7
342.10291	2.5
343.10263	0.5
384.13400	4.7
384.18710	45.6
385.14850	8.6
385.19250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73116	0.9
53.03935	5.2
55.01878	7.6
55.05493	1.3
57.03432	6.5
57.07064	1.8
61.02923	7.0
62.21317	0.9
63.04470	1.1
66.37158	0.9
68.99780	1.7
69.03429	31.7
70.96867	2.1
71.04987	4.2
73.02914	6.9
79.05473	1.1
81.03416	25.9
81.07016	1.3
83.01351	1.0
85.02902	100.0
86.03236	1.2
87.00828	42.9
87.04439	2.3
87.44227	0.9
89.23962	0.9
91.03934	1.1
91.05496	1.7
97.02888	34.6
99.04450	12.9
105.01863	78.6
107.04046	0.9
107.04920	1.4
109.02879	31.3
110.03156	0.9
115.03938	1.5
115.33501	1.0
117.01836	3.5
119.10670	5.0
127.03912	72.6
128.04297	1.0
129.01837	3.2
137.05933	1.8
138.22235	0.9
145.04955	31.4
147.02896	2.1
147.04506	0.9
153.05441	2.9
159.02905	13.0
164.54030	1.0
189.03859	1.8
189.88455	1.1
201.05457	3.2
204.10208	1.0
213.03903	4.9
222.11433	1.1
227.12804	1.5
231.04997	22.2
249.06029	8.6
295.05640	1.0
384.15997	1.1
384.23190	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01869	1.2
55.05505	45.8
57.03433	1.7
58.99591	2.3
61.02919	2.4
61.46819	0.5
69.03419	3.9
69.07031	0.5
69.51801	4.2
69.82816	0.4
71.04991	0.9
73.02899	1.4
76.02222	0.8
77.53826	0.4
77.65827	0.5
81.03394	3.0
81.07065	0.6
83.08611	100.0
84.08937	0.6
85.02899	16.7
86.99034	3.5
87.04461	0.9
88.03990	0.5
91.03932	0.9
91.05440	0.5
97.02888	5.9
98.41917	0.6
98.97575	0.7
99.04446	0.8
100.02181	0.7
101.09647	17.5
105.00076	7.7
107.24174	0.5
109.02876	1.4
121.02829	0.5
122.02711	2.0
123.25023	0.5
127.03892	3.7
131.04950	0.7
145.04900	2.7
153.05475	0.7
159.08398	1.9
167.07045	0.7
183.21693	0.5
187.07892	1.7
200.33029	0.5
205.08917	68.2
206.09254	0.7
222.11571	87.0
222.14679	5.3
223.11871	1.5
248.05766	0.7
264.12567	2.1
300.12622	1.6
348.14377	1.4
366.15729	1.7
384.16989	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	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.64610	0.3
53.69870	0.4
55.01846	1.5
56.96548	0.7
57.03434	2.7
61.02895	1.0
61.24121	0.4
69.03424	2.9
70.02917	0.6
70.06586	5.3
71.01340	0.6
71.51872	0.5
71.52205	0.5
72.08142	0.4
73.02886	1.5
73.60054	0.4
77.30494	0.4
81.03396	0.6
81.07043	0.5
84.08118	0.6
85.02904	4.5
91.05415	0.5
95.04906	0.6
97.02901	2.0
97.46674	0.4
98.12106	0.3
98.97561	0.6
99.00779	0.7
102.25680	0.4
103.05403	0.4
105.07040	2.5
109.02868	0.4
110.97572	0.4
115.03899	0.9
115.05444	0.5
116.98595	0.9
119.03506	0.6
119.04890	0.4
121.05105	0.9
123.04400	0.6
125.02367	0.3
127.03825	0.6
133.04912	0.6
133.06459	2.1
134.99625	0.5
135.06610	1.7
136.06180	17.9
137.04536	0.8
137.05939	2.4
138.05492	0.8
145.02733	0.4
145.04918	1.0
145.06465	0.4
146.99652	0.7
147.04385	1.0
148.06154	6.6
151.03883	0.9
155.05615	0.7
160.06206	0.9
161.05971	3.8
162.07741	35.9
163.03822	0.5
163.08513	0.5
165.05466	5.2
167.07048	1.2
171.06601	0.4
177.00819	0.4
177.05469	0.8
181.04745	0.5
187.09863	0.4
187.85101	0.4
188.05664	13.5
189.00536	0.5
192.05151	19.7
193.05359	0.7
193.08592	2.2
193.84319	0.4
205.07045	0.4
206.06743	7.4
207.06483	0.5
216.05225	0.7
217.08810	0.3
221.12003	0.4
222.03954	0.9
222.11192	1.2
223.08231	0.8
234.06219	11.3
237.02933	0.6
251.09142	0.7
252.07268	100.0
253.07565	2.1
297.14377	0.4
298.14841	1.6
319.07632	0.4
324.10294	0.4
367.13651	0.5
384.11533	29.1
384.16486	3.7
385.11765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.03444	1.9
57.07088	1.9
63.76834	1.9
67.05511	10.2
67.85533	1.7
69.07057	7.2
71.63342	2.5
79.05479	6.9
81.07053	30.3
83.08611	2.4
86.17986	1.7
91.05475	11.8
93.07034	19.7
95.08598	30.0
97.06513	2.5
97.10172	2.6
105.07027	100.0
106.07332	2.0
107.08586	27.0
109.10136	13.0
116.42938	2.0
119.08571	60.0
120.08853	2.5
121.10142	15.3
123.11720	7.2
131.08522	3.3
133.10112	18.7
135.11697	15.6
137.13243	3.6
142.73750	1.8
144.68968	1.6
145.10081	4.7
147.11674	17.0
149.13232	8.1
159.11707	6.3
161.13255	99.2
162.13626	2.5
163.14821	12.5
173.13286	4.2
175.14835	22.1
177.16425	3.9
179.14279	4.3
187.14816	5.0
189.16399	7.4
191.17934	18.0
197.09639	9.0
201.16331	3.9
203.17995	4.3
215.17926	2.1
217.19524	2.2
229.19402	2.8
241.19209	2.1
301.28635	1.9
309.18484	2.0
314.50101	2.0
357.38608	2.2
362.03488	2.1
365.32104	8.8
383.25647	2.4
383.33282	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05507	4.7
57.07069	2.9
67.05508	6.6
69.07060	6.4
69.42972	12.5
79.05486	8.4
81.03423	2.3
81.06583	1.4
81.07055	26.4
83.08604	3.7
91.05473	10.9
91.35753	1.2
93.07041	18.8
95.04945	2.2
95.08048	1.9
95.08609	27.6
99.08091	1.3
103.05479	1.4
103.96233	1.2
105.07025	100.0
107.08595	22.4
109.06501	1.7
109.10162	12.5
117.07001	1.8
119.08578	55.3
121.10141	15.8
123.11718	5.5
131.08563	4.8
133.10127	19.4
135.08066	1.8
135.11694	16.7
137.13239	2.0
145.10138	7.0
147.11678	13.1
149.13240	7.7
159.11708	11.0
161.13249	90.2
162.13672	2.8
163.14836	9.4
171.11684	1.8
173.13249	3.9
175.14818	23.2
177.12723	2.5
177.16356	5.4
179.14319	3.7
187.14862	4.1
189.16391	6.9
191.17938	17.6
192.87282	1.5
201.16348	7.3
203.17915	5.6
207.17418	1.6
215.17865	2.7
217.19484	2.9
229.19623	1.7
365.31998	6.7
383.33231	34.2
384.33505	3.4
389.37772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.0
55.01868	14.9
55.05506	22.0
57.03434	15.3
57.07071	9.1
61.02916	9.6
65.03928	5.8
67.05499	41.6
67.78257	4.6
69.03428	46.4
69.07066	36.7
71.04993	55.3
71.60782	9.4
73.02917	12.3
79.05491	50.3
81.03409	30.0
81.06581	5.3
81.07056	100.0
83.04987	19.3
83.08623	18.2
84.08173	5.4
85.02905	67.3
85.06529	8.8
91.05467	46.3
93.07036	84.2
95.04967	40.3
95.08608	74.3
97.02882	34.2
97.06542	24.4
97.10212	7.2
99.04447	15.5
99.08117	13.2
100.11261	7.4
103.03938	17.4
105.07025	94.8
107.04952	19.7
107.08588	89.8
109.02879	11.8
109.06508	24.3
109.10153	75.5
110.92693	4.4
111.04440	19.0
111.08094	9.9
115.03931	7.0
117.07004	22.1
119.04928	10.4
119.08594	91.6
121.06511	19.0
121.10147	71.3
123.04436	12.2
123.08038	17.2
123.11668	26.4
125.05982	6.2
125.09614	24.3
127.03930	13.5
127.11166	32.7
129.07011	20.7
130.07806	6.4
131.04918	5.5
131.08571	37.3
133.06456	10.9
133.10143	69.5
135.08066	15.5
135.11687	58.2
137.05997	27.1
137.09633	19.8
137.13246	8.9
141.06982	6.6
142.07773	7.6
143.08546	25.0
144.09406	4.9
145.06477	13.5
145.10124	68.6
147.04382	13.8
147.08023	12.1
147.11697	61.1
149.09663	9.4
149.13258	19.9
151.07529	11.1
151.11147	7.5
153.12766	17.4
155.08578	13.6
156.09328	8.2
157.08963	4.7
157.10123	32.8
159.08055	8.6
159.11679	71.2
161.05995	8.4
161.09595	17.6
161.13287	27.3
163.03828	5.1
163.11162	8.1
163.14816	11.8
165.09096	11.4
165.12746	10.5
169.10123	8.8
171.11676	39.4
173.09624	9.8
173.13217	25.0
175.03914	13.4
175.07655	6.1
175.11169	10.0
175.14816	19.6
177.12733	6.6
177.16425	7.4
179.14221	5.0
181.10242	4.7
183.11690	16.6
185.13237	15.0
187.11209	15.4
187.14880	17.0
189.09085	7.5
189.12770	8.1
189.16341	27.5
191.14262	8.7
193.15970	8.2
195.11807	6.3
197.13300	7.2
199.14806	12.6
201.12891	12.3
201.16354	25.6
203.14380	9.3
203.17955	27.5
207.06516	21.8
207.11746	6.8
213.12770	6.4
213.16336	6.8
215.14415	6.3
215.17970	10.2
217.10655	15.5
219.02950	12.7
219.08046	6.1
219.17487	11.3
221.15451	6.6
221.18988	10.9
225.12814	9.6
227.17853	8.6
231.10266	5.5
233.18959	18.8
241.15945	5.9
243.13992	8.6
243.17363	8.6
245.19022	22.5
257.19006	8.0
259.16986	6.1
261.09030	8.7
261.14978	8.9
261.18518	5.2
263.20361	5.9
273.09210	5.1
276.07745	6.8
287.20264	6.3
291.10074	9.8
298.05869	5.0
305.08099	6.7
305.11588	5.4
305.21075	7.1
311.20065	14.5
323.12656	7.3
329.21091	20.7
333.11215	8.3
337.10718	5.7
347.22101	18.5
351.08472	8.6
351.12311	7.6
353.06454	12.1
365.23099	30.9
383.10754	34.9
383.15256	62.3
383.24033	43.3
384.15677	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28813	1.5
53.99210	1.4
55.01865	4.7
55.05494	5.6
57.03415	3.9
57.07071	2.2
67.05500	14.5
69.07057	7.0
71.60847	1.8
71.61285	2.4
79.05492	7.2
81.07052	31.5
83.04983	4.5
83.08610	4.0
85.06554	1.8
91.05437	3.2
93.07032	5.8
95.08606	8.3
105.07023	4.6
107.08595	8.2
109.06534	13.1
109.10175	9.5
111.04443	19.0
119.08575	9.3
121.10141	8.1
123.08073	3.8
123.11622	2.2
125.05979	6.3
125.74146	1.6
131.08582	2.6
133.10149	7.5
135.08038	4.2
135.11679	6.3
137.05971	100.0
137.09644	2.0
143.08562	2.8
145.10109	4.6
147.08022	4.5
147.11674	6.2
149.09586	5.1
157.10057	3.5
159.11688	1.9
161.09596	5.7
161.13260	2.5
163.11107	3.3
165.09076	3.6
171.11705	2.3
173.11737	2.2
173.13185	2.0
175.11182	6.8
187.14778	2.2
193.12294	2.1
202.36545	1.8
203.17952	7.5
213.16399	3.0
231.17482	7.3
241.15993	2.0
249.18573	10.0
277.17987	69.4
295.19016	32.6
301.00943	1.7
330.99420	1.7
351.21643	6.1
383.24396	26.8
383.29214	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55564	3.9
53.85457	3.7
55.01853	5.9
55.05496	15.2
56.96545	7.4
57.03420	10.3
61.02898	6.0
65.03941	4.5
67.05489	29.0
69.03432	21.4
69.07075	20.9
71.04975	28.4
71.60835	4.7
73.02901	8.4
76.37301	4.1
79.05488	17.4
81.03402	9.0
81.07053	58.2
83.04977	10.3
83.08603	6.9
83.94909	3.7
85.02892	18.1
85.06532	6.2
87.04459	4.3
91.05433	29.1
93.07036	45.3
95.04945	12.0
95.08601	65.2
97.02868	20.1
97.06521	4.8
99.04486	5.3
103.03917	9.1
103.05516	5.4
105.07034	49.8
107.08578	27.5
109.02875	5.1
109.06499	11.3
109.10159	31.0
111.04446	7.1
111.08061	6.5
111.76750	4.3
115.03873	5.5
117.07015	9.7
119.04961	4.9
119.08571	100.0
121.06464	9.9
121.10132	48.5
123.04391	5.6
123.08031	11.8
123.11740	20.3
125.09639	4.3
127.03896	5.1
127.11158	15.3
128.06233	5.6
129.05446	6.5
129.06946	9.6
131.08543	23.2
133.05029	5.0
133.10117	21.6
135.08061	6.4
135.11699	10.7
137.05963	5.5
137.09599	11.0
142.07745	11.1
143.08549	14.6
144.09320	5.3
145.10117	36.4
147.07976	5.0
147.11674	33.3
149.09563	5.5
149.13266	6.1
151.11163	6.5
155.08513	7.8
156.09357	9.2
157.10121	49.6
159.07996	4.8
159.11684	48.1
161.09535	5.2
161.13271	15.1
165.12817	5.5
169.10097	16.1
171.08136	4.5
171.11697	25.6
173.09662	4.9
173.13257	17.2
175.11230	5.8
175.14796	6.9
177.00616	4.3
177.12790	6.6
183.11694	15.6
185.13234	11.7
187.11125	8.2
189.12688	6.6
192.09381	4.2
195.11732	6.8
197.13266	12.5
201.12732	16.6
201.16331	7.1
203.17999	10.8
207.11729	11.2
213.12698	10.7
213.16376	4.8
217.16013	5.8
219.17459	4.6
221.18901	8.3
225.12709	10.9
231.17461	7.6
233.18980	11.5
243.13744	6.6
245.19058	18.0
261.14758	6.7
269.19006	4.3
275.20285	4.6
287.20074	6.6
299.20074	9.3
311.19955	12.1
329.21075	13.0
347.21881	9.0
365.23248	11.8
381.28806	4.2
383.10846	4.9
383.15073	6.5
383.24564	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34718	4.4
54.32578	3.9
55.01870	7.1
55.05496	15.6
57.03424	9.4
57.07063	6.1
61.02922	6.0
67.05498	31.7
69.03423	21.8
69.07065	31.8
69.48701	9.1
69.49110	36.5
71.04979	23.1
73.02923	7.5
75.25215	4.9
79.05486	18.5
81.03405	12.3
81.07054	58.7
83.04976	6.7
83.08609	13.2
85.02900	22.5
85.06522	7.4
87.04458	4.7
91.05470	24.6
93.07040	46.9
95.04948	12.2
95.08599	78.3
97.02898	19.0
97.06535	7.4
97.10177	6.3
98.20763	9.2
99.04457	4.8
103.03977	4.4
105.07018	53.4
105.54417	3.9
107.04925	8.6
107.08577	32.2
109.06513	11.0
109.10159	40.9
111.04443	7.8
111.08061	12.4
115.03899	7.0
117.07005	12.0
119.08575	100.0
121.06523	6.4
121.10149	40.5
122.58237	4.1
123.04426	4.6
123.08046	16.3
123.11707	19.9
125.09657	5.5
126.72593	5.0
127.03935	8.1
127.11204	11.1
129.06961	4.5
131.08566	15.7
133.04926	7.7
133.10118	20.0
135.08037	7.3
135.11726	10.8
137.05962	6.2
137.09660	10.2
137.13289	5.8
142.07751	10.6
143.08508	15.2
144.09351	6.5
145.06485	7.4
145.10072	32.6
147.11656	37.1
149.09634	7.5
149.13264	11.2
151.11169	8.1
155.08485	12.1
157.10110	50.3
159.11684	44.8
161.09624	8.5
161.13260	17.4
165.09096	5.4
167.14388	4.3
169.10149	19.6
171.11649	25.6
173.13254	15.4
175.11230	5.7
175.14806	5.6
181.08580	5.0
183.11769	11.6
185.13208	6.8
197.13284	6.1
201.12650	10.8
201.16280	6.3
203.17979	15.2
207.11670	12.2
209.13248	8.4
213.12741	11.0
219.13919	5.8
219.17555	6.2
221.19026	10.9
225.16351	5.0
227.17960	6.6
233.18996	16.0
240.60594	6.3
243.13892	10.0
245.19006	9.5
249.14938	4.6
261.15021	6.0
273.14963	5.0
281.10474	7.7
287.20300	5.8
299.20023	8.9
311.20114	5.6
317.21310	5.4
329.21075	11.0
335.05518	4.9
347.22131	9.7
365.23065	9.8
383.11066	56.2
383.24005	14.1
383.27649	16.0
383.31964	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.7
53.03943	5.1
55.01869	20.2
55.05505	18.1
57.03428	9.8
57.07070	4.7
58.96774	2.3
59.04976	3.7
61.02915	7.3
67.05505	18.2
68.99787	8.6
69.03426	100.0
69.07055	11.3
71.01354	3.5
71.04987	60.6
71.54856	3.6
73.02912	5.1
79.05492	27.9
81.03416	40.1
81.07052	40.5
83.04955	13.7
83.08615	2.8
85.02899	49.3
85.06551	3.4
87.00822	30.5
87.04460	3.6
91.05479	46.7
92.71415	2.5
93.07043	59.0
95.04970	17.7
95.08620	22.0
97.02869	35.7
97.06528	4.4
99.04461	9.6
99.08105	4.8
103.03931	5.8
103.05460	5.5
105.01846	7.7
105.07026	75.8
107.04964	14.1
107.08584	56.1
109.02874	6.1
109.06499	25.4
109.10149	17.4
111.04433	9.9
111.08135	2.7
115.03921	8.1
115.05428	6.2
117.01829	3.3
117.07008	23.7
119.04941	11.6
119.08578	47.7
121.06494	29.4
121.10127	25.0
123.04414	15.1
123.08069	21.1
123.11694	11.5
125.02425	2.9
125.05985	2.6
127.03908	11.8
127.07570	3.9
127.11308	3.5
128.06226	8.5
128.91704	2.7
129.01836	5.6
129.06972	12.9
130.07773	8.8
131.04930	4.0
131.08568	27.1
133.06499	13.0
133.10120	21.8
135.08022	17.2
135.11676	26.5
137.05986	9.4
137.09644	11.0
137.13246	4.3
142.07719	4.0
143.08586	16.7
145.06496	9.2
145.10109	44.9
147.08044	25.0
147.11668	18.6
149.09607	8.4
149.13194	3.8
151.07547	6.0
151.11179	16.2
153.06995	3.1
154.07742	3.1
155.08548	17.4
156.09378	3.8
157.06462	4.9
157.10127	8.1
158.07262	6.3
159.02875	8.7
159.08035	14.2
159.11731	17.1
161.09641	7.2
161.13289	5.6
163.07513	4.6
163.11159	25.5
165.12730	18.4
167.07126	3.6
167.08414	3.4
171.08038	9.8
171.11711	6.7
173.09621	56.9
173.13264	10.4
175.03976	2.8
175.07533	13.0
175.11168	15.9
177.09145	3.9
177.12758	36.8
179.14375	5.9
183.11627	3.2
187.07489	2.9
187.11151	7.3
189.04027	5.5
189.09114	6.3
189.12637	17.1
191.10643	32.0
193.12257	10.1
197.13298	7.9
199.11203	3.8
201.03992	23.9
201.09140	7.0
201.12764	9.1
203.10661	3.0
205.12268	10.7
207.06564	5.9
207.13811	8.3
215.14337	8.8
217.12173	4.4
219.13799	11.3
225.12752	7.7
231.05045	3.3
231.13759	5.9
233.15358	7.4
243.13766	38.6
261.14859	49.0
266.42514	2.7
279.15848	18.3
347.14920	26.3
356.63971	2.4
365.15961	24.7
383.17181	34.5
383.27646	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52426	3.1
53.03943	6.2
55.01869	15.9
55.05511	15.7
57.03429	10.0
60.70526	3.1
61.02917	4.0
62.81218	3.1
65.03934	5.4
67.05502	24.3
68.99771	7.3
69.03423	60.9
69.07059	10.5
71.01347	4.0
71.04985	13.8
71.60455	3.7
71.60822	4.1
73.02923	6.5
77.52715	3.4
79.05486	36.2
81.03414	31.2
81.07050	59.2
83.04983	19.4
83.08615	3.5
83.48621	2.9
85.02904	43.8
87.00824	29.2
89.90694	2.8
91.05466	37.5
93.07044	100.0
95.04958	25.6
95.08606	35.5
97.02872	24.1
97.06522	11.6
98.97561	3.4
99.04458	15.2
100.11213	5.3
103.03954	11.1
103.05480	5.2
105.01869	5.9
105.07026	72.0
107.04936	8.0
107.08592	89.8
109.02866	12.4
109.06522	16.0
109.10153	21.0
111.04444	14.8
111.08092	4.7
115.03931	9.2
115.05416	3.9
117.06996	12.9
117.93427	3.4
119.04906	8.1
119.08578	40.0
121.06520	18.8
121.10129	37.4
123.04430	12.2
123.08081	13.1
123.11679	10.0
125.05997	5.1
127.03934	21.6
128.06218	6.0
129.01828	4.9
129.06981	6.3
131.08569	26.7
133.06496	10.1
133.10130	38.5
135.08054	10.8
135.11697	56.7
137.05949	20.7
137.09610	6.0
137.13222	4.9
142.07790	7.6
143.08580	10.4
145.04993	4.2
145.06483	8.7
145.10133	26.0
147.02870	3.7
147.08052	7.3
147.11687	35.7
149.05977	7.2
149.09618	9.7
149.13258	9.1
151.07568	9.8
151.11185	4.8
155.08487	7.0
157.10106	16.9
159.02946	9.1
159.08011	10.5
159.11647	25.1
161.05989	4.3
161.09604	13.9
161.13239	8.1
163.11197	39.2
165.09195	4.1
165.12718	31.3
167.07042	9.1
167.08571	4.1
169.10106	7.4
171.08008	6.5
171.11662	8.0
173.09665	8.6
173.13257	5.3
175.07518	8.3
175.11203	12.1
176.07053	3.8
177.09142	6.9
177.12750	21.8
182.11058	4.3
185.09647	6.1
187.11165	13.6
189.03931	6.7
189.12720	13.2
191.14302	3.7
193.12292	9.1
197.13260	7.5
199.11188	6.1
200.60548	3.2
201.03952	12.7
201.09085	5.3
201.12674	10.5
203.10634	10.5
203.14301	4.6
204.93684	3.4
205.12202	7.1
207.06563	6.9
207.13748	5.2
215.14294	12.3
219.13896	6.3
221.11717	4.0
221.15337	16.6
225.12726	6.4
231.13736	8.1
233.15392	7.0
243.13785	37.7
261.14838	67.3
271.14069	3.7
279.15845	7.5
283.05969	5.7
309.11084	5.4
337.10471	4.2
347.14850	18.7
360.14142	7.2
365.10471	5.5
365.15927	33.1
383.17194	35.1
399.29184	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	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.1
69.38893	4.1
69.39307	1.1
71.95258	0.9
77.93580	0.5
81.81062	0.5
98.20737	0.8
98.97580	40.5
99.18499	0.6
116.98621	54.7
117.98922	0.5
119.01128	0.6
119.01888	2.4
134.99660	50.3
137.02945	1.3
140.00220	1.2
153.00700	12.7
158.01253	2.1
177.00909	2.9
178.01089	0.7
179.00653	0.7
192.98634	0.8
206.15694	0.5
216.98735	0.9
219.01982	4.3
220.02162	1.5
221.01746	0.7
234.99820	3.5
235.99947	1.5
236.99506	0.9
240.98604	5.0
256.96667	2.3
258.99771	42.8
259.99841	2.8
260.99887	2.4
261.03094	7.6
262.03168	2.6
263.02905	1.2
268.28207	0.5
272.94370	0.5
274.97650	2.1
275.97937	0.8
277.00830	100.0
278.01016	6.2
279.00891	4.7
279.98181	0.7
280.00958	0.8
282.01416	2.1
282.99850	2.8
284.00146	2.0
284.99789	7.0
285.99887	0.6
290.47568	0.6
292.98712	0.7
295.01956	1.9
298.97787	0.9
299.97641	0.9
300.02469	6.2
301.00967	10.4
302.01117	5.3
303.00867	16.2
304.00946	1.9
307.85248	0.5
316.98834	1.8
317.95303	0.9
317.98468	2.3
318.98874	0.7
319.02115	0.9
321.01898	2.1
326.02802	0.6
346.42456	0.9
346.94586	0.7
354.93527	0.7
357.93295	0.6
359.02289	0.7
359.94339	0.6
359.99890	2.4
365.91940	0.6
366.42288	0.6
366.92194	1.3
368.95737	0.6
369.43259	0.6
371.96307	0.7
372.90845	0.7
377.03177	0.7
378.93390	0.9
379.95126	0.6
380.95523	1.5
382.96155	2.9
386.92209	0.7
389.45389	1.0
396.94717	1.0
398.93512	0.6
398.98511	0.7
400.97110	16.8
401.01642	3.7
401.97678	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01859	0.3
57.03411	1.0
57.03668	0.2
57.96912	0.2
61.02916	0.6
62.74949	0.2
66.20229	0.2
69.03428	2.6
69.52925	2.2
71.01308	0.4
71.04950	0.4
73.02906	2.3
80.49767	0.2
81.03389	0.7
83.04915	0.3
85.02511	0.2
85.02901	3.0
87.03914	0.3
87.04467	4.0
93.07056	0.2
97.02898	1.3
98.21518	0.5
99.04457	2.4
101.02349	0.4
109.02865	0.4
118.06528	2.3
127.03894	0.7
132.08092	0.6
133.08830	0.3
134.09579	0.3
141.21999	0.2
146.09628	0.7
162.09148	1.3
176.10704	0.8
176.14337	16.3
177.11392	0.7
177.14636	0.6
189.14999	0.3
190.12233	0.6
202.15875	0.8
220.16954	49.3
221.17296	1.8
353.68536	0.3
377.01691	0.4
382.22226	100.0
383.08044	0.3
383.16730	2.2
383.22525	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	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01869	3.5
55.05510	11.2
57.03431	3.2
59.04991	2.9
60.04525	2.1
61.02916	3.8
61.68724	1.6
67.05509	6.5
69.03422	15.7
69.07058	8.1
69.93083	8.1
71.04984	7.2
73.02919	3.9
75.36689	1.3
76.16471	1.2
79.05489	8.8
81.03417	5.7
81.07053	16.7
83.04975	9.2
83.08607	4.7
85.02900	30.7
85.06524	3.3
86.09708	1.7
87.00829	5.5
87.04470	3.9
89.06030	1.6
91.05491	4.1
93.07024	7.4
95.04965	7.6
95.08594	12.5
97.02910	12.3
97.06522	11.3
97.10159	4.2
98.97585	2.0
99.04457	4.6
99.08089	36.5
101.06035	2.2
105.01859	6.7
105.07027	4.4
107.07867	2.3
107.08589	41.7
109.02881	5.0
109.06504	5.5
109.10151	20.1
111.04450	2.1
111.08035	1.7
111.11746	2.3
113.06003	4.5
115.03924	3.4
116.98652	2.0
117.09129	4.6
119.08577	1.6
121.06512	2.1
121.10137	18.2
123.08055	12.1
125.05985	4.3
125.09630	21.8
127.03907	9.3
127.07518	1.6
131.08519	2.7
137.06056	1.4
137.09613	10.0
139.11192	16.5
145.04941	8.8
147.04430	3.0
149.09631	6.4
155.10666	20.6
157.12228	7.2
161.13292	2.3
167.07108	2.5
167.10669	73.7
168.11060	1.6
177.05496	2.3
185.11716	100.0
186.12080	2.5
203.12772	59.8
231.05135	2.8
242.08115	3.8
249.05917	1.5
263.09991	4.1
364.14777	4.1
382.15768	17.6
382.27841	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78280	1.0
55.01873	2.3
55.05505	4.5
56.10628	1.1
57.03436	5.5
57.07053	1.2
59.05000	3.1
61.02917	3.4
61.69122	1.2
66.53203	1.3
67.05491	3.6
69.03425	9.3
69.07059	3.9
70.64524	1.4
70.64855	2.5
71.04990	6.9
73.02914	2.9
79.05489	7.5
81.03390	3.4
81.07059	12.0
83.04973	6.0
85.02899	19.9
87.04488	1.4
89.06036	1.4
93.07016	3.4
95.04960	4.5
95.08574	5.7
97.02883	4.2
97.06541	5.8
97.10135	1.6
98.97576	1.9
99.04474	1.1
99.08089	18.4
105.07024	2.8
107.08590	18.5
109.06518	2.5
109.10158	14.3
111.04464	2.5
111.11743	2.8
117.09142	4.0
121.10135	9.9
123.08040	5.3
123.11668	1.2
125.06086	1.5
125.09609	15.4
127.03919	4.4
127.11227	1.2
136.08910	1.3
137.09613	10.0
139.11177	14.3
140.07123	1.1
145.04959	3.4
149.09621	4.2
153.09088	5.2
155.10692	9.1
157.12234	3.2
167.10670	43.6
171.10156	13.7
185.11732	34.5
203.12770	100.0
204.13124	1.6
220.09805	1.4
242.08069	4.4
264.06183	1.3
325.24304	1.3
382.11710	6.9
383.12991	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77649	0.8
53.03937	3.5
55.01867	5.7
55.05507	1.6
57.03431	4.2
61.02921	5.0
61.91293	1.0
67.05511	2.1
68.99780	1.5
69.03069	1.4
69.03426	22.4
69.07064	2.6
70.06580	4.1
70.20924	4.4
71.04988	37.1
73.02911	5.7
74.22952	0.8
79.05483	2.6
81.03409	17.1
81.07049	8.9
83.04995	1.1
83.15769	1.0
85.02900	62.0
85.06559	1.4
86.03278	0.9
87.00832	24.1
91.05473	4.0
93.07049	3.7
95.04982	1.1
95.08610	3.6
97.02892	26.6
97.06519	2.5
99.04435	9.8
99.08086	37.2
105.01859	42.2
105.07034	2.5
107.08582	4.1
109.02872	21.8
109.10104	1.0
110.07117	1.0
117.01886	1.2
117.09124	100.0
118.09472	1.2
121.10134	21.2
123.11724	4.8
125.05991	2.7
125.09591	1.6
127.03909	55.6
128.04291	0.9
129.01788	1.3
134.06851	1.5
136.07578	2.1
139.11159	10.5
145.04958	26.2
147.02850	2.1
149.09618	2.2
159.02872	11.7
167.10667	13.2
167.28703	1.0
175.14789	1.1
185.11722	70.5
189.03896	1.5
203.12738	3.6
213.03964	6.2
220.09592	2.1
231.04974	16.3
249.05946	6.2
252.56639	0.9
346.17111	1.3
380.01270	1.0
382.10635	1.6
382.14978	2.7
382.19162	1.4
383.16998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01431	1.8
53.03934	2.4
54.74384	1.9
55.05509	15.6
57.03427	6.2
57.07060	3.8
65.03934	3.6
67.05499	86.7
69.07067	16.4
71.05013	2.0
71.60834	2.7
71.61195	2.3
72.08148	5.4
72.86239	1.8
73.08469	1.7
79.05488	29.0
81.07052	100.0
83.08630	9.9
91.05473	13.7
93.07039	45.5
95.04963	3.5
95.08599	82.9
97.06529	2.8
97.10154	5.9
99.08141	2.0
105.07025	16.5
107.08580	28.6
109.06523	2.0
109.10151	41.6
117.07024	6.6
119.08571	11.1
121.10133	29.4
123.11703	19.4
131.08571	17.1
133.10118	11.8
135.11678	22.9
137.13252	8.6
143.08562	2.5
145.10077	11.0
145.84187	1.9
147.11668	6.7
149.13246	14.8
151.14781	2.2
159.11682	10.0
161.13243	4.7
163.14777	6.9
165.12767	1.6
173.13293	11.5
175.14813	6.0
177.16389	4.8
187.14818	6.7
189.16388	5.4
191.17975	2.4
201.16389	2.1
211.40407	1.9
218.53133	1.9
233.18922	2.0
247.20674	2.2
261.25671	5.1
271.24158	11.9
289.25247	82.1
290.25595	4.9
307.26367	5.8
363.28860	15.9
381.30188	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	382.1705
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.04531	0.6
53.05776	0.6
55.01859	0.9
57.01541	0.6
57.07062	2.3
59.04984	1.5
61.02911	1.0
67.05486	1.8
67.12453	0.5
69.03410	1.5
69.07046	1.8
70.02947	1.6
71.34455	1.2
72.04508	6.0
73.02905	1.8
85.02914	2.8
85.06546	4.0
87.08097	0.8
90.05550	48.9
95.04935	2.0
96.08104	0.6
96.56552	0.6
97.02876	1.1
98.02406	5.4
100.03991	1.1
103.07568	2.7
111.76667	0.6
113.05993	0.9
116.03447	7.7
122.92507	0.5
124.07587	6.2
124.64277	0.5
142.08643	3.7
156.10072	0.5
160.09686	0.8
166.08530	1.4
174.11154	1.0
184.09676	10.3
202.10741	17.8
220.11789	100.0
221.12119	2.5
238.18143	0.6
255.37532	0.5
306.39764	0.6
348.69583	0.6
354.53345	0.6
383.09509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99267	1.6
56.96562	32.0
57.03428	7.3
61.02923	6.1
69.03413	13.0
70.06554	1.8
73.02910	15.1
75.04474	1.9
81.03424	3.3
83.04981	2.4
84.96031	4.0
85.02894	18.4
86.09691	1.8
87.04470	2.5
97.02330	2.6
97.02872	11.9
98.66989	1.5
98.97578	43.4
98.98189	3.3
99.04444	3.6
106.42569	1.7
109.02867	2.5
110.97525	8.3
112.99067	3.6
115.00690	3.2
115.02416	2.9
116.98611	25.4
119.01900	7.5
125.48487	1.7
127.03880	4.7
128.98624	12.1
129.02208	3.1
131.00171	14.0
131.01825	8.3
133.01724	6.8
133.03461	21.2
134.99649	9.3
143.00175	3.3
143.01917	4.8
145.01735	1.8
145.03476	8.1
145.04965	3.0
146.99631	8.4
147.03308	8.2
147.05035	2.2
149.01208	13.3
149.02933	2.0
151.04510	5.1
152.98553	2.7
155.01909	8.0
157.03468	5.2
158.99614	13.2
159.03362	7.6
159.04999	9.3
161.01247	8.7
161.02875	7.8
162.99153	1.6
163.02794	4.0
163.04489	2.1
165.00653	3.0
165.04205	2.2
169.04449	2.2
170.06113	2.8
170.99556	3.2
171.05009	5.5
173.01311	3.6
173.02986	10.9
175.02763	4.5
175.04320	2.9
177.00705	18.4
177.04355	26.0
177.05951	5.4
179.02202	4.1
183.05084	4.6
185.02954	4.6
187.02911	1.9
187.04495	2.4
189.00706	6.1
189.04309	5.5
189.06042	4.0
191.02283	2.4
195.01668	2.3
195.05415	15.2
195.07141	4.6
197.02986	3.9
201.00735	4.1
201.04349	7.4
201.05975	2.9
203.04065	2.3
205.03870	3.1
213.06100	2.6
217.03816	2.6
218.06406	3.1
219.01799	20.2
219.05322	11.1
219.07173	19.9
221.03290	2.4
221.05066	14.6
223.04839	2.4
227.07013	3.4
231.07135	19.6
233.03287	2.2
233.08696	6.1
234.98802	2.1
237.02786	47.8
237.06520	4.4
242.07568	3.6
245.05090	16.9
247.04890	2.6
251.04491	2.3
255.03857	5.0
255.07236	8.8
259.06790	2.3
261.06284	2.6
263.06119	1.8
265.05939	5.1
269.05481	2.3
273.08270	5.6
277.05646	2.3
277.56039	1.8
278.08286	6.2
287.06287	2.9
293.05463	2.7
295.06982	3.3
321.10724	100.0
322.10352	5.9
339.09445	56.1
362.11624	2.6
381.10855	33.4
382.11795	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.09979	0.6
56.96560	8.4
57.03426	1.3
63.16402	0.6
69.03415	2.5
70.47162	2.0
73.02906	2.7
74.97619	0.9
81.03409	1.5
83.04932	0.8
84.96056	0.9
85.02908	3.4
90.42325	0.7
97.02886	1.6
98.97575	16.6
100.99146	0.9
101.00883	0.9
103.02444	1.5
110.97579	2.1
112.99111	3.5
115.02425	2.4
115.03870	0.6
116.07100	0.9
116.98612	10.3
119.01904	6.2
127.03883	1.5
128.98576	3.0
129.02254	2.2
130.95634	0.7
131.00154	6.4
131.01845	4.9
133.01715	2.5
133.03461	16.7
134.99635	3.8
137.02916	1.1
141.03970	1.5
142.46266	0.7
143.00151	0.8
143.01901	3.1
145.01726	1.2
145.03470	3.9
145.04951	1.0
146.99631	3.0
147.01399	1.2
147.03281	5.8
147.04997	3.5
148.07889	0.6
149.01199	4.9
149.02901	1.2
151.02754	1.2
151.04498	4.3
154.04961	0.8
155.01851	5.3
155.02895	0.7
157.03436	4.0
158.01306	0.7
158.99641	6.6
159.03252	4.8
159.05020	8.8
161.01408	1.4
161.02962	5.0
163.02734	0.8
163.04454	1.1
163.35277	0.7
165.00732	0.7
165.04317	1.5
165.05968	1.0
167.01950	1.2
169.31413	0.7
170.99609	1.6
171.05078	5.8
173.01335	1.6
173.02960	8.9
175.02747	2.5
175.04507	4.9
177.00739	7.4
177.04337	15.5
177.06056	4.1
178.04907	0.7
179.02054	1.5
183.05016	5.2
185.02992	2.6
185.06628	1.7
187.02902	0.8
187.04532	2.0
189.00703	1.9
189.04305	2.4
189.06073	2.8
191.02278	2.8
193.03677	1.9
195.01685	0.8
195.05374	9.3
195.07156	4.6
197.02956	5.8
197.06656	1.4
198.82635	0.9
199.04497	1.1
201.00623	0.9
201.04317	5.9
201.06097	2.9
203.03975	2.5
205.03819	0.9
207.05203	1.2
211.04538	3.0
213.06090	2.1
215.03955	0.9
219.01807	7.5
219.05299	6.1
219.07147	21.9
221.05040	11.9
225.06085	1.5
227.01935	0.8
231.07137	24.2
233.03140	1.0
233.06802	0.8
233.08685	4.6
237.02795	19.9
237.06366	1.2
242.03629	0.7
245.05061	21.2
245.08803	1.1
247.06723	0.9
255.03917	2.1
255.07118	9.0
259.06622	2.3
261.08575	3.2
263.06140	2.2
263.09589	0.7
265.05780	1.5
269.05301	1.3
273.08249	8.8
291.09280	1.2
295.06915	1.9
303.09012	0.8
321.10495	100.0
322.10571	3.6
339.09302	21.0
362.11435	0.9
365.78992	0.8
381.11057	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	379.1575
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01857	0.4
56.96548	0.6
57.03412	1.0
59.06108	2.1
61.02916	0.8
67.05492	0.6
69.03420	1.9
69.55308	0.8
69.55704	2.8
70.06572	0.7
70.35046	0.4
72.08169	0.7
73.02913	1.6
74.06068	1.2
75.11411	0.4
79.05479	0.4
81.03409	0.8
81.07034	0.4
81.83007	0.3
85.02898	4.5
85.07705	0.4
89.03908	0.6
91.05512	0.4
93.07030	0.3
95.04957	0.9
96.08112	0.4
96.75111	0.3
97.02882	1.8
98.97574	0.9
105.07051	0.4
109.02888	0.8
110.05998	0.4
110.49922	0.4
115.03951	0.6
116.98610	1.4
117.03360	0.7
119.08652	0.4
122.02679	0.4
127.03912	1.4
128.98615	0.7
130.06531	0.4
134.99599	0.5
137.05960	4.0
138.06343	2.0
139.03894	0.5
142.08617	0.5
145.02843	1.4
145.04922	0.9
146.99678	0.6
147.04361	0.4
149.05948	0.5
158.08128	0.6
161.40517	0.4
170.99702	0.5
177.00740	0.6
177.05470	2.4
181.08646	0.4
183.06512	1.1
189.00690	0.6
199.09715	0.6
208.09659	0.7
217.10481	8.3
233.14888	0.6
234.99001	2.5
237.02837	1.3
319.04822	1.0
379.15744	100.0
380.16257	4.5
389.07654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97909	0.3
53.03934	0.3
55.01857	2.1
55.05491	0.5
56.96553	0.5
57.03430	0.5
60.04520	1.7
61.02916	0.4
63.14011	0.3
67.05489	0.4
69.03421	1.0
69.07060	0.4
70.06588	0.3
71.05004	0.4
71.19044	0.7
72.08159	0.4
79.05481	1.4
80.76944	0.2
81.03417	1.0
81.07053	8.2
84.04501	0.5
85.02905	3.9
87.04465	0.5
91.05484	0.8
93.07045	0.7
94.06572	0.3
95.04955	0.5
95.08601	0.8
97.02905	1.3
97.06516	0.7
98.97588	0.8
99.04443	0.4
105.07034	0.8
109.02872	0.4
109.06520	4.9
116.98594	0.6
117.03360	0.5
117.07073	0.4
119.04935	0.5
119.08553	0.5
122.06017	1.0
123.08074	0.9
127.03943	0.7
133.06502	0.4
137.05968	100.0
138.06308	1.6
140.06976	0.5
140.10684	2.0
145.04944	0.7
145.06483	0.5
146.99594	0.4
147.04399	1.2
147.08020	0.5
153.05443	0.5
154.08609	0.3
158.11797	0.4
158.55432	0.3
161.06017	0.3
165.05510	0.7
165.09117	0.8
167.07047	0.5
173.05998	0.8
174.05283	0.4
175.07521	0.5
177.05466	1.3
178.04982	0.3
183.06523	52.3
184.06879	1.1
200.12784	1.6
201.07539	0.5
201.11197	1.2
202.08499	0.4
207.06618	0.4
218.13878	1.4
224.09068	0.3
225.07106	0.3
228.09750	0.3
229.04936	0.5
230.93980	0.3
234.08046	0.3
234.11160	0.4
237.02783	0.4
261.07587	0.6
274.10675	0.6
276.12268	3.0
302.10257	1.0
320.11188	1.3
336.10318	1.2
362.12375	0.4
362.25354	1.0
380.13498	1.0
380.26712	0.5
381.12643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52030	0.8
53.03936	2.5
55.01865	3.3
55.05498	1.3
55.18539	1.0
55.88056	0.9
55.89043	0.8
56.05026	2.0
56.96566	1.9
57.03428	3.6
60.04524	5.7
61.02918	2.5
67.05486	3.4
69.03066	1.6
69.03424	19.1
69.07063	4.1
70.06580	3.4
70.83125	2.2
71.04985	3.9
73.02920	2.2
79.05486	3.6
81.03424	5.5
81.07057	3.7
82.06564	2.0
83.05016	1.1
85.02898	19.9
86.06062	1.5
87.04462	2.4
91.05476	6.8
93.07046	7.0
94.06565	1.1
95.04967	2.6
95.08652	1.3
96.04467	1.4
96.08129	5.4
97.02895	7.0
97.06532	4.7
98.97569	3.1
99.04433	2.3
103.05456	3.2
105.01883	2.7
105.07029	2.2
107.04882	1.9
107.08577	1.9
109.02861	2.8
109.06477	1.2
110.06057	1.6
111.08048	1.2
112.07605	7.4
113.06010	1.9
116.07114	1.3
116.98643	2.2
119.04960	1.4
119.08546	1.5
121.06526	8.3
122.05995	1.6
123.04418	1.6
124.07584	12.3
125.05966	7.4
127.03909	6.9
130.08669	1.1
131.04942	1.2
133.04938	1.5
134.99638	1.9
135.08017	1.4
136.07567	2.6
137.05972	92.8
138.06337	1.3
139.07567	1.0
140.07079	1.8
142.08626	100.0
143.08948	1.2
145.04958	3.4
146.99649	2.0
149.05998	3.4
151.04002	1.6
153.05444	2.0
154.08627	1.9
155.10808	1.0
158.99733	1.0
160.09715	2.7
162.09143	1.9
163.06219	1.1
163.07544	3.9
164.07082	1.2
165.09116	1.2
166.06264	3.8
166.08592	1.2
166.12276	1.1
167.07039	3.4
168.06378	1.0
169.04959	1.4
172.06046	1.2
175.07552	1.2
177.00699	2.1
177.05579	1.2
181.08592	60.5
199.09660	22.3
205.08615	1.9
208.09688	6.9
210.11240	15.6
216.15979	6.8
219.01883	1.3
223.09773	1.3
228.12341	4.9
237.02821	2.7
246.13379	2.7
256.11786	6.6
274.12833	3.2
289.10706	1.3
292.13824	1.8
300.10516	1.1
301.11859	1.1
319.10403	1.3
324.14355	1.7
324.21719	1.1
337.11627	3.2
342.15454	4.0
342.22769	2.2
360.16455	7.2
360.23853	2.4
361.13959	1.1
374.44543	1.1
378.11368	1.1
378.17114	1.9
378.21268	3.9
379.09702	1.4
379.14792	1.7
385.64474	1.1
399.09741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	2.2
56.96559	23.2
57.03428	5.8
59.09718	2.0
60.04527	3.4
67.05482	2.6
68.70667	2.0
69.03424	11.7
69.07064	3.7
69.75062	16.5
71.05003	3.1
72.08138	6.4
73.02900	8.4
73.57525	2.0
75.05587	2.5
76.07651	3.3
79.05490	2.4
81.03404	5.0
81.07044	2.1
82.06569	5.7
83.04956	3.2
84.04504	2.8
84.96015	5.7
85.02912	17.0
85.06521	2.8
85.07653	2.8
86.03228	2.9
86.71697	2.3
87.04433	4.0
91.05474	3.0
97.02875	9.8
98.97572	82.9
110.97582	4.9
115.03923	2.9
116.98616	97.4
118.66930	2.2
119.01881	2.5
119.04942	2.7
122.61343	2.5
124.07619	2.5
124.88853	2.2
127.03911	7.2
128.07045	4.1
128.98625	12.8
130.06459	2.6
131.00208	2.9
132.95842	2.9
134.99655	100.0
136.07581	3.7
137.05948	7.3
139.03954	2.4
140.07024	4.7
142.08592	14.7
143.00137	4.5
145.04958	3.5
146.99622	15.1
149.01189	5.2
152.06694	2.0
153.00684	27.3
157.07613	7.2
158.01237	8.0
158.99643	18.0
161.01225	15.8
161.02512	3.1
165.00681	4.3
170.99620	9.5
174.96858	7.1
175.02716	3.7
177.00694	52.1
179.02266	4.1
189.00632	7.7
190.08588	2.5
191.02223	3.2
193.04071	3.7
195.00000	2.8
195.01750	9.1
199.08072	3.6
200.02367	3.3
201.00729	7.7
206.44215	2.2
207.01839	2.7
213.00789	11.6
217.03786	8.3
217.07315	2.3
217.15428	5.2
219.01747	42.7
227.06799	2.5
234.99010	11.9
235.04778	11.9
237.02812	71.9
247.04921	2.5
255.03824	5.4
260.04492	3.9
261.02817	46.4
263.06607	2.7
265.06482	2.8
274.07010	3.3
279.03885	94.0
279.07361	10.2
293.05341	2.7
297.04935	4.6
302.05594	12.2
304.07919	4.4
304.13742	3.3
314.38107	2.4
319.12045	3.6
321.04871	25.5
321.08575	15.3
337.07733	2.2
370.10056	4.0
379.03433	4.1
379.08600	4.5
379.12790	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	1.6
56.96545	1.7
57.03419	1.1
60.04525	3.4
61.02909	1.5
64.56743	0.7
67.05489	1.9
69.03422	4.8
69.07034	1.4
69.88007	4.2
70.06598	1.2
71.04982	0.9
73.02882	0.9
77.03901	0.8
79.05473	2.4
81.03402	1.9
81.07040	1.7
85.02404	1.3
85.02893	10.7
85.06538	0.8
85.07661	1.0
91.03960	0.6
91.05475	7.8
93.07030	8.8
95.04951	2.4
95.08597	0.8
96.08129	0.9
97.02868	3.6
97.06533	0.9
98.06047	0.9
98.20727	0.9
99.04482	1.3
103.05455	6.1
105.06989	0.8
107.04942	1.5
107.08584	0.7
109.02891	1.3
109.06506	1.8
111.04446	0.9
111.08031	0.9
114.05461	0.7
119.04977	1.5
119.08528	1.0
120.05718	1.7
121.06503	14.1
123.04411	1.4
124.07636	1.0
125.05979	1.7
127.03884	2.1
131.04961	0.9
137.05956	3.1
138.06783	1.2
138.09125	0.8
139.07550	0.7
140.38965	0.7
142.08641	8.0
145.04935	1.4
145.06474	0.8
147.04405	1.8
148.05167	2.0
149.05960	4.2
151.03915	1.2
153.05449	1.3
153.09039	0.8
155.07001	0.8
165.09126	1.7
166.06291	7.6
167.07042	0.8
180.08670	1.8
181.08585	100.0
182.08923	2.8
184.07295	0.8
199.09653	46.6
200.09862	1.0
205.08640	1.6
210.11261	1.3
216.16002	1.0
289.10806	0.8
297.11685	0.9
321.18396	0.8
342.22739	1.9
360.23679	2.2
379.09909	1.4
379.14694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
54.75585	1.2
55.05503	14.9
55.31464	1.2
57.07072	13.9
65.03893	1.1
67.05164	2.1
67.05500	29.3
68.05828	1.4
69.03411	5.3
69.07063	36.8
71.04979	6.2
71.08623	1.4
71.13197	1.6
71.13517	2.1
72.25121	1.6
73.06518	1.2
73.47417	1.1
79.05481	16.4
81.07052	100.0
82.07404	2.7
83.04958	3.7
83.08614	14.1
85.02876	1.9
85.06538	60.5
86.06887	1.5
91.05450	7.9
92.05818	1.6
93.06460	2.9
93.07036	37.0
95.04962	5.3
95.08600	81.8
96.08912	1.5
97.02879	1.5
97.06520	4.0
97.10176	10.3
99.08074	14.4
105.07018	13.8
107.04955	3.5
107.08591	39.0
109.06510	3.2
109.10153	52.8
110.10488	1.6
111.08073	3.5
111.11707	7.7
113.06001	2.0
113.09631	5.6
117.07013	2.1
119.08566	14.9
121.06493	1.5
121.10136	55.6
122.10455	1.7
123.08086	2.7
123.11698	31.9
125.06020	2.1
125.09627	4.7
127.07533	3.7
127.11191	2.3
129.07094	1.2
131.08553	4.9
133.10120	14.0
135.08057	2.4
135.11699	26.6
137.05968	5.4
137.09642	1.8
137.13243	13.6
139.07524	1.7
139.11197	3.5
141.09142	1.6
143.14159	1.4
145.10153	6.6
147.04390	1.6
147.08054	1.5
147.11671	11.7
149.05975	1.9
149.09647	4.0
149.13251	20.5
151.03935	1.3
151.07520	1.6
151.11148	2.8
151.14803	3.6
153.09079	3.1
153.12715	3.2
157.10124	2.7
159.11674	7.8
161.06030	1.6
161.13226	7.8
163.07585	2.4
163.11180	7.9
163.14822	9.3
165.12805	1.6
165.16406	3.8
167.07051	2.1
167.10707	5.0
167.14279	1.6
169.99800	1.4
171.11638	1.9
173.13243	4.6
175.07591	1.6
175.11153	2.5
175.14819	6.2
177.12767	3.3
177.16385	5.7
178.09380	2.0
179.10814	1.3
179.17937	3.0
181.12234	13.1
187.14838	2.6
189.16397	5.9
191.17957	1.6
193.12230	2.9
195.13757	4.7
195.17513	1.5
197.19035	3.5
199.14943	2.3
201.16365	2.3
203.18042	2.5
205.15938	2.6
205.19571	2.2
209.15314	2.9
209.68593	1.2
213.16385	4.7
221.15259	1.7
223.16924	5.6
223.20560	5.7
229.19435	1.4
231.17407	2.4
235.16972	2.4
245.22600	9.4
249.18510	4.7
259.24271	3.9
263.23654	6.1
269.22644	8.4
277.25281	4.0
279.26730	6.3
281.24844	1.6
287.23660	21.2
297.27866	1.4
305.24713	53.1
306.25195	2.0
323.25790	25.9
341.26868	12.0
377.12762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01876	1.7
55.05506	9.7
57.03442	2.1
57.07069	13.0
67.05161	2.3
67.05499	25.3
69.03427	4.3
69.07063	16.3
71.04984	3.8
71.60213	1.1
71.60652	1.3
73.90556	1.1
79.05493	9.0
81.03438	1.8
81.07052	45.5
83.04975	3.1
83.08604	8.6
85.02892	1.9
85.06538	100.0
86.06868	1.6
88.80217	1.2
91.05469	4.9
93.07042	19.2
95.04950	2.5
95.08599	41.1
97.06538	3.0
97.10172	3.8
99.08091	3.2
100.11260	3.3
105.07018	8.3
106.07336	1.3
107.04954	3.6
107.08592	17.4
109.02829	1.9
109.06503	3.3
109.10142	24.3
111.08054	2.0
111.11708	3.4
119.08562	8.6
120.14077	1.1
121.06467	1.8
121.10136	21.1
123.04520	1.6
123.08064	2.1
123.11704	15.2
124.07549	1.5
125.05981	1.3
125.09644	4.3
125.13225	1.2
131.49176	1.4
133.06471	2.1
133.10120	6.5
135.08040	2.3
135.11702	10.7
137.05971	7.7
137.09607	1.5
137.13249	8.1
137.52324	1.4
139.07527	1.5
145.06464	1.5
145.10130	3.5
145.52701	1.2
147.11685	4.3
149.09607	3.7
149.13243	8.1
151.07558	2.6
151.11157	1.5
151.14825	4.2
153.09090	2.4
153.12727	1.9
157.10138	2.1
159.11719	3.6
161.05995	1.5
161.13266	3.6
163.07564	2.0
163.11230	2.7
163.14812	4.0
165.16368	1.3
167.07045	5.4
167.10670	2.9
168.07507	1.1
173.13245	1.8
175.07430	2.1
175.14879	2.8
177.09103	4.0
177.12646	1.5
177.16365	2.1
178.09447	2.5
179.09657	2.5
181.04936	1.2
181.08606	1.5
181.12270	5.2
182.15388	1.8
185.13191	1.2
187.14746	1.5
189.16368	3.1
194.08865	2.8
195.13841	1.6
197.08005	1.2
201.16399	1.6
203.18053	1.3
205.19591	3.7
210.14935	1.3
215.10681	1.3
223.20570	2.7
245.22641	4.8
263.23849	2.4
269.22583	3.3
279.26852	7.8
281.24817	1.7
287.23727	7.4
299.08994	1.4
305.24704	25.9
306.25131	1.7
323.25754	12.9
324.26208	1.7
341.26834	3.9
359.14972	1.5
359.27921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49783	3.1
55.05508	20.4
57.07064	11.0
65.03911	3.7
67.05498	27.9
69.03419	12.5
69.06717	4.7
69.07061	64.1
70.06556	3.6
71.04977	7.1
71.08627	5.1
71.61027	4.1
72.89841	2.8
79.05477	17.0
81.03407	6.4
81.07057	100.0
83.04964	5.0
83.08627	20.1
85.02879	6.9
85.06554	23.4
91.05459	11.8
93.07038	36.6
95.04963	10.1
95.08600	68.6
96.08965	3.5
97.06561	3.5
97.10151	10.3
99.04391	4.4
99.08073	3.5
105.07015	27.4
107.04922	5.1
107.08582	49.7
109.02861	6.0
109.06503	5.2
109.09464	4.5
109.10149	61.8
111.08059	6.4
111.11703	7.6
117.07045	4.4
119.08564	22.1
121.06503	5.8
121.10126	51.5
123.08076	7.3
123.11720	26.2
125.06024	4.2
125.09605	5.4
127.11200	4.9
131.08543	8.7
133.10130	18.5
135.07994	5.7
135.11668	19.4
136.07530	5.0
137.05931	9.4
137.09601	6.9
137.13255	22.1
139.11261	4.8
145.10115	9.3
147.08054	6.7
147.11671	12.5
149.09634	5.2
149.13269	15.3
151.07564	6.8
151.11165	8.8
155.14223	3.7
157.10071	6.5
159.11673	6.5
161.09575	10.2
161.13211	10.1
163.07498	5.3
163.11180	16.3
163.14867	6.5
165.09157	5.9
167.06996	5.6
167.10695	7.4
169.12181	3.2
175.07516	3.8
175.11137	5.4
175.14832	9.3
177.16377	5.5
179.07001	6.1
179.10646	10.9
181.12218	25.2
193.12274	5.7
205.15979	3.3
235.16965	4.1
245.22752	3.3
249.18501	4.0
263.23843	4.2
269.22607	7.5
279.26804	4.7
280.96350	3.1
281.12897	3.6
287.23584	15.0
305.24719	48.2
306.25043	3.4
323.25797	32.4
341.26859	6.2
377.09689	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	377.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.0
55.80253	2.6
57.03444	4.0
57.07070	7.9
59.04998	3.1
67.05495	25.2
69.03429	8.5
69.07066	49.8
71.05013	5.2
71.61070	3.8
79.05492	16.7
81.03420	4.5
81.07056	100.0
82.07389	3.8
83.04986	5.0
83.08620	12.0
84.96024	2.6
85.02873	4.4
85.06534	21.3
91.05497	12.9
93.07039	34.4
95.04947	6.2
95.08603	66.6
97.06537	6.3
97.10178	8.5
99.08076	4.4
99.34714	2.4
100.16264	2.9
105.07022	16.6
107.04906	2.7
107.08585	34.5
108.08882	2.4
109.02904	4.7
109.06500	7.3
109.10162	48.7
111.04431	2.6
111.08101	3.6
111.11718	7.9
113.09602	3.5
113.44887	2.8
117.06981	4.1
119.08578	22.7
121.06525	8.8
121.10149	37.9
123.11694	31.1
125.05993	7.2
125.09663	6.2
127.03995	3.3
127.11169	4.0
131.08566	9.6
133.10120	19.9
135.08051	5.6
135.11691	19.4
136.07568	5.7
137.06013	9.3
137.09694	4.9
137.13242	19.0
139.11226	3.2
143.08643	3.0
145.10107	6.6
147.07985	3.4
147.11694	11.8
149.09673	4.4
149.13258	16.3
151.07509	5.3
151.11186	5.7
153.09056	3.8
153.12758	8.1
155.14270	2.5
157.10158	3.7
159.11720	4.8
161.09627	9.5
161.13261	7.3
163.07605	5.7
163.11192	8.0
163.14844	7.3
165.09123	3.5
167.07082	3.4
167.10680	9.2
169.10167	2.7
173.13255	2.8
173.15410	5.8
175.07597	3.8
175.11143	3.1
175.14839	4.6
177.05489	2.6
177.12859	3.1
177.16347	3.5
179.07011	3.7
179.10728	10.3
181.12230	22.6
185.13167	3.0
187.11235	3.1
189.16409	5.2
191.18080	2.8
193.12311	3.3
199.14807	2.8
203.18121	2.7
213.16431	4.4
216.92017	2.6
223.20451	3.3
235.16974	3.1
245.22682	7.4
249.18605	4.3
250.81384	2.5
259.24136	3.1
263.23691	4.1
269.22595	6.0
277.24866	3.1
279.26788	4.5
287.23618	13.7
305.24771	47.6
319.75821	2.6
320.76993	2.6
323.25775	30.5
324.26071	4.3
341.26947	3.3
377.10226	3.5
377.15555	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	377.1745
Annotation	Cathafuran C
Peak:m/z	Relative Intensity
50.64325	1.1
61.88886	1.1
67.05503	9.5
69.07068	1.6
69.99604	5.8
74.22675	1.3
79.05450	1.2
81.07068	2.5
83.71149	1.2
90.15891	1.2
91.05457	1.9
93.07021	2.2
95.04955	6.8
95.08604	2.3
98.20858	1.8
103.05450	2.4
105.07025	2.2
107.04971	1.4
107.08536	1.4
115.05425	2.4
117.07004	4.2
119.08556	1.8
123.04424	8.3
129.06976	2.9
131.04922	4.3
131.08620	1.7
137.05972	4.8
141.06970	1.4
143.08531	1.9
145.06482	4.5
147.11737	1.7
149.05968	5.8
151.07568	2.1
155.97804	1.3
158.07188	1.6
159.08055	2.0
160.05266	1.4
161.05975	17.6
163.07491	5.8
169.10078	3.3
171.08124	2.0
173.05972	4.9
173.09441	1.3
174.06685	1.6
175.07542	6.2
177.09084	2.5
179.08508	1.5
180.05849	1.3
180.15625	1.2
181.06531	1.6
181.10181	1.8
183.08083	2.0
187.07524	3.9
189.09113	4.8
191.10721	1.5
195.07951	1.9
197.05952	1.7
197.09583	2.7
201.09113	5.8
203.10762	1.3
209.09584	4.0
211.07443	1.7
215.08740	1.8
215.10555	7.4
217.12212	3.1
225.09254	1.5
227.10628	6.0
228.09438	1.8
229.10132	2.6
229.12250	2.9
233.09564	1.8
241.10095	3.7
241.12297	3.2
243.08034	1.3
247.07500	5.1
255.08029	1.6
257.09592	4.1
260.08298	2.2
261.09073	12.0
263.07056	2.1
264.69885	1.4
267.13751	1.3
269.09506	6.9
270.10324	2.3
271.07574	2.3
273.09070	4.3
274.06241	6.5
274.09662	2.6
275.07275	3.0
275.10568	20.8
279.06625	3.4
279.10196	2.6
285.09155	6.4
285.12576	2.1
287.07196	3.0
287.10690	10.9
288.07803	2.4
288.11243	1.9
289.08533	11.1
289.11993	3.2
290.09369	2.5
291.10165	2.3
292.07288	27.6
293.07971	8.2
297.09103	3.7
298.09698	1.6
300.07751	2.6
301.08566	8.4
301.12079	3.4
302.09332	1.9
302.13010	3.7
303.10153	46.7
303.13425	2.9
304.10681	2.2
306.08994	3.0
307.09613	32.7
308.10358	8.5
312.11380	1.5
313.12067	3.2
313.15646	2.8
315.10269	14.6
315.13547	2.5
316.10873	2.2
317.11664	3.1
318.12473	26.0
319.09610	12.9
319.12885	2.9
321.11157	19.5
329.11569	3.9
330.12466	16.8
331.13181	12.0
331.16968	5.8
333.11276	9.4
334.11978	3.6
335.12817	3.6
336.13538	100.0
337.13858	4.6
341.15289	4.3
344.14459	1.7
348.09381	1.9
348.13565	38.5
349.14230	8.2
359.12009	2.2
359.16391	42.3
360.16971	1.5
377.17447	67.0
378.17789	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03923	1.8
55.01856	1.6
55.05488	0.6
57.03437	6.7
59.04976	0.8
61.02924	3.2
69.03076	0.8
69.03427	12.8
71.01334	1.8
71.04998	3.2
71.59879	0.8
73.02908	1.9
73.18388	0.5
75.04469	2.5
75.96038	0.6
81.03407	3.9
81.07063	3.9
85.02885	2.1
87.04452	0.9
91.05469	1.1
95.08538	0.9
97.02869	0.8
99.04437	4.6
102.59376	0.7
105.06957	0.6
109.02911	0.8
109.06492	2.1
111.04424	1.0
117.05458	0.9
123.04398	0.7
124.07585	2.5
125.07926	1.8
127.03939	0.7
129.06987	0.6
137.05975	21.9
137.07051	1.1
138.09132	2.1
139.09483	1.4
145.07619	1.2
157.06410	0.9
161.09647	1.3
167.07014	0.6
170.07080	0.9
172.08685	26.2
178.12234	1.2
179.10696	3.3
179.12502	0.9
190.09755	1.7
197.11751	12.2
197.13457	0.4
198.06587	5.1
200.08214	3.6
201.09120	0.6
214.14397	4.6
215.14717	9.0
216.07681	15.5
216.09679	1.1
218.09250	1.4
231.10268	0.8
243.08765	63.8
244.06998	0.8
244.09218	1.4
244.73759	0.6
359.13449	2.8
377.14545	100.0
378.14987	3.4
378.59781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1417
Annotation	Shermilamine D
Peak:m/z	Relative Intensity
53.80662	0.4
55.01843	0.4
55.98643	0.4
56.96562	2.5
57.03421	1.1
61.02922	0.6
69.03419	2.0
71.04976	0.4
71.30511	0.5
71.30853	0.7
72.09893	0.4
73.02911	1.1
80.50308	0.3
81.03396	0.9
81.07025	0.4
84.96028	0.5
85.02901	4.1
95.04971	0.6
95.64452	0.4
97.02871	1.4
98.97571	3.4
109.02869	0.8
113.06078	0.4
116.98592	2.6
119.01895	0.8
119.04886	0.4
123.04431	0.4
127.03922	1.1
128.98593	0.9
129.76486	0.4
134.99651	1.1
140.04736	2.1
146.99641	1.5
153.05569	0.4
155.07036	0.9
157.97964	0.4
158.99641	1.2
161.01276	0.6
170.08279	0.4
170.99677	0.7
173.02972	0.9
174.32877	0.4
175.04529	0.5
177.00719	2.0
181.04965	0.6
182.26616	0.4
189.00702	0.8
194.04430	0.5
199.06000	2.7
201.00861	0.5
215.05902	0.4
219.01765	1.2
229.03770	0.4
237.02823	4.3
245.10028	0.9
279.07544	1.6
305.10739	0.6
317.08859	3.7
335.10071	4.7
377.14163	100.0
378.14404	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
56.96548	2.7
57.03438	4.4
61.02909	4.0
69.03411	2.6
69.32236	0.9
70.02215	0.8
70.56820	3.4
71.60548	0.8
73.02911	9.1
81.03406	2.1
84.96041	1.7
85.02901	5.6
91.03911	0.9
97.02873	3.6
98.97565	3.3
110.97556	0.9
113.07150	1.2
115.03930	1.4
116.98640	2.3
119.01113	0.8
119.01906	3.1
127.03928	1.6
131.00127	1.4
131.01891	1.2
133.03482	1.2
133.05112	0.9
134.99599	0.9
143.00179	1.0
143.01894	1.0
145.03439	1.2
145.04990	1.0
149.01215	1.9
156.03581	3.3
157.03421	1.1
158.99675	1.2
161.01103	0.9
161.02998	2.1
173.02985	1.7
177.00638	1.0
185.02922	1.0
189.04207	1.0
191.02304	1.1
191.03900	1.2
201.00763	1.1
203.03932	1.1
213.02437	1.0
219.01671	1.4
220.56929	1.3
221.05017	1.3
228.05714	6.0
237.02783	2.5
237.06265	2.8
245.05087	1.2
249.57126	0.9
271.06607	1.9
277.07709	1.8
279.03784	2.4
280.07947	2.8
295.08685	1.4
296.09030	1.3
368.28110	1.1
377.08392	100.0
378.08771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01859	1.4
56.96324	1.1
56.96562	10.9
57.03415	2.9
57.54785	1.0
59.04994	1.5
60.04507	1.1
61.02906	3.3
67.05482	1.3
68.21143	1.1
69.03424	8.3
69.91124	2.6
69.91544	5.0
71.04977	1.4
73.02883	3.0
73.67729	1.2
74.06081	1.6
74.09698	2.6
81.03394	3.3
84.96014	2.7
85.02899	17.0
85.06525	1.1
86.09678	1.5
87.04463	1.3
95.04933	1.6
96.04478	1.2
97.02896	7.3
98.20815	1.9
98.97578	18.7
99.04423	2.6
107.04906	1.0
109.02864	2.8
110.97559	3.1
111.04391	1.3
112.07574	4.6
116.98606	18.9
119.01867	2.7
119.04979	1.9
124.07566	1.6
127.03907	4.0
128.02304	1.2
128.98627	5.2
130.08612	11.2
131.00127	2.5
131.06987	1.3
131.66183	1.2
134.99648	12.7
135.03098	2.6
137.05965	2.3
139.03197	1.1
140.07037	2.6
142.08635	7.3
143.00131	1.5
145.04933	3.4
146.99632	9.4
147.03117	1.9
147.04338	2.7
148.97353	1.2
149.01164	2.6
156.06546	1.4
158.01161	1.5
158.99646	4.5
161.01208	4.5
161.02962	5.3
163.02736	1.5
164.56598	1.5
165.00699	2.6
167.07011	1.8
170.99641	2.8
172.97331	2.2
173.57141	1.2
177.00713	6.7
179.02272	1.8
179.07036	1.6
182.99710	1.3
184.04594	1.3
184.09740	1.4
185.02870	1.2
189.00668	3.8
189.04092	2.7
191.02249	1.4
197.06398	1.2
198.04631	14.3
198.07523	1.6
198.54816	1.5
201.00668	7.3
203.03998	2.4
204.05344	1.5
207.01660	1.5
207.05162	2.0
209.55414	4.3
213.00711	2.7
215.10396	1.4
219.01738	21.9
232.99518	2.0
233.03262	2.3
237.02805	51.6
242.03394	1.3
245.04886	3.5
245.06752	3.6
245.58989	3.1
251.04330	2.1
255.03873	5.8
261.02722	11.5
270.06668	2.4
272.07178	2.1
272.57065	1.4
279.03860	49.1
287.07629	9.4
302.05325	5.0
309.08328	1.4
317.05136	1.9
317.08978	1.3
335.06729	1.5
345.04913	6.1
347.44495	1.1
353.09988	8.3
353.60022	1.4
368.10406	8.1
377.08301	100.0
377.14316	5.0
377.60989	1.4
378.08557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01857	4.0
55.05511	4.0
56.96294	6.2
56.96560	81.4
57.03432	17.8
61.02903	15.3
61.82796	3.0
65.73631	2.8
68.05013	3.4
68.49606	3.5
69.03419	32.4
69.49458	14.2
69.49891	13.7
70.06587	5.6
71.01317	4.5
71.04986	8.9
72.03857	3.1
72.08146	6.1
73.02914	25.8
74.97604	3.3
81.03398	17.6
81.07037	4.9
83.04958	4.9
83.06064	4.2
84.08142	4.9
84.96022	16.0
85.02908	54.3
87.04461	9.2
89.03901	6.0
95.04975	5.6
97.02885	31.9
98.06030	4.0
98.21508	6.0
98.97580	75.5
99.04461	3.6
105.07047	3.6
107.04929	5.0
107.08660	3.7
109.02847	10.4
110.97556	14.0
115.03950	4.4
116.98610	65.1
117.03293	4.0
119.01910	26.5
119.04901	7.0
119.07288	3.2
120.97979	3.5
121.01610	5.4
121.06480	10.2
127.03895	17.0
128.98625	26.4
130.08627	3.6
131.00166	18.3
131.01898	10.0
133.03429	12.6
134.99646	58.8
137.02936	8.2
137.05978	14.7
140.02255	4.7
143.00160	6.1
143.01909	5.0
145.01753	4.7
145.02657	6.2
145.03462	12.6
145.04971	11.1
146.99635	34.5
147.03181	5.1
147.04338	7.7
149.01213	14.9
149.02890	5.6
149.05960	4.6
152.02299	4.4
152.05673	3.9
153.00668	7.9
155.01828	6.6
156.02696	4.1
156.06482	4.6
157.03610	6.6
158.99609	33.5
159.04977	8.1
161.01218	17.4
161.02953	30.1
162.99124	8.4
163.02740	6.3
163.04407	3.8
165.00693	14.7
167.02238	6.5
167.07089	7.0
170.05133	4.1
170.99678	10.7
171.05022	6.6
173.01213	18.2
173.02942	18.5
175.02779	28.1
175.04494	9.2
177.00691	52.4
177.05435	16.2
179.02310	6.7
179.04225	3.4
185.01227	4.5
185.02835	8.2
185.06642	7.6
187.02893	6.3
187.04553	12.0
189.00682	18.5
189.04329	8.4
191.02286	25.3
191.03827	5.6
193.00241	6.4
193.03773	24.2
195.01709	7.9
197.01195	11.5
197.02991	6.0
197.06462	4.4
199.04532	4.9
201.00732	14.8
201.06006	9.3
203.02296	7.1
203.04008	17.4
205.00302	8.1
207.01764	7.9
207.05319	4.8
211.04568	6.0
215.02225	23.6
215.04012	4.6
215.07625	6.5
215.10278	11.0
217.03667	3.8
219.01740	59.2
220.01984	3.7
220.05984	5.6
221.05029	25.2
223.01230	8.1
227.07599	9.5
233.03191	8.3
233.05116	5.2
235.04958	4.0
237.02827	100.0
238.03307	6.3
239.07684	11.3
242.03226	4.4
243.01709	5.2
244.04575	3.5
244.07159	3.9
245.05064	19.6
247.06630	5.4
253.07588	4.3
255.03865	8.5
257.03180	5.2
259.06644	48.3
260.04288	5.2
261.02820	9.6
269.05527	5.7
271.06418	7.2
274.97278	5.0
275.09421	3.8
277.07730	4.7
279.03860	9.9
296.08350	4.1
297.06534	13.8
309.08582	20.6
317.05612	14.6
317.09286	6.4
333.08511	4.3
335.06256	42.9
341.03674	3.5
347.06436	5.2
351.09464	15.7
358.08304	4.9
359.04318	5.3
365.07404	7.0
368.10278	4.6
377.09106	15.4
377.13989	29.3
377.19257	7.1
403.30109	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	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05503	1.1
57.03433	2.0
61.02910	1.4
67.05504	0.9
69.03425	4.2
69.07069	1.8
71.04980	1.7
71.58298	0.6
73.02895	0.8
75.04476	0.6
76.35927	0.3
79.05479	0.8
79.39777	0.4
81.03417	1.8
81.07052	2.4
82.06575	0.8
83.04987	0.6
85.02900	6.2
91.05474	0.8
93.07045	0.7
94.06552	1.1
95.04946	0.6
95.08592	1.7
96.08112	1.0
96.08890	0.4
97.02881	2.4
97.06529	2.9
97.10140	0.5
99.04417	1.2
100.74813	0.4
105.07008	0.9
107.08556	0.6
108.08107	0.5
109.02871	1.1
109.06503	1.5
109.10135	0.9
110.09682	1.1
111.04438	0.6
116.98652	0.5
119.08587	0.5
120.08075	0.5
122.09668	2.1
123.08046	1.5
124.07587	23.5
125.05846	0.4
125.07944	0.6
126.08310	0.5
126.09077	1.8
127.03902	1.7
133.10149	0.9
135.10484	0.4
135.11646	0.6
136.11209	2.1
137.05969	14.1
137.09615	1.3
138.09132	19.4
138.10196	1.0
140.10709	2.7
145.04936	1.1
150.12773	8.9
152.10677	1.6
158.99635	0.4
160.11194	0.7
161.09592	1.1
167.07050	0.8
172.08670	1.5
178.12267	10.4
179.10664	4.1
182.79272	0.3
196.13300	7.7
197.11736	8.1
197.13480	0.8
200.08147	0.5
214.14375	100.0
215.14728	2.4
216.07771	0.6
243.08749	3.7
279.37582	0.4
292.15518	0.4
295.61505	0.4
364.41809	0.4
376.10031	1.1
376.15152	0.6
376.19690	6.5
377.10089	0.7
377.14481	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01862	1.1
55.05260	0.5
55.05507	6.2
57.03418	1.9
57.07060	0.7
57.73704	0.4
61.02927	2.2
67.05176	0.4
67.05501	5.6
69.03427	5.5
69.07071	8.9
70.06577	1.4
71.04976	1.3
71.60604	0.7
72.04531	0.4
73.02903	1.6
79.05489	2.7
81.03419	2.9
81.07053	14.1
83.04974	1.8
83.08618	7.1
84.04481	0.6
84.08141	0.9
85.02421	0.7
85.02903	13.0
85.06517	1.4
86.09689	1.1
87.04458	0.8
91.03942	0.6
91.05466	3.5
93.07030	5.0
95.04942	0.6
95.08599	19.7
96.08931	0.7
97.02893	4.3
97.06535	3.5
97.10168	3.0
98.09696	0.5
99.04445	1.3
99.08081	0.9
101.05994	0.6
105.07030	5.1
107.04979	0.7
107.08582	3.3
109.02869	1.9
109.06502	1.9
109.10156	2.1
111.08052	1.2
115.03886	0.6
115.07552	1.0
119.08582	7.5
120.08099	0.6
121.02880	0.7
121.10134	2.8
123.08043	3.1
127.03873	3.1
129.83502	0.4
131.04933	0.6
133.10114	4.9
135.11674	4.0
137.05923	2.7
137.09605	1.4
137.13235	4.3
138.06285	0.6
145.04939	1.5
151.03882	1.8
152.04280	0.9
161.05879	0.6
161.13246	12.2
162.13586	0.5
163.07495	1.0
167.07057	0.9
175.07562	0.6
179.06993	0.5
179.10690	0.9
179.14325	3.6
185.91499	0.5
196.16949	4.7
197.11809	0.6
214.18010	100.0
215.18391	4.5
256.19101	0.7
259.31281	0.5
340.21121	1.2
358.22238	1.8
376.08951	1.8
376.13443	0.7
376.23260	16.3
377.06516	1.4
377.23752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01866	1.1
57.03418	2.3
61.02926	3.9
68.31985	0.5
69.03432	6.5
69.88940	1.3
69.89357	1.9
70.06577	0.8
71.04995	1.1
73.02906	1.8
79.05486	0.9
81.03421	3.3
81.07047	0.7
83.04999	0.8
83.22138	0.5
84.04531	0.7
85.02901	24.6
91.03936	1.5
91.05455	0.8
91.43187	0.6
93.07036	0.7
95.04946	0.5
97.02888	6.7
98.97605	0.8
99.04450	1.4
107.04997	0.6
109.02881	1.9
110.06033	0.9
113.02341	0.7
116.07115	0.8
117.45454	0.5
118.28696	0.5
119.04947	0.6
122.03632	1.1
125.05925	0.5
127.03912	5.0
127.04733	0.7
137.05968	100.0
138.06313	1.6
138.09085	1.1
140.07104	0.7
140.78702	0.5
145.04950	5.6
146.06017	0.7
148.07449	0.5
151.07541	1.4
152.32707	0.4
155.83975	0.4
162.84799	0.6
166.08653	1.1
179.07030	36.6
179.10680	1.1
180.08658	1.5
180.58202	0.5
197.08096	6.9
211.22629	0.6
213.11143	0.7
214.10916	1.2
214.14337	2.0
233.97813	0.5
377.17963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.274
Annotation	oscr#24
Peak:m/z	Relative Intensity
52.84146	2.6
53.03947	2.2
55.01873	3.3
55.05511	19.1
57.07067	7.6
67.05495	23.0
69.03432	9.5
69.07060	38.0
69.87305	14.4
71.04990	10.1
71.08627	3.7
79.05489	13.5
81.07049	69.8
82.07353	2.9
83.04965	3.9
83.08618	26.3
85.02855	2.3
85.06536	15.3
91.05489	11.3
93.07036	42.6
95.04972	10.1
95.08601	63.6
97.06529	8.0
97.10165	9.2
98.20789	2.4
99.08086	5.1
103.03943	3.8
105.07010	20.4
107.08587	42.4
109.06511	19.2
109.10149	35.0
111.08100	10.4
111.11773	2.4
117.07005	3.0
119.08572	22.4
121.06511	7.9
121.10136	21.1
123.08070	5.2
123.11718	19.5
124.58966	2.2
125.05998	4.7
125.09626	3.0
127.07593	5.1
131.08563	5.4
133.10103	14.7
135.08049	25.8
135.11653	17.1
136.63611	2.3
137.05966	5.9
137.09598	28.3
137.13257	11.7
139.07512	2.6
143.07033	3.4
143.08519	3.2
145.10138	7.5
147.04385	2.1
147.11671	8.9
149.09665	5.8
149.13251	16.0
151.11230	3.3
153.09102	5.2
159.08038	3.7
159.11679	6.3
161.09650	9.6
161.13246	6.0
163.07538	7.2
163.11166	2.9
163.14803	4.3
165.09116	12.9
167.10654	2.7
167.14316	5.9
171.11659	4.1
173.09663	5.3
173.13310	7.8
175.11169	5.3
175.14877	8.1
177.09140	7.1
177.16423	10.9
179.10663	8.5
181.08556	2.5
183.10114	2.6
187.11163	3.8
187.14832	6.4
189.16309	3.1
191.10698	3.2
193.15883	8.5
195.10066	5.8
195.17479	4.3
197.11798	6.5
197.19032	2.3
205.15959	2.4
209.18976	3.4
219.21094	6.2
243.21152	7.0
247.16838	3.3
259.24338	2.7
261.22150	6.4
267.20935	3.0
275.23849	7.4
279.23221	7.1
285.22064	10.5
292.02417	2.4
293.75116	3.0
297.24136	2.3
303.23163	52.5
304.23502	3.4
316.29456	2.8
321.24197	100.0
322.24512	7.1
329.33786	2.2
339.25266	34.8
340.25485	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01879	4.5
55.05511	28.2
57.07078	8.5
60.11133	3.9
67.05502	44.9
69.03425	19.9
69.06716	6.4
69.07072	100.0
71.04982	8.8
71.53934	4.4
71.61118	4.3
79.05479	20.9
81.03429	8.3
81.07050	91.0
83.04987	5.3
83.08630	21.3
85.02916	6.3
85.06538	8.2
88.68362	3.7
91.05468	21.2
93.07053	49.4
95.04968	16.5
95.08601	82.0
97.02891	4.7
97.06539	11.2
97.10168	9.9
103.03934	5.8
103.05473	8.0
105.07043	30.4
107.04966	9.9
107.08586	65.0
109.02921	6.7
109.06518	13.6
109.10152	98.2
111.08076	7.5
111.11703	19.2
117.07056	8.0
119.08591	28.1
121.06520	7.1
121.10165	30.9
123.08086	7.4
123.11690	25.3
125.05995	5.3
125.09695	7.2
125.13364	3.9
127.03911	4.9
131.04947	11.3
131.08571	10.6
133.06477	6.3
133.10117	21.6
133.65584	3.9
135.08075	19.4
135.11678	23.6
137.05946	23.2
137.09642	28.0
137.13316	10.1
139.03918	6.6
143.07034	9.3
145.06638	5.0
145.10127	16.1
147.04355	5.4
147.11638	14.1
149.09639	14.7
149.13213	13.9
151.03943	9.1
151.11241	28.5
153.05608	4.6
153.09071	6.4
153.12767	33.0
157.10146	5.1
159.11746	10.2
161.06009	12.0
161.09650	12.3
161.13312	8.2
163.07556	16.3
163.11235	5.5
163.14763	6.1
165.09138	16.9
167.07031	26.6
167.10701	17.5
169.07433	4.0
171.13768	4.8
173.09616	5.1
175.07555	10.6
175.14813	8.2
177.00810	4.1
177.09125	31.1
177.16376	8.2
179.07060	4.9
179.10677	14.6
183.11803	6.2
191.10825	6.4
193.08580	15.5
193.15852	7.1
195.10149	9.9
201.16318	5.5
203.06944	4.7
219.21059	9.0
219.51012	4.1
243.21127	7.3
247.16937	4.4
252.56943	4.2
264.82437	4.3
277.25122	4.1
279.23151	5.7
285.22293	9.4
303.23184	31.7
321.24240	59.6
339.25272	14.4
357.13162	11.4
375.14453	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	375.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.05512	14.6
57.07068	8.5
59.04988	2.2
63.54464	2.4
67.05502	32.9
69.03422	13.9
69.07069	31.6
70.54573	3.9
70.54950	4.5
71.04992	5.3
79.05484	19.8
81.07051	100.0
83.04967	3.0
83.08611	5.4
85.06539	25.5
91.05483	10.5
93.07053	40.5
94.61001	2.3
95.04971	7.5
95.08603	68.4
97.06540	6.7
97.10155	5.5
99.06096	2.3
99.08089	5.1
103.05451	3.0
105.07031	31.3
107.08597	49.0
109.06529	9.7
109.10149	46.5
111.08067	5.0
111.11691	2.5
113.09660	2.2
113.90930	2.0
114.70334	2.2
117.06982	2.8
119.08578	27.9
121.06514	7.2
121.10143	43.6
123.08085	2.8
123.11703	43.9
125.05937	3.1
125.09620	7.7
126.48898	2.3
131.04909	2.8
131.08572	4.8
133.10110	18.4
135.08092	4.9
135.11693	32.7
135.12682	2.6
137.05963	20.5
137.09605	30.2
137.13255	13.6
139.11156	5.8
139.87437	2.5
145.10095	15.6
147.08057	7.3
147.11687	18.3
149.09608	6.2
149.13260	10.5
155.10686	3.4
157.10138	3.9
159.11700	8.5
159.56172	1.9
161.09616	14.7
161.13261	6.8
163.07576	6.2
163.11214	5.9
163.14818	4.4
165.09117	22.1
167.07053	10.8
167.10693	8.7
171.11743	2.3
172.72626	2.2
173.13287	9.1
175.07521	2.9
175.11177	11.1
175.14841	7.1
177.09134	8.2
177.12741	4.0
177.16360	10.8
179.10709	5.3
181.12242	4.5
183.10271	3.0
184.10750	2.2
187.14871	4.0
189.12823	2.7
189.16393	5.8
193.08574	3.6
193.12209	10.2
201.16272	4.3
203.18013	4.2
205.15878	3.1
211.13297	2.4
215.14322	3.7
219.17448	7.7
235.16876	3.2
243.21173	6.5
247.16971	3.8
257.22574	5.0
267.21048	9.8
277.25217	7.9
285.22171	13.8
291.23267	3.6
295.26193	3.3
303.23172	45.1
309.24231	7.6
321.24219	89.5
322.24713	4.7
339.25323	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2739
Annotation	ascr#24
Peak:m/z	Relative Intensity
53.03933	4.8
55.01854	4.7
55.05508	20.5
56.96555	4.1
57.03433	4.2
57.07072	9.5
64.63132	2.3
67.05503	25.0
67.36609	2.3
67.94496	2.1
69.03428	14.0
69.06716	3.1
69.07069	43.0
71.04993	7.6
71.08613	5.4
71.69998	2.1
79.05478	15.8
81.03422	3.8
81.07059	69.7
83.04980	4.5
83.08614	23.0
85.02895	6.6
85.06532	13.8
85.10154	3.1
86.09725	2.6
91.05476	16.0
91.73558	2.3
93.07046	40.1
93.10729	2.4
95.04955	13.9
95.08611	56.2
97.06541	11.1
97.10163	9.6
98.20740	7.4
98.97575	2.7
99.08073	4.3
103.03934	4.4
105.07017	16.2
107.04971	4.5
107.08589	37.5
109.02834	2.3
109.06504	17.5
109.10145	43.9
111.08092	7.8
111.11739	3.8
115.05473	2.1
115.71383	2.1
116.98610	3.2
117.07030	4.7
119.08572	26.1
121.06492	11.9
121.10140	23.8
123.04422	2.3
123.08076	7.2
123.11713	19.8
125.06044	6.5
125.09643	5.3
127.03947	3.4
127.07565	5.3
129.07068	2.6
131.08543	9.4
133.10147	18.9
135.08040	16.2
135.11676	15.5
137.05971	10.0
137.09610	28.2
137.13229	15.5
142.07497	2.2
143.08556	2.7
145.10120	9.4
147.08081	3.9
147.11697	13.5
149.06059	2.5
149.09622	8.6
149.13272	14.3
151.07545	4.8
151.11186	7.7
153.09120	4.4
153.12854	2.6
155.07042	3.0
155.08569	2.7
157.10101	4.4
159.08044	7.2
159.11719	10.2
161.09587	8.8
161.13226	6.5
163.07555	8.1
163.11259	4.7
163.14815	8.8
165.09151	13.6
165.16505	3.0
167.07027	7.6
167.10675	4.5
167.14397	4.9
169.10339	2.6
173.09561	4.6
173.13251	5.1
175.07549	4.6
175.11256	5.9
175.14828	6.8
177.09109	8.0
177.16409	8.0
179.10699	8.5
181.12257	3.2
183.10204	3.0
187.14821	5.3
189.16306	4.2
191.10704	4.7
191.14331	3.5
191.17900	2.5
193.12250	4.2
193.15907	5.9
195.10167	7.1
195.17477	3.1
197.11728	3.7
201.16365	3.1
203.17880	3.7
215.14352	3.6
219.21083	5.5
243.21123	7.6
244.80635	2.9
257.22665	3.7
259.24191	3.4
261.22205	6.8
275.23642	5.5
277.25430	4.2
279.23154	8.6
285.22211	8.5
295.26453	3.6
297.24237	2.9
303.23175	49.3
321.24249	100.0
322.24518	2.9
325.10944	3.3
339.25360	37.9
375.21625	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	375.2376
Annotation	Platanionoside J
Peak:m/z	Relative Intensity
50.40254	0.8
50.68671	0.9
53.03937	2.3
55.01860	5.4
55.05256	1.5
55.05506	20.0
57.03439	7.7
57.07077	5.6
59.04990	3.8
61.02930	9.7
67.05491	9.5
69.03426	29.2
69.07062	41.7
70.07378	1.4
70.69528	3.6
71.01332	0.9
71.04977	9.5
71.08595	1.4
73.02888	5.1
73.05068	0.9
73.06550	1.2
79.05488	5.0
81.03416	12.7
81.07050	30.0
82.07410	1.2
83.01312	1.3
83.04975	9.7
83.08618	9.6
85.02898	82.4
85.06535	23.2
87.04461	6.6
91.03939	4.0
91.05473	4.1
93.07040	15.4
95.04975	3.0
95.08601	46.0
96.08884	1.4
97.02888	27.4
97.06506	6.0
97.10161	10.9
98.21416	1.0
99.04457	5.4
99.08088	23.7
103.05447	1.6
105.07052	4.6
106.23134	0.9
107.04958	1.3
107.08584	27.5
109.02869	9.8
109.06590	1.3
109.10144	17.8
111.08059	4.0
111.11713	5.7
113.09625	8.3
117.18485	1.0
119.08511	2.5
121.06464	1.9
121.10136	35.5
122.10467	1.4
123.08061	1.6
123.11704	11.4
125.09615	10.8
125.13263	1.9
127.03893	19.2
127.11165	3.5
131.04935	1.3
133.06544	1.0
133.10115	3.0
135.11694	20.0
137.05968	10.8
137.09610	1.2
137.13249	19.8
139.11176	11.0
141.07016	1.3
141.12758	1.1
143.95811	0.9
145.04950	13.5
147.11674	1.3
149.09590	0.9
149.13272	5.0
151.03896	2.0
151.07561	1.0
151.11153	1.4
151.14824	4.5
153.12724	13.6
161.05956	1.3
161.09575	1.1
161.13264	1.1
163.07555	3.1
167.07030	6.9
171.08017	1.9
171.13826	1.2
175.07489	2.1
175.14847	1.3
177.09132	3.2
177.16370	100.0
178.16707	4.9
179.07079	1.1
179.59822	0.9
181.06400	1.2
193.08516	1.3
195.17427	45.3
196.17799	2.3
213.05438	6.2
213.08998	1.7
213.18475	66.2
214.18852	3.1
219.17307	1.4
237.18562	1.5
248.85869	1.0
298.26920	1.1
302.46451	1.1
303.23108	1.5
321.24167	1.8
339.25333	1.4
357.22675	1.1
372.43677	1.2
375.14169	3.2
375.23740	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	375.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01866	7.3
55.05508	23.1
57.03412	4.9
57.07075	11.2
59.05006	6.4
67.05501	43.9
69.03416	18.8
69.07068	100.0
69.94324	22.2
71.04990	4.7
75.22998	3.3
79.05485	21.7
81.03444	3.3
81.07055	77.3
83.04984	5.4
83.08632	28.9
85.02902	7.2
85.06548	7.1
91.05474	18.5
93.07047	41.4
95.04984	10.5
95.08604	81.4
97.02895	3.9
97.06516	18.2
97.10182	4.5
101.05994	3.4
103.03959	5.8
103.05457	3.3
105.07025	30.5
107.04962	12.1
107.08586	80.2
108.08945	4.3
109.06513	8.5
109.10155	98.1
111.08077	8.4
111.11710	16.0
115.05534	4.8
117.06998	6.8
119.08578	24.4
121.06497	9.1
121.10131	29.0
123.04446	6.5
123.08068	11.8
123.11710	28.0
125.05997	6.1
125.09629	4.9
127.11191	5.6
131.04913	7.2
131.08562	12.0
133.06453	4.8
133.10135	21.6
134.54720	3.7
135.08055	21.5
135.11697	32.3
137.05980	20.3
137.09618	40.8
137.13248	13.5
139.07545	4.6
139.11108	4.0
143.07022	11.6
143.08517	4.4
145.10118	10.1
147.08047	4.8
147.11703	12.1
149.09605	19.1
149.13252	18.5
151.07542	7.3
151.11211	24.0
153.05540	4.5
153.09109	4.4
153.12749	49.9
155.06993	4.1
159.08086	7.2
159.11711	8.1
161.09648	9.6
161.13261	7.5
163.07596	9.7
163.11200	4.4
163.14815	8.2
165.09126	19.5
167.07025	28.2
167.10667	18.2
169.12265	9.2
171.13750	5.8
173.09731	5.3
173.13275	7.8
175.07565	13.4
175.11223	3.6
175.14780	9.1
177.05510	4.7
177.09111	39.5
177.16371	4.9
179.10678	14.5
189.12706	3.4
191.10678	6.1
193.08641	7.6
193.15938	7.3
195.10115	9.9
197.11797	5.8
203.06923	7.8
219.21140	5.6
237.22101	4.5
243.21080	8.5
257.22711	5.8
261.22220	5.6
275.23758	5.3
277.21643	4.5
277.25150	7.1
279.23392	7.9
283.09436	3.8
285.22247	9.6
293.58163	3.4
303.23199	53.2
321.24234	84.3
322.24802	5.9
339.25290	23.8
357.13409	9.2
375.14334	5.3
375.21655	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	375.2163
Annotation	Kadangustin K
Peak:m/z	Relative Intensity
55.05511	34.9
57.07055	4.7
62.11245	4.3
67.05501	34.8
69.07059	15.5
69.88501	31.6
71.04980	7.1
73.75758	4.4
74.48859	4.4
79.05487	24.6
79.35345	5.0
81.07057	46.3
83.04984	5.2
83.08601	8.9
84.06217	4.5
91.05463	14.3
93.07055	22.7
95.04965	6.2
95.08603	25.2
97.10139	8.6
98.21502	5.9
103.05482	8.0
103.79472	4.6
105.07027	8.2
107.08580	14.3
109.06495	6.3
115.05481	4.4
117.07001	13.1
119.08590	16.5
121.10168	8.2
123.04446	27.2
123.08026	8.4
125.09668	6.1
129.86583	4.3
131.04913	15.9
131.08560	8.1
133.06277	4.6
133.10085	8.5
135.11699	8.6
137.06017	8.2
141.06958	12.0
143.04903	6.1
143.08583	6.7
145.06487	25.0
145.10112	5.5
147.11647	7.9
149.05977	23.1
153.07048	7.7
155.08601	23.3
157.06465	11.4
161.05978	26.1
163.03941	7.3
163.07581	27.8
165.07004	9.3
167.08556	25.4
169.06451	9.4
169.10123	9.4
171.08078	10.4
173.05971	100.0
175.07533	23.1
177.05447	6.6
179.08563	21.3
181.06444	16.7
181.10141	5.8
181.12262	7.5
183.08069	29.8
185.09669	7.9
187.07533	62.3
195.08063	57.1
197.09622	62.6
199.07472	27.1
200.08157	6.4
201.09084	31.6
211.07512	6.4
213.09094	44.2
215.10632	19.5
223.11089	5.4
227.10855	6.2
229.12059	5.5
237.16486	8.9
239.10693	5.4
281.15286	7.0
289.15561	6.8
299.16385	86.3
307.16901	55.1
319.18973	5.4
325.17938	74.5
331.18951	19.0
334.11841	9.5
339.19324	7.6
343.19016	45.6
357.20541	51.7
357.24503	6.6
375.21466	37.8
375.25287	6.0
396.59918	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	375.1799
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
50.97021	0.3
52.03172	0.3
53.03949	0.8
55.01871	1.4
55.05511	2.0
57.03435	0.6
57.07074	0.6
61.02914	0.8
63.00292	0.3
65.03924	0.5
66.04696	0.4
67.05495	2.0
69.03429	1.6
69.07064	2.6
70.23662	1.4
71.04985	1.8
72.11609	0.3
73.02937	0.6
76.12178	0.3
77.03920	0.4
78.04715	1.4
79.05486	5.4
81.03416	0.8
81.07053	5.4
83.04964	0.7
83.08592	1.7
85.02897	3.1
85.06541	2.2
87.04478	0.4
91.05479	5.3
93.03381	0.3
93.07039	4.6
94.04190	3.1
95.04958	2.6
95.08601	6.6
97.02876	0.9
97.06522	1.7
97.10154	1.7
97.71021	0.3
98.21452	0.3
99.04440	0.3
99.08082	3.3
101.06016	0.3
103.04778	0.5
103.05460	10.0
104.06261	0.3
105.07026	7.0
106.04163	0.8
107.04952	5.9
107.08583	6.9
109.02850	0.7
109.06512	2.3
109.10153	3.8
111.04442	0.3
111.08073	1.3
111.11736	0.5
115.05440	2.1
116.98569	0.3
117.07012	2.1
118.04156	0.4
119.04919	2.0
119.08577	1.5
120.05723	0.3
121.06497	2.1
121.10133	8.9
122.03640	9.8
123.04435	4.1
123.08036	1.8
123.11717	0.9
124.05231	2.1
124.07670	0.4
125.05958	0.9
125.09644	1.5
127.03906	0.7
127.11150	0.6
128.06213	1.0
129.07010	0.9
131.04919	14.2
131.08575	0.7
132.05658	0.5
133.06482	5.8
133.10114	0.6
134.03630	0.3
134.06744	0.3
135.04417	0.5
135.08046	5.2
135.11659	2.8
136.05202	0.5
137.05963	100.0
137.13240	1.2
138.06294	2.8
139.07559	0.3
139.11154	0.4
140.02435	0.3
141.07008	0.6
143.04892	1.1
143.05962	0.4
143.08548	1.0
144.05711	0.7
145.06471	2.1
145.10167	0.3
147.04393	1.3
147.08015	1.9
147.11736	0.6
149.05966	1.6
149.09598	0.4
149.13263	0.9
151.03973	1.7
151.05034	0.4
151.07530	10.3
152.04681	1.6
152.07957	0.3
153.05511	1.0
153.12720	0.3
157.06490	0.7
158.07260	0.6
159.08083	0.4
159.11743	0.3
160.05196	1.1
161.05959	5.1
161.13223	0.4
162.06659	0.9
163.07533	35.0
163.14519	0.3
164.07860	1.2
165.05634	0.6
165.06882	0.4
165.09109	1.0
167.07030	48.9
168.07353	1.6
169.06451	0.3
171.08044	1.0
171.10196	0.3
171.13773	2.0
172.05228	0.5
173.05940	0.5
174.06790	0.9
175.07521	5.7
175.14769	0.5
176.08006	0.4
177.09091	19.2
177.16370	16.9
177.17967	0.3
178.06273	0.3
178.09483	1.0
179.07016	1.8
179.10683	0.5
180.07593	0.3
181.08609	1.1
187.07480	2.1
188.08354	0.3
189.09076	1.5
190.07890	0.4
191.07013	1.0
191.11015	0.3
192.07632	0.4
193.06808	0.7
193.08586	12.1
194.07288	0.4
194.08968	0.5
195.06499	0.4
195.08237	0.6
195.10175	1.2
195.13800	1.1
195.17429	3.6
201.09084	0.8
203.07022	1.0
203.10715	1.2
205.08601	0.8
205.10228	0.6
207.06418	0.3
207.10110	1.1
213.14865	6.6
213.18423	5.4
215.08615	0.3
219.08345	0.4
219.10097	1.7
221.11682	1.9
222.06520	0.4
223.07484	0.6
232.08971	0.4
233.09572	1.5
233.11768	0.9
235.07538	0.4
237.14888	0.4
239.07164	0.3
251.07005	0.5
253.08548	0.6
255.10172	0.5
261.09103	1.0
265.08585	0.6
265.12192	0.9
266.09137	0.4
268.07233	0.5
271.05930	0.7
275.10669	0.4
283.09601	0.8
285.11050	0.3
293.11676	1.7
295.09479	0.4
297.10950	0.4
303.23203	1.0
307.10196	0.5
315.12061	1.4
321.24246	0.9
325.10727	0.6
325.14282	3.4
326.14871	0.3
329.06024	0.3
339.25211	0.9
357.13193	2.4
357.17020	3.2
375.14374	1.1
375.18500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01862	0.7
55.05506	1.4
56.96540	0.4
57.03413	0.5
67.05501	2.1
69.03411	1.4
69.07069	2.6
71.04964	1.1
71.63097	0.6
78.04697	0.7
79.05482	3.8
81.03405	0.6
81.07050	4.6
83.04960	0.7
83.08633	0.6
85.02901	1.1
85.06524	1.4
91.05453	3.1
93.07047	3.4
95.04939	1.2
95.08604	3.6
97.02867	0.6
97.06493	0.7
103.05448	1.3
104.06253	0.7
105.07031	9.2
107.04929	1.6
107.08599	2.9
108.05797	0.4
109.06504	0.6
109.10143	3.1
111.04414	0.5
111.08082	0.5
115.05440	2.4
115.74217	0.4
117.07008	3.3
119.04915	1.6
119.08546	1.3
121.02867	0.4
121.06498	2.5
121.10134	2.5
122.15359	0.4
123.04414	1.6
123.08065	3.5
123.11678	1.7
125.05979	0.6
127.03795	0.6
128.06204	0.9
131.04893	1.8
131.08531	0.8
132.05722	0.7
133.06482	8.8
133.10118	1.1
134.07259	0.6
135.08040	1.9
135.11700	1.1
137.05946	3.8
137.09621	1.2
139.11174	0.5
143.08533	1.3
145.06506	0.6
145.10083	0.6
147.04457	0.6
147.11650	1.3
149.05890	1.2
149.09642	1.3
150.39853	0.5
151.03867	0.7
151.07535	9.7
152.04654	0.7
153.05464	0.7
159.11699	0.8
160.05170	1.5
161.05974	8.1
161.09599	0.8
161.13229	0.6
162.06769	2.2
163.07497	1.2
165.05479	0.5
165.09119	1.0
167.07030	16.4
171.08032	1.0
175.07576	3.3
175.14876	0.6
177.09094	100.0
178.09416	3.4
179.10657	0.7
189.09105	0.7
191.07024	1.2
193.08597	41.5
194.08946	1.0
195.10164	6.4
203.07025	0.6
203.10626	1.1
205.08630	0.5
221.11720	9.3
283.09598	0.5
285.22034	0.9
303.23148	1.6
321.24106	2.8
325.10837	0.6
329.13657	1.0
357.13205	1.2
375.14374	1.3
375.19382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01870	1.0
55.05484	0.8
56.96566	0.6
57.07055	0.6
65.03925	0.8
67.05489	2.2
69.03416	1.8
69.07048	1.4
71.04983	0.7
71.10777	1.5
71.57864	0.5
78.04704	0.7
79.05490	4.1
81.03410	2.4
81.06635	0.4
81.07058	3.3
83.04977	1.1
83.08601	0.8
85.02892	2.4
85.06533	1.2
86.09695	0.7
91.05477	3.7
93.07032	3.7
95.00130	0.6
95.04945	1.8
95.08591	2.7
97.02857	0.9
97.06543	0.9
99.08078	0.8
103.05453	1.9
105.07020	10.1
107.04947	2.6
107.08603	2.7
108.05748	0.7
109.02847	0.9
109.06516	1.6
109.10157	2.5
110.10468	0.6
111.04413	0.9
111.08089	0.5
115.05455	3.1
117.07003	4.0
119.04911	1.9
119.08562	2.1
121.06472	2.1
121.10129	2.1
122.03561	0.6
123.04409	2.1
123.08044	2.7
123.11673	1.0
124.05181	1.0
125.05995	1.1
128.06187	1.1
129.06981	1.1
131.04912	1.9
131.08527	0.7
132.05685	0.6
133.06468	9.5
133.10112	1.0
134.07268	0.7
135.04424	0.7
135.08044	2.5
135.11696	1.7
137.05975	11.6
137.09615	1.2
143.08539	1.4
145.04964	0.5
145.06471	1.4
145.10077	0.9
147.04312	0.7
147.08011	0.7
147.11674	1.0
149.05995	1.2
149.09624	1.1
149.13255	0.7
151.03914	5.6
151.07518	11.6
153.05446	0.8
157.06369	0.6
160.05150	0.9
161.05960	12.5
162.06749	2.6
163.07498	3.0
165.09030	1.0
167.07027	18.4
168.07326	0.7
171.08020	1.5
175.07547	5.0
175.14804	0.6
176.15211	0.5
177.09096	100.0
177.16423	1.0
178.06227	1.0
178.09460	3.1
179.07063	0.9
179.10675	0.7
181.04945	1.0
181.08601	0.6
183.29007	0.6
188.04568	0.8
189.09077	0.9
191.06937	1.0
193.08591	41.2
194.08897	1.3
195.06425	0.6
195.08099	1.9
195.10164	6.5
195.13855	0.7
197.05792	0.5
197.11794	0.8
203.06955	2.8
203.10683	1.1
205.08560	1.7
209.05913	0.6
211.07484	1.0
211.16946	1.5
212.17303	1.4
213.15010	0.6
213.17549	0.9
215.14313	0.5
221.08157	0.8
221.11716	8.2
223.07481	1.6
225.05608	0.7
227.10750	0.7
237.09093	0.9
239.07065	0.7
240.07797	1.2
249.05396	0.7
249.09323	0.5
251.07072	0.8
253.08571	0.7
253.97705	0.5
255.10165	1.5
265.08636	1.2
269.07910	0.8
281.08197	0.6
283.09708	3.0
285.11157	0.5
285.14676	0.6
293.07986	0.8
295.09583	0.6
297.11102	1.1
307.09610	0.6
313.10629	2.1
315.12204	1.6
325.10672	1.7
326.43738	0.6
327.12204	0.8
329.13812	0.7
339.12198	0.7
343.11700	0.8
357.13254	6.7
357.16919	0.7
375.14352	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	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05497	0.7
57.07086	0.5
67.05492	2.1
69.03415	2.2
69.07063	1.9
69.33537	6.2
70.00948	0.5
71.04975	1.0
79.05502	4.0
79.33698	0.5
81.03408	1.5
81.07053	3.5
83.05000	0.6
83.07699	0.6
83.08620	0.5
85.02892	2.3
85.06553	0.6
91.05484	5.0
93.07041	3.2
95.04955	2.4
95.08605	3.1
97.02885	0.7
97.06509	1.0
103.05434	1.9
105.07024	9.2
106.07347	0.5
107.04964	2.9
107.08583	3.2
109.02876	0.9
109.06513	1.4
109.10139	2.4
111.08021	0.8
115.05443	2.2
117.07035	2.9
118.04100	0.6
119.04931	1.3
119.08563	1.8
121.06507	3.2
121.10107	1.5
122.03648	0.7
123.04404	1.2
123.08060	2.2
123.11674	1.5
127.03904	0.9
128.06230	0.6
129.07033	1.1
131.04915	1.7
131.08578	0.8
132.05736	0.8
133.06490	9.5
133.10101	1.2
135.08063	1.7
135.11668	1.7
137.05980	8.3
137.09598	0.8
139.07442	0.6
139.11116	0.7
141.07022	0.6
143.04913	0.6
143.06065	0.6
143.08575	1.0
145.06482	0.9
149.05980	1.2
149.09612	0.9
151.03905	3.1
151.07529	10.5
151.11211	0.6
159.11700	0.6
160.05185	0.6
161.05978	9.5
162.06744	2.7
163.07541	2.7
165.05551	0.5
165.09122	0.5
167.07042	16.4
168.07443	0.6
171.08029	1.3
175.07559	3.8
175.10941	0.5
177.09102	100.0
177.16344	1.2
178.06314	0.6
178.09457	3.7
179.07089	1.0
181.04973	0.9
191.07001	0.9
193.08603	41.3
194.09003	0.7
195.06416	0.7
195.08438	1.0
195.10158	6.6
202.05049	0.8
203.07074	0.7
203.10672	1.4
205.08481	1.0
211.16937	1.4
212.17279	0.9
213.17577	1.7
221.11678	7.2
222.06686	0.6
222.12077	0.6
223.07523	0.7
234.07843	1.1
235.54337	0.5
240.07716	0.6
240.93280	0.6
253.08693	0.7
265.08676	0.8
283.09692	1.2
297.11163	1.1
298.08282	0.6
313.10706	1.5
315.12338	1.2
321.24240	0.8
325.10672	0.8
327.12076	0.9
329.13696	1.1
339.12332	0.8
357.13382	4.5
375.14435	2.7
379.52750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03937	0.8
55.01863	1.5
55.05501	1.0
65.03949	1.0
67.05492	1.5
69.03407	1.7
69.07066	0.7
70.06577	3.5
71.04974	1.3
71.62845	1.2
72.45766	0.6
78.04698	1.5
79.05494	4.4
81.03397	2.5
81.07063	3.2
83.08621	0.7
85.02892	3.1
85.06545	0.8
86.09689	1.6
91.05471	6.3
91.17408	0.6
93.07034	3.6
94.04173	2.5
95.04964	2.0
95.08596	2.1
97.02905	0.7
97.06490	0.7
100.11224	0.7
103.05462	9.9
105.03384	1.0
105.07027	7.4
107.04951	6.1
107.08582	1.6
109.02889	1.4
109.06499	2.3
109.10137	1.8
111.04462	1.2
111.08128	0.9
115.05421	3.3
117.07014	3.1
119.04953	3.0
119.08578	1.5
120.08113	0.7
121.02859	4.9
121.06483	1.9
121.10122	1.2
122.03660	7.2
123.04475	3.0
123.08089	1.7
124.05197	2.5
124.07584	0.7
125.05986	1.1
127.03893	1.4
128.06252	1.0
129.07008	1.2
131.04924	14.0
131.08569	0.7
133.02766	0.8
133.06490	7.3
133.10074	1.5
135.08051	4.5
137.05971	100.0
138.06313	2.2
141.06915	0.6
143.04913	2.0
143.08566	0.7
144.05690	1.2
145.02890	1.4
145.06491	3.1
147.04405	1.5
147.08078	1.2
149.05936	1.7
151.03952	6.6
151.05054	0.8
151.07536	9.8
152.04668	1.1
157.06503	2.1
158.07236	0.7
159.04420	0.9
159.08044	0.8
160.05157	1.1
160.41972	0.6
161.05997	4.2
161.09630	0.6
162.06721	0.8
163.07538	32.5
164.07889	1.3
165.09061	1.5
167.07036	48.4
168.07433	1.3
168.70763	0.6
173.06038	0.8
175.07549	5.5
177.09100	17.0
179.07108	1.6
181.08609	1.8
187.07550	2.6
189.09071	2.0
191.07063	1.3
193.08583	9.3
195.10178	2.3
195.15724	0.7
201.01811	0.6
201.05533	3.3
201.09019	0.8
203.06996	1.9
203.08792	0.8
203.10677	1.5
205.08531	1.0
207.10086	0.8
213.16660	0.9
214.17891	1.0
219.06531	1.1
219.10260	1.1
221.11710	1.4
229.04922	4.0
233.09637	1.5
233.11841	1.0
245.44054	0.7
247.02434	1.1
247.05803	0.8
255.89610	0.7
257.04440	2.4
261.09113	1.1
266.57932	0.6
274.62338	0.7
275.05377	0.9
276.94418	0.8
293.11697	2.5
305.08221	0.7
307.06155	0.9
317.07993	1.1
318.08670	1.0
319.09525	1.3
321.11362	0.9
325.14279	4.0
327.12128	0.6
333.07510	0.9
339.12555	1.0
346.08328	1.3
347.09143	11.5
348.09402	1.6
357.17059	2.8
375.08627	48.7
375.22141	1.6
376.09036	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	375.1648
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
56.96560	3.0
57.03428	3.5
61.02919	4.2
62.13471	0.9
63.15828	1.0
64.37659	1.0
67.05506	1.1
67.36156	1.1
69.03423	8.3
71.01341	1.1
71.04995	1.4
71.59040	1.9
73.02888	2.8
79.05485	6.5
81.03426	5.2
81.07057	1.9
83.04964	2.9
84.96087	1.0
85.02898	35.2
86.09706	1.1
87.04476	2.1
91.03964	1.4
91.05460	12.7
93.07037	10.2
95.04977	1.9
95.08612	1.4
97.02900	8.4
97.06534	1.1
98.97592	2.5
99.04439	1.4
105.07026	15.6
107.08587	41.9
109.02864	4.2
109.06532	2.2
109.10159	1.3
111.04431	1.7
116.98608	2.8
117.06966	1.5
119.04888	1.8
119.08568	22.4
121.10124	13.8
123.08108	2.0
127.03905	31.2
131.04930	1.5
131.08568	10.9
133.06506	1.3
133.10126	3.8
134.99673	2.3
135.08064	3.4
137.05968	8.4
141.01805	1.4
142.47769	1.0
145.04927	5.4
147.04401	1.9
147.08040	10.3
149.05983	1.3
149.09612	14.2
153.05443	2.0
159.08025	3.5
161.01208	2.3
161.06015	1.4
162.05379	1.0
163.03845	1.0
165.09094	10.9
167.07042	2.2
167.10674	6.0
175.07536	1.5
175.50859	1.0
177.00690	1.4
177.09093	12.3
179.07069	1.9
180.21713	1.3
195.10165	38.3
201.04004	1.6
203.07063	1.2
213.11197	100.0
221.03247	1.6
227.02171	1.4
237.02826	2.2
259.04755	1.5
375.12262	6.6
375.16937	5.5
379.05493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01855	1.0
55.05499	0.6
57.03418	1.5
61.02907	1.5
63.55062	0.4
67.05464	0.5
69.03422	4.2
69.07040	0.5
70.06562	0.3
71.04978	0.8
71.60030	0.5
73.02905	0.9
79.05495	1.9
81.03430	1.8
81.07053	0.8
82.55584	0.3
83.04977	0.9
84.08128	0.4
85.02902	13.2
86.09684	0.9
87.04419	0.6
91.03944	0.8
91.05478	8.9
93.07040	5.2
95.04929	1.0
95.08595	1.2
97.02888	3.8
98.97583	0.6
99.04443	0.6
103.03951	0.4
105.07025	8.2
107.08589	13.4
109.02859	1.6
109.06478	0.9
109.10137	0.5
116.06226	0.4
117.06992	0.7
119.05003	0.4
119.08573	25.0
120.08941	0.6
121.06497	0.9
121.10138	7.2
123.04462	0.3
123.08071	2.1
125.05922	0.6
125.09574	0.6
127.03921	2.6
129.05513	0.4
129.06935	0.4
131.04890	0.4
131.08560	8.1
133.06474	1.0
133.10118	2.7
134.99660	0.4
135.08043	2.5
137.05984	2.0
137.09590	1.5
139.03876	0.5
140.06984	0.5
145.02849	0.5
145.04941	1.4
147.08043	8.8
149.06049	0.4
149.09616	9.2
151.03825	0.5
151.07492	0.4
151.11162	0.4
153.05409	0.7
153.09082	0.5
159.08060	3.0
165.09106	10.7
167.07013	1.0
167.10663	3.6
176.03288	0.4
177.05408	0.9
177.09108	8.6
178.05811	0.6
179.06993	0.5
191.06996	0.5
191.42436	0.3
195.06470	0.7
195.10164	11.7
213.11203	100.0
214.11589	1.8
237.02698	0.5
254.14044	0.4
331.13525	1.0
375.12256	2.6
375.16315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.61963	0.3
55.01867	0.8
55.05501	0.5
56.96544	0.5
57.03421	0.9
61.02905	1.0
64.87204	0.3
67.05476	0.4
69.03415	4.8
69.07057	0.5
69.83812	1.4
70.06555	0.5
71.04965	0.8
72.08138	1.0
72.86180	0.3
72.91911	0.3
73.02905	1.0
79.05474	1.2
81.03410	2.9
81.07041	0.9
83.04977	0.4
84.08155	0.4
85.02897	8.3
86.09683	1.7
87.00831	1.7
91.03952	0.3
91.05446	2.7
91.06922	0.3
93.07046	2.5
95.04959	0.6
95.08600	0.4
97.02878	3.6
97.06522	0.5
98.97572	0.8
99.04464	1.5
103.05479	0.3
105.01851	0.9
105.07029	3.5
107.04974	0.8
107.08582	6.4
109.02883	2.8
109.06516	0.8
112.22424	0.3
116.66677	0.4
116.98628	0.7
117.01814	0.5
117.07046	0.6
119.01971	0.3
119.04939	0.5
119.07784	0.6
119.08572	8.7
121.06519	1.0
121.10140	2.4
123.08034	0.7
124.07594	0.5
127.03902	100.0
128.04222	1.9
131.04936	0.7
131.08563	4.2
133.06502	0.6
133.10121	1.0
134.99631	0.4
135.04349	0.4
135.08040	1.1
137.05957	7.6
145.02774	0.6
145.04961	1.8
147.04408	1.2
147.08031	4.4
149.01244	0.4
149.05974	0.7
149.09612	3.7
153.05438	0.7
155.06937	0.4
158.99759	0.3
159.02902	1.1
159.08066	1.0
161.01254	0.3
161.02794	0.3
161.06026	1.6
163.03931	0.7
165.05551	0.4
165.09084	3.7
167.07048	2.5
167.10651	1.6
175.07510	0.8
177.00735	0.7
177.05437	0.9
177.09085	3.8
178.05797	0.5
179.07027	0.4
181.04962	0.7
191.07031	0.5
195.04764	0.4
195.06549	0.8
195.10132	5.1
203.07076	1.1
213.11191	29.9
214.11601	0.6
219.01773	0.4
221.06177	0.4
221.08081	1.3
225.07262	0.4
231.05093	0.5
237.02771	0.7
240.85243	0.3
241.08495	0.4
257.04080	0.3
275.76178	0.3
278.05515	0.4
287.06006	0.9
331.13577	0.7
375.11877	1.6
375.16119	2.0
376.10452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03913	0.7
55.05494	1.6
56.96539	1.5
57.03423	2.3
59.04985	0.6
61.02911	1.6
69.03432	4.4
69.07050	1.4
70.06605	0.7
70.10007	1.4
70.10429	2.1
71.04974	1.1
72.08129	1.0
73.02893	2.4
79.05466	3.1
81.03391	1.9
81.07040	0.9
83.04972	1.1
84.96003	0.7
85.02899	12.9
85.06556	0.9
86.09681	1.8
87.04451	0.7
91.05466	7.3
93.07033	8.1
95.04959	1.7
97.02891	4.8
98.97561	2.3
105.07021	10.2
107.04946	2.1
107.08591	14.4
109.02866	1.6
109.06497	1.8
109.10138	1.6
111.04440	0.8
116.98581	1.8
117.06992	1.0
119.04907	1.4
119.08573	24.6
121.06468	2.0
121.10132	10.1
123.04452	1.0
123.08041	1.0
125.06010	0.9
127.03899	3.0
131.08569	11.5
133.02812	1.2
133.06467	5.0
133.10112	5.9
134.99637	0.7
135.04378	1.2
135.08058	4.2
137.05965	6.1
145.02829	1.2
145.04948	2.0
146.03125	1.9
146.99640	0.9
147.08070	5.9
149.05959	1.2
149.09608	15.4
151.07501	3.0
153.05440	1.4
153.09073	1.5
158.99690	1.0
159.08015	2.5
161.05983	1.6
163.03911	0.9
165.09103	6.4
166.08585	1.0
167.07086	1.4
167.10680	6.2
177.00606	0.9
177.05502	3.9
177.09096	20.3
178.05785	4.7
179.07008	1.1
181.05026	0.9
195.06549	3.4
195.08316	1.2
195.10146	21.7
196.06789	2.3
213.11191	100.0
214.11505	1.0
223.09059	1.9
234.59790	0.8
237.02753	1.4
331.13483	1.3
360.09528	2.5
374.65750	1.0
375.11847	5.4
375.16846	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	375.1589
Annotation	4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan
Peak:m/z	Relative Intensity
51.73372	0.9
55.05503	2.1
59.67527	0.9
67.05501	3.1
69.03395	1.1
69.07064	3.0
70.04946	5.6
78.57206	0.9
79.05463	1.8
81.07046	3.2
86.47795	1.1
91.05489	1.8
93.07044	2.1
95.08604	3.1
97.10232	1.0
98.21379	1.2
103.05481	1.4
105.07034	1.8
107.08587	1.4
110.73069	1.1
115.05442	1.4
117.07034	1.8
121.10147	1.8
123.04396	2.5
131.04903	2.7
131.08493	1.4
133.10202	1.0
133.35634	1.0
135.11699	1.0
136.05164	1.1
137.06000	1.4
141.06950	1.6
145.06485	4.1
145.10168	1.3
149.05977	2.4
157.06497	1.1
159.08031	2.0
161.05965	13.0
163.07573	5.5
165.07080	1.2
167.08598	2.9
171.08101	1.2
173.05969	4.1
175.07529	1.8
177.09053	2.7
187.07562	4.7
191.07133	1.1
195.08104	2.0
197.09735	1.6
199.07616	1.7
201.09113	4.8
203.07008	2.2
213.09137	5.3
215.08557	1.0
215.10622	1.8
221.22293	1.0
239.08527	3.3
241.10173	1.3
251.10655	1.4
253.10095	2.2
255.08124	1.2
257.09604	1.6
261.09222	1.4
267.08047	3.8
268.08810	1.8
268.12363	1.5
269.09589	2.3
271.07578	4.7
272.08261	1.7
273.09140	2.0
273.61557	1.1
281.09567	2.7
282.10324	2.1
283.11221	4.7
283.14676	1.6
284.08243	2.7
285.09064	54.6
286.09601	6.6
289.08673	1.2
295.07599	3.0
295.10849	1.2
297.09317	1.4
297.18549	1.6
298.09900	1.3
299.07288	1.3
299.10614	4.7
300.07907	3.6
300.11481	14.2
301.08636	3.1
301.12201	5.2
309.09348	1.3
310.09851	2.4
311.10660	4.8
311.14297	5.4
313.08606	42.4
313.12057	3.9
314.09180	5.6
314.13013	4.5
315.10049	3.1
315.19547	3.4
317.08081	16.4
324.11490	1.7
325.12186	1.3
325.18033	2.8
327.10226	6.7
328.10938	31.8
329.11710	16.3
329.15424	28.3
330.15555	1.3
331.09631	6.6
332.10416	2.9
333.10995	1.3
334.11972	2.4
339.13760	11.4
342.12518	2.4
343.19043	10.5
345.11292	1.5
346.11960	100.0
347.12503	6.4
357.14825	58.0
358.15189	2.9
374.72845	2.1
375.12228	1.7
375.15927	43.1
375.20975	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19491	0.2
53.03928	0.8
55.01855	0.7
56.96575	0.3
57.03421	0.5
61.02913	0.7
67.77157	0.2
68.99772	0.2
69.03426	2.9
70.88514	0.4
70.88835	0.2
71.04981	0.5
72.08147	0.3
73.02908	0.9
73.88604	0.2
77.22341	0.2
79.05488	0.3
81.03413	2.7
81.07050	0.3
84.08167	0.2
85.02896	6.3
86.09694	0.8
87.00825	1.7
87.04478	0.2
91.03952	0.4
91.05447	0.9
93.07051	0.5
95.04961	0.2
95.59228	0.2
97.02879	1.9
98.97539	0.3
99.04462	1.1
99.74919	0.2
105.01867	0.9
105.07016	1.1
107.08578	1.3
107.09195	0.2
109.02865	2.9
109.10165	0.2
111.04436	0.2
112.54967	0.2
116.98640	0.3
117.01883	0.4
119.08564	2.5
121.06490	0.3
121.10127	0.7
127.03905	100.0
128.04251	0.9
129.01825	0.3
131.08549	0.8
133.02742	0.2
135.08070	0.3
137.05991	0.6
144.23215	0.2
145.04953	1.9
147.08011	1.0
149.09583	1.0
151.92340	0.2
157.41687	0.2
158.02113	0.2
159.02881	1.6
159.08026	0.3
165.09076	0.9
167.07063	0.3
167.10710	0.3
177.05470	0.2
177.09154	0.9
178.05753	0.3
181.04927	0.3
191.06908	0.2
195.10109	1.5
213.11197	10.3
222.07991	0.2
231.05063	0.7
271.05118	0.2
331.13641	0.2
375.12500	0.8
375.16888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89686	1.9
56.96564	22.7
60.57534	2.1
62.38010	2.1
70.14491	2.3
71.95284	2.8
74.97613	2.3
79.05476	2.5
81.07045	2.0
98.21503	4.9
105.07048	3.1
107.08563	2.3
112.80565	2.6
121.10120	2.4
128.98611	8.1
129.09120	3.7
146.99663	16.5
161.01253	4.1
165.00731	8.8
263.09720	3.8
315.16245	39.7
333.17343	100.0
334.17804	7.1
351.18402	47.5
352.18860	3.9
356.18930	29.0
357.19412	3.6
357.46585	2.2
374.19971	9.9
374.32050	3.0
374.36365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.96556	1.0
57.03429	1.3
61.02912	2.1
69.03422	3.2
70.06593	0.9
70.38414	1.0
70.38805	0.9
73.02914	2.6
73.51081	0.4
76.47957	0.5
79.52717	0.4
81.03433	3.1
81.07053	0.7
84.04470	0.7
84.08083	0.7
85.02896	10.3
86.03235	0.7
86.09697	2.3
87.04456	0.9
89.06028	43.5
91.05840	0.7
97.02868	3.1
98.97575	1.5
99.04424	0.5
107.07076	4.9
109.02895	3.2
111.04413	0.7
116.98614	1.2
119.04912	1.1
124.03961	0.8
127.03913	7.5
128.98627	0.8
130.08589	0.7
133.06480	0.9
133.07626	1.0
133.08597	16.7
134.99609	0.8
137.05965	1.3
139.03938	1.1
141.10242	0.8
145.02812	0.9
145.04971	1.8
147.04379	1.8
151.09636	2.3
154.05032	0.7
155.11732	0.6
161.05978	0.6
167.07008	0.9
169.04980	1.0
177.00813	0.8
177.05486	0.9
177.11235	3.7
179.03519	0.6
180.06505	1.3
182.04547	0.9
189.00717	1.4
194.08073	0.8
195.12271	100.0
196.12648	1.8
197.06938	0.7
198.07712	1.0
200.13921	1.2
212.09171	5.3
213.30562	0.5
220.11588	0.5
228.13481	1.0
264.61584	0.6
308.49976	0.5
311.06296	0.5
319.57364	0.5
358.06931	0.7
374.11035	0.6
374.15497	1.3
375.12622	1.1
375.16400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.22760	0.3
56.05027	0.7
56.96559	1.6
57.03432	2.1
58.06594	1.0
59.04999	1.1
60.04517	0.6
60.05659	0.3
61.02925	1.2
62.06085	100.0
69.03424	2.5
70.06596	1.7
70.31184	1.1
71.04976	0.8
73.02920	3.5
74.06087	0.8
76.07639	13.9
81.03407	3.5
83.04981	0.6
84.04501	0.4
84.08147	0.7
85.02898	5.1
85.06577	0.3
87.04500	0.5
90.05542	1.9
96.06890	0.4
97.02908	1.9
98.97586	2.5
99.04477	0.5
101.00938	0.4
101.06049	1.0
104.10746	0.4
106.05051	1.0
109.02849	3.7
109.07648	0.5
110.07163	0.5
110.14209	0.3
110.97569	0.5
111.04461	0.5
112.99147	0.3
114.05553	0.4
116.07079	2.4
116.98634	1.7
119.01940	1.4
120.06584	1.1
124.07727	0.4
125.99133	0.5
127.03915	2.1
128.98630	1.5
131.00206	0.7
131.01944	0.8
133.00784	0.6
133.03510	0.5
134.06024	0.7
134.99692	1.1
136.07616	1.1
137.02911	0.8
137.08267	0.4
138.05527	1.2
139.00752	0.6
140.01556	0.5
143.01961	0.5
145.00739	0.6
145.04976	0.9
146.99686	1.4
148.07552	1.0
149.01192	0.6
149.05998	0.8
151.00851	0.5
152.07048	2.4
153.05516	1.1
154.01326	0.7
154.51530	0.4
155.01974	0.6
157.03494	0.6
158.02504	0.4
158.99655	0.6
160.01311	0.6
161.01306	0.7
161.02994	0.8
162.99261	0.4
164.07167	0.5
165.00827	0.4
166.08603	2.9
167.02316	0.4
170.99619	0.5
171.05013	0.4
173.01210	0.4
173.03018	1.2
175.04533	0.6
176.07135	1.4
177.00769	1.1
181.00237	0.4
181.01834	0.5
181.51932	0.5
189.00761	0.9
190.02509	0.5
191.02266	0.8
194.08096	10.3
195.06631	1.0
195.08704	2.2
197.03123	0.4
203.55367	0.5
207.01802	0.4
211.04919	0.5
212.09077	12.7
212.13971	0.8
213.09567	0.5
219.01839	0.9
219.05104	0.4
219.07387	0.4
221.05162	0.4
226.00714	0.8
226.03311	0.5
230.02107	0.4
232.03604	0.5
233.03960	0.8
237.02954	1.0
242.04823	0.8
245.05191	0.7
248.04718	0.8
249.02924	0.4
257.05630	0.4
277.57751	0.4
291.04086	0.6
292.57761	0.8
307.07730	0.5
321.10507	1.4
355.09116	0.4
356.13199	0.7
357.07770	0.4
374.08594	3.1
374.11920	1.4
374.16055	3.3
375.06604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01855	1.1
55.05476	0.5
57.03424	1.4
61.02900	2.0
61.77359	0.4
64.05006	0.4
68.66047	0.5
69.03425	4.8
69.07048	0.9
69.82854	3.1
71.04971	0.6
73.02902	1.4
78.91595	0.5
81.03416	2.5
83.04948	0.8
85.02900	15.6
86.08563	0.6
86.09719	0.5
89.03912	4.2
91.03968	1.3
91.05453	1.1
93.07034	0.5
97.02875	5.0
98.21381	1.0
98.97565	0.9
99.04430	1.0
103.05488	0.7
107.04948	1.0
109.02866	1.9
117.03364	10.9
121.06469	0.8
127.03896	3.7
131.04878	0.8
134.03580	0.9
135.04396	2.8
137.05946	1.2
140.06982	0.5
143.04822	0.6
145.02835	40.7
145.04932	4.6
145.06474	1.4
146.03146	0.6
147.34789	0.5
148.57030	0.5
149.05983	7.4
149.09546	0.5
151.03923	0.6
153.05385	0.7
160.40625	0.5
162.03108	0.9
163.03900	3.6
163.07498	0.6
167.07039	0.7
172.05086	0.5
173.06036	1.1
176.03435	0.5
177.05457	100.0
178.05800	1.9
178.50558	0.5
180.08661	2.1
186.05463	0.9
191.06985	1.3
194.11635	0.5
195.06522	58.2
196.06853	0.9
201.05501	0.9
205.08588	2.1
207.06516	1.1
212.09135	0.6
212.12862	0.9
218.05646	0.5
219.06474	0.7
233.08142	2.8
247.05862	0.6
248.20596	0.5
251.09152	1.5
279.08643	7.6
374.14270	0.9
374.18613	21.2
375.18494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01857	2.5
57.03426	2.6
60.32268	0.7
61.02913	2.9
65.03942	1.2
65.36997	0.8
68.99796	1.1
69.03426	14.4
69.26175	8.6
69.26596	3.0
70.06580	3.0
71.04978	2.3
73.02895	2.7
81.03413	9.0
83.94881	1.0
85.02898	42.3
86.09691	3.2
87.00828	17.3
91.05475	100.0
92.05816	2.2
97.02887	13.9
99.04453	5.5
100.65862	1.0
105.01859	32.5
105.07037	2.1
108.04476	1.8
109.02863	13.1
115.03931	1.4
117.01813	1.0
126.05501	1.3
127.03911	33.7
129.01842	1.8
129.06853	0.9
133.06456	1.7
137.05966	3.3
145.04959	16.4
145.06239	1.9
147.02881	1.6
157.06474	1.0
159.02907	6.3
167.07008	1.3
171.08131	1.2
175.07503	1.3
177.03877	1.1
189.03900	2.1
194.11781	1.7
195.06485	1.0
199.07510	1.9
213.03816	2.1
217.08620	2.3
230.06577	1.4
231.04974	9.5
248.07652	2.2
249.05881	4.2
286.70755	0.9
321.09491	1.2
339.10944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01857	5.4
55.05510	9.1
57.03426	9.3
57.07079	4.6
59.04990	8.2
67.05492	15.4
69.03424	26.8
69.07063	13.9
69.53477	30.1
71.04987	10.8
73.02927	4.0
79.05506	19.1
81.03404	9.0
81.07056	49.8
83.04964	7.7
83.08627	8.3
85.02905	5.0
85.06554	3.8
87.04459	3.7
91.05447	18.3
93.07032	41.0
95.04948	12.2
95.08600	39.0
97.02878	6.0
97.06535	10.7
99.04487	4.2
103.05460	5.3
105.07042	24.7
106.89240	3.5
107.04943	10.1
107.08582	42.4
109.02907	6.1
109.06518	13.1
109.10139	27.2
111.04427	5.3
111.08118	5.7
114.86802	3.3
115.05426	5.4
117.07052	5.6
118.18549	3.1
119.04924	5.5
119.08551	31.1
121.06483	9.3
121.10127	38.3
123.04379	6.6
123.08015	8.8
123.11707	14.2
125.05981	5.0
125.09628	12.2
127.03848	3.7
131.04938	9.6
131.08566	7.3
133.06499	5.5
133.10121	34.0
135.08057	9.9
135.11690	30.0
137.05975	17.2
137.09608	22.1
137.13280	10.5
139.11194	24.2
141.06975	4.5
143.08557	3.9
145.06470	8.1
145.10118	11.2
147.04391	5.3
147.08055	5.9
147.11668	10.2
149.05995	6.4
149.09651	7.2
149.13263	8.1
151.03940	5.0
151.07567	4.3
151.11176	29.9
153.05534	6.9
157.10092	9.3
159.08093	6.0
159.11687	8.2
161.05991	8.1
161.09581	5.9
163.07486	8.3
163.11154	10.4
165.05484	6.0
165.09111	18.6
165.12756	5.8
167.07056	37.5
167.10641	4.0
169.10056	3.9
169.92581	3.8
171.11678	5.7
173.06071	5.5
173.09691	5.2
173.13298	7.6
175.07542	15.6
175.11169	23.6
175.14824	8.9
177.05450	5.3
177.09196	6.0
177.12642	4.9
179.07030	6.2
179.10692	6.9
181.04951	6.1
181.06511	3.6
181.08418	3.3
183.08073	4.0
183.11716	5.2
187.14871	5.0
189.12746	7.1
189.16478	4.0
191.07050	12.2
193.08646	7.5
193.15916	7.0
195.08105	5.4
197.13295	5.7
199.14809	10.1
201.05482	13.7
201.09094	4.4
203.14368	3.7
209.08105	5.4
211.07646	3.4
213.12752	5.3
213.16415	8.1
215.14326	4.2
218.26547	4.3
221.11703	4.7
225.09143	7.2
231.17535	10.4
233.11818	4.8
235.07541	5.0
247.07506	4.4
248.07759	3.5
251.07042	3.7
253.08574	9.2
259.20529	5.9
263.07166	3.9
265.08377	6.9
266.09280	4.1
267.10303	3.4
281.07852	4.5
283.20551	28.8
289.21695	4.2
294.08328	3.6
295.09909	7.9
297.10962	6.3
299.08997	5.9
301.21597	100.0
302.22055	6.0
309.11078	10.0
313.10742	15.0
314.11047	4.4
319.22610	39.7
325.10742	5.1
327.12305	15.6
329.13599	9.6
337.23749	21.9
340.79874	3.6
341.13593	11.7
343.11832	4.8
345.12979	3.9
355.11707	13.8
355.15457	6.7
373.12637	12.5
373.16187	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	373.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01865	4.1
55.05504	13.8
57.03417	5.0
57.07067	9.8
59.04998	4.3
60.43663	2.4
65.03928	3.1
67.05161	4.1
67.05499	49.8
67.05842	1.8
69.03423	37.7
69.07066	31.5
70.95409	3.1
70.95768	7.2
71.04981	11.4
79.05505	21.1
81.03385	3.1
81.07050	83.1
83.04966	8.3
83.08597	7.7
85.02885	9.8
85.06060	4.0
85.06538	42.9
91.05479	16.7
93.07035	41.9
95.04975	14.3
95.08036	4.4
95.08599	44.9
97.06522	10.0
97.10148	2.3
99.04420	3.5
99.08085	7.8
99.57972	2.3
101.06012	5.8
103.05471	5.9
105.01865	2.4
105.07014	22.2
105.42793	2.1
107.04969	6.3
107.08588	53.0
109.06516	10.6
109.10147	100.0
111.04429	2.9
111.08073	6.4
111.11728	3.1
115.05472	4.7
117.06998	4.8
119.04938	3.1
119.08566	20.8
121.06480	5.7
121.10137	45.5
122.10503	3.5
123.04404	4.2
123.08077	5.9
123.11704	35.7
125.05948	3.5
125.09618	78.8
127.03896	6.9
127.11263	2.6
129.06999	3.3
131.04930	4.1
131.08565	9.7
133.06476	3.4
133.10097	20.1
134.10509	2.5
135.08046	9.3
135.11674	19.2
137.05991	24.0
137.09589	37.5
137.13232	5.2
139.11176	12.6
140.07104	2.7
143.06998	2.8
143.08556	2.7
145.06477	4.1
145.10121	10.4
147.04433	3.9
147.07970	5.1
147.11693	13.8
149.05925	3.6
149.09610	11.2
149.13243	6.3
151.11179	16.8
152.11356	2.3
153.05423	5.2
153.09088	3.8
153.12759	5.6
157.10124	3.3
157.12236	8.7
159.11714	7.6
161.05983	6.0
161.09630	7.0
161.13245	11.2
163.07536	5.1
163.11166	3.6
165.09109	37.7
165.12810	2.9
167.07112	14.9
167.10658	6.6
169.12286	18.0
171.10173	8.1
171.11699	3.4
173.05989	7.7
173.13232	7.8
175.07571	7.1
175.11220	5.1
175.14793	8.4
177.05499	4.5
177.09059	6.0
177.16434	4.4
179.10674	6.5
180.07855	2.6
181.04944	4.4
183.06436	2.7
185.13208	3.6
189.12711	3.4
191.10783	3.8
193.12253	4.1
193.15901	5.8
195.10283	3.1
201.05449	35.1
201.16383	3.6
203.06999	5.6
203.14238	5.4
210.06659	4.3
211.13300	2.7
211.16949	5.3
212.16339	2.6
215.18024	3.4
219.06482	3.7
221.15350	7.7
223.07465	4.9
224.08270	4.7
232.54184	2.4
233.05896	4.1
237.08954	5.1
237.14702	3.0
239.06882	4.9
239.16237	3.0
241.19354	3.5
245.15407	2.7
251.07019	6.1
252.07944	4.1
253.08578	7.2
263.06989	3.2
265.08572	3.4
269.08170	4.4
276.20508	2.6
277.21619	5.8
279.06512	3.0
281.08008	5.8
283.09598	10.3
283.20526	9.1
292.07346	3.5
293.24738	4.5
295.09595	4.4
295.22778	3.4
297.11383	3.2
301.21640	25.8
307.09760	2.8
307.22714	5.0
311.09091	3.6
313.10712	12.2
319.19055	4.3
319.22641	48.4
323.09174	4.9
325.10614	9.6
327.12234	11.1
337.10645	6.5
337.20108	3.6
337.23743	37.1
341.10178	8.1
343.11798	15.4
345.13513	3.9
355.11728	19.8
355.24844	12.1
373.12900	19.7
373.18320	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36867	1.3
53.03934	1.7
54.40181	1.3
55.01844	2.7
55.05495	6.7
57.03430	3.3
57.07063	3.1
59.05014	1.8
59.68268	1.5
61.02922	2.5
65.80154	1.4
67.05501	17.4
69.03419	12.7
69.07067	10.7
69.54501	12.1
71.04990	3.6
79.05477	5.3
81.03426	3.4
81.07051	19.4
83.04965	4.6
83.08608	3.9
85.02905	31.2
85.06538	21.1
91.05466	4.4
93.07038	14.0
95.04937	7.1
95.08601	27.8
97.02882	7.2
97.06519	3.8
97.10126	1.9
97.68769	1.4
99.04439	2.1
99.08080	3.1
105.07030	8.2
107.04942	3.0
107.08593	16.1
109.02875	4.0
109.06502	6.0
109.10155	42.8
111.08096	10.8
111.11725	2.2
115.07564	4.8
116.89847	1.6
118.11150	1.5
119.04946	2.2
119.08601	15.6
121.06512	1.5
121.10148	13.4
123.04394	1.7
123.08064	14.5
123.10917	1.8
123.11681	9.8
125.09631	10.3
127.03887	5.8
127.07501	1.6
127.11182	1.6
131.08588	2.4
133.10124	14.6
135.11665	15.9
137.05994	2.5
137.09607	39.8
137.13251	3.6
138.23375	1.5
139.11192	3.7
143.31343	1.5
145.04932	3.2
145.10095	2.1
147.11685	6.7
149.09528	2.5
149.13205	5.1
151.11212	2.9
151.14801	2.8
153.12686	2.0
165.09093	3.4
165.12778	5.9
167.07037	3.6
169.12184	2.5
175.07449	1.8
175.14821	28.9
191.07028	1.9
193.08694	2.7
193.15875	33.6
195.17419	6.5
201.05528	3.2
205.15945	1.5
210.06703	1.7
211.16922	100.0
212.17244	3.0
235.07455	1.6
240.34579	1.5
253.08662	2.1
301.21536	3.4
313.10522	2.1
319.22644	5.1
325.10596	2.3
327.12302	3.3
329.37097	1.6
337.23624	6.6
341.12912	5.1
349.13870	1.7
373.13199	5.4
373.22211	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	373.2582
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.03934	6.9
55.01839	5.0
55.05510	18.6
55.51385	3.4
56.47348	2.6
56.96565	4.1
57.03427	5.4
57.07048	5.0
59.04990	7.0
60.61964	2.4
67.05492	22.4
69.03424	38.5
69.07055	25.9
69.90536	18.6
71.04964	8.7
74.31374	2.6
79.05487	24.4
81.03417	16.0
81.07049	70.5
83.04993	4.6
83.08592	10.4
84.08192	2.7
85.02890	7.9
85.06509	9.0
91.05451	19.2
93.07033	54.7
95.04955	10.0
95.08043	4.2
95.08601	50.1
97.02866	4.8
97.06509	11.7
97.10186	3.4
98.20760	3.9
98.97555	2.6
99.04449	3.5
99.08058	5.1
100.52264	2.5
103.05431	4.0
105.07021	38.0
107.04939	6.5
107.08574	45.5
109.02850	9.5
109.06458	15.5
109.10143	33.4
111.04415	4.7
111.08067	11.7
116.98567	5.7
117.06992	6.1
119.04898	2.9
119.08555	34.5
121.06502	8.4
121.10130	58.8
123.04395	3.8
123.08018	7.6
123.11670	21.9
123.17165	3.0
125.05990	5.5
125.09624	7.3
127.03917	6.6
128.06252	3.6
129.06956	5.3
131.04889	4.4
131.08546	12.8
133.06447	2.8
133.10129	37.0
135.08022	7.3
135.11674	40.1
137.05969	15.0
137.09616	20.7
137.13220	10.7
139.11159	26.1
143.08504	6.2
145.06430	3.4
145.10123	19.1
147.04402	3.3
147.08037	6.3
147.11678	36.8
149.09607	8.1
149.13200	7.7
151.03944	6.8
151.07529	4.0
151.11185	34.9
153.05421	4.2
153.12679	4.8
157.10065	9.8
159.08055	4.5
159.11691	12.2
161.06061	5.1
161.09546	11.1
161.13219	4.1
163.07483	3.9
163.11156	12.6
165.09094	13.5
165.12708	13.3
167.03418	4.1
167.07024	27.2
169.09947	2.7
169.12161	4.1
171.11671	6.8
173.09540	6.4
173.13237	10.1
175.07445	6.5
175.11183	26.3
175.14740	6.7
176.11472	3.4
177.05418	4.1
177.09096	3.2
177.12717	5.8
179.10666	4.2
181.12227	4.2
183.13739	3.5
185.09639	3.7
185.13245	4.4
187.14807	3.9
189.12642	3.4
189.16382	5.4
191.07030	4.9
193.12216	4.0
197.13219	4.9
199.14758	8.8
201.05403	7.9
203.14330	4.5
213.12737	6.3
213.16388	10.0
215.14314	4.5
215.17879	6.0
217.58229	3.1
219.06439	13.4
219.10205	3.0
223.14967	3.8
229.14313	4.5
231.17465	11.0
233.15416	4.9
234.98940	4.0
235.07527	4.6
241.15764	3.3
241.19531	5.7
253.08427	3.1
253.52037	2.9
259.20514	6.8
265.19553	6.2
273.22012	3.2
283.20532	36.4
289.21689	4.4
289.72598	3.1
293.24551	5.2
295.09515	4.6
301.18268	5.9
301.21585	100.0
302.21933	9.1
313.10571	8.5
314.11267	3.4
319.22629	39.6
319.26016	4.8
323.08963	3.1
325.10327	3.8
327.12115	6.8
329.13986	3.0
337.10461	3.8
337.23672	23.2
341.13434	3.4
343.11621	5.6
355.05341	2.9
355.11508	6.5
355.25867	3.3
373.12589	13.5
373.27524	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	373.2218
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.01852	3.0
55.05505	8.2
57.03420	7.2
57.07059	3.2
61.02918	4.4
67.05502	24.3
69.03426	29.8
69.07059	18.3
70.61896	4.4
70.62297	4.4
71.04993	6.3
73.02906	4.5
76.52860	2.4
79.05484	8.5
81.03426	11.5
81.07053	33.9
83.04966	9.2
83.08601	6.6
85.02898	42.7
85.06542	14.1
85.80647	2.3
86.09694	4.0
86.77839	2.2
91.03930	3.2
91.05457	5.7
91.69624	2.2
93.07054	14.9
95.04951	5.8
95.08607	42.6
97.02880	31.7
97.06476	4.4
97.10194	2.9
99.04441	5.7
99.08075	6.4
105.07030	11.2
107.04942	4.4
107.08591	26.6
109.02869	6.4
109.06525	8.5
109.10150	100.0
111.08073	4.3
115.03929	4.6
119.08579	39.2
121.10122	19.6
123.04430	4.3
123.08004	11.1
123.11704	10.5
125.09620	7.4
127.03921	12.9
127.11171	3.5
131.04883	2.6
133.10130	21.2
133.36180	2.2
135.08038	4.3
135.11684	91.9
137.05949	8.0
137.09602	22.5
137.13196	2.8
139.03873	2.8
139.11182	6.6
145.04959	10.8
145.10138	2.7
147.08029	3.5
149.13219	5.9
149.42204	2.6
151.03885	3.2
151.07513	2.8
151.11224	6.8
151.14813	9.0
153.05389	3.4
159.11696	2.8
163.06039	2.7
163.07503	4.2
163.11180	2.3
167.07021	6.7
173.05963	3.6
175.14801	45.8
177.16258	2.3
179.07033	2.9
181.15839	8.8
191.06940	4.5
193.08614	2.7
193.15875	68.3
195.10191	2.9
195.17392	2.6
197.05400	2.6
201.05421	12.3
205.15958	2.2
211.16919	89.2
212.17284	3.3
263.07050	3.3
288.16757	2.3
295.09384	2.5
297.07370	2.9
301.21536	3.5
313.10849	3.2
319.22610	7.0
325.10684	4.5
327.12286	4.2
337.23782	7.4
355.11685	6.4
373.13040	7.8
373.22327	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.74688	2.0
55.05507	13.5
57.03425	2.7
58.75112	1.6
59.04994	6.4
61.02919	2.5
67.05499	20.1
69.03424	13.6
69.07078	10.8
69.84407	3.3
69.84822	7.1
71.04977	4.1
79.05502	5.4
81.03416	5.3
81.07050	17.4
83.04976	64.5
85.02897	29.9
86.09689	2.5
91.05472	3.8
93.07034	9.2
95.01358	2.0
95.04971	9.0
95.08592	14.9
97.02880	4.6
97.06495	3.2
99.04447	5.9
105.07032	3.8
107.08585	6.4
109.02882	3.6
109.06520	6.8
109.10154	36.8
111.08087	3.6
119.08600	6.2
121.10160	3.3
123.08096	3.9
123.11672	2.7
124.07596	13.4
125.09661	2.9
125.74651	2.0
127.03900	8.5
133.10118	6.2
135.08017	3.2
135.11691	11.8
137.05959	2.8
137.09605	100.0
138.09991	2.4
145.04958	4.3
151.03886	2.6
155.10661	14.6
163.07588	3.2
167.06981	2.4
175.14809	7.9
179.03531	1.9
193.15868	58.0
194.16245	2.5
195.10242	3.2
196.65807	1.7
201.05501	3.1
211.16846	2.3
212.12796	16.1
299.15247	2.9
343.34222	2.0
355.21188	1.9
357.12659	1.8
373.18289	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.3
55.05495	11.1
57.03439	5.8
65.03898	3.9
67.05499	17.3
69.03434	18.9
69.07061	17.1
71.05000	5.9
71.58698	6.1
73.02893	4.6
75.56838	4.1
79.05486	14.3
81.03400	6.6
81.07056	45.1
81.81458	3.6
83.04968	5.9
83.08628	4.0
85.02475	4.4
85.02912	34.2
85.06541	7.3
86.09661	5.0
91.05476	20.6
93.07031	35.0
95.04994	6.8
95.08598	42.2
97.02904	12.5
97.06512	6.1
105.07035	45.9
107.04995	7.0
107.08586	52.8
109.02863	6.0
109.06541	6.3
109.10148	35.9
111.04470	4.5
111.08034	6.6
115.05440	6.1
119.08569	67.5
121.06480	5.3
121.10153	15.1
123.08079	9.1
123.11714	13.6
125.05971	4.1
125.09605	8.3
127.03896	6.5
131.04951	7.0
131.08574	7.1
133.06482	4.5
133.10126	47.5
135.11703	23.4
137.05968	14.8
137.09607	13.6
140.15512	3.5
145.10123	4.0
147.11690	13.8
149.13280	9.5
151.11139	7.5
161.05914	4.3
161.13248	4.0
163.07544	8.2
163.14799	16.9
167.07047	29.7
173.13239	5.3
175.07527	7.1
175.14813	100.0
193.08633	5.1
193.15857	34.9
201.05408	21.3
211.16936	32.3
227.06805	3.9
239.11951	4.9
253.08615	4.9
265.08578	4.9
269.08078	5.5
301.21518	5.0
313.10739	25.8
319.22525	7.9
325.10486	4.8
327.12311	5.7
329.13974	4.1
336.15918	4.0
337.23727	12.0
343.11722	4.8
355.11774	10.5
373.12729	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
53.87931	0.7
55.01867	3.1
55.05253	1.2
55.05505	13.1
56.96564	1.0
57.03433	3.9
57.07080	1.5
59.05001	5.2
61.02910	2.8
64.95237	0.7
67.05500	19.3
68.05110	0.9
69.03424	14.6
69.07066	15.5
70.06580	0.8
71.04990	4.7
71.60648	0.7
71.61063	0.8
71.89882	0.7
79.05497	5.0
81.03416	6.7
81.07053	16.5
83.04974	59.7
83.08607	2.5
84.04510	1.5
84.08142	1.7
85.02896	30.7
85.06545	3.4
86.09692	3.7
87.00817	1.5
87.04445	1.2
91.05453	11.0
93.07034	9.5
95.04964	12.1
95.08599	14.5
97.02871	6.8
97.06524	2.2
98.97579	4.5
99.04442	7.5
103.05472	1.7
105.01792	1.0
105.07028	4.0
107.04934	3.6
107.08592	8.1
109.02863	4.7
109.06522	7.0
109.10146	38.5
110.10486	0.9
111.04420	0.9
111.08060	3.4
113.06017	1.3
115.03947	1.0
115.05461	1.3
116.98637	3.6
117.06982	1.1
119.04950	1.7
119.08575	8.3
121.02882	1.1
121.06483	1.7
121.10150	5.1
123.04456	0.8
123.08047	1.8
123.11700	3.3
124.07587	23.6
125.05991	1.1
125.09625	3.6
127.03915	11.5
130.08618	0.8
131.04929	1.6
131.08565	1.9
132.05727	1.2
132.10214	1.7
133.06514	1.1
133.10126	7.7
134.99660	1.5
135.08054	2.9
135.11671	8.6
137.05991	8.2
137.09605	100.0
138.09126	3.5
138.10022	1.4
139.11200	0.9
145.02884	2.5
145.04933	8.7
145.10150	1.2
147.04422	1.2
147.08107	1.2
147.11671	2.3
149.06009	1.4
149.09656	1.5
149.13251	1.4
151.03833	0.9
151.11179	2.4
151.14841	0.9
155.10657	15.6
157.10065	1.1
159.04404	1.8
161.05988	1.5
163.06128	1.4
163.07527	3.8
165.09119	1.2
165.12727	0.8
165.16394	1.0
167.07063	3.5
173.13231	1.1
175.07536	2.7
175.14813	9.3
177.00685	2.5
177.05421	1.0
177.09145	0.9
179.03366	0.8
179.07062	3.0
179.10612	0.9
189.73746	0.8
191.07025	1.9
191.14450	1.0
193.15868	66.2
194.11792	1.5
194.16133	0.9
195.10132	0.9
199.03967	1.4
201.05441	6.3
203.09006	1.1
211.05876	1.3
211.13171	1.3
211.16980	2.5
212.12807	21.2
217.04939	0.9
219.01816	1.0
219.06464	1.1
231.05019	1.5
231.27643	0.7
235.17061	2.0
237.02806	2.2
245.04544	0.9
249.05927	1.4
255.03407	0.8
273.04016	1.8
281.13666	1.0
299.14890	2.2
305.09012	6.0
307.09790	1.2
313.11386	0.8
325.10809	2.2
327.12363	1.4
329.08109	1.0
336.59824	1.0
341.13907	4.0
345.07507	3.6
347.10229	2.4
355.11636	1.9
355.16174	0.8
355.20905	1.7
373.06891	16.2
373.18408	8.9
374.07474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	2.9
56.96507	1.0
57.03433	30.3
61.02917	13.0
69.03422	28.5
69.03795	1.1
70.84506	2.5
71.01344	2.9
71.04970	1.9
73.02912	62.8
73.04745	0.9
80.70953	0.8
81.03413	6.0
85.02896	100.0
87.04458	3.5
91.03935	6.3
91.05779	5.8
97.02885	47.1
98.97575	1.5
99.04440	4.0
103.03931	1.4
109.02872	9.6
115.03920	38.3
127.03906	31.0
132.06554	1.4
133.04967	14.2
145.04950	60.3
146.05243	0.9
146.99637	1.0
150.07602	3.4
153.60422	0.9
157.08626	1.0
163.06003	39.1
163.07381	2.1
164.95462	0.9
173.04266	1.0
181.04947	0.9
192.06638	0.9
193.04997	1.3
223.06006	4.6
223.11765	11.6
241.07118	5.3
247.41277	0.8
259.08133	6.3
295.10214	6.5
355.81787	0.9
356.07068	1.2
372.13058	1.3
373.10782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
54.27581	4.2
55.01865	8.5
55.05512	4.0
56.96550	7.7
57.03419	16.9
57.03662	3.8
59.04984	14.0
60.04505	13.6
61.02917	23.1
67.05492	4.8
69.03121	3.8
69.03425	39.3
69.84939	29.3
70.06586	8.5
71.01334	5.4
71.04971	11.6
73.02920	22.7
73.04740	9.0
73.07099	3.3
74.06059	3.9
75.04462	12.6
76.03969	5.0
76.16837	3.6
78.85455	3.6
81.03425	43.2
81.07062	4.4
83.04963	15.1
83.05412	4.2
84.04462	4.7
84.08166	5.7
85.02425	8.3
85.02899	100.0
85.06517	5.2
86.06072	5.7
87.04460	6.3
89.02378	13.3
91.03944	6.4
91.05805	73.2
92.05722	12.6
95.04970	4.9
97.02898	49.7
98.21404	6.5
98.97575	17.1
98.98457	7.4
99.04440	17.2
101.02357	6.6
101.06007	12.5
103.03919	11.4
106.06525	6.9
108.53937	3.9
109.02896	38.5
111.04478	7.0
113.02377	5.8
113.05968	9.1
115.03904	8.1
116.98603	17.3
122.37611	4.5
123.04399	7.5
124.07590	16.2
127.03915	48.8
128.02365	4.4
129.05458	6.7
130.08626	13.3
134.99657	9.6
137.05995	4.8
138.05487	13.3
138.37672	5.2
141.05463	18.9
142.08694	5.6
143.01736	4.5
145.04932	32.9
146.99629	6.4
149.01172	4.9
153.05482	4.7
158.99623	8.4
159.06532	44.7
161.02927	10.4
163.06035	9.6
164.10732	9.8
167.06944	6.1
173.03021	4.3
175.05930	5.4
176.09131	8.9
177.00677	15.0
177.05711	6.0
177.07565	83.5
179.33757	4.7
180.06454	4.1
181.05147	5.1
190.05838	4.2
193.86928	4.4
198.04646	11.5
201.00647	8.5
210.09552	4.8
210.11302	10.8
211.02518	3.9
219.01834	14.0
227.06644	7.4
233.06720	6.2
237.02850	21.9
241.06575	6.8
245.05003	7.5
268.97949	4.7
269.97757	11.2
276.08557	12.2
279.03937	7.3
285.00778	8.8
285.09119	6.6
286.00967	14.1
287.00803	4.5
300.06415	4.4
303.07449	4.4
304.01852	8.1
356.07175	26.0
372.12479	15.7
373.11038	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72194	0.3
53.03950	0.8
55.01868	0.9
57.03425	1.5
61.02921	2.7
62.06083	0.4
63.09702	0.3
69.03425	6.2
70.24134	0.7
70.24548	1.0
71.04985	0.6
72.04502	1.2
73.02908	1.2
74.06054	0.3
74.22788	0.3
79.05475	1.1
81.03416	3.6
85.02898	17.3
87.04454	1.0
91.03952	0.9
91.05478	1.4
97.02884	5.4
98.97607	0.4
99.04476	0.8
100.03963	0.4
103.05464	2.9
105.07021	5.7
107.04953	1.5
109.02870	1.7
114.07320	0.3
115.03930	0.4
117.05765	0.5
117.07031	1.6
118.06541	2.2
119.07327	4.2
120.08110	5.0
127.03917	3.0
128.06174	0.3
129.07014	3.1
131.04918	1.5
131.07297	1.2
144.08070	0.9
145.04958	2.4
146.09633	6.8
164.10703	100.0
165.11032	2.1
192.10132	1.6
210.11234	98.3
211.11613	2.0
212.06413	0.4
252.12297	0.5
326.16013	0.4
336.14392	0.8
356.07010	0.4
372.16513	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35654	1.4
55.05473	1.3
58.09856	1.3
63.55575	1.3
67.05489	1.8
69.03419	3.8
69.07047	1.8
69.67038	10.3
79.05493	1.8
81.07051	4.8
85.02917	1.9
85.44163	1.4
91.05465	4.9
93.07035	3.0
95.08587	2.3
105.07021	4.0
107.04957	1.5
107.08585	13.9
109.06508	4.7
109.10130	5.4
114.18290	1.3
117.07056	2.1
121.10141	11.9
122.07300	4.8
133.10120	100.0
134.10466	2.5
135.08015	11.4
137.09607	47.1
149.13240	12.0
163.14851	2.6
173.13232	5.1
191.14294	34.5
199.46297	1.4
209.15393	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01863	1.6
55.05512	2.2
57.03430	0.8
57.07059	0.5
59.04997	0.6
61.02918	1.6
63.02336	0.4
65.03945	0.6
67.05494	3.3
69.03429	6.3
69.07053	1.8
69.90688	0.4
70.17993	2.3
71.04990	4.5
73.02922	0.7
74.39520	0.5
79.05489	1.2
81.03429	2.6
81.07053	3.8
83.04976	3.0
83.08616	1.1
85.02898	9.6
85.06527	2.2
87.04445	0.4
91.03952	0.4
91.05454	0.9
93.07042	3.9
95.04964	100.0
95.08612	3.8
96.05291	1.8
97.02874	2.7
97.06529	1.3
98.21517	0.5
99.04449	25.7
99.08085	1.1
100.11255	2.5
105.07036	2.8
107.04962	1.2
107.08587	5.4
109.02879	1.7
109.06518	3.2
109.10136	3.9
109.37453	0.4
111.04443	1.1
111.08083	2.0
111.65391	0.5
119.08571	1.9
121.06487	0.7
121.10132	3.5
123.08047	1.1
123.11697	1.1
125.09600	3.4
127.03930	2.2
131.08569	1.8
133.10112	7.0
135.08047	4.2
135.11673	1.7
137.05968	1.6
137.09642	1.7
145.04987	1.5
145.10141	1.9
147.04366	0.8
147.08087	0.8
147.11661	1.4
149.09622	1.9
149.13261	1.8
151.11200	1.1
153.09096	36.5
154.09453	1.0
158.10884	0.7
161.06036	0.6
161.09634	0.5
161.13254	0.7
163.11194	1.2
163.14812	1.5
165.09155	0.5
165.12770	0.5
167.07053	6.0
173.13264	6.4
174.06923	0.5
175.07578	0.7
181.04854	0.5
182.15440	0.8
187.07820	0.6
191.07016	1.4
191.14293	15.7
192.14616	0.6
193.08678	0.8
193.15936	1.1
209.04514	0.6
209.08150	0.7
209.15350	46.8
210.15804	2.2
217.08667	0.6
217.73094	0.5
227.17621	0.8
261.09158	0.7
262.87814	0.4
263.07050	0.5
265.08478	0.6
266.09122	0.7
267.06311	0.5
285.01215	0.5
288.55261	0.4
293.08014	0.5
302.33484	0.5
307.09854	0.8
311.09128	0.8
317.21014	0.5
321.11163	0.8
325.10739	0.6
335.22333	0.8
339.12311	1.8
343.11752	0.6
353.10248	1.1
353.14102	0.8
362.27280	1.2
362.77625	0.8
370.87494	0.5
371.15482	4.4
371.20718	3.0
372.15668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01653	1.0
55.01868	10.5
55.05265	1.8
55.05510	25.0
56.96552	1.1
57.03429	10.0
57.07055	2.1
57.60152	0.9
59.04985	2.7
61.02927	10.8
65.03927	1.0
67.05505	7.2
69.03427	37.8
69.07060	6.7
69.32565	9.1
71.01338	1.4
71.04989	4.6
72.52128	1.0
73.02924	5.2
73.84778	0.8
79.05485	6.0
81.03052	0.9
81.03419	11.4
81.07070	12.0
83.01307	1.4
83.04975	52.2
83.08612	29.8
84.05279	1.1
84.08163	1.2
85.02901	57.9
85.06531	3.9
86.03270	0.9
86.09708	2.3
87.04456	5.5
89.05987	1.1
91.03929	3.8
91.05375	5.2
93.07035	11.9
94.33620	0.9
95.04953	10.1
95.08605	12.8
97.02889	21.8
97.06527	9.1
97.10155	4.4
98.21509	1.9
99.04453	7.3
99.08074	1.7
100.11229	2.4
101.06033	1.8
103.03928	7.6
105.07027	7.8
107.04940	3.5
107.08583	16.4
109.02882	9.1
109.06502	8.7
109.10158	13.1
111.04433	2.8
111.08081	8.7
113.06009	1.7
113.09608	1.4
115.03923	0.9
117.07004	2.6
119.08574	5.8
121.06464	4.3
121.10132	14.0
123.04414	3.5
123.08044	9.3
123.11663	5.8
125.05986	8.0
125.09646	11.3
126.12753	1.0
127.03083	1.3
127.03920	14.2
128.07155	1.0
129.05441	1.5
129.06996	2.3
131.08553	3.2
133.06456	1.4
133.10115	6.9
135.08060	2.2
135.11658	2.3
137.05956	6.7
137.09563	3.6
139.07553	1.6
139.11182	22.5
143.07016	2.7
145.04941	6.4
145.06494	1.2
145.10077	2.9
147.06512	1.2
147.08040	1.7
147.11658	3.3
149.05969	2.6
149.09587	8.2
149.13246	3.5
151.07506	1.8
151.11177	29.0
153.09090	2.8
155.07050	1.6
155.10605	3.0
157.10103	1.4
159.07974	1.3
161.09595	3.2
163.07516	1.9
163.11122	2.2
165.09119	1.4
165.12727	1.0
167.07043	14.4
167.14307	34.3
169.12263	7.5
171.10173	1.0
171.11609	1.7
173.13255	3.6
175.07513	0.9
175.11180	2.3
175.14861	1.2
179.14334	1.3
181.12225	38.7
182.12561	1.9
182.15381	1.1
185.08083	7.0
189.12675	1.5
191.07057	1.4
191.10641	2.8
191.14294	10.5
193.08594	1.7
195.10133	4.2
195.13835	1.5
197.15353	1.2
203.09068	1.9
209.15358	100.0
210.15587	4.2
217.08585	1.6
221.15384	1.8
233.15329	10.1
235.07481	1.3
237.14958	1.7
245.15280	1.1
263.16418	3.9
269.14261	1.1
275.16318	1.3
293.08469	1.4
295.15421	2.7
298.74054	2.4
311.09390	1.5
313.16382	2.6
317.17511	2.1
321.11188	1.7
325.07883	2.1
335.18405	5.6
335.22052	2.0
339.12332	1.3
353.13641	1.8
353.19571	2.1
353.23285	1.5
355.07104	1.2
362.27182	1.6
371.11404	1.6
371.15942	3.8
371.20602	31.0
372.20868	2.0
376.12067	1.0
387.33105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05499	1.1
57.03436	0.9
57.07094	0.5
59.04998	1.0
61.02911	1.7
61.68941	0.5
64.35641	0.5
67.05502	2.8
69.03429	4.8
69.07074	0.7
69.84556	1.4
69.84985	2.2
71.05001	4.8
73.02902	0.9
79.05496	1.2
79.67984	0.5
81.03424	3.1
81.07030	3.2
83.04987	1.3
83.08611	0.7
85.02904	10.6
85.06532	1.4
87.04442	0.7
89.06026	6.8
91.05834	1.2
93.07043	2.1
95.04965	100.0
95.08597	1.6
96.05304	2.1
97.02882	3.1
97.06553	1.1
99.04452	23.5
99.05103	1.3
105.07021	2.5
107.04967	0.8
107.08600	3.2
109.02867	1.8
109.06499	3.9
109.10127	1.8
111.08090	1.9
119.08566	1.5
121.06535	0.9
121.10146	2.4
122.06038	0.7
123.11717	0.6
125.09623	0.8
127.03899	2.5
131.08575	1.7
133.08604	2.3
133.10124	9.4
135.08058	2.9
135.11710	1.6
137.05981	1.7
137.09601	1.3
145.04982	1.5
145.10190	0.6
147.11693	0.7
149.09637	1.4
149.13246	0.7
151.11174	1.6
153.09094	32.0
154.09441	0.8
163.14755	0.8
167.07066	2.5
173.05875	0.6
173.13243	5.4
175.14804	1.2
182.42226	0.5
191.14275	10.4
192.10158	0.9
193.15822	1.1
209.15356	39.9
210.11287	1.4
210.15710	1.5
217.08620	0.7
222.02827	0.6
268.97806	0.9
353.06561	1.1
371.16699	5.7
371.20911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03935	1.3
55.01876	1.3
55.05498	1.4
57.03413	2.6
59.04979	0.9
61.02908	3.7
66.49429	0.6
67.05474	2.1
69.03079	0.9
69.03426	13.3
69.07053	2.4
69.46303	3.1
69.46728	2.0
71.04975	1.6
73.02898	1.5
76.84437	0.5
79.05486	1.4
81.03408	6.9
81.07031	4.0
83.04984	3.8
83.08575	0.9
85.02899	27.9
85.06515	0.6
87.04446	1.5
91.03948	2.0
91.05445	1.7
93.07023	2.4
95.04971	3.4
95.08598	3.8
97.02875	7.9
97.06520	0.7
98.21447	1.4
99.04433	1.6
101.05914	0.6
105.07016	3.5
107.04937	1.2
107.08581	7.0
109.02884	3.8
109.06510	6.4
109.10152	3.2
111.08049	0.9
117.07059	0.9
119.08549	2.6
120.08100	1.0
121.02885	0.7
121.06511	1.4
121.10139	10.0
123.04417	0.6
123.08054	5.4
123.11676	2.4
125.09630	0.9
127.03922	5.4
131.08546	1.6
133.10114	3.4
133.21732	0.5
135.08020	4.2
135.11690	1.0
137.05943	1.7
137.09613	9.3
137.13240	1.1
139.11218	0.7
145.04961	7.3
145.10042	1.4
147.11674	2.0
149.09624	10.3
149.13243	4.6
150.09978	0.6
151.11166	23.0
153.09061	0.6
158.10915	0.5
161.05867	0.8
163.05998	1.1
163.11197	0.5
163.14789	1.6
165.12741	39.0
166.13071	1.2
167.07054	4.3
173.13268	2.7
191.14307	11.0
193.15834	2.9
209.15350	100.0
210.15759	3.0
217.08560	0.7
277.08600	0.6
283.09717	0.9
289.08435	0.5
293.11581	0.9
295.09528	0.8
300.10324	0.6
302.74478	0.6
309.11078	1.0
321.11313	0.9
322.12073	0.7
328.12988	2.0
335.21881	0.6
339.12338	1.5
353.13919	1.1
371.10901	0.7
371.15424	1.4
383.40500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	3.2
53.05993	1.1
55.01864	5.4
55.05507	12.9
56.96551	2.6
57.03432	7.5
57.07064	8.3
59.04992	4.3
61.02916	5.2
64.45983	1.1
67.05505	8.2
69.03426	23.5
69.07067	15.1
70.06599	2.5
71.01346	1.4
71.04984	7.9
71.08620	2.9
71.27031	3.0
71.27354	1.6
73.02900	6.3
79.05066	1.3
79.05493	18.3
79.17374	1.3
81.03401	13.2
81.07053	47.2
83.04977	21.5
83.08616	25.0
83.49063	1.3
84.04449	1.5
84.08139	2.2
85.02898	41.7
85.06535	5.2
85.79410	1.3
86.09686	2.1
87.04456	3.7
91.05849	19.1
93.07040	22.1
95.04958	38.6
95.08576	9.2
97.02880	20.3
97.06491	8.0
97.10167	1.8
98.97578	3.2
98.98423	1.5
99.04452	17.4
99.08059	1.7
101.05997	4.6
103.03941	2.7
103.05414	1.5
105.07021	9.0
106.04169	1.8
107.04945	5.6
107.08588	21.3
109.02872	19.0
109.06513	30.8
109.10149	24.5
110.06084	1.9
111.04426	4.6
111.08057	13.1
113.06046	1.6
114.07300	1.4
115.03935	1.6
116.98579	2.1
117.07047	1.7
119.08565	7.3
121.02812	2.1
121.06510	5.0
121.10130	25.3
122.06035	3.0
123.04432	7.0
123.08054	5.4
123.11704	15.0
125.05982	2.8
125.09610	4.9
125.13257	6.1
127.03909	29.6
127.07501	2.7
128.04219	1.6
129.05467	4.1
131.04959	1.6
131.07002	1.7
131.08569	4.8
133.06595	1.8
133.10126	13.4
134.03529	1.5
135.08026	6.8
135.11679	5.7
136.07576	2.0
137.05960	9.2
137.09624	2.8
138.09116	1.7
139.03883	3.3
139.07550	1.6
139.11171	3.3
145.04935	6.9
145.08566	2.5
145.10130	5.0
146.08925	1.9
147.04404	1.9
147.06529	3.8
147.08034	2.5
147.11670	4.7
149.06012	2.2
149.09688	3.0
149.13240	26.0
151.03896	2.2
151.11195	8.3
153.05475	3.1
153.09094	18.0
160.03954	2.3
161.05974	1.8
161.13300	1.5
162.05374	2.4
163.06146	2.0
163.07504	2.5
163.11143	2.2
163.14804	5.5
164.07077	3.8
166.03247	3.3
167.07011	12.4
167.10730	2.0
167.14307	31.9
169.05048	2.1
169.12282	2.8
171.10139	3.8
173.13257	10.9
177.00728	1.7
177.05490	5.1
180.06522	2.2
181.12216	2.9
185.08136	1.9
187.06009	4.6
187.07521	1.8
188.07082	2.1
189.12688	1.8
191.10695	1.8
191.14297	25.8
192.06581	3.8
193.08601	1.5
194.02161	2.2
203.05357	1.8
205.07031	7.1
209.04413	9.7
209.07991	4.8
209.15350	40.8
210.11179	2.0
217.08641	3.5
230.07999	2.9
233.15402	3.1
237.02954	2.4
249.09436	1.7
250.06071	1.5
254.04823	2.6
259.13129	1.7
265.08585	3.7
268.97794	3.2
285.01001	6.9
293.08206	3.7
317.17279	1.8
325.10562	1.9
327.13089	5.1
335.18561	4.2
353.10211	3.2
353.19681	3.9
355.07108	6.8
356.07373	1.8
371.12933	4.5
371.16739	100.0
371.20535	7.9
372.16913	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.8
53.06586	3.0
55.01861	13.3
55.05509	23.9
56.93307	3.0
56.96558	7.1
57.03431	7.2
57.07066	6.5
57.56641	3.6
59.05006	7.4
61.02924	4.7
65.43204	3.1
67.05500	20.9
69.03429	27.2
69.07065	18.1
70.01531	18.2
70.06569	8.4
71.04990	10.8
72.08147	4.5
73.02893	9.7
73.04749	11.7
77.36369	3.7
77.98597	3.6
79.05486	47.3
81.03414	32.0
81.07053	40.5
83.04981	25.0
83.08603	9.6
84.08134	7.0
85.02905	86.0
85.06540	11.6
91.05861	57.4
93.07046	54.4
94.06548	8.4
95.04964	27.3
95.08593	33.7
97.02897	22.4
97.06531	8.2
97.10159	3.3
98.98469	4.0
99.04482	16.5
101.06001	6.9
103.03932	6.8
105.07024	34.1
107.04963	7.3
107.08589	81.9
109.02906	8.5
109.06448	18.0
109.10154	23.1
109.45961	3.3
110.06004	5.8
111.04451	7.5
111.08099	6.6
113.06011	10.3
114.07379	6.5
115.05412	7.0
116.98664	5.3
117.03387	3.7
117.07008	9.5
119.08569	27.4
121.02863	3.5
121.06503	5.8
121.10141	100.0
122.06035	47.2
123.04429	16.9
123.08058	5.1
123.11672	4.3
124.07576	4.0
125.09622	4.1
127.03935	21.0
128.98521	4.1
129.05472	5.1
129.06998	5.7
131.04953	7.1
131.08583	12.6
133.02838	5.8
133.06480	5.8
133.10133	22.8
134.99696	4.3
135.08052	59.1
135.11664	18.1
136.07574	22.3
137.05965	25.8
137.09639	10.1
139.07446	3.3
141.74681	3.5
145.04948	10.2
145.10121	7.7
146.99609	3.8
147.06531	14.1
147.08124	4.7
147.11670	14.8
149.05972	6.8
149.09608	8.4
149.13268	4.9
150.05498	33.6
151.03944	6.0
151.07571	9.0
152.07106	10.3
153.01855	6.9
153.09106	9.7
154.08514	4.1
163.14812	23.1
164.07043	23.3
164.10728	7.4
165.00706	3.6
165.05446	5.3
165.09146	5.0
166.08638	6.6
167.05672	3.9
167.07065	9.5
168.06552	18.7
170.08128	4.5
173.13280	19.2
175.45786	3.4
177.05482	15.2
177.09103	5.1
179.03407	10.4
179.07010	10.8
182.08185	15.3
191.07053	10.0
191.14296	69.6
192.06589	5.9
192.10220	5.2
192.14661	3.8
193.15912	12.3
195.10150	5.2
203.05243	4.4
203.10654	4.2
204.78651	3.3
205.04959	4.6
209.04422	7.2
209.08011	6.6
209.15340	31.7
210.11250	38.3
219.06497	6.7
220.09724	8.0
237.02675	4.2
238.10786	4.2
243.06470	4.3
251.16420	13.1
266.99963	4.8
268.97867	16.4
283.02979	5.0
283.10059	3.9
285.00998	22.7
289.78802	3.5
293.08102	6.6
303.02097	8.6
318.09924	3.6
325.10620	10.9
325.67206	3.8
335.12454	10.5
335.18579	5.4
337.09030	26.9
349.08530	4.5
353.09537	6.0
353.13406	14.9
353.19531	3.8
354.11771	6.8
355.06863	17.5
371.12946	11.0
371.16687	18.2
371.21161	6.8
373.07803	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
55.01892	1.8
55.05494	4.9
56.96543	2.8
59.25233	1.6
63.14255	1.4
65.03935	3.7
67.05492	3.0
69.03412	3.3
69.07068	22.7
71.63126	1.6
71.63557	2.4
79.05479	6.8
81.03427	1.7
81.07041	5.0
83.04983	2.8
85.02910	3.0
91.05415	3.9
93.03406	2.5
93.07027	5.0
95.04965	4.0
95.08595	5.4
97.02894	2.5
98.97547	1.7
101.06013	1.7
105.06996	5.4
107.04971	4.6
107.08573	4.5
109.06517	3.9
109.10188	2.2
110.07056	1.9
111.04441	2.8
119.08565	2.7
121.02885	2.5
121.10129	4.4
123.04423	5.1
123.11642	2.6
125.06004	2.2
125.09589	2.8
127.03897	2.1
129.05472	2.8
131.01274	5.0
131.08554	1.7
133.02863	2.6
133.10124	4.6
135.04407	4.7
135.08069	2.6
137.05971	37.3
137.09644	2.0
147.04382	2.2
147.06500	4.2
149.02312	20.9
149.06003	2.5
151.03896	4.6
153.06981	7.1
161.02339	4.5
161.06070	1.9
163.03889	21.4
163.11128	1.9
165.07019	2.0
167.03387	100.0
167.07066	3.9
168.03731	2.2
173.13226	1.7
177.05438	3.5
181.06436	10.9
187.07565	3.2
188.89761	2.1
191.03371	11.0
191.10573	2.5
198.06682	4.2
199.07538	2.4
205.08559	28.9
209.05923	15.2
213.05685	2.3
213.09128	3.1
217.08623	2.1
219.10164	13.0
223.07474	1.9
226.06213	8.0
227.06953	2.5
237.05440	11.6
238.06107	1.7
239.06914	2.2
241.04855	3.2
241.08624	13.4
243.06483	5.6
247.09663	16.9
251.07051	1.7
253.05070	1.6
254.05699	9.1
254.39424	2.0
256.07300	9.0
257.08057	2.8
268.07367	2.5
269.08066	61.5
285.07526	10.6
293.11649	4.9
297.07535	20.6
297.14642	9.5
315.08612	7.3
324.13321	2.5
325.14319	36.1
326.11099	1.9
326.14563	2.0
339.12347	3.0
341.13568	3.0
353.10229	2.6
353.13937	20.2
371.14957	22.3
371.21875	2.2
371.25739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
51.13755	0.3
55.01832	0.6
55.05453	0.7
65.66824	0.4
67.05446	0.7
69.03386	0.8
69.07002	1.0
69.89293	0.3
70.02189	1.8
71.04919	0.6
79.05422	1.2
81.07053	1.6
83.04926	0.5
85.02863	0.6
89.51142	0.4
91.05398	1.3
93.07036	1.9
95.04940	0.7
95.08566	0.9
97.02845	0.4
98.20782	0.4
98.97531	0.8
99.04419	0.4
103.05396	0.7
103.61740	0.4
105.06947	1.3
105.17813	0.3
107.04939	2.3
107.08519	1.0
109.06486	0.6
109.10081	0.5
111.04366	0.4
115.05415	0.6
116.98543	0.5
117.07050	0.4
119.04873	1.0
119.08534	0.9
121.02808	0.6
121.06504	1.7
121.10067	1.4
123.04456	0.5
123.11647	0.4
128.06166	0.6
129.06932	1.3
131.04901	1.7
131.08478	0.7
133.06415	0.9
133.10037	1.3
135.04366	0.5
135.07948	0.8
135.11607	0.5
137.05954	3.5
137.09515	1.4
137.54918	0.4
144.05609	0.5
145.06488	0.8
145.10022	0.6
147.04373	0.9
147.07954	0.7
147.11607	1.4
149.05963	0.4
149.09540	0.5
149.13220	0.8
151.03806	0.7
151.07504	0.4
152.04593	0.4
152.06201	0.6
153.06976	0.3
156.05634	0.4
157.06448	0.7
157.10036	0.4
159.07974	0.9
160.04944	0.4
161.05894	0.9
161.09502	0.4
163.07498	0.7
163.14720	0.3
165.06927	1.6
165.09024	0.5
166.07649	1.3
167.07033	5.7
168.05698	0.3
169.09970	0.4
171.08029	0.5
173.05943	0.6
173.13261	0.5
175.07457	1.0
177.00638	0.8
177.05464	0.6
177.06879	0.6
178.07735	2.5
179.08530	1.9
181.06456	1.8
187.07509	1.2
189.06941	1.1
189.09004	1.2
190.07719	1.3
191.08461	1.5
191.14279	4.3
191.15845	0.5
191.17644	0.3
192.05695	0.4
193.06386	1.1
193.08478	0.8
194.07245	2.7
195.07939	1.5
196.08673	0.6
201.09070	0.6
202.07802	0.5
203.08469	1.2
205.06505	1.9
205.10052	0.5
206.07257	3.1
207.08058	3.7
208.08719	1.3
209.05904	1.4
209.07813	0.6
209.09625	1.3
209.15306	1.9
210.06670	0.6
211.07364	0.7
215.08534	1.3
216.09348	0.4
217.06636	0.6
217.08507	1.9
218.07222	2.0
219.08112	2.1
219.09975	0.6
220.08698	0.9
221.05971	3.6
221.09537	1.7
222.06732	5.0
222.10124	0.6
223.07422	2.9
224.08298	3.9
225.05299	0.5
225.08940	0.9
231.08032	1.3
232.08705	1.6
233.05927	1.0
233.09573	2.4
234.06758	5.1
234.10260	1.2
235.07532	5.7
236.04698	0.4
236.08273	4.5
237.03038	0.7
237.05400	2.4
237.09111	3.4
238.06165	0.6
238.09781	0.7
239.06915	1.0
239.10632	0.7
240.07693	1.0
241.08432	0.7
243.07886	0.5
244.09035	0.5
246.06720	0.5
247.07408	1.4
248.08301	0.9
249.05472	1.4
249.09100	13.5
250.06161	3.5
250.09839	3.4
251.07030	4.2
251.10617	0.8
252.07794	11.0
253.08492	2.6
256.07239	0.6
260.08286	1.2
261.09137	2.4
262.06247	0.7
262.09747	0.6
263.07028	3.6
263.09808	0.6
264.07819	5.0
265.04974	2.4
265.08548	16.5
266.09335	12.4
267.06689	0.5
267.10071	2.0
269.08218	0.6
275.10571	1.2
276.07571	0.7
277.08582	5.4
278.06204	0.6
278.09283	3.2
279.06528	1.2
279.09766	0.7
280.07312	12.2
280.10693	1.2
281.08066	7.1
281.11365	0.9
282.08722	0.8
283.09610	0.7
285.07492	1.2
285.10574	0.4
289.08627	0.7
291.06763	0.5
291.10129	0.6
292.07315	0.8
292.10736	0.9
293.08081	3.4
293.11673	12.6
294.08804	2.3
294.11996	0.8
295.09589	4.6
296.07056	0.5
296.10394	10.1
297.10965	1.2
299.05414	0.5
299.20145	0.5
300.09894	1.5
301.10516	0.6
303.09982	0.4
306.08920	0.8
307.09531	0.9
309.11200	3.8
310.11908	1.3
311.09235	0.9
311.12775	10.1
312.09686	0.9
312.13007	0.7
313.10617	1.4
321.11160	7.7
322.11581	0.6
323.09097	0.4
324.09872	2.0
325.10587	1.7
326.11374	0.6
327.12253	1.3
328.12732	0.6
335.21964	0.8
338.11423	0.5
339.12247	100.0
340.12732	9.9
341.13757	0.8
353.10040	0.6
353.13907	2.1
356.12451	0.7
371.14883	57.5
372.15460	3.8
389.14734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Diphysolidone
Peak:m/z	Relative Intensity
55.01859	0.4
55.05497	0.4
67.05489	0.4
69.07066	0.3
69.86632	1.4
71.01669	0.2
79.05492	1.6
81.07055	0.6
82.71914	0.3
89.57878	0.3
93.07020	0.3
95.04961	1.1
95.08604	0.5
105.07053	0.3
107.04947	8.4
107.08577	0.5
109.06500	0.6
109.10178	0.3
123.04431	1.8
125.05997	3.0
133.10120	0.3
133.57646	0.3
135.04436	0.3
135.05507	1.0
137.05971	100.0
138.06319	2.5
147.06471	0.5
149.06075	0.3
151.03957	0.4
151.07590	0.3
165.01833	1.7
179.03389	6.6
183.02885	2.5
269.07895	0.3
315.08606	38.8
316.08957	1.5
321.26416	0.3
340.01718	0.3
371.09235	0.5
371.14899	4.1
371.25711	0.6
372.14679	0.3
386.89215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
52.75046	0.6
55.01830	1.1
55.05468	0.6
67.05476	0.7
69.03376	0.9
69.07035	1.4
70.86472	1.7
71.94173	0.5
79.05450	1.3
80.81709	0.5
81.03383	0.5
81.07031	0.6
83.04967	0.5
85.02866	1.6
91.05415	0.8
93.06992	1.7
94.48251	0.7
95.04914	0.7
95.08568	1.1
97.06506	0.6
105.07003	0.6
107.04902	1.3
107.08548	1.9
115.05453	0.7
119.04957	0.8
119.08538	0.8
121.06455	2.5
121.10080	1.9
123.08025	1.1
131.04901	1.3
131.08528	0.6
133.10078	1.2
135.08060	0.7
135.11632	1.3
137.05937	1.6
145.06401	0.7
145.10056	0.8
147.04358	0.9
147.11693	4.2
149.09596	1.1
149.13268	0.9
153.06920	0.7
159.04333	0.6
159.08018	0.7
161.09593	0.7
165.06938	1.5
166.07671	0.6
167.07072	3.0
167.08212	0.6
173.13240	0.8
175.07518	1.4
177.06854	0.7
178.07732	2.0
179.08492	1.5
181.06441	1.6
189.07016	1.3
190.07683	0.8
191.08517	1.5
191.14302	12.2
193.06384	0.7
194.07291	3.2
195.07985	1.0
196.08936	0.6
203.08446	0.9
205.06425	1.5
206.07216	2.6
207.08185	2.8
208.08696	0.9
209.05934	2.0
209.09628	0.6
209.15411	4.2
210.06587	0.7
211.07494	0.6
215.08470	1.0
215.43600	0.6
217.08430	0.7
218.07266	2.3
219.08029	1.5
219.10118	0.6
220.08820	0.7
221.05984	3.3
221.09508	1.4
222.06717	4.5
222.10295	1.1
223.07507	2.2
224.08234	2.9
231.07996	0.7
232.08760	1.3
233.06142	0.8
233.09546	1.8
234.06706	3.8
234.10388	1.5
235.07556	4.0
236.08287	4.3
237.05334	2.7
237.09082	2.8
239.07062	0.8
239.10699	0.7
240.07614	1.0
247.07542	1.5
248.08244	1.2
249.05420	1.7
249.09100	12.7
250.06223	3.5
250.09871	2.8
251.06982	3.4
252.07800	9.8
253.08475	3.2
259.07422	0.7
260.08386	0.7
261.09113	2.3
263.06992	3.9
264.07816	4.5
265.04968	1.7
265.08557	17.3
265.12125	1.1
266.09296	10.7
267.06689	1.1
267.10132	1.5
275.10611	1.4
277.08545	4.4
278.06219	0.9
278.09293	3.5
279.06525	0.9
279.10297	0.7
280.07315	10.8
280.10660	1.2
281.08023	6.9
291.06577	0.5
291.10074	0.8
292.07233	0.6
292.10837	1.1
293.08118	3.3
293.11682	12.7
294.08838	1.6
295.09616	5.4
296.10361	10.3
297.11044	0.9
306.08752	0.8
309.11124	2.6
310.11755	1.1
311.12741	11.1
313.10806	0.8
321.11249	6.5
324.09937	2.8
325.10678	1.6
339.12247	100.0
340.08646	0.9
340.12762	10.8
353.13660	0.8
356.12216	0.8
371.14874	54.4
372.15201	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	371.1489
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
50.79850	0.2
51.91132	0.2
55.01855	0.6
55.05501	0.4
57.03402	0.2
57.07071	0.3
65.03922	1.7
65.83548	0.2
67.05493	0.8
68.99795	1.3
69.03408	0.3
69.07065	3.0
70.40795	0.8
71.04988	0.2
79.05497	2.1
81.03410	0.4
81.07040	0.8
83.04977	0.4
83.08618	0.2
85.02899	0.2
89.33266	0.2
91.05453	3.9
93.07036	1.0
95.04965	2.0
95.08593	0.3
101.06033	0.3
103.05460	0.7
105.03356	0.4
105.07028	5.4
106.04166	0.3
106.33411	0.2
107.04958	2.0
107.08568	0.8
108.02097	2.7
109.06522	0.3
111.04456	1.4
115.05433	0.3
117.06990	0.6
119.04930	1.7
119.08591	1.6
121.02876	0.8
121.03983	0.4
121.06503	1.6
123.04428	2.4
127.03860	0.2
129.07031	0.3
131.08578	0.4
133.02829	0.5
133.06482	3.0
133.10094	0.6
135.04422	0.9
135.08086	0.4
137.02335	6.7
137.05960	1.5
142.07790	0.8
145.06491	0.5
145.10147	0.8
147.04422	0.6
147.06482	0.3
147.08015	0.5
147.11667	0.6
149.05980	2.8
149.09636	0.3
151.03897	100.0
152.04224	2.4
154.02582	1.3
157.10124	0.6
159.11751	0.2
160.08815	0.5
161.02328	0.5
161.05966	0.6
163.03925	3.7
163.07541	6.9
164.04324	0.2
165.05461	0.9
167.07019	0.5
173.09578	1.5
175.07509	0.6
175.11244	0.9
177.05447	3.3
177.09142	0.4
177.12701	0.3
179.03391	16.6
180.03752	0.5
181.04884	0.5
187.11092	0.5
191.07040	0.6
191.10713	1.1
193.12230	0.5
205.12234	22.8
206.12617	0.6
219.10158	11.3
220.10443	0.3
233.11720	7.9
234.12074	0.3
257.08105	0.9
285.07632	1.2
297.14758	0.7
303.08615	2.3
304.09265	0.2
325.14319	4.5
326.90866	0.2
343.15405	1.6
344.16043	0.2
346.15323	0.2
353.13901	1.7
371.14880	10.3
371.25195	0.3
372.15274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.33013	2.2
55.01871	3.5
55.05507	3.5
56.96566	17.5
57.03443	10.4
58.56745	1.8
59.05000	4.0
59.05287	1.7
60.04518	3.3
61.02915	7.9
65.53409	2.0
67.05493	3.0
69.03425	23.0
69.07082	1.9
70.06583	4.3
70.64659	6.9
71.04986	5.2
73.02922	15.6
73.04758	11.3
79.05485	2.3
81.03423	10.3
81.07056	3.3
83.04967	4.8
84.08139	3.8
84.96003	2.4
85.02905	56.4
85.03431	3.4
86.03265	2.6
87.04449	4.0
91.03955	5.4
91.05801	100.0
93.03748	3.4
93.07027	2.9
94.06592	4.5
95.04993	2.8
97.02880	31.9
97.06520	2.2
98.97577	21.9
99.04440	2.7
101.02404	3.0
101.06007	4.4
105.06999	2.0
107.04997	3.4
109.02873	6.9
110.06020	2.7
111.04438	3.2
114.07388	3.5
115.03940	5.3
116.98614	18.7
117.03354	2.2
119.01912	2.4
119.04975	4.1
121.06489	2.4
121.10127	2.5
122.06043	6.6
123.04456	4.6
124.07496	2.5
127.03922	16.7
128.07050	3.4
128.98615	5.9
129.05475	3.7
130.04953	1.9
133.02873	2.5
133.06509	2.7
134.99675	15.3
136.06165	15.7
137.05960	13.7
140.07118	2.7
143.00179	3.1
145.02832	5.6
145.04938	14.2
146.99651	6.8
147.03329	2.7
147.04404	6.5
147.06569	4.3
149.01176	2.9
149.04630	2.9
149.05959	2.2
150.05498	56.3
150.06676	4.3
151.03928	3.9
152.07104	2.7
153.00648	2.4
158.99623	6.6
161.01201	2.8
161.02936	3.1
161.04802	2.6
162.99188	2.4
163.03925	2.7
163.07539	2.6
164.07021	4.6
164.10747	4.5
167.05579	4.3
167.07007	3.6
169.03485	3.7
170.99675	2.4
173.02936	2.4
174.04320	2.1
175.04303	2.4
177.00690	13.9
177.04260	2.9
177.05652	10.8
179.03450	7.6
179.07013	3.5
180.06447	8.6
183.06065	2.3
189.00647	4.2
189.04314	2.6
191.03986	2.1
192.06462	5.4
195.01825	1.9
201.00757	2.6
203.05299	2.2
205.03593	2.1
209.06815	17.2
209.09167	22.7
209.15405	2.6
210.07581	3.0
219.01811	10.0
227.06961	2.3
231.05363	2.0
233.06889	3.2
236.06123	5.2
237.02797	20.7
245.06839	6.5
245.56633	2.7
258.70380	2.2
264.08521	2.6
266.99899	5.5
268.97797	20.3
281.09845	16.4
281.60205	2.2
283.03061	3.2
285.00961	30.0
290.06351	2.4
291.07379	3.4
299.06198	4.7
303.02106	12.5
309.08578	3.9
329.08362	3.3
335.10028	2.4
347.11649	4.2
355.06967	32.4
356.07028	3.5
362.12308	16.1
362.62396	4.3
371.13519	8.6
372.12607	4.7
372.16864	2.1
373.08121	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Dihydroisoderrondiol
Peak:m/z	Relative Intensity
50.72249	0.5
55.01859	1.5
55.05500	1.4
56.96552	0.6
57.07056	0.5
58.27511	0.5
59.04984	1.1
66.05848	0.5
67.05485	1.6
68.99793	1.2
69.03413	1.0
69.07056	1.7
71.04964	0.5
79.05489	2.1
79.76237	0.5
81.03430	0.6
81.07039	2.7
83.04972	0.9
85.02903	0.5
90.11855	0.5
91.05428	1.4
93.07038	1.6
95.04978	1.0
95.08588	1.9
97.06538	0.7
101.06040	1.0
104.29075	0.5
105.07005	2.3
107.04948	1.1
107.08565	1.9
109.06517	1.3
109.10141	1.4
117.06952	0.6
119.08570	1.6
120.66632	0.6
121.02867	2.1
121.10139	1.4
123.04461	1.1
123.11723	0.7
129.05492	0.9
129.06975	0.5
131.08559	1.2
133.06436	0.5
133.10107	2.2
135.04388	1.3
135.11766	0.6
137.02336	1.5
137.05983	1.6
139.11186	0.6
141.01814	5.8
145.10120	0.8
147.04341	0.6
147.06516	1.4
147.11661	1.1
149.09654	0.7
149.13373	0.5
159.11615	0.8
161.02333	1.1
161.05951	2.1
161.09566	0.6
161.13254	1.0
163.03891	0.7
163.07571	0.5
165.01833	18.1
165.09126	0.5
167.03369	0.7
167.07031	3.7
173.05981	0.6
175.07457	0.6
177.01883	1.0
177.05522	0.9
179.03419	1.7
179.07037	0.6
179.14311	0.7
183.02887	23.5
187.07559	0.9
191.03380	0.6
201.05470	1.0
204.04144	1.0
205.06650	0.7
205.08463	0.6
205.54453	0.6
207.13866	0.6
209.15401	0.6
211.07413	0.6
219.06418	3.6
219.08252	0.5
222.06702	0.8
229.05006	1.5
237.05476	0.6
237.09300	0.8
241.04826	0.6
247.09650	0.7
249.09091	0.9
251.07056	0.8
251.10696	0.6
253.05035	1.4
255.06557	1.0
255.10002	0.7
261.09143	0.8
264.64905	0.6
265.04843	0.8
265.08557	2.8
271.05957	0.6
277.08591	0.7
279.10175	0.6
280.07419	0.7
281.04453	11.5
281.07587	0.7
281.11154	0.6
282.08862	1.1
283.06149	0.9
283.09589	1.2
295.09595	0.5
297.11215	8.0
299.05490	26.0
300.05948	1.0
301.10648	0.8
307.09586	1.2
309.10864	0.7
311.05627	3.2
311.08725	0.9
313.07004	1.7
325.06989	0.7
325.10730	0.9
335.09143	1.2
338.07773	0.7
339.12271	3.8
341.13934	0.6
353.10138	10.2
354.10413	0.8
371.11206	100.0
372.11536	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67059	5.3
55.05496	24.5
57.03436	45.7
57.07072	7.5
66.53252	5.7
67.05499	84.6
69.07049	31.2
69.64091	48.2
71.05000	10.1
76.85220	6.1
79.05492	75.9
81.07050	100.0
83.08611	16.7
85.06561	7.0
91.05481	56.5
93.07045	83.3
95.04967	8.5
95.08598	84.0
96.40278	6.1
97.06530	11.0
98.20760	6.8
99.08084	8.0
105.07008	51.0
107.04950	8.8
107.08582	62.9
109.06501	11.5
109.10138	39.6
111.08121	7.1
116.00761	6.9
117.06992	11.0
117.80975	6.1
119.08562	49.7
121.10139	53.8
123.08072	10.5
123.11710	11.8
125.09562	7.0
131.08560	23.6
133.10152	30.7
135.11684	32.1
137.09595	11.0
143.08522	9.8
145.10121	28.2
147.11674	18.1
149.09628	9.2
149.13232	16.7
157.10246	8.2
159.11636	15.8
161.13242	17.0
171.11725	9.4
173.13245	14.9
175.14832	9.7
187.14803	26.8
190.95505	9.3
195.11783	6.9
199.14827	9.6
205.15924	16.6
208.96550	8.0
219.17470	9.3
221.19038	7.1
232.96431	12.2
233.08099	6.2
241.19568	7.3
250.97495	12.5
255.97937	7.3
259.20517	37.4
267.76764	6.2
275.18491	6.1
277.21600	62.0
313.07001	11.9
338.34238	5.8
351.25284	68.5
369.13251	12.9
369.26825	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05494	2.4
56.96555	2.5
57.03423	2.6
57.07061	1.7
61.02911	2.9
61.18742	1.5
67.05488	3.2
69.03422	6.0
69.07086	1.9
70.06582	2.1
71.04987	2.1
71.58193	3.2
73.02899	1.8
73.04745	3.4
79.05493	2.5
81.03408	4.9
81.07054	25.2
83.04975	2.3
85.02892	19.7
85.06543	5.2
86.50838	1.8
87.00834	1.7
91.05846	16.5
93.07056	4.2
97.02875	6.4
98.97600	2.9
98.98473	2.2
99.04478	2.8
107.04955	3.8
109.06511	40.1
111.04430	7.7
111.08002	1.7
119.04947	3.0
122.05997	1.9
123.04420	3.7
127.03893	5.7
127.07563	13.1
133.02821	2.5
137.05972	100.0
138.06354	2.3
145.02838	1.8
145.04884	2.0
145.08607	4.7
146.99629	2.4
147.04472	2.5
147.08072	2.6
155.07016	27.6
162.09135	2.8
163.03867	1.9
165.05440	2.2
173.08089	99.2
174.08444	1.6
177.05473	3.1
178.05769	3.0
179.03444	7.4
190.08632	4.8
191.09132	51.9
191.10815	3.2
196.08932	1.5
208.09726	4.9
227.06030	2.3
237.02840	3.2
268.97733	6.6
285.01031	4.9
303.01831	3.7
355.06989	8.7
370.15222	3.0
371.13522	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79100	0.5
53.03938	0.9
53.23534	0.4
55.01861	5.6
55.05294	0.5
55.05510	5.4
55.43034	0.6
56.96550	1.2
57.03440	3.1
57.07065	1.3
66.95440	0.5
67.05494	6.5
68.98756	0.5
69.03413	1.6
69.07065	6.5
70.57772	0.5
70.89881	1.3
71.08620	0.7
79.05485	5.1
80.39285	0.5
81.03384	1.3
81.07050	26.4
82.07372	0.7
83.04978	2.8
83.08602	2.3
85.02881	0.8
85.06513	0.8
86.07615	0.5
90.24992	0.6
91.05466	4.0
93.07052	7.3
95.04930	1.3
95.08601	6.2
95.38163	0.5
97.06519	2.1
105.07022	4.2
107.04923	0.9
107.08588	5.9
109.06514	11.0
109.10146	4.5
111.04432	19.1
111.08063	1.4
115.05493	0.6
117.06995	0.8
119.04907	1.6
119.08566	6.2
121.06470	0.9
121.10155	4.2
122.15311	0.6
123.08053	2.8
123.11680	1.8
125.05975	6.0
125.09589	0.8
127.11372	0.6
129.07011	0.7
131.08530	3.2
133.00658	0.6
133.10101	5.2
135.08051	3.4
135.11694	4.8
137.05966	100.0
137.09598	1.4
137.13249	1.7
138.06305	2.3
143.08575	1.6
145.10120	2.3
146.33597	0.5
147.04395	1.4
147.08047	1.5
147.11681	7.0
147.93738	0.6
149.09627	3.8
149.13254	1.8
151.07552	2.5
151.11182	1.2
157.10138	2.6
159.07928	0.7
159.11630	1.0
161.09608	7.5
161.13254	2.1
163.11182	3.2
165.09120	2.8
165.12672	0.9
167.10712	1.1
171.11694	1.5
173.13309	0.8
175.03923	2.0
175.11143	4.6
175.14809	1.6
177.12793	0.8
179.10654	1.9
185.13184	1.0
189.12717	1.6
190.08514	0.6
190.95392	1.3
191.10583	1.0
193.12242	1.6
201.89331	0.5
203.17963	6.9
205.19572	0.9
207.06429	3.2
208.96445	1.3
213.16356	3.7
221.19016	2.6
223.14874	1.1
229.06206	0.7
231.17404	7.9
232.96483	0.6
241.15865	1.5
249.18513	11.8
250.97548	1.2
257.05582	0.6
277.17972	65.8
278.18387	2.6
295.19016	32.7
296.19312	1.2
351.21600	13.5
369.13129	0.8
369.22778	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18807	1.3
53.03931	2.6
53.12469	1.7
55.05499	5.3
57.03431	2.0
64.17577	1.4
67.05489	2.1
69.03426	21.8
69.07045	1.7
70.79062	2.4
70.79408	2.4
71.04986	1.8
73.02905	1.3
79.05487	9.9
81.03397	7.5
81.07044	2.1
83.04971	6.8
85.02906	19.4
91.05466	11.4
93.07031	3.9
95.04962	4.3
95.08552	3.0
97.02867	5.4
99.04424	2.2
103.05460	4.3
105.07026	8.7
107.04990	1.8
107.08600	10.8
109.02861	3.9
109.06477	2.0
117.06993	2.0
119.04929	9.8
119.08569	7.2
121.06487	13.6
121.10132	5.4
123.08058	7.0
127.03889	4.2
131.08553	4.0
133.06487	100.0
133.10126	5.8
134.06900	1.6
135.08044	8.3
135.11668	1.6
137.05949	6.1
137.09634	1.8
140.49199	1.5
143.08531	1.9
145.04936	2.4
145.10039	3.6
147.04396	6.8
147.08020	5.0
147.11673	6.4
149.09593	3.7
151.07535	6.7
158.10945	3.4
159.08049	4.1
160.08784	1.8
161.05934	1.5
161.09662	4.0
161.13260	3.6
163.11165	20.2
173.13249	5.9
174.10362	6.1
175.03906	16.3
183.69350	1.6
189.12752	41.9
190.13141	1.8
191.14293	53.5
192.14558	2.5
207.06508	25.2
207.13812	52.0
207.15730	3.4
216.87126	1.5
243.13893	1.9
243.99049	1.5
351.10806	5.5
369.14374	2.0
369.18942	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	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01878	1.3
55.05505	4.3
55.73978	1.4
57.03438	2.2
58.15543	1.3
61.02919	3.3
63.47020	1.1
66.09291	1.2
67.05498	3.6
69.03423	25.0
69.07053	3.7
71.04957	1.6
71.55956	2.0
79.05492	10.8
81.03414	6.9
81.07048	4.4
83.04960	5.6
83.08604	2.0
85.02894	17.9
91.03978	1.8
91.05457	11.1
93.07035	5.3
95.04943	3.9
95.08604	2.9
97.02888	5.8
97.06474	2.0
99.04448	3.5
103.05431	3.2
105.01736	1.2
105.07015	12.6
106.76868	1.4
107.04943	2.6
107.08589	11.5
109.02853	3.1
109.06516	3.3
109.10123	2.6
113.79527	1.3
119.04977	6.4
119.08558	8.6
120.28941	1.1
121.06503	12.1
121.10146	5.6
123.08018	8.5
125.05949	1.4
127.03877	3.1
131.08553	5.2
132.05577	1.2
133.06480	100.0
133.10114	6.2
134.06845	2.0
135.08031	9.1
137.05963	8.8
137.09605	2.3
143.08525	1.9
145.04968	3.1
145.06349	1.6
145.10101	3.4
147.04422	5.5
147.08026	4.9
147.11641	6.1
149.09560	8.0
151.07561	6.3
151.11180	1.4
159.08057	4.6
161.06021	2.2
161.09576	3.7
161.13223	2.5
163.11179	17.3
165.09088	1.4
167.06992	2.2
171.11745	1.9
173.13260	5.1
174.10449	1.8
175.03900	13.2
179.06981	2.0
181.04907	1.5
189.12735	36.8
190.13184	1.4
191.14288	46.5
192.14688	2.5
207.06445	17.2
207.13802	60.6
208.06381	2.0
208.14156	2.2
215.06845	1.7
243.13770	1.6
250.39148	1.4
351.11182	3.2
369.13101	4.7
369.19110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1694
Annotation	Lespeflorin G8
Peak:m/z	Relative Intensity
53.03936	1.8
53.30344	0.9
67.05492	4.3
68.55448	0.9
68.99776	1.9
69.07063	73.1
69.36108	11.0
79.05503	4.7
81.07044	4.9
85.02914	1.4
91.05470	11.0
93.07049	4.8
95.04958	4.9
98.20753	1.5
103.05475	5.2
105.07008	3.1
107.04944	40.6
107.08595	1.7
108.05245	1.1
109.06495	1.9
109.34846	1.0
117.06982	1.7
119.04903	3.4
119.08591	1.2
121.05649	2.0
121.06492	24.5
123.04409	21.8
123.08031	1.2
124.05242	1.5
125.05967	5.2
131.04913	3.1
133.06471	3.9
133.10130	1.2
134.03604	2.9
135.04402	22.8
135.08040	5.2
137.05965	94.0
138.06731	2.9
141.05429	2.4
145.02809	1.1
145.06528	1.7
147.04391	3.7
147.07925	1.0
148.05167	2.1
149.05968	27.4
149.09607	1.3
150.06750	12.0
151.03891	13.8
151.07530	8.8
153.06960	1.4
157.10046	1.6
159.08018	1.4
160.05150	1.6
161.05931	4.9
162.28465	1.0
163.07527	15.7
165.05437	2.2
165.06929	1.0
167.08420	0.9
170.07196	1.3
173.09494	1.1
174.06761	2.8
175.07541	7.8
175.11174	7.0
176.04643	1.4
177.05466	20.0
177.09059	7.1
181.06497	6.3
182.07158	1.2
183.08104	1.4
187.07545	3.8
188.08232	1.6
189.09111	4.9
190.95320	1.6
191.10674	5.4
195.08069	2.9
197.05949	2.2
198.06732	2.8
199.07475	1.4
203.10654	2.8
205.12198	6.0
208.05255	1.3
208.96350	1.1
209.05818	1.1
210.06813	1.1
211.07510	4.5
212.08266	3.5
213.09071	11.8
215.06889	1.2
217.12126	5.7
223.07527	2.0
225.09195	1.9
226.06177	6.4
227.06973	1.7
227.10651	2.3
228.07668	1.9
229.08496	7.3
231.10027	1.5
232.96338	1.9
239.07047	2.2
240.07820	4.8
241.08562	7.8
242.09349	1.8
243.06471	1.1
243.10060	2.5
245.11630	1.2
250.06142	1.0
250.97513	1.5
251.10762	1.6
253.08437	1.0
255.10133	2.9
257.08032	4.0
258.08859	2.7
259.09613	1.7
267.06354	1.3
269.08057	1.5
271.09595	4.6
272.10406	44.3
273.11197	35.5
273.14230	1.2
274.11279	1.4
279.10059	1.0
281.08032	2.4
281.15335	1.6
282.08630	1.1
283.09708	6.9
285.11087	1.9
294.12350	1.8
295.13235	1.5
299.09140	2.1
300.09827	7.8
301.10678	61.7
302.11002	2.7
309.14883	4.3
310.15588	3.7
311.12726	1.4
315.53485	1.0
321.11093	1.5
340.16479	2.3
341.17441	61.9
342.17786	3.1
351.15839	4.1
369.16934	100.0
370.17206	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	369.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05490	0.7
57.03435	2.4
59.04982	0.4
59.06087	0.4
59.97063	0.3
60.61432	0.3
61.02901	1.4
62.23697	0.3
67.05488	1.5
69.03423	4.8
69.07057	0.7
69.91924	0.4
70.06577	0.5
70.41955	0.7
70.42348	0.8
71.01321	0.5
71.04984	0.5
73.02917	3.9
79.05486	0.4
81.03384	0.9
81.07027	0.9
84.04496	2.8
84.08099	0.5
85.02897	11.4
86.09693	0.7
91.03960	0.8
91.05450	3.5
93.06548	0.5
93.07047	5.9
94.02870	0.6
94.06531	0.8
95.00832	0.4
95.01324	5.0
95.04966	1.8
95.08581	1.1
97.02883	4.9
97.06505	0.6
97.08699	0.4
98.97552	0.3
99.04454	0.6
105.06996	0.7
107.08590	0.8
109.02870	1.2
109.06491	0.7
109.10167	0.4
110.06032	1.3
111.08067	4.6
112.03958	25.9
115.03918	2.9
117.06986	0.4
119.04960	0.9
119.08546	1.0
120.08080	0.8
121.06495	1.9
122.06009	1.4
123.04415	0.5
124.07562	0.8
126.11659	0.4
127.03908	3.2
133.04939	1.1
134.09641	3.4
135.08057	1.8
135.11671	0.8
136.07576	5.0
137.05963	2.3
138.05426	0.6
138.09129	0.6
140.07068	1.9
144.08101	1.0
145.02834	1.2
145.04945	3.9
145.06097	0.6
145.06474	0.6
148.07585	0.5
149.05971	0.7
150.09111	0.8
151.07521	0.9
152.10701	2.8
153.12750	1.1
154.08588	1.3
160.07573	0.5
162.05516	2.6
162.09123	25.8
163.03836	0.5
163.06003	1.8
163.07521	2.3
163.09503	0.8
164.07050	1.7
166.04990	1.6
167.06985	1.2
171.10155	0.4
171.13777	0.4
172.07541	1.0
175.03915	0.8
177.05461	1.6
178.08578	1.1
180.06648	0.7
180.10185	23.2
181.06096	0.6
182.08151	0.6
189.10205	0.8
189.12802	0.6
189.27095	0.4
190.08629	12.7
191.09372	1.4
193.19667	0.5
194.09386	0.7
207.06477	1.1
207.11287	3.7
207.13327	0.5
207.15668	0.5
208.09674	100.0
209.10030	2.7
223.06041	0.5
259.10593	0.6
273.12317	1.2
275.13901	1.5
283.10852	0.6
289.11868	0.6
291.13333	0.9
295.09625	0.5
295.12878	9.2
301.08383	0.6
301.11810	10.6
302.10138	0.5
319.12863	59.2
320.13223	1.4
337.13882	4.7
351.11478	0.6
351.15430	2.7
369.08328	1.9
369.12076	0.6
369.16614	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	369.1331
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
53.44737	0.1
56.96555	0.1
67.05476	0.2
69.07053	0.2
71.63226	0.2
78.04694	0.2
81.07027	0.7
81.98957	0.1
91.05470	0.2
93.07008	0.2
95.08593	0.3
105.07018	0.2
106.04151	0.4
107.08582	0.2
109.10110	0.3
113.60760	0.1
117.03366	0.2
119.08569	0.2
134.03624	1.8
151.03877	0.4
165.01807	0.4
172.94362	0.2
175.35222	0.1
178.20526	0.1
183.02873	0.6
189.90321	0.2
190.95348	0.5
208.96475	0.5
213.05400	0.6
214.06171	0.6
216.39946	0.1
225.05347	0.3
228.04208	0.2
232.96373	0.5
241.04924	3.3
242.05696	1.5
250.97478	0.4
253.04927	0.3
267.34766	0.2
269.04440	0.7
270.05222	4.4
281.04535	0.2
285.07544	0.3
297.03851	0.6
298.04703	38.2
299.05048	1.1
313.07028	100.0
314.07397	3.0
368.31287	0.3
369.13293	9.5
369.23953	0.3
369.27914	0.3
369.31671	0.6
369.78784	0.2
370.13651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
55.01861	0.6
55.05497	0.4
67.05495	0.8
69.07063	0.7
70.43103	1.1
73.04994	0.4
81.07092	0.6
83.04956	0.3
91.05423	0.9
93.07030	1.0
95.04926	0.5
95.08581	0.6
98.20863	0.5
101.94471	0.3
102.57734	0.3
103.05466	0.4
105.07018	0.5
106.67090	0.3
107.04932	0.5
107.08598	0.5
109.10155	0.4
119.08575	0.5
121.02870	0.4
121.06506	1.4
128.19493	0.3
131.08499	0.3
133.10114	0.4
134.03642	3.9
141.01770	0.7
145.10068	0.4
147.04411	0.6
149.02306	0.3
151.03874	1.5
152.35747	0.3
165.01831	2.5
179.03409	0.4
183.02884	2.8
190.95351	1.1
191.03389	0.4
200.04581	0.5
201.05429	0.4
208.96431	0.9
226.06104	0.4
232.96432	1.0
242.05800	1.0
250.97516	1.2
253.04787	0.6
259.06003	0.4
269.04446	4.6
270.05185	3.8
281.04483	1.1
285.04074	0.7
285.07684	0.6
297.00507	0.5
297.03882	7.8
298.04669	8.8
313.07034	100.0
314.07361	3.4
322.95694	0.4
369.13300	9.4
369.23697	0.5
369.27890	0.6
370.13300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	32.6
69.07063	6.4
69.63782	11.6
71.08631	38.8
73.06539	6.0
74.36667	1.4
75.36411	1.8
76.29447	1.7
76.34485	1.5
79.05469	2.5
80.46908	1.9
81.07062	1.7
82.56505	1.3
83.08607	1.7
89.06030	80.7
91.05476	1.8
93.07034	2.3
95.08578	2.0
98.21442	3.0
101.38391	1.4
101.87798	1.5
107.04954	3.3
107.07080	4.6
107.08576	1.6
119.08514	1.7
130.08673	4.1
133.08600	40.9
151.09631	3.6
151.19250	1.3
157.15887	6.8
177.11256	9.9
187.14745	1.7
190.42369	1.5
190.95399	2.3
201.18456	12.3
208.96411	3.2
214.95450	1.9
232.96426	4.4
237.33171	1.5
239.14893	16.7
245.21216	3.6
250.97505	2.4
286.06473	1.6
297.07632	2.5
341.14084	2.0
351.27414	43.5
368.12366	2.0
368.31363	100.0
369.13251	13.2
369.31851	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	369.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	1.9
57.03419	1.0
61.02898	0.9
69.03410	4.4
69.07066	1.3
70.96509	2.2
70.96841	1.4
71.04965	1.5
73.02912	2.0
81.03396	3.4
81.07036	1.1
85.02902	8.6
86.03230	1.9
87.00816	1.2
97.02882	4.0
97.37152	0.9
98.03201	1.4
98.97555	1.6
105.01852	4.2
107.04953	1.6
109.02827	1.0
111.04380	1.4
116.98598	1.7
117.03378	2.6
127.03910	3.6
128.04300	1.2
132.43008	1.2
137.05981	1.6
138.58276	1.1
145.02882	2.8
145.04961	2.8
150.96912	1.2
158.97366	1.2
161.05965	1.1
163.03831	1.0
167.03397	1.1
167.06984	1.1
171.13872	1.5
177.00616	1.0
177.05476	8.5
185.04240	2.2
206.05557	3.2
207.06325	6.2
231.04961	1.3
234.98962	1.9
237.02896	2.4
243.24742	1.2
260.77768	1.0
279.49478	1.0
329.37115	1.4
369.11539	100.0
370.11890	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01875	0.4
56.08625	0.2
56.96575	0.2
57.03428	0.9
61.02931	1.2
68.99812	0.2
69.03424	2.4
70.18401	0.8
71.04986	0.4
72.08161	0.3
73.02908	0.9
76.61221	0.1
79.05454	0.2
81.03414	1.1
83.04977	0.2
85.02901	6.4
87.04466	0.4
91.03967	0.6
97.02893	2.3
98.97568	0.3
99.04466	0.5
105.03459	0.2
109.02875	0.5
116.98608	0.2
125.06218	0.2
127.03918	1.5
132.04451	5.4
145.02904	0.2
145.04950	1.3
155.04649	0.3
160.03957	0.4
161.04733	0.2
177.05457	0.4
178.04988	58.9
179.05341	2.1
188.07190	0.2
189.07379	0.3
206.04477	100.0
207.04828	3.7
212.06187	0.4
220.37045	0.2
232.57520	0.2
234.57632	0.2
237.02713	0.2
368.09625	1.0
369.11978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.3
55.05505	25.4
56.59480	4.1
56.72351	4.5
57.07063	13.0
63.48034	4.1
64.30550	3.7
65.03946	6.3
67.05502	49.1
69.03432	4.8
69.07071	29.8
71.01031	10.6
71.04990	8.3
72.29765	4.3
74.19579	4.9
79.05480	32.3
79.94579	4.4
81.07058	77.1
83.04998	6.1
83.08620	12.9
85.06546	6.6
91.05480	60.4
93.07046	83.0
95.04984	40.5
95.08605	90.0
97.06538	15.8
105.07030	99.7
107.08587	81.9
109.06503	19.6
109.10152	54.0
111.08067	7.7
115.05463	7.7
116.06303	4.4
117.06995	21.3
119.08572	100.0
121.06523	11.1
121.10144	51.6
123.08039	9.0
123.11755	22.4
128.06195	10.1
129.06998	15.6
130.07782	8.4
131.08562	60.5
132.09288	5.0
133.10126	56.6
135.08089	24.4
135.11676	31.7
137.09612	9.5
137.13310	9.7
141.06944	7.4
142.07794	16.1
143.08565	46.4
144.09334	11.4
145.10129	83.2
147.08058	11.9
147.11679	20.1
149.09575	23.5
149.13254	8.6
152.19853	4.3
155.08578	14.5
156.09340	12.8
157.10144	52.0
158.10866	9.1
159.08078	8.6
159.11708	36.0
161.09621	42.8
161.13229	19.5
161.14450	4.9
163.11134	7.8
163.14807	5.4
165.68250	4.5
166.50296	5.1
168.09343	7.8
169.08710	4.6
169.10153	14.4
170.10892	8.1
171.11717	31.7
172.12386	8.5
173.09621	12.4
173.13289	24.5
175.11168	6.8
175.14853	24.6
179.08514	10.1
181.10138	15.4
182.10970	4.7
183.11737	26.6
185.09608	5.6
185.13266	20.5
187.11192	5.0
187.14865	25.8
189.16306	7.3
194.10960	9.8
195.11687	16.0
197.13313	23.0
199.14830	15.7
201.12772	10.5
209.13231	22.6
211.14893	11.5
212.15424	5.5
213.16281	5.8
215.17953	5.7
217.19330	5.3
221.13138	5.9
223.14957	6.3
225.16371	6.7
227.14336	26.7
237.16298	5.2
239.17987	6.5
240.18916	5.5
255.17517	9.3
257.19034	8.4
263.18100	5.3
349.25052	8.8
351.19159	4.6
367.26215	17.1
367.33734	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01857	2.0
55.05527	9.5
57.03419	4.9
57.07071	1.8
59.04995	1.8
61.02925	2.3
67.05503	5.8
69.03426	7.8
69.07064	13.5
71.04987	30.8
71.24889	4.2
73.02920	2.2
79.05499	9.1
81.03428	5.1
81.07053	68.8
82.07359	4.5
83.04967	6.8
83.08627	2.5
85.02898	24.4
91.05446	3.3
93.07034	7.4
94.07376	2.7
95.04955	4.5
95.08572	4.0
97.02885	6.0
97.06527	7.4
97.10147	2.3
98.97564	2.3
99.08097	4.4
101.09649	2.9
105.07011	3.8
107.08592	17.6
108.08919	5.1
109.02890	2.3
109.06538	4.0
109.10153	19.3
110.10464	2.2
111.08049	2.3
111.11716	5.4
117.99703	1.7
119.08627	1.7
121.06507	2.1
122.06025	3.5
123.04366	2.1
123.11712	19.4
124.12055	2.6
127.03909	4.9
133.10139	6.1
139.11177	9.1
145.04950	5.1
145.83202	1.7
147.09171	11.6
151.11180	29.4
152.11520	5.2
154.05098	2.0
157.12242	19.6
167.07036	2.1
169.12242	35.8
171.10158	2.3
178.04988	2.2
179.83377	1.8
187.13290	100.0
188.13600	2.7
206.03896	2.3
245.12805	2.3
271.10693	2.5
276.71930	1.7
281.14996	17.4
323.11108	3.1
335.12332	2.6
367.13895	6.3
368.09171	2.2
368.13400	2.3
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
50.45678	2.2
55.01858	5.3
55.05514	16.9
56.96556	6.1
57.03439	24.8
60.67111	2.2
64.01712	2.4
64.31472	2.4
65.03897	3.1
67.05504	31.4
68.56107	2.1
69.03427	3.1
69.07058	12.6
71.04987	6.1
71.20947	5.3
71.21294	3.2
73.02901	2.3
79.05485	33.2
81.07057	38.6
83.04943	3.2
83.08605	8.8
85.06543	7.7
89.08050	2.8
91.04961	3.3
91.05480	40.0
93.07043	44.4
95.04945	7.7
95.08065	3.2
95.08601	31.7
97.06509	5.9
97.10162	4.6
97.18537	2.9
99.04437	2.7
99.08070	3.9
105.07030	48.1
107.04951	3.7
107.08580	26.2
109.06519	11.5
109.10150	10.8
111.08043	5.1
113.06013	4.3
117.07002	11.6
119.08577	36.3
121.10154	17.9
123.08042	5.4
123.11694	3.1
125.09634	3.8
129.06985	10.8
131.07028	6.9
131.08553	26.0
133.10114	21.0
134.03638	2.5
135.08070	3.5
135.11679	10.3
137.09587	4.2
143.08574	15.3
145.10107	26.7
147.11653	25.3
149.09596	11.4
151.11125	2.6
155.08466	2.9
157.10109	10.2
159.11703	32.0
161.09624	3.7
161.13246	6.8
163.11211	7.9
165.12575	3.3
169.10211	2.9
173.09601	3.8
173.13245	11.7
175.14908	5.5
177.12750	3.0
183.11697	4.6
185.13245	25.8
187.14819	5.3
189.12785	3.3
197.13208	4.1
201.16405	8.3
203.14284	20.1
205.15887	4.0
213.16452	2.9
219.17456	31.4
221.04356	3.3
239.17987	10.4
257.19019	22.6
275.20053	76.1
276.20316	3.9
277.18057	3.3
281.08087	5.3
293.20984	7.3
295.19144	2.9
296.02481	2.8
298.04745	6.4
309.07596	8.1
313.07190	12.3
321.10056	4.7
325.07071	5.0
331.22702	2.9
337.07034	9.6
338.07751	4.0
349.10522	3.4
349.23706	65.7
352.09402	15.2
367.11746	100.0
367.24274	12.0
367.28677	4.9
368.12219	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	367.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01868	3.2
55.05505	40.0
56.09314	1.9
56.96556	4.7
57.03434	12.9
59.04979	2.1
60.54233	1.5
61.02926	8.8
66.05682	1.6
67.05492	3.3
67.21752	1.7
67.31065	1.5
69.03419	31.0
69.07051	4.9
71.04983	10.1
71.59673	3.1
73.02914	16.8
79.05461	5.8
81.03404	16.2
81.07040	15.7
81.70903	1.7
83.08614	92.6
85.02898	56.3
86.09689	2.6
87.00819	19.9
91.03949	2.0
91.05453	4.1
93.07036	5.0
95.01326	2.3
95.04939	2.7
97.02894	24.3
97.06505	2.0
98.97571	2.8
99.04436	6.8
101.09647	66.1
103.05488	1.8
104.96992	1.9
105.01850	25.5
105.06994	3.6
107.04927	2.0
107.08581	3.9
109.02868	12.4
109.10149	3.0
113.02382	2.2
115.03913	6.7
116.98578	1.9
119.10676	14.2
122.05991	3.9
123.04444	2.8
123.11698	4.2
127.03911	29.5
129.28053	2.0
129.41241	1.7
131.04932	3.3
131.08603	2.5
133.04955	6.0
134.99644	2.7
139.11163	2.5
140.07033	5.8
145.04936	13.0
145.06442	2.3
145.10179	1.9
147.04501	1.6
147.09158	64.2
151.03867	2.6
151.11131	7.2
154.04970	2.5
157.12204	3.9
159.02893	4.2
159.04422	2.1
159.09166	4.0
163.09235	1.7
167.07034	5.7
169.12250	6.3
182.08115	3.9
183.41995	1.7
187.13242	11.5
192.07823	4.5
193.08618	1.9
205.08574	2.4
208.09668	2.2
216.97937	1.7
219.11369	3.0
222.07397	2.7
231.04916	5.6
233.12833	1.7
237.02800	2.3
245.12901	8.6
246.98962	3.0
263.13779	3.7
281.14938	100.0
293.09009	2.4
307.01254	2.9
317.11139	2.5
322.76102	1.6
323.11261	7.1
324.15497	4.2
335.12079	3.9
350.13397	19.5
367.09747	4.6
367.13831	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	367.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
54.23283	2.5
54.52449	2.8
55.01850	6.9
56.96544	5.1
57.03417	4.3
60.04499	6.0
67.05495	3.4
67.24754	3.0
69.03401	10.0
69.07059	4.1
70.06577	3.9
71.61124	3.8
73.02897	8.0
78.01181	2.7
79.05473	6.6
81.03400	5.0
81.07049	6.8
83.08610	3.4
84.04494	3.2
84.08167	3.2
85.02895	26.8
86.03240	2.9
87.04433	2.6
91.05466	5.4
94.03657	2.4
95.01324	6.6
95.04957	5.3
97.02875	11.7
98.97558	7.0
99.04405	4.9
103.05441	6.0
105.07014	12.4
107.04935	5.5
109.02793	3.5
113.02349	3.4
115.05441	5.4
116.98624	3.8
117.07015	3.8
119.04926	4.2
121.02854	3.5
123.04449	14.4
126.09128	7.5
127.03887	11.4
127.09528	3.4
128.06177	5.0
131.04880	6.2
131.08665	3.7
132.05675	6.1
133.06462	8.3
134.99658	3.7
137.06026	4.3
141.06978	4.5
144.05624	4.6
144.10144	5.5
145.02763	4.7
145.04941	4.3
145.06445	7.4
145.10483	3.5
147.04364	6.3
147.07896	3.1
155.04805	3.2
156.05618	3.8
157.06439	8.9
159.08011	5.1
160.05209	5.8
161.01161	3.6
161.05988	15.0
167.07021	89.8
169.06396	4.1
170.07137	3.6
171.08043	4.8
173.05899	8.9
175.03889	6.7
175.07556	4.0
177.00687	4.1
177.05411	11.2
178.04956	14.0
181.04938	4.0
183.06580	3.9
186.11176	5.3
186.96790	3.9
187.05995	3.8
187.07481	8.3
187.11525	7.6
187.13193	3.5
188.04646	7.0
189.05475	6.8
192.07800	50.3
193.08514	9.0
197.05717	3.4
198.02957	3.8
198.06703	2.9
199.07454	3.7
200.04701	6.2
205.08563	8.6
205.12534	5.4
206.04361	14.6
207.06555	5.7
213.05548	3.9
215.07042	7.4
216.04163	8.8
219.06459	4.5
223.06001	8.0
229.05066	4.5
229.08612	5.7
231.06506	48.9
233.08069	12.0
237.02971	4.0
243.06427	4.2
245.08025	7.6
247.09540	3.8
249.07509	8.1
260.04141	3.5
261.07507	3.8
274.04721	3.5
275.09088	8.1
287.09033	5.1
289.06989	11.1
293.10168	4.6
305.10141	7.0
340.05307	3.1
344.23193	3.1
349.08820	6.5
367.10141	100.0
367.14468	4.4
368.10269	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29244	0.9
53.03933	1.6
55.01861	1.3
55.05510	2.5
57.03430	1.7
60.04513	1.8
61.02908	1.2
67.05494	3.4
67.80461	1.0
69.03424	3.6
69.07059	8.1
69.38593	10.0
70.06590	1.2
71.04990	10.8
79.05491	12.2
81.03407	1.4
81.03941	0.9
81.07052	78.8
82.07360	1.1
83.04988	6.6
83.08593	1.5
85.02889	7.7
85.06548	1.5
91.05469	3.2
93.07038	2.5
95.04946	2.9
95.08604	3.3
96.52324	0.9
97.02879	2.6
97.06532	1.3
105.07021	3.1
107.04961	1.6
107.08598	5.5
109.02853	1.6
109.06477	1.2
109.10155	15.4
119.01841	0.9
120.08112	1.2
121.02884	2.6
121.10110	1.2
123.04469	1.3
123.11702	6.8
124.07635	1.2
127.03957	1.6
133.06473	1.0
133.10147	5.8
137.05971	1.2
139.11154	3.3
143.49396	0.9
151.11179	10.0
161.05959	1.7
167.06956	1.7
169.12233	100.0
170.12601	1.3
187.09752	1.3
187.13326	9.9
203.03200	4.1
204.03513	3.7
221.04561	1.2
225.06584	2.4
226.07401	8.5
237.07553	1.1
257.08401	1.1
295.06094	1.8
308.06726	1.0
309.07724	1.7
321.07462	2.8
325.07224	1.1
326.08926	2.2
338.07587	1.6
339.08490	5.7
349.07059	3.4
366.06610	6.9
366.28503	1.5
367.08493	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01873	3.7
55.05510	30.0
56.22427	3.0
57.03430	6.7
59.04999	3.7
60.04509	4.5
61.02920	6.6
67.05489	17.2
69.03425	16.4
69.07065	22.2
69.57405	19.7
71.04988	34.0
73.02910	8.0
79.05483	14.1
81.03401	6.1
81.07052	100.0
83.04983	25.2
83.08593	10.5
83.33388	2.9
84.08117	3.5
85.02891	37.2
86.09684	13.7
87.04456	6.5
91.05469	13.2
93.07036	41.5
95.04964	14.8
95.08614	14.5
97.02872	11.5
97.06538	16.1
98.21533	3.1
99.04432	4.0
105.07020	14.3
107.04874	4.0
107.07944	5.2
107.08592	53.5
109.06501	10.0
109.10147	38.5
110.11711	2.9
111.08070	11.9
113.06006	18.8
116.98572	3.5
120.08083	7.1
121.10133	8.3
122.06027	4.0
123.08044	11.3
123.11691	45.8
127.03896	5.4
127.11184	5.9
129.05537	3.6
133.10121	25.5
145.04987	8.2
145.10139	3.0
146.97552	2.9
146.99609	3.1
147.09174	41.2
151.07632	4.6
151.11168	78.3
157.12213	3.5
157.13377	4.4
161.05971	4.2
166.04930	3.6
169.08647	3.6
169.12219	53.2
170.12599	3.2
174.96884	3.7
182.08142	6.4
185.12865	5.0
187.09596	10.0
187.13307	25.2
198.96864	12.4
204.06213	4.7
204.98094	3.1
219.47789	3.2
229.09654	3.4
235.13194	3.0
243.11528	2.9
246.99019	8.2
249.02768	5.0
265.00006	8.7
271.10660	10.7
281.14941	60.0
287.10223	5.3
299.10056	5.4
317.11377	7.0
324.15521	4.3
335.12286	13.7
348.26328	5.3
350.13458	19.8
363.99481	3.5
366.11588	4.6
366.16251	3.6
367.13647	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	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81739	0.2
55.01863	0.6
55.05506	0.3
58.14025	0.2
59.04982	0.7
60.04520	0.2
63.67426	0.2
67.05512	1.1
68.99802	0.2
69.03416	0.7
69.07059	1.3
69.83829	0.2
70.78731	0.3
70.79134	0.5
71.04996	1.7
73.33292	0.2
79.05481	0.4
81.03421	0.3
81.07059	2.6
83.04962	0.2
83.67397	0.2
85.02889	0.9
85.06542	2.2
87.04451	0.8
91.05468	1.3
93.07043	3.7
95.04966	0.4
95.08596	0.7
97.02879	1.4
97.06541	0.3
105.07032	1.7
107.08563	1.0
109.06507	0.3
109.10150	3.2
111.08083	3.2
113.06016	0.2
119.04972	1.2
121.02861	3.3
121.10170	0.3
123.00847	0.3
123.11716	1.5
125.09603	0.8
133.10126	3.3
135.04472	0.3
135.89810	0.2
137.02264	0.4
141.01816	2.4
151.11166	4.4
163.03926	0.2
165.01831	13.0
169.12227	7.6
183.02878	10.9
187.13281	8.5
188.13628	0.3
203.03336	0.2
221.04453	0.2
226.07416	0.3
227.11734	0.3
245.12894	0.4
249.03833	0.2
255.06493	0.4
271.05972	3.4
283.05994	100.0
293.08057	0.3
295.06061	1.0
297.07504	0.7
307.05991	0.7
308.06732	0.5
309.07684	0.3
311.09229	0.3
313.07178	0.2
317.44949	0.2
321.07532	1.8
337.06998	0.2
339.08282	0.4
349.06995	2.0
366.06760	0.3
366.28433	0.3
367.08118	14.4
367.12292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79232	0.8
53.03938	1.7
55.01863	1.3
55.05501	2.5
56.96578	0.8
57.03431	2.8
60.04513	1.0
61.02926	1.4
62.73405	0.8
64.52620	0.8
66.11235	0.7
67.05496	2.4
69.03425	6.6
69.07066	7.2
70.83577	2.4
71.04991	9.9
72.93768	1.0
73.02908	3.2
73.86273	0.8
75.04465	0.8
79.05487	15.4
81.03415	1.8
81.07053	100.0
82.07371	0.8
83.04977	9.0
83.08604	2.6
85.02903	14.0
85.06538	1.2
86.09694	1.0
87.04477	1.4
91.05471	4.2
93.07037	18.5
95.04961	3.3
95.08614	3.9
97.02891	4.8
97.06509	1.6
98.97568	1.8
99.04426	1.6
99.08099	4.1
101.06001	1.3
105.07040	4.1
107.08617	3.9
109.02884	1.6
109.06528	1.0
109.10147	3.1
111.08075	2.7
113.87814	1.0
115.03880	1.0
116.98589	1.3
120.08086	1.2
121.10152	2.8
123.08053	1.8
123.11712	6.5
127.03930	6.8
128.56285	0.9
128.98634	1.2
132.95827	2.0
133.10126	5.9
135.11717	1.0
139.11157	1.0
141.09052	1.0
144.95827	1.2
145.04948	6.7
146.99654	0.8
147.09163	7.8
150.97003	1.0
151.11200	6.9
159.11700	1.0
162.96848	1.3
163.06041	1.6
168.06606	0.8
169.08612	1.0
169.12186	4.0
174.96843	1.4
176.07071	1.0
186.96849	2.3
187.09674	3.3
189.00783	2.0
204.97931	3.6
225.11252	1.2
243.12299	10.2
246.98993	3.2
281.14951	11.3
305.09097	1.3
350.13345	3.5
366.11783	1.7
366.28439	1.4
367.13712	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01868	9.0
55.05499	2.3
56.88897	1.5
57.03420	6.1
61.02910	6.7
67.05496	1.9
69.03077	2.0
69.03426	31.8
69.41093	15.3
71.04984	6.0
73.02910	7.2
74.31445	1.8
76.91840	1.6
79.05476	1.5
81.03414	19.4
81.07064	2.8
85.02898	100.0
86.03223	1.7
87.00821	41.2
91.03950	3.3
93.07032	2.8
95.08579	2.1
95.34026	1.4
97.02890	31.6
99.04445	15.7
105.01861	78.6
105.07014	1.7
105.83502	1.5
107.08582	2.3
108.04447	2.1
109.02867	25.5
111.08054	1.8
113.01320	1.5
113.09608	1.6
120.01176	1.7
121.02819	2.2
126.05445	2.1
127.03905	70.4
128.04288	2.9
129.01839	4.6
131.04948	1.5
140.78481	1.3
141.09085	2.3
145.04953	35.7
147.02811	2.3
147.04424	2.7
151.07553	1.5
159.02895	18.3
175.07716	1.7
177.03831	1.9
189.03822	3.3
203.03317	1.9
209.11726	3.6
213.03886	2.6
227.16289	3.7
230.06616	1.6
231.04971	23.7
248.07745	2.0
249.06113	7.9
279.05896	1.8
283.05942	6.1
295.06195	1.9
295.11685	6.1
297.07883	2.1
311.09268	1.9
321.07581	5.5
348.18533	2.9
349.06943	3.2
367.08109	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	366.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.7
55.01879	1.4
55.05504	3.5
56.05021	3.1
57.03420	1.4
59.04981	1.0
59.63293	1.0
60.04524	10.1
61.02914	1.9
65.03888	0.9
67.05496	6.7
69.03422	3.7
69.07066	3.8
69.67079	1.6
69.67490	4.9
70.06583	2.3
71.04990	4.1
77.41933	0.9
79.05487	7.0
79.61262	1.0
81.03416	2.1
81.07056	12.3
83.04994	1.7
83.08601	2.7
84.04491	1.7
85.02907	10.6
85.06535	4.0
91.01082	1.0
91.05470	20.0
93.07027	5.4
94.06544	1.2
95.04955	4.0
95.08607	4.1
97.02896	3.5
97.06549	1.4
99.04481	1.7
103.05442	3.7
105.05505	2.3
105.07024	41.5
107.04902	1.0
107.08584	6.3
109.02855	1.6
109.06516	2.2
109.10143	7.8
111.08120	1.4
113.05969	2.1
113.85757	0.9
115.05443	11.6
117.07010	22.7
119.08585	11.2
120.08080	1.3
120.09421	1.5
121.02856	1.8
121.06551	1.1
121.10131	10.0
123.04370	1.3
123.08066	3.1
123.11682	9.3
124.07584	4.1
127.03933	1.9
127.11170	1.3
128.06218	8.3
129.07021	13.8
130.07774	42.1
131.07245	3.2
131.08585	7.3
133.10121	9.0
135.08139	1.2
135.11664	2.3
137.06058	1.0
137.09602	7.4
142.07791	1.6
143.08543	8.7
144.08095	2.3
144.09273	1.2
145.04987	1.6
145.06462	2.2
145.10107	76.0
146.09488	1.6
146.10571	3.1
147.04401	1.3
147.08044	2.1
148.07568	6.0
149.09650	2.2
151.11177	9.3
155.08525	2.0
156.08138	2.0
156.09349	7.4
157.08871	4.0
157.10150	5.5
158.09636	1.9
159.10475	2.3
159.11739	1.9
160.11205	1.7
162.05544	3.9
163.11198	1.3
167.06987	2.0
169.08640	3.3
169.12233	24.5
171.10408	6.3
171.11710	11.4
172.11191	66.0
172.12444	5.0
173.11530	2.0
176.10674	2.3
186.12772	48.6
187.09662	1.4
187.11531	1.7
187.13408	22.5
189.11478	1.2
203.03439	1.6
204.13823	100.0
205.14241	3.1
225.06642	2.1
226.07350	6.1
254.06940	1.1
255.34471	1.1
295.06195	1.2
307.05972	1.1
310.08115	1.3
311.23840	1.2
313.11633	1.3
321.07562	1.9
326.09018	3.4
337.06888	1.2
338.07535	1.3
339.08643	5.8
349.06989	2.7
366.06918	11.8
366.28293	2.4
367.07651	15.3
367.12939	4.4
374.46014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01870	4.8
55.05267	1.5
55.05510	25.0
56.96553	6.1
57.03434	10.4
61.02904	2.0
61.61365	1.5
65.03919	1.9
67.05172	2.3
67.05506	28.5
67.36887	1.5
69.03426	10.5
69.06717	2.7
69.07066	36.1
71.04968	2.8
77.96021	1.4
79.05496	22.7
81.03399	5.8
81.07053	21.7
83.04968	5.1
83.08608	9.3
85.02887	4.3
85.06507	2.4
91.05486	13.0
93.07037	16.2
95.04988	9.3
95.08604	13.1
97.02893	14.8
97.06509	4.4
97.10168	15.0
98.97564	3.3
105.07018	13.2
107.04930	5.1
107.08594	14.0
109.02909	1.8
109.06527	3.7
109.10154	10.1
111.04417	2.1
111.08076	3.6
116.98613	4.9
117.02416	2.0
117.07008	7.1
119.08591	11.7
121.06491	3.4
121.10156	9.5
123.08059	5.2
125.09621	9.5
129.06998	3.7
131.08557	9.1
133.06458	2.1
133.10104	5.3
135.08105	4.0
135.11636	3.4
137.09541	2.4
143.08563	3.7
145.06413	1.8
145.10114	6.2
147.08028	4.2
147.11710	3.2
149.01225	3.7
149.09618	3.1
149.13249	2.9
151.11203	2.7
153.09126	1.6
157.10083	3.5
159.11667	4.1
161.09634	2.9
163.11217	2.1
165.09027	1.9
167.02251	2.3
171.11688	3.3
175.11249	2.4
177.00734	2.6
189.11186	4.8
189.16431	1.9
205.12277	2.5
223.13301	28.8
245.19057	2.0
249.14920	1.7
263.20218	2.0
273.18475	11.2
284.12653	9.9
284.62823	5.3
285.10107	8.3
285.12939	1.6
291.19531	100.0
318.10498	1.6
347.22302	2.1
365.10284	5.2
365.15366	9.4
365.19061	3.2
365.23187	59.5
365.26935	2.7
365.33035	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	4.8
63.69769	1.2
69.74850	6.7
70.92567	1.2
74.94283	1.3
75.47253	1.2
78.44855	1.2
91.84220	1.1
98.97578	9.2
102.96817	1.2
116.98617	11.8
119.01902	14.2
121.01695	1.3
129.52094	1.2
134.99661	13.4
137.02962	11.3
139.02766	1.4
142.03467	2.2
153.00708	4.1
158.01009	1.3
160.04547	1.9
177.00961	19.0
178.01027	3.2
178.05771	1.3
179.00717	5.1
201.07219	4.1
217.04033	1.4
218.03641	1.9
219.01994	29.7
219.03963	2.4
220.02122	8.8
221.01767	20.5
234.99950	7.2
238.87564	1.3
240.99011	1.5
242.03656	2.1
248.94005	1.2
253.01103	4.6
256.96805	8.9
257.96747	2.0
258.96411	3.7
258.99994	17.0
260.00195	2.5
260.04657	3.2
260.99976	3.8
261.03049	55.3
262.00189	2.2
262.03171	7.5
263.02890	12.7
264.98904	3.2
272.94385	2.5
274.94922	1.8
274.97525	8.5
275.97937	2.9
276.98184	1.3
277.01050	31.9
278.01077	4.1
279.00787	5.7
280.00934	4.5
281.00543	1.8
282.99979	32.3
283.06317	3.5
284.00037	2.1
284.04620	4.0
284.99854	2.7
286.00046	3.8
300.97629	7.2
301.01022	100.0
302.01114	11.1
303.00897	6.3
304.00891	10.4
304.78223	1.1
306.07822	1.3
309.42575	1.6
309.96146	2.0
310.96036	1.7
314.95688	1.8
316.93484	3.9
317.43710	1.8
317.93436	4.2
319.01999	11.6
319.44482	2.6
319.94305	2.5
324.02710	2.2
325.00809	6.7
325.93936	2.9
326.44098	2.8
326.93921	2.8
328.44324	9.4
328.94351	5.6
329.44205	4.9
338.44971	1.5
339.95609	6.2
340.45462	4.7
340.95129	5.9
342.01959	7.1
343.02097	44.9
343.08401	6.3
344.02344	2.7
351.45645	2.1
351.95578	5.1
352.45978	2.4
354.93549	1.9
355.93942	1.9
356.93420	3.8
357.93265	2.6
360.46298	4.4
360.96225	6.5
361.03149	18.0
361.46262	2.6
366.03445	2.6
373.94745	1.5
383.96786	2.4
384.03415	6.0
385.02814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11656	2.7
53.03941	5.2
55.01862	8.6
55.05504	31.9
56.96544	3.4
57.03430	13.4
61.02918	4.4
62.83080	3.2
64.73222	3.2
67.05498	42.0
69.03426	16.3
69.06710	4.5
69.07066	48.0
71.04992	5.1
71.60796	4.4
73.02923	6.9
79.05486	33.2
79.07052	2.9
81.03410	9.9
81.07037	38.6
83.04970	7.0
83.08607	11.3
85.02888	9.5
85.06544	5.0
91.03962	2.9
91.05483	25.9
93.07044	28.4
95.04960	8.5
95.08607	25.9
97.02888	17.7
97.06528	8.3
97.10180	14.9
105.07020	21.4
107.04933	9.8
107.08575	27.8
109.06506	7.3
109.10155	16.4
116.98607	3.6
117.07017	7.2
119.08567	19.1
121.06542	5.3
121.10150	8.6
123.08068	6.4
123.11668	3.3
125.05984	3.6
125.09634	11.9
127.03900	3.7
129.07022	4.9
131.08578	9.0
133.06482	5.9
133.10143	14.2
135.08031	5.9
135.11714	5.8
137.09587	5.2
143.08588	5.8
145.10121	12.9
147.08029	7.9
147.11659	10.3
149.09607	5.9
149.13234	4.6
151.11171	2.9
153.09134	4.5
157.10097	4.1
159.11682	7.0
160.71675	2.8
161.05952	2.8
161.09569	4.4
165.09082	5.5
171.11717	6.2
173.13239	4.9
175.11143	4.2
187.14743	3.6
189.11209	8.4
189.12788	4.4
195.13806	6.3
201.89951	3.2
205.12292	6.2
223.13268	27.7
273.18491	21.1
284.13721	13.8
284.63867	7.1
285.09952	3.6
291.19534	100.0
292.20044	3.7
347.22153	8.4
365.10443	11.7
365.16034	6.3
365.23181	68.9
365.27267	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53389	0.6
56.96547	0.7
57.82185	0.7
68.11642	0.7
69.34013	0.7
69.84283	0.7
70.83907	2.3
77.87588	0.7
82.99862	0.6
84.04395	0.6
84.08192	0.6
98.97540	0.8
100.30141	0.7
101.00921	2.8
119.01914	9.0
119.02679	0.8
131.01906	5.4
133.03482	1.5
137.02994	1.4
143.01889	4.2
144.33588	0.7
145.03444	9.3
155.01872	3.2
157.03481	5.1
157.99577	0.7
161.02963	7.5
163.04626	2.4
167.01930	1.0
169.03514	1.1
171.05147	0.9
173.02971	11.5
173.04298	1.0
175.04517	3.2
185.02951	7.7
185.04309	17.8
187.04652	1.9
191.04146	2.1
197.02966	4.5
203.05334	41.0
215.04121	2.4
226.05615	0.7
227.04163	2.3
233.05168	2.1
241.05740	0.8
245.05066	19.2
245.07364	1.1
250.98402	0.8
263.06192	4.8
275.06302	2.3
305.07251	1.7
365.10696	100.0
366.11203	1.1
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
56.96547	0.8
58.34423	0.2
61.02903	0.4
69.03423	0.3
71.16081	0.7
73.02891	0.6
85.02898	0.3
89.45653	0.2
98.97581	0.6
111.01810	0.2
116.47667	0.2
116.98605	0.8
119.01933	1.3
128.98581	0.4
131.01936	0.4
131.16634	0.3
133.03496	0.4
134.99591	0.4
143.01886	0.6
145.03448	0.9
146.99667	0.5
150.99300	0.3
155.01817	0.4
157.03398	0.4
161.02968	1.3
163.04506	0.4
167.01910	0.2
173.03001	1.1
175.04529	0.4
185.04231	18.0
189.00665	0.4
191.03900	0.5
197.02980	0.4
203.05266	36.8
204.05600	0.5
206.98195	0.5
207.01778	0.4
215.03914	0.4
230.98126	0.4
241.80896	0.3
245.05090	3.3
259.06287	0.3
263.00580	0.4
263.06140	0.9
351.06094	0.3
365.10538	100.0
366.10849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.4
61.83392	2.0
64.73950	2.1
70.44201	9.0
73.02911	4.1
85.02904	7.0
95.17255	2.1
97.02884	2.7
98.97582	10.5
110.97659	2.6
116.98636	8.0
119.01923	10.3
128.98613	4.1
131.01860	4.8
132.47141	2.6
133.03424	3.1
143.01909	3.0
145.03453	7.8
146.99692	4.2
157.03450	4.1
161.01253	3.6
161.02919	7.8
173.03003	6.4
175.04530	3.6
185.02922	5.9
185.04311	11.8
187.33516	2.5
191.03929	2.9
197.03029	3.1
201.06027	3.6
203.05336	31.9
215.04033	2.8
219.01645	3.1
237.02905	7.2
245.05058	23.1
251.04402	9.5
263.06186	5.5
263.95541	2.7
269.05374	3.6
305.10812	10.7
351.06055	2.6
365.08560	100.0
366.08777	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.76409	0.8
55.05500	2.0
57.03424	2.2
57.07065	1.2
58.21217	0.7
59.04984	2.9
60.04506	0.8
61.02934	1.4
67.05485	3.2
69.03429	3.7
69.07050	1.7
70.02701	4.6
70.06593	1.4
73.02908	1.9
75.04465	2.7
79.05494	9.0
81.03401	1.0
81.07053	23.9
85.02896	8.0
91.05475	5.8
93.07038	30.4
94.07391	0.8
95.04988	1.3
95.08608	11.2
97.02882	3.3
97.06522	3.7
98.97606	1.0
99.04452	1.0
103.05455	1.0
105.07034	6.9
107.04969	1.7
107.08585	6.6
109.06552	1.7
111.08084	3.5
115.93542	0.8
119.08574	1.8
120.08096	1.4
121.02855	0.9
121.10136	100.0
122.10478	2.3
123.08044	2.1
123.11697	17.7
125.05983	6.2
127.03862	1.9
131.08563	1.8
133.07561	0.9
139.11163	17.5
139.86453	0.8
145.04919	1.9
149.09634	11.6
158.09612	0.8
161.05984	0.9
167.10669	53.4
168.11058	1.3
173.83649	0.7
176.07013	1.0
242.09283	1.2
364.14639	1.1
365.06503	2.0
365.15979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
53.24519	0.5
55.01871	2.5
55.05507	1.1
56.83164	0.6
56.96554	1.0
57.03441	1.1
61.02913	0.8
62.55621	0.6
69.03415	3.0
69.07079	0.6
70.06575	1.1
71.04995	1.2
71.43451	1.0
73.02870	0.7
79.05475	0.7
81.03435	2.6
81.07043	3.7
82.02940	1.5
82.06580	1.1
84.04511	2.6
84.08142	1.8
85.02901	5.2
86.06052	1.8
87.04423	0.7
91.05490	0.6
93.07031	3.7
95.04990	0.8
95.08601	3.7
96.04480	3.4
96.08112	1.3
97.02893	2.1
97.06562	1.0
98.97591	0.8
99.08088	0.6
103.05413	0.7
105.07020	0.8
107.08557	0.7
109.02847	0.5
110.06040	0.7
110.09676	11.6
111.08062	0.9
112.07610	1.0
114.05528	9.0
116.98585	1.5
120.08106	0.7
121.06480	1.7
123.08056	2.4
124.07580	2.1
127.03888	1.3
132.06564	1.4
134.99634	0.8
138.09128	79.0
139.07530	2.6
139.09410	1.0
140.10721	1.0
142.08615	4.8
142.12160	0.6
146.99699	0.9
148.07558	1.9
149.05984	1.1
151.07503	1.1
156.10190	9.9
162.09158	0.6
166.08629	18.4
167.07037	2.3
184.09674	67.0
185.08203	0.8
185.09975	1.1
202.10728	100.0
202.14479	2.6
203.11072	2.0
211.07603	0.7
219.01958	0.9
237.02724	1.2
257.03287	0.7
261.07632	0.8
304.13199	1.1
338.12289	0.6
364.16193	2.2
364.20193	0.8
365.05258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01866	0.8
56.96556	0.6
61.02928	0.6
61.62938	0.4
63.45334	0.4
69.03415	1.8
70.06585	0.5
70.40420	2.0
71.04984	0.8
73.02898	0.6
78.04705	1.5
79.05502	0.8
81.03395	1.2
81.07059	1.0
83.68269	0.4
84.04475	0.6
85.02910	5.6
86.06026	0.6
87.04497	0.4
91.05481	0.5
93.07069	0.7
97.02879	1.8
98.97588	1.1
106.04195	0.9
107.04937	0.9
110.09642	0.6
114.05507	1.5
116.98571	0.8
123.04432	5.3
124.05185	1.4
127.03912	1.2
128.98592	0.6
134.03700	0.5
137.06010	0.4
138.09148	5.3
140.04721	0.9
145.04927	0.7
151.03911	0.7
152.04652	1.5
155.07011	1.0
156.10228	0.6
166.08661	2.1
167.07034	100.0
168.07420	2.1
170.05626	0.4
180.08635	0.6
184.09691	5.1
185.07988	0.6
189.00650	0.4
202.10756	8.7
203.05315	0.4
365.10654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	5.1
57.03429	7.4
59.54711	4.0
62.76929	3.6
66.10326	3.2
67.05510	5.5
69.03429	5.5
69.07069	9.4
69.52161	5.9
69.52562	28.0
71.04980	4.4
77.54930	3.4
77.63823	4.1
77.82459	3.4
79.05476	5.1
81.03423	5.7
81.07047	10.6
83.04944	4.4
91.05515	9.6
93.07056	6.1
95.04969	5.4
95.08620	4.4
98.20777	9.2
98.97552	4.8
103.05421	4.5
105.07037	7.8
109.10145	8.1
112.52920	4.0
117.06976	5.7
117.41805	3.8
121.06446	4.7
121.10143	5.9
122.03683	8.4
130.19313	3.8
131.04898	11.6
131.08553	4.2
133.06496	12.9
133.10117	5.0
135.04449	4.2
135.08014	5.5
137.05966	100.0
138.06291	6.3
145.06538	3.7
145.10042	5.3
147.11665	5.8
149.05992	6.5
151.07518	5.0
159.11559	4.6
163.07561	20.8
167.07022	23.7
167.39246	3.9
173.41789	3.8
175.07526	4.6
189.09042	9.2
231.14867	23.0
240.55069	4.5
327.16025	4.3
363.08472	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03427	0.6
61.02919	0.9
67.05490	0.5
68.05018	0.5
69.03415	0.9
71.04963	0.7
71.41331	0.8
71.41671	0.5
73.02898	0.6
74.93904	0.5
79.05474	0.6
81.03415	0.8
81.07025	2.3
82.02948	1.0
82.06566	0.8
84.04491	3.5
84.08144	2.1
85.02897	3.3
86.06059	1.8
93.07047	2.3
95.04964	0.6
95.08593	3.1
96.04475	1.6
97.02876	1.6
98.97579	0.8
110.09679	6.7
111.08126	0.5
114.05518	10.2
116.98595	0.5
120.08070	0.4
121.06472	1.0
122.05992	0.5
123.04439	1.1
123.08060	2.2
124.07563	1.5
127.03855	0.5
130.63289	0.4
132.06541	1.3
138.09129	53.3
139.07536	2.2
139.09441	0.8
140.10632	0.6
141.09085	0.6
142.08618	0.8
148.07541	0.5
156.10190	11.0
157.08574	0.6
166.08614	11.7
166.09930	0.9
167.07037	12.8
184.09679	51.2
185.10063	0.8
202.10733	100.0
203.11130	1.0
237.02756	0.7
261.05411	0.6
365.10452	0.6
385.62894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44648	1.2
57.03430	1.2
59.16712	1.1
67.05495	3.0
67.59518	1.3
69.03432	2.5
69.07080	8.7
69.69458	4.3
69.69880	3.9
72.75406	1.3
74.06128	1.1
79.05482	1.7
80.04974	1.3
81.07045	1.1
88.31892	1.1
88.32520	1.0
93.05708	1.3
93.07060	1.2
94.06565	16.3
95.04953	2.4
97.02866	1.4
107.08621	1.5
108.07390	1.2
110.06059	2.0
112.07591	3.4
116.04956	3.5
120.04480	1.4
121.06525	1.8
122.06021	43.8
122.06893	2.6
123.04422	2.3
140.07053	65.6
144.04407	11.9
146.05998	10.3
148.03943	5.0
150.05508	1.6
151.07581	2.1
157.10004	1.1
162.05482	10.5
166.05042	1.6
167.07063	3.1
172.03920	44.5
173.04294	1.7
174.05525	2.9
178.08643	3.5
179.07016	2.7
190.04987	11.9
194.04604	1.3
201.35341	1.2
204.06552	100.0
205.06969	3.2
206.08110	34.9
209.08076	2.5
222.07571	7.2
244.09686	7.3
271.10812	5.0
272.09116	2.0
289.11798	15.8
307.12909	17.1
313.11765	2.3
327.13208	2.5
331.12839	13.7
345.14423	17.4
363.08371	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23499	0.9
55.01873	1.1
56.96560	33.1
57.03431	1.8
61.02917	1.9
68.05010	1.3
69.03418	4.0
70.06523	0.9
70.44397	2.9
73.02911	3.3
76.00764	1.0
79.05450	1.1
81.03394	1.7
84.04515	1.0
84.96038	1.9
85.02895	10.1
97.02891	4.2
97.96806	1.0
98.97572	14.8
99.04449	1.3
100.52328	1.1
109.02853	1.0
110.97534	1.6
116.98601	12.8
119.01926	1.0
127.03909	2.7
128.98601	4.3
131.00166	1.0
133.01660	1.0
133.03490	1.0
134.99632	3.5
137.05981	3.0
139.00720	4.1
140.98567	7.4
143.00221	1.2
145.04973	1.8
146.99646	3.4
147.04407	2.0
149.01196	1.7
157.01671	9.8
158.99638	34.5
161.01213	1.8
161.02974	1.6
174.99246	2.8
175.02776	97.7
177.00696	46.3
177.04166	1.1
178.46692	0.9
182.99666	3.0
184.04834	1.3
189.00749	2.0
193.00253	6.2
193.03827	99.8
194.04224	1.5
195.01736	5.6
198.04401	4.2
200.02357	1.6
200.05287	1.2
201.00688	39.1
201.06055	2.6
203.02316	1.2
211.04860	2.5
216.05435	2.7
219.01749	100.0
223.01242	1.2
224.02296	2.5
237.02794	25.9
241.03891	1.6
242.03435	3.8
243.01756	4.2
243.05569	1.3
247.04642	1.5
255.03784	1.8
257.07016	4.1
259.04865	3.1
260.04431	1.4
261.02890	3.3
273.08185	3.5
275.08072	2.1
279.03888	1.3
282.58188	1.0
283.04944	14.3
283.07800	1.9
285.02823	3.9
301.05902	15.2
303.03946	4.8
319.06812	5.0
321.08228	1.8
327.03857	61.2
345.04892	39.8
345.09204	1.9
354.10657	1.9
363.05731	2.4
363.12784	15.2
368.06625	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	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01859	0.9
55.93496	0.9
56.96560	3.6
57.03429	1.1
57.20816	0.6
59.06120	24.8
60.04525	1.1
61.02919	1.6
62.91917	0.8
65.03899	0.7
66.28915	0.6
67.05484	2.3
69.03423	5.7
69.07056	1.8
71.01301	2.7
71.01700	1.4
71.04961	1.2
72.08143	2.1
73.02901	3.2
79.02299	0.7
81.03409	2.7
81.07043	0.9
84.04500	1.4
84.96077	0.9
85.02901	13.1
86.09680	2.1
87.04453	1.7
94.06563	0.9
95.04971	1.7
97.02872	5.8
97.06461	1.1
98.97575	6.2
99.04443	1.1
107.04923	1.5
108.08096	2.5
109.02857	2.2
110.05984	1.0
110.78589	0.9
112.07574	0.7
114.96717	0.7
116.98596	6.1
119.01888	2.8
121.06483	1.3
122.06009	3.2
123.04482	1.4
127.03942	4.2
128.98593	1.1
134.99658	4.4
136.07567	100.0
137.02992	1.3
137.05969	2.0
137.07938	2.8
140.07066	4.6
142.08607	1.7
145.05006	1.7
146.99583	1.8
149.01137	1.1
149.05922	1.4
150.05545	1.3
152.07042	1.9
154.08592	1.4
158.99646	2.3
161.01215	1.1
161.02937	1.8
164.07053	37.1
165.05487	0.9
165.07359	1.2
166.08557	1.4
167.07007	2.8
168.06537	2.1
173.03008	1.1
177.00739	6.0
177.05507	2.3
182.08102	10.0
184.09796	0.8
187.14415	1.9
199.10796	0.9
200.09169	14.8
200.10956	1.4
201.12379	1.0
203.04005	1.0
208.08368	1.5
215.13574	0.9
219.01762	3.2
221.05104	0.9
223.05444	2.0
232.05943	2.4
236.07843	3.3
237.02866	6.2
240.07370	1.4
245.05080	2.3
249.07069	0.8
253.10553	2.5
255.03859	1.2
263.06183	1.0
282.08380	1.4
295.07523	1.4
298.12634	1.0
299.10938	1.6
303.07605	1.0
316.13788	1.2
321.08575	3.1
321.16632	0.8
344.09164	0.8
344.13297	3.2
362.11111	5.8
362.15222	1.5
363.12262	3.1
363.16391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.05510	29.3
56.96556	7.5
57.03430	6.1
57.07070	21.0
67.05502	37.2
69.03424	15.7
69.07074	48.2
71.04959	7.2
71.08633	7.3
71.60874	9.9
79.05502	29.3
79.09025	5.5
81.03403	6.5
81.07057	100.0
83.04984	8.1
83.08617	33.0
85.06541	22.0
88.95251	4.8
91.05481	18.7
93.07062	31.5
94.02876	5.9
95.04970	9.0
95.08608	83.8
97.06556	6.8
97.10172	21.3
99.08083	9.3
105.07040	24.6
107.04952	12.3
107.08585	37.9
109.06516	8.9
109.10164	68.0
111.04523	5.9
111.11732	18.2
117.06986	6.5
119.08578	18.7
119.98480	4.7
121.06528	13.7
121.10177	41.8
123.04425	9.6
123.08064	6.8
123.11713	36.5
125.06001	6.0
125.09622	9.7
125.80569	5.4
129.07031	10.8
131.08553	13.6
133.10136	12.3
135.08057	11.7
135.11710	16.0
137.05997	19.9
137.13248	18.0
145.06554	6.3
145.10109	11.4
147.04416	10.8
147.11668	8.7
149.13264	13.3
151.07530	16.4
153.05402	6.7
161.05957	22.4
161.09550	6.1
161.13168	6.1
162.06346	7.4
163.07607	10.1
165.07018	8.3
165.12694	6.4
165.16475	6.5
167.07004	40.7
169.10117	6.5
173.13298	6.1
181.08562	35.1
181.12216	10.8
182.07275	5.7
185.08049	5.7
189.09117	23.0
194.06856	5.6
197.09663	8.2
199.07507	6.1
210.06784	7.9
219.13881	5.0
223.06635	8.7
225.09093	9.3
227.09737	8.9
247.24226	15.9
253.08604	10.5
254.09018	7.7
255.09271	19.9
269.10892	6.5
271.24313	6.5
281.28494	7.1
285.11090	15.0
286.11481	14.9
287.11734	29.3
289.25250	15.4
307.26367	37.6
311.12204	8.6
317.13953	5.9
328.12747	7.6
329.12961	43.0
343.15463	7.1
361.15701	10.2
362.28082	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	361.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24157	4.0
51.49984	3.8
53.01524	3.8
53.03933	4.5
55.05517	25.7
56.96564	6.9
57.07073	17.7
67.05508	29.3
69.03427	10.5
69.07063	59.7
71.05009	8.2
71.08618	6.9
71.61080	7.0
75.48142	4.2
79.05496	18.3
81.03432	4.3
81.07053	96.7
82.07404	5.3
83.04977	7.8
83.08611	41.4
85.02896	7.4
85.06541	18.9
91.05481	13.0
92.35682	4.8
93.07037	38.2
95.04963	7.2
95.08599	100.0
97.02890	6.6
97.06540	4.5
97.10168	22.8
99.08077	6.4
103.05424	5.4
105.07024	19.5
107.04959	6.9
107.08574	39.9
109.06531	9.8
109.10153	76.3
111.08065	5.2
111.11732	17.1
119.08558	20.5
121.06522	11.6
121.10137	45.9
123.11681	38.4
124.12116	5.4
125.09631	10.5
125.13233	6.6
129.01808	4.5
129.06989	6.9
131.08603	9.2
133.10149	17.4
135.08026	7.0
135.11699	25.0
137.06026	7.2
137.09602	6.1
137.13235	20.6
144.09113	4.1
145.10152	13.9
147.04376	6.9
147.11731	13.0
149.13237	15.1
151.11145	8.2
151.14827	10.4
159.11682	9.8
161.06020	7.0
161.09724	4.8
161.13307	12.0
163.07541	5.3
163.11153	7.9
163.14851	6.5
165.09169	5.4
165.12686	6.6
167.07045	19.2
167.10715	5.1
169.12221	6.1
173.13370	4.5
175.14847	6.4
177.16454	6.5
181.08604	20.2
181.12260	16.3
185.13277	5.4
189.09125	15.9
191.18010	4.8
201.16444	4.4
242.57600	4.5
247.24202	13.7
251.07021	4.3
271.24380	12.4
281.28403	5.0
285.11035	6.8
289.25363	25.0
300.23175	7.0
307.26297	46.0
315.12051	5.6
317.13525	4.9
325.27020	6.7
361.16486	6.5
361.28271	15.3
362.27701	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.05511	24.6
57.07074	26.2
63.35361	4.2
67.05504	25.7
69.03416	9.0
69.07067	60.5
70.21455	14.3
71.04971	4.0
71.08630	15.7
71.29080	3.8
79.05490	18.6
81.06575	5.7
81.07056	100.0
83.08611	36.1
85.02901	8.1
85.06548	10.6
85.10159	6.0
91.05499	8.3
91.66608	3.5
93.07043	33.7
95.04981	6.3
95.08604	90.1
97.06527	6.9
97.10155	24.6
98.89028	3.6
98.97535	3.9
105.07049	19.1
107.04934	6.8
107.08590	45.2
109.06525	4.8
109.10158	63.0
111.11720	22.4
119.08581	13.2
121.06564	5.4
121.10143	65.5
123.08051	5.7
123.11693	31.0
125.13239	12.6
131.04881	3.7
131.08542	8.1
133.10089	12.0
135.08087	5.4
135.11707	30.3
137.05998	5.0
137.13271	16.6
139.04005	3.7
145.10135	9.8
147.11667	6.7
149.09564	4.3
149.13251	15.6
151.11188	4.0
151.14807	11.7
153.09097	6.8
155.10622	4.5
159.11751	5.6
161.13268	8.4
163.07498	5.5
163.11140	8.9
163.14799	9.3
165.16325	8.6
167.07027	13.4
167.10695	6.6
169.12225	5.2
172.10614	3.6
175.14697	4.3
177.12790	4.2
177.16434	5.0
181.08568	12.1
181.12219	27.8
189.09079	9.7
189.16428	7.2
191.14340	3.8
191.17981	8.9
195.13853	7.1
207.21016	4.8
215.18011	6.3
223.16768	5.3
224.47906	3.7
233.19040	6.5
245.22723	5.1
247.24211	41.1
261.25806	7.3
271.24158	18.4
274.21521	7.0
289.25247	22.5
307.26260	32.4
325.27472	6.0
361.16281	4.7
361.20120	6.5
361.24023	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	361.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.4
56.96557	28.3
57.07060	22.8
64.94207	6.5
67.05499	46.8
69.07066	73.7
69.98809	28.5
69.99220	15.0
71.08636	9.2
71.97893	6.8
79.05467	35.7
81.07045	96.3
83.08601	46.1
85.02923	8.6
85.06526	31.7
90.68071	6.4
91.05486	14.4
93.07030	41.3
95.04980	11.0
95.08596	100.0
97.06439	7.1
97.10157	22.4
103.05495	8.1
105.07021	23.3
107.04927	9.2
107.08582	45.3
109.10133	77.5
111.08075	10.5
111.11678	20.0
119.08563	21.4
121.06513	6.9
121.10129	38.5
123.04419	13.6
123.11682	34.3
125.09682	7.3
131.08591	8.7
133.10115	12.8
135.11682	28.8
137.05945	9.5
137.09630	10.5
137.13261	20.3
139.10995	7.7
145.10086	11.8
146.34532	8.6
147.08040	8.6
147.11661	15.0
149.09605	7.6
149.13197	13.4
151.11273	11.5
153.12930	8.7
161.13246	13.5
163.11143	12.1
163.14838	10.5
167.07039	9.7
189.09065	8.4
189.16261	8.1
191.03358	36.5
201.16458	7.5
207.21092	9.4
215.07068	6.9
219.52310	7.4
247.24332	20.5
248.39774	7.1
279.43201	7.7
289.25269	21.5
307.26288	32.8
315.19592	10.5
320.05951	11.3
325.27426	11.6
329.06741	16.9
329.56723	8.7
330.56030	8.7
338.07214	16.0
340.57312	12.1
341.07578	10.2
361.19882	17.8
361.23840	15.1
379.07333	8.6
380.17316	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	361.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05500	0.8
57.03419	1.8
59.04987	1.7
61.02601	0.6
61.02919	11.9
67.05491	1.4
67.73510	0.5
69.03078	0.7
69.03427	13.2
69.07052	2.3
70.40932	1.4
70.41350	0.9
71.04978	0.7
73.02925	0.8
75.55171	0.5
79.05502	2.5
81.03408	1.9
81.07050	5.6
83.04978	3.6
85.02904	19.9
85.06618	0.5
87.04462	0.7
91.03936	1.4
91.05453	2.1
93.07048	6.0
95.04940	0.8
95.08613	4.8
97.02892	4.8
97.06538	4.5
97.10160	0.6
99.04459	1.6
99.08062	1.8
105.07034	3.4
107.08585	1.4
109.02867	2.0
109.06474	1.3
109.10148	2.6
111.08031	0.6
115.07552	1.3
119.08575	2.0
121.06498	1.2
121.10142	30.9
123.08055	3.0
123.11675	1.7
125.05968	0.6
127.03924	4.7
133.10106	0.8
135.11694	2.0
137.06009	1.4
137.09607	2.7
139.11176	57.5
140.11540	1.0
144.50499	0.5
145.04950	5.9
145.10136	2.8
147.04343	0.6
151.07494	0.6
153.12740	0.8
163.06178	0.7
163.11168	6.7
165.09201	0.5
167.07083	1.1
181.12239	14.4
182.12560	0.6
183.10155	3.8
199.13293	100.0
200.13638	1.8
218.15479	0.5
312.13165	0.6
343.12912	0.7
357.06268	0.6
361.14163	1.2
361.18671	0.6
380.72141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01860	2.3
55.05510	1.1
61.31428	0.9
67.05506	3.2
69.50009	10.0
71.05002	1.8
72.12094	1.0
75.98800	1.0
78.04697	2.4
79.05491	11.3
81.07064	3.3
83.04979	1.3
85.02909	2.4
87.88361	1.1
89.42618	1.0
90.29539	1.0
91.05473	23.9
93.07041	12.7
94.27921	0.9
95.04970	9.3
95.08615	2.3
98.20790	2.3
103.05453	11.6
105.07034	10.4
106.04159	1.2
107.04945	33.5
107.08557	1.9
109.02926	1.4
109.06525	2.4
109.10137	1.3
111.04449	2.8
115.05457	4.2
116.06261	1.3
117.07021	6.2
118.04190	1.4
119.04935	6.6
119.08553	2.1
120.05761	2.9
121.06504	20.0
121.10172	1.6
122.03599	1.4
123.04443	6.2
123.08073	1.2
124.05196	4.5
125.06001	3.6
128.06187	6.5
129.06999	27.5
131.04930	10.2
131.08571	12.9
133.02861	2.4
133.06519	5.9
134.03607	1.5
135.04407	2.8
135.08069	8.0
136.05202	1.8
137.05959	17.9
138.06757	1.6
139.07506	1.6
141.07030	1.7
143.08519	1.3
144.05675	1.3
145.06487	6.3
146.03639	1.4
146.07257	3.5
147.04416	4.1
147.08066	2.6
148.05211	2.7
149.05942	6.8
149.09550	1.3
150.06702	1.6
151.03906	4.5
151.07539	19.7
152.04689	3.8
152.06273	2.3
153.05482	13.7
153.06818	2.0
155.07126	2.4
157.06487	19.9
158.07295	2.2
159.08060	3.5
161.05972	35.4
161.09584	10.9
162.06525	1.8
163.07533	22.9
163.14783	1.2
165.05609	1.5
165.06944	6.6
165.09113	10.4
166.06267	9.8
166.07677	1.9
167.07040	65.9
167.08528	4.2
168.07397	1.5
169.06496	2.3
171.07964	1.4
173.05995	2.7
174.06752	12.3
175.07530	9.1
176.06105	1.2
177.05481	1.4
177.06990	2.0
177.09070	7.0
178.07816	2.8
179.07028	3.5
179.08571	6.1
179.10677	1.1
180.09267	1.5
181.06610	5.1
181.08578	100.0
182.07269	5.5
182.08891	1.7
183.07997	2.5
187.07545	1.6
189.09093	83.2
190.07855	2.6
190.09488	1.7
191.08533	2.9
191.10440	2.0
193.06490	3.8
193.08476	1.2
194.07265	4.4
195.08055	12.3
196.08771	1.3
197.06013	2.2
197.09595	9.6
199.07477	1.9
199.16977	1.3
203.10677	1.3
205.10118	1.3
207.08089	5.9
207.10173	19.6
208.05214	1.3
208.08832	3.0
209.05963	2.4
210.06752	6.4
211.07622	5.1
211.11151	2.0
212.08388	3.2
213.08926	1.5
218.07306	1.3
219.08189	5.6
219.10040	1.8
221.06061	4.7
221.09532	1.7
222.06770	3.0
222.10197	1.2
223.07509	7.6
223.11174	3.4
224.08282	3.7
225.05565	2.4
225.09059	15.8
226.06134	1.6
226.09850	1.3
227.06946	6.3
229.08823	1.4
229.12209	2.5
233.09570	1.2
235.07553	2.9
236.08315	4.9
237.09111	3.8
238.06250	2.0
239.07018	7.7
239.10652	3.6
240.07661	5.3
241.08559	4.4
242.09409	2.8
247.07520	2.6
251.07022	3.2
251.10703	6.5
253.08572	16.3
254.09305	2.5
255.06494	3.6
255.09998	6.4
257.08084	1.8
257.11746	15.3
263.07034	1.4
265.08594	3.7
267.06467	1.6
267.10001	2.4
268.07458	2.3
268.10449	1.2
269.07983	2.4
270.08850	4.2
271.13388	2.6
279.10129	4.4
280.10904	1.4
281.07901	2.5
283.09665	12.0
283.13290	9.0
285.11197	35.8
285.14304	2.1
286.11673	2.3
296.10315	2.1
297.11209	3.3
299.09079	3.6
299.12732	4.9
300.09824	1.4
301.14291	2.1
302.11423	5.3
305.13708	1.4
311.12836	8.6
312.13297	1.3
315.12210	16.3
316.12457	1.1
317.13824	27.2
318.13940	1.4
329.14099	2.2
331.15359	4.1
343.15344	12.2
361.16489	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
50.95406	1.3
53.03920	2.8
54.40118	1.3
55.01858	2.3
55.05510	1.6
57.03410	1.6
65.03951	1.6
67.05486	5.5
69.03403	3.0
69.76329	2.6
69.76734	6.2
79.05487	14.3
81.07036	5.6
83.04982	1.9
83.08635	1.5
85.02930	1.9
85.06504	1.7
91.05478	23.1
93.07052	11.3
95.04971	10.8
95.08597	5.3
103.05467	10.4
105.07017	11.0
107.04952	34.3
107.08588	3.2
109.02853	2.0
109.06514	4.1
109.10149	3.1
110.00552	1.4
111.04445	3.5
115.05443	3.9
116.06255	1.8
117.06978	7.1
119.04956	8.2
119.08521	3.4
120.05734	2.4
121.06491	17.8
121.10126	1.8
123.04410	8.4
123.08032	2.3
123.11690	1.4
124.05205	4.9
125.06002	3.2
128.06186	8.0
129.06996	24.3
131.04047	1.7
131.04898	10.5
131.08553	12.5
132.05725	1.6
133.02795	2.1
133.06468	5.5
133.10121	2.5
135.04355	2.9
135.08043	5.4
136.05199	1.9
136.33900	1.7
137.05963	21.0
139.07507	2.2
140.04620	2.0
141.06949	2.9
143.08568	2.2
145.06477	8.6
146.03561	1.7
146.07285	3.6
147.04384	4.5
147.08031	2.1
148.05180	4.9
149.05963	6.6
149.09579	1.9
150.03212	1.4
150.06770	2.8
151.03897	4.8
151.07542	18.6
152.04678	3.8
152.06177	1.8
153.05466	16.0
155.06987	4.3
157.06473	18.9
158.07181	1.7
159.07983	3.3
161.05971	54.7
161.09592	16.1
162.06566	1.7
163.07521	24.8
165.05608	2.9
165.06912	8.3
165.09157	9.8
166.06236	10.3
166.07591	2.4
167.07040	68.1
167.08513	5.7
168.07399	2.6
171.08101	2.6
173.06055	1.5
174.06770	12.0
175.07545	7.8
177.05533	1.4
177.06958	3.3
177.09163	8.8
178.07736	2.7
179.06953	4.0
179.08502	3.6
180.07729	1.8
180.09258	1.8
181.05101	2.8
181.06787	3.2
181.08574	100.0
182.07390	6.7
182.08749	2.8
183.07967	2.6
187.07521	2.4
188.08214	1.9
189.09090	98.0
190.07715	1.8
190.09392	2.2
191.06981	2.7
191.08577	3.6
191.10551	2.5
193.06482	3.8
193.08591	4.1
194.07161	3.8
195.08051	9.3
197.06017	2.4
197.09612	11.7
199.07542	2.6
203.10616	1.7
205.06551	2.1
205.10323	1.6
207.08195	3.1
207.10109	31.3
208.08841	4.3
209.05991	3.3
209.09575	3.7
210.06790	6.2
211.07507	5.1
212.08279	2.5
215.07077	1.5
217.08476	1.9
219.08025	4.4
221.05908	5.4
222.06757	3.8
223.07565	9.4
223.11133	5.7
224.08307	2.9
225.05434	2.8
225.09090	17.1
226.06345	1.8
227.07008	8.0
227.10754	2.0
229.12151	3.5
233.09663	2.5
235.07520	4.9
236.04652	2.2
236.08295	4.3
237.08945	5.6
238.06398	2.2
239.06949	5.0
239.10658	3.8
240.07715	5.9
241.08568	4.3
247.07436	3.3
247.30299	1.6
251.06963	5.5
251.10583	6.5
253.08536	16.3
254.09250	2.3
255.06462	3.7
255.10170	6.2
257.11743	17.6
265.08676	2.8
267.06686	1.8
267.10165	4.0
268.07376	3.1
269.08163	2.9
270.08881	2.7
271.09540	1.7
271.13223	2.3
279.10126	6.6
281.08105	2.6
283.09625	14.7
283.13248	10.8
284.10513	2.4
285.08047	1.3
285.11169	34.5
286.11676	2.8
297.11148	4.9
299.09207	3.4
299.12738	5.2
300.09711	1.9
302.11368	3.6
311.12900	9.6
315.12189	21.0
317.13776	26.5
329.13782	4.8
331.15317	5.8
343.12173	1.8
343.15457	15.4
361.16461	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	361.1643
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
50.30871	1.8
53.03942	3.2
55.01862	3.4
67.05506	3.6
69.03414	3.2
71.60793	2.5
77.17615	1.7
78.04750	1.9
79.05502	13.8
80.83633	1.7
81.03399	3.0
81.07046	7.2
82.33894	1.7
83.04984	2.1
83.75521	1.6
91.05477	28.6
93.07044	16.3
95.04980	13.1
95.05516	2.3
95.08605	5.4
103.05473	11.3
105.07040	14.4
106.04182	2.6
107.04952	35.2
107.08590	4.3
109.06518	3.6
109.10169	2.6
110.03654	2.3
111.04458	3.3
115.05458	1.9
117.06998	6.1
119.04923	7.1
119.08601	2.3
120.05730	2.1
121.06504	24.7
123.04390	9.5
123.08086	2.6
124.05193	6.5
125.05987	5.2
128.06219	7.6
129.06998	31.1
131.04906	9.0
131.08568	13.3
133.02805	2.9
133.06477	5.8
133.10071	1.9
135.04437	3.3
135.08064	8.8
136.05231	2.1
137.05975	19.8
139.07542	2.0
140.04587	2.5
141.06990	2.1
143.08501	2.6
145.06477	7.8
146.03595	2.1
146.07306	4.2
147.04424	5.7
147.08040	4.5
148.05185	5.3
149.05956	7.8
149.09578	2.5
151.03879	3.8
151.07550	19.4
152.04654	3.5
152.06177	1.9
153.05461	14.7
153.06665	2.5
155.07080	2.2
157.06490	20.7
158.07173	2.0
160.05222	2.5
161.05986	57.4
161.09608	16.1
161.27228	2.0
163.07536	24.4
165.05618	2.7
165.06990	9.3
165.09126	9.8
166.06247	10.8
166.07590	3.5
167.07054	77.1
167.08502	7.0
171.08002	1.9
174.06763	15.3
175.07504	8.7
177.07057	2.1
177.09096	10.5
178.07610	3.0
179.07014	5.8
179.08562	6.1
179.10547	2.0
181.05095	3.0
181.06577	4.8
181.08592	100.0
182.07251	6.0
182.08905	2.8
183.08041	2.2
187.07581	3.4
189.09099	92.8
190.07751	3.7
190.09467	2.9
191.08533	4.4
191.10632	2.1
193.06447	3.1
194.07254	5.0
195.08052	14.7
197.06038	3.0
197.09596	12.4
199.07582	2.7
201.09102	1.8
203.10635	2.4
205.06616	2.3
207.08162	3.8
207.10098	28.1
208.08762	3.9
209.05836	3.4
210.06804	8.6
211.07542	4.4
212.08330	5.5
219.08026	7.9
219.10068	2.5
221.05936	5.7
221.09599	3.6
221.11716	1.9
222.06607	2.3
223.07559	10.7
223.11209	5.8
224.08231	3.0
225.05527	3.4
225.09068	20.3
227.06966	6.4
229.12238	3.5
235.07515	6.1
236.08305	5.4
237.09126	5.1
239.07042	3.9
239.10570	2.9
240.07785	5.6
241.08511	5.0
242.09390	2.6
247.07552	4.8
251.07034	5.3
251.10701	6.8
253.08640	16.0
255.06511	4.2
255.10170	7.5
257.08313	2.0
257.08902	2.4
257.11691	17.2
265.08661	4.3
268.07217	3.4
269.08066	5.2
270.08786	4.9
271.13306	3.2
279.10141	7.6
281.07861	3.2
283.09616	14.2
283.13217	10.1
285.07922	2.7
285.11191	34.5
296.10492	3.4
297.11261	5.5
299.09317	4.2
299.12711	3.8
302.11365	7.6
311.12955	9.6
315.12210	21.6
317.13794	28.5
329.13855	2.7
331.15213	3.9
343.15359	15.9
344.15906	2.0
361.06845	3.7
361.16534	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	361.1491
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03935	1.6
55.01864	1.9
55.05503	1.9
56.96554	1.7
57.03416	1.0
60.04528	0.9
61.02905	2.1
67.05478	1.7
69.03431	5.4
69.07083	0.8
70.06585	1.6
71.04973	1.5
71.48979	1.6
72.06405	0.7
75.16117	0.7
79.05486	8.5
81.03423	4.7
81.07049	3.3
83.04974	1.5
83.08591	0.9
84.08181	1.1
85.02908	12.3
86.09682	1.4
87.04517	0.9
91.03951	1.3
91.05458	6.3
93.07047	11.5
95.04981	4.8
95.08601	1.7
95.34881	0.7
97.02886	4.2
97.06503	2.7
98.97574	1.8
99.04453	2.2
103.05427	2.1
105.07006	1.1
107.04953	2.0
108.04512	0.8
109.02856	2.5
109.06507	1.3
111.04435	1.5
111.08065	1.3
113.02375	1.2
113.11227	0.7
116.98605	1.4
119.04916	1.0
119.08585	1.2
121.06502	18.9
122.03584	0.7
123.04413	2.0
123.08047	7.5
124.07538	1.0
126.05496	0.8
126.09141	0.8
127.03917	5.3
131.04906	4.0
133.02841	1.2
135.08044	1.2
137.05969	12.4
137.09541	0.9
139.07533	15.5
140.07878	0.9
145.04897	1.5
147.04408	1.0
147.08014	1.0
149.05984	7.9
149.60403	0.8
151.07558	1.6
161.02982	1.5
161.06000	1.0
163.03868	1.0
163.07504	5.4
164.04282	1.3
165.09106	13.0
167.07033	100.0
168.07388	2.6
177.00732	0.9
181.04945	0.8
181.08533	1.3
181.12302	0.7
183.10226	1.6
184.70575	0.7
185.08131	3.9
191.05537	0.9
199.09633	34.3
200.10049	1.0
217.03883	1.5
237.02873	1.4
237.11249	1.2
251.06766	1.0
264.05743	1.0
271.09531	1.5
285.88611	1.0
292.13675	3.4
297.11349	0.8
301.11481	1.1
304.13675	2.4
343.12723	2.2
361.13986	10.5
361.18839	3.1
362.12372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24757	0.7
56.96571	1.0
57.86367	0.8
69.03424	1.6
69.41412	0.8
70.06593	2.5
70.13374	3.8
74.06065	0.9
84.08102	0.9
85.02900	4.0
86.09676	1.3
97.02877	1.7
98.97601	1.4
104.88216	0.8
105.08619	0.8
112.63620	0.8
125.07126	1.5
127.03902	1.0
146.99800	1.0
155.08577	1.1
165.06938	6.4
167.07097	1.0
169.06483	1.9
177.07133	0.8
178.07816	2.7
179.08542	15.7
181.06514	2.3
181.09854	4.6
183.08029	24.0
189.07011	2.2
191.08614	3.4
193.06334	4.8
193.08034	1.3
194.07312	2.8
195.08054	1.6
197.06068	2.4
199.10782	7.2
200.09245	2.4
206.07407	1.7
206.09384	1.1
207.08041	58.5
208.08545	1.4
209.09605	4.5
210.09105	6.7
211.05638	0.8
211.07518	15.3
211.09373	1.1
217.06522	4.8
218.07431	1.1
219.08121	2.3
221.05894	9.2
223.07574	3.6
234.09209	3.0
235.07529	100.0
236.08194	2.0
236.10774	2.3
237.09103	9.5
238.08679	4.5
239.07019	59.6
240.07582	1.8
249.16055	0.9
252.10188	71.8
253.08447	1.4
262.08655	1.0
263.07013	8.7
267.06653	1.5
280.09714	11.7
281.08075	48.5
282.08493	1.4
282.11407	1.4
284.09131	6.1
297.12317	40.1
298.10718	76.2
299.11279	1.6
308.08997	1.0
309.07663	1.0
315.13373	15.2
317.12247	1.3
326.10266	13.8
327.08881	1.4
343.12881	76.3
344.10968	5.9
361.14166	45.0
362.14365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1102
Annotation	PD 169316
Peak:m/z	Relative Intensity
56.96549	0.5
59.06122	0.4
70.74458	1.0
70.74819	0.3
72.91026	0.3
73.02902	0.4
83.04955	0.3
84.04485	0.5
85.02879	1.3
86.09711	0.4
97.02872	0.7
98.97579	0.9
109.79677	0.3
116.98593	0.6
119.01904	0.6
122.05991	0.4
127.03945	0.4
133.44810	0.4
136.06172	0.7
136.07547	0.6
140.07130	0.4
142.08615	0.6
161.03009	0.4
163.08643	0.3
177.00748	0.7
198.04628	0.6
199.05772	1.1
199.10780	1.0
237.02838	0.5
245.05038	1.2
252.10229	0.4
361.11017	100.0
361.60275	0.4
362.11493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	3.3
56.96564	57.4
57.03434	4.7
57.22760	2.6
60.04516	6.1
61.02914	8.7
69.03423	5.3
69.91658	10.8
69.92076	5.9
71.04987	3.3
81.03398	5.1
81.04537	2.6
84.96020	13.1
85.02894	9.5
95.04941	2.7
96.04501	4.1
97.02886	11.5
98.97575	62.8
105.03386	2.7
116.98618	88.0
119.01916	29.1
126.05544	2.8
128.98601	6.5
131.01894	3.7
133.03397	3.4
134.99651	82.9
137.02942	18.0
138.05392	3.0
142.03499	4.9
145.03477	2.9
146.99640	8.5
153.00711	19.0
156.97893	3.0
158.01282	8.4
161.01183	6.8
161.02965	5.0
162.99216	4.3
174.97585	6.1
177.00931	8.5
179.00667	3.6
181.00394	3.1
186.99171	6.7
192.96803	3.2
192.98706	9.3
198.97923	4.0
199.04506	3.2
201.00925	5.1
203.02312	3.7
203.04025	3.7
205.02173	5.3
212.92293	3.7
216.98723	39.9
219.02008	21.4
219.03806	4.0
221.05318	3.7
224.94557	2.5
230.93303	16.2
232.96477	3.8
234.99756	100.0
236.00067	4.8
238.45717	2.7
243.02069	11.0
248.94386	10.2
249.02415	18.5
250.97481	2.8
252.45782	4.1
253.00722	4.2
254.53349	2.9
254.93404	6.1
255.95361	3.1
256.45203	3.5
256.96918	9.5
257.97440	12.1
258.01529	7.5
258.94540	3.3
258.97394	4.6
261.03107	9.7
263.97446	3.3
267.03482	36.2
269.94992	4.2
272.94363	89.7
272.98831	5.4
273.02844	3.4
274.97809	4.9
275.00720	4.3
276.95847	4.1
277.45624	4.0
277.95398	4.0
280.93188	4.1
287.24200	2.9
287.44205	3.0
289.95792	3.0
290.92361	2.6
290.95435	64.9
292.43704	3.6
293.02106	4.7
295.95895	8.5
296.94797	11.0
298.97247	3.9
300.90927	2.9
305.08759	3.7
305.44031	2.9
307.94788	4.0
313.96948	4.0
314.95428	97.6
315.95859	7.0
316.45792	3.7
316.95551	3.9
316.98853	6.0
323.09775	9.9
331.93478	4.4
332.91019	17.0
332.96429	16.0
333.24802	13.8
333.41397	4.3
334.93967	3.0
335.42502	4.3
335.91943	4.1
336.95825	3.2
337.01248	6.4
337.04739	7.7
337.45361	3.7
337.97339	15.5
338.45001	4.6
341.91782	14.3
342.41556	3.0
343.93533	5.3
344.42267	8.4
345.41806	4.6
346.45462	7.7
346.95230	12.0
347.44992	3.6
350.92422	3.3
352.92819	4.3
353.42661	7.3
355.40936	3.7
355.45316	3.7
355.95908	3.7
361.04276	4.5
364.93311	5.0
379.16275	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.32460	0.4
56.10145	0.3
57.03451	0.5
60.04538	0.4
65.03932	0.7
69.03425	1.1
70.06606	0.4
70.72139	1.3
73.02901	0.5
79.05515	0.5
81.03399	0.6
85.02901	4.0
86.09713	1.5
91.05479	0.7
95.04964	1.2
97.02886	1.4
105.07011	0.6
107.04955	1.1
109.02852	0.6
120.08114	0.4
121.02840	2.7
121.06512	0.4
121.10129	0.4
127.03925	0.8
133.02815	2.4
135.04420	1.9
137.05995	0.8
145.04980	1.2
148.20644	0.4
149.02333	100.0
150.02686	1.4
158.40096	0.4
161.05923	0.7
163.03897	68.9
164.04236	1.2
167.03400	1.7
167.07028	0.6
180.08656	1.1
181.04948	35.3
182.05275	0.9
189.09094	0.7
198.11168	0.4
333.07394	0.6
337.81735	0.4
361.06924	1.2
383.88196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54533	1.0
55.01864	10.5
56.96555	2.3
57.03432	14.4
60.04499	1.0
61.02925	7.5
61.44468	0.9
62.06083	1.5
66.98539	0.9
69.03423	35.7
70.10117	0.9
71.04989	2.2
72.41261	1.0
73.02912	20.7
81.03419	4.3
83.04987	1.4
84.08089	1.1
85.02898	100.0
87.04475	1.7
91.03941	2.3
97.02885	36.7
97.49088	0.9
98.97536	2.7
99.04463	7.0
100.43694	1.0
101.00930	1.1
101.02342	5.7
101.06039	1.0
103.03846	1.0
106.05004	1.1
109.02863	7.9
115.03928	4.5
116.98612	1.7
117.03268	1.0
119.01881	3.8
127.03909	79.3
128.04254	2.6
139.03882	1.2
145.04950	77.0
146.05234	1.3
146.99579	1.2
157.03423	1.7
161.02916	2.9
163.06015	20.9
168.04456	1.3
173.02962	3.3
175.04501	1.8
177.05400	4.0
180.08688	3.6
181.04942	1.6
189.02365	1.4
190.05739	2.0
198.07854	1.2
198.09666	2.4
199.06276	4.0
208.06776	1.4
213.02596	1.5
221.05156	1.2
229.23830	1.2
237.02682	1.3
245.05025	1.2
253.07559	1.7
255.05373	1.5
259.08389	1.3
264.05920	2.5
265.08344	1.8
271.08350	5.7
275.47998	1.0
277.07797	4.6
280.08783	2.6
289.08875	1.3
295.08688	7.3
317.11926	1.3
324.80603	1.0
326.33786	1.0
337.09442	1.6
361.07028	1.4
361.11008	5.9
379.10934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2788
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.03946	2.5
55.05510	20.7
57.07073	14.6
58.57480	1.8
58.95580	1.8
60.54889	1.8
62.02567	1.8
67.05504	25.2
69.03416	8.6
69.07067	57.0
70.09289	10.3
71.04977	4.8
71.08628	4.5
79.05488	11.7
81.07055	77.4
83.04971	2.3
83.08616	33.9
85.06522	5.9
91.05463	12.7
93.07036	44.1
95.04961	4.8
95.08601	63.4
97.06516	5.3
97.10170	14.0
105.07025	19.2
107.08589	47.5
109.06533	9.7
109.09458	3.1
109.10157	47.3
111.08067	8.7
111.11702	6.1
117.06971	2.2
119.08579	19.5
120.88665	2.4
121.06481	3.9
121.09310	3.3
121.10133	52.4
123.08025	4.1
123.11709	24.7
125.09578	3.6
125.13243	3.3
129.06969	2.3
131.04875	2.6
131.08566	5.5
133.10109	22.7
135.08029	3.3
135.11678	14.2
137.09621	26.2
137.13245	22.8
143.08546	4.1
145.10100	5.7
147.08049	7.0
147.11673	12.9
149.09589	8.7
149.13272	23.7
151.11151	2.7
151.14790	4.4
153.12737	2.2
155.10779	2.2
157.10123	3.5
159.11659	4.1
161.09628	25.6
161.13251	3.2
163.11177	8.3
163.14807	4.6
165.09077	13.5
167.10692	13.5
167.14302	4.7
173.13251	2.8
175.11160	10.0
175.14827	9.7
177.16344	6.6
179.10698	15.2
179.17966	4.2
181.12177	15.6
187.14783	2.3
189.16278	4.1
191.17989	4.2
193.12245	8.5
195.13751	2.9
203.17926	3.0
205.19511	3.3
209.19019	5.4
211.13187	2.6
221.15193	2.2
235.16972	3.3
245.22636	6.1
249.18443	3.4
259.24182	7.5
267.10321	2.1
269.22687	9.1
279.26797	3.3
287.23611	20.9
301.61768	2.0
305.24734	68.4
306.25177	2.3
313.10580	5.6
313.14127	2.6
323.25800	100.0
324.26083	4.1
327.12119	2.4
341.13885	2.9
341.26990	12.3
359.10983	2.5
359.15051	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	359.2788
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.03931	5.1
55.05517	26.6
56.96557	5.3
57.07065	8.3
61.68339	4.1
63.26765	4.1
66.44098	3.7
67.05496	19.1
69.03430	6.2
69.07062	63.5
69.40625	43.6
71.04991	9.1
76.58365	3.9
79.05482	14.0
81.03435	4.3
81.07056	71.3
83.08623	35.0
85.02895	10.8
85.04409	3.9
85.06583	3.9
91.05459	10.3
93.07053	31.0
94.22964	3.9
95.04955	6.4
95.08591	63.3
97.06541	5.8
97.10164	13.2
105.07023	24.5
107.04945	5.6
107.08592	45.5
109.06518	6.1
109.10160	44.9
111.04462	5.1
111.08086	9.8
111.11705	9.0
117.85252	4.2
119.08596	18.0
121.06474	8.3
121.10139	43.1
123.04416	16.8
123.11715	17.8
125.05994	5.1
125.09660	4.4
127.03920	6.1
131.08557	8.9
133.10123	30.3
135.11699	17.4
137.05898	5.4
137.09636	24.7
137.13202	22.4
143.08600	7.1
145.04916	6.1
145.10085	8.8
147.08047	5.9
147.11667	18.0
149.09637	8.9
149.13222	19.3
161.09616	26.2
161.13289	14.4
163.07614	4.1
163.11217	7.2
163.14862	5.8
165.09102	12.5
167.07021	37.8
167.10672	15.6
167.14336	7.2
175.11182	9.5
175.14819	6.2
179.10680	16.6
181.12213	11.3
189.12671	6.9
189.16417	4.8
193.12236	9.7
197.11755	8.2
205.12254	8.1
245.22736	7.4
259.24307	4.6
269.22446	6.5
287.23730	19.7
305.24692	52.2
306.25064	5.0
323.25769	100.0
329.17883	5.7
330.12457	5.0
359.16046	6.9
359.26306	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	359.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.9
55.01855	8.4
55.05507	27.1
56.96557	6.1
57.03427	10.4
57.07058	13.9
59.05001	3.8
60.56963	3.4
61.02930	4.2
67.05502	45.1
67.83739	3.5
67.90292	3.6
69.03424	25.8
69.07066	44.7
69.52937	11.3
69.53350	20.5
71.01340	3.5
71.04983	7.0
79.05482	17.4
81.03416	10.6
81.07053	83.2
82.07470	5.1
83.04980	6.9
83.08608	17.6
85.02423	8.3
85.02905	100.0
85.06070	4.7
85.06544	61.9
85.07018	7.7
87.04451	4.1
91.05482	12.5
93.07034	27.7
95.04959	9.2
95.08602	70.5
97.02905	21.1
97.10156	17.8
99.04459	9.2
99.08063	9.2
105.07034	27.6
107.04918	7.2
107.08591	31.8
109.02856	12.1
109.06504	10.8
109.09450	6.7
109.10155	91.8
111.04424	6.1
111.08109	5.4
111.11736	5.4
113.09666	4.3
115.03875	5.1
116.98656	4.2
119.08570	15.6
121.06522	4.2
121.10122	22.5
123.08045	6.4
123.11706	57.1
125.09600	4.9
127.03930	27.1
127.11171	11.2
131.08525	9.2
133.04846	3.8
133.06462	4.4
133.10129	13.8
135.08017	4.8
135.11700	20.3
137.06007	4.6
137.09636	7.9
137.13235	10.5
139.00191	5.2
139.11169	5.4
143.08551	9.0
145.04948	11.3
145.10159	7.1
146.99712	4.6
147.08034	5.3
147.11664	13.3
149.09660	5.1
149.13246	10.2
149.25784	3.9
151.11217	7.0
153.09084	3.8
159.11700	9.6
161.09569	3.9
161.13229	8.8
161.17966	4.3
163.11194	4.6
169.10065	6.4
171.11696	5.1
173.09651	5.1
173.13249	6.3
175.11168	4.4
175.14882	7.5
177.16388	9.6
179.17885	9.5
181.04988	4.4
189.16353	5.4
191.17839	18.9
197.11697	4.4
197.18977	5.2
199.14745	4.7
201.16316	6.1
203.14272	5.9
203.18011	5.0
209.18945	24.1
215.17946	6.7
219.13867	4.5
219.17618	4.4
233.38455	4.9
245.19113	6.5
257.07925	4.3
269.19061	5.1
287.20001	7.6
297.84494	4.0
305.21106	10.7
313.10425	5.8
323.22125	5.7
341.13385	4.1
359.14774	9.3
359.22412	7.1
359.73361	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55322	0.9
53.03948	1.2
57.03429	1.7
57.21882	0.9
61.02919	1.8
67.05506	1.5
69.03432	7.4
69.07046	1.8
69.79591	3.0
69.80032	3.5
70.06579	1.0
71.04976	2.1
73.02897	1.2
79.05482	1.1
81.03397	2.9
81.07059	2.6
85.02897	26.1
86.03287	1.0
86.09700	2.6
91.03973	1.2
91.05460	3.4
93.07037	6.5
95.04940	3.1
95.08603	1.5
97.02905	6.3
99.04453	1.1
105.07012	4.9
107.04958	1.4
107.08581	18.3
109.02873	3.3
109.06496	2.4
109.10161	2.6
119.08552	3.3
121.06479	2.5
121.10180	1.0
123.11704	1.9
127.03888	4.2
131.04907	1.5
131.79851	0.9
133.10130	18.2
135.11696	17.0
137.05954	2.2
137.09601	2.3
141.05452	0.9
145.04976	2.8
151.11153	1.7
161.09621	8.1
179.10664	38.3
193.99362	1.2
197.11720	100.0
198.12077	1.8
227.35518	1.1
255.10143	1.1
359.12863	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.90608	0.8
55.05492	0.9
60.03625	0.8
61.02915	1.5
69.03417	3.6
70.86548	3.0
74.38929	0.8
76.83293	0.9
81.03407	1.1
81.07054	1.8
81.70550	0.9
85.02892	9.1
86.09690	2.6
91.05476	2.1
92.93774	1.1
93.07033	5.1
95.08580	2.1
105.07023	6.1
107.04951	1.0
107.08583	28.1
109.02848	1.6
109.06495	1.1
109.10160	1.9
112.25161	0.8
119.08575	4.8
121.10139	5.6
125.09570	1.0
131.08604	1.1
133.06502	1.1
133.09196	0.7
133.10126	15.1
137.06000	1.5
145.04901	1.1
149.09637	3.2
149.67398	1.0
151.07489	1.6
151.11171	5.0
161.09583	4.7
167.10658	11.1
179.10684	13.2
179.76007	0.9
197.11710	100.0
198.12067	3.0
201.12329	0.9
284.34708	0.9
359.08887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
66.57298	0.6
67.05492	0.9
69.07041	1.3
71.46585	0.8
71.46894	0.7
79.05474	0.9
81.07052	1.7
85.02863	0.8
91.05449	2.4
92.39138	0.6
93.07015	0.8
95.04940	1.3
95.08582	0.8
105.07017	1.9
107.04918	2.2
107.08534	0.9
109.06483	2.0
109.10111	1.3
111.04405	1.1
111.84221	0.6
115.05452	2.1
121.06484	1.7
122.03593	1.2
131.04939	1.0
133.06468	0.9
137.05966	29.5
143.04950	3.7
146.03661	3.0
149.05966	4.4
151.03926	1.0
151.07455	1.0
151.33774	0.7
152.04655	1.1
153.05417	0.8
154.07721	1.0
159.07953	0.7
160.05154	1.3
161.05968	29.2
162.06728	0.9
163.07562	1.7
165.06987	11.8
166.07588	1.0
167.07042	2.7
167.08517	1.4
175.07526	5.0
177.05515	0.8
178.07747	1.7
179.07030	2.0
179.08533	5.0
181.04999	0.8
181.06479	1.8
182.07257	5.4
188.04666	7.6
189.06923	1.1
191.07018	3.8
193.06471	17.2
194.07179	2.0
195.08040	3.3
196.08884	2.0
197.05794	0.7
197.09630	3.5
199.07524	1.5
202.04909	1.1
203.07027	17.7
205.06581	0.7
205.08580	1.8
206.07204	1.5
207.08116	4.6
207.09918	1.0
209.05927	1.8
209.07860	0.7
210.06740	16.5
211.07513	2.7
217.06470	0.9
218.07263	1.0
221.05956	30.5
221.09436	1.2
222.06577	2.3
223.07500	1.6
224.08269	7.6
225.09079	28.0
226.09459	1.3
227.06935	4.0
234.06821	2.5
235.07581	5.2
235.09549	1.2
236.08315	1.0
237.05461	2.3
238.06229	9.3
238.09859	0.9
239.07021	2.2
239.10683	4.6
242.09184	1.2
249.09122	4.4
251.07030	2.5
252.07819	7.9
253.08580	49.1
254.09160	2.6
255.06450	4.8
257.11728	0.8
262.06357	1.6
263.07040	1.5
266.09384	1.1
267.10156	22.5
269.08041	1.5
270.08826	6.1
277.08582	11.2
278.09164	0.9
279.06635	1.6
280.07318	2.8
283.09656	1.0
285.11194	94.6
286.11417	2.0
294.08929	2.9
295.09622	10.8
297.07767	0.7
299.12720	2.2
309.11194	20.0
309.98856	0.7
311.09003	1.2
312.09799	2.2
313.10635	2.6
313.14359	2.0
327.12247	100.0
328.12637	1.8
341.13757	1.3
359.14893	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	359.1486
Annotation	Leptolide
Peak:m/z	Relative Intensity
53.41575	0.5
55.01855	1.3
57.03410	0.8
64.83325	0.6
65.03931	2.8
65.36140	0.6
67.05489	1.7
69.03404	0.8
69.07066	0.9
70.83441	0.7
70.83771	1.2
76.66458	0.6
77.96353	0.6
79.05489	1.3
81.07037	0.7
82.04169	1.0
84.71114	0.5
85.02891	1.3
91.05470	1.7
93.03404	0.8
93.07027	0.9
95.04973	1.7
95.08598	0.7
97.06525	0.8
98.72395	0.6
101.02274	0.6
103.05484	0.7
105.07016	0.8
107.04988	3.1
107.05594	0.6
110.03638	2.3
111.04426	2.6
111.28662	0.6
112.23013	0.6
116.06232	0.7
117.06994	0.7
119.08554	0.8
121.02864	5.9
121.06477	1.4
123.04462	0.9
123.99183	0.6
125.05991	3.6
127.61625	0.7
128.06203	0.9
129.06995	0.8
131.04930	0.9
135.04466	0.7
135.08087	2.8
137.05945	1.0
142.02605	0.9
144.05672	2.2
145.06479	1.8
147.08092	0.8
149.02351	2.3
149.05896	1.0
151.03928	0.8
152.06201	1.2
153.05457	3.8
153.06935	1.0
154.07797	0.8
157.06506	0.7
159.08029	4.6
161.05945	1.9
161.09610	2.6
165.06987	2.6
166.07782	0.8
167.07045	4.3
167.08559	2.1
169.06502	1.3
171.06534	2.4
177.07013	1.1
178.07768	2.4
179.08527	1.2
181.04944	20.9
181.06487	3.9
181.10065	0.6
182.07210	1.5
183.08067	1.6
184.05298	0.9
184.08749	0.8
187.07457	1.2
189.06966	0.8
190.07693	0.9
191.08522	1.3
192.09503	1.0
193.06477	0.9
193.10155	0.9
194.07256	2.6
195.08066	8.2
196.08739	1.5
197.05942	2.8
197.09589	2.0
198.06818	0.8
199.07573	1.1
202.07721	0.7
203.08560	0.9
205.06480	1.9
206.07254	2.7
207.08067	2.3
208.08772	0.9
209.06004	2.2
209.09567	2.8
209.13380	0.6
210.06757	4.5
210.10263	0.8
211.07536	4.6
211.11023	0.8
212.08270	4.1
213.05183	0.7
213.09056	1.4
214.06235	0.8
219.07990	1.5
220.08789	1.4
221.06078	1.2
221.09608	9.4
222.06746	2.0
222.10371	2.1
223.07524	9.6
223.11102	0.9
224.08304	6.0
224.94217	0.6
225.05507	1.6
225.09047	4.4
226.06218	1.1
226.09976	0.9
227.06985	5.2
227.10617	2.1
229.08621	0.9
233.09468	0.6
234.06726	1.7
235.07599	3.1
236.08257	1.1
237.05460	1.8
237.09068	8.3
238.06232	2.7
238.09883	7.5
239.06938	6.5
239.10695	2.3
240.07794	11.0
241.08650	2.8
242.05664	1.9
248.08228	1.5
249.09018	5.8
250.06264	0.8
250.09804	2.2
251.07008	5.7
251.09370	0.6
251.10718	1.1
252.07793	6.3
252.11559	0.7
253.08578	19.7
253.12210	7.9
254.05708	0.9
254.09268	2.5
255.06512	5.5
255.10161	7.0
256.07199	0.8
257.08060	6.5
263.07080	1.0
263.10483	0.7
265.08603	6.1
266.05811	0.8
266.06558	0.9
266.09296	5.9
267.06567	1.1
267.10095	6.2
268.07260	4.9
269.08047	12.5
269.11487	1.0
270.06342	0.6
270.08746	3.6
271.09433	0.8
272.10410	0.7
277.08508	1.6
279.10028	1.1
280.07477	1.0
280.10751	0.9
281.08109	6.5
281.11697	8.3
282.08820	1.9
282.12323	1.4
283.06061	2.7
283.09634	14.9
284.10370	3.3
285.07437	2.5
285.11157	1.9
294.08698	0.9
295.09698	2.8
297.07562	5.1
297.11206	2.0
298.08301	8.4
298.11960	3.1
299.09311	1.1
299.12689	5.8
300.09918	17.7
300.13269	1.4
301.10577	0.9
309.11050	5.3
310.11853	1.9
311.09033	2.0
313.10666	74.1
313.14334	49.4
314.10968	2.5
314.14676	2.3
325.10739	1.0
326.11459	5.4
327.12241	31.2
328.12833	2.1
331.15375	18.6
341.13800	44.6
342.14047	1.7
359.14853	100.0
360.15286	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.05481	0.7
65.03932	3.7
67.05491	2.0
69.03426	2.3
69.07048	1.8
69.91833	4.8
71.04984	1.3
79.05484	2.7
81.03386	1.1
81.07056	3.8
82.04185	0.7
85.02903	1.6
85.06555	0.8
91.05461	2.9
93.03382	1.0
93.07025	1.7
95.04977	1.2
95.08585	3.3
97.06486	0.9
105.06985	2.2
107.04960	3.1
107.08577	1.8
109.10130	2.7
110.03636	2.5
111.04417	3.1
111.11650	0.7
115.66070	0.8
117.07001	0.8
119.08601	1.3
121.02860	6.5
121.06495	1.9
121.10128	2.5
123.04439	1.4
123.11768	1.0
125.05953	3.8
128.06160	1.3
129.06989	1.7
131.04941	2.3
131.08598	1.1
133.10123	0.8
135.08040	3.4
135.11659	0.9
135.80748	0.7
137.05951	2.0
138.03088	1.0
141.06946	1.0
142.02597	1.0
144.05661	1.9
145.06439	1.7
145.10132	0.8
147.08054	1.6
147.11670	0.9
149.02292	1.5
149.13275	1.5
151.03883	1.3
152.06154	1.1
153.05452	4.4
153.06906	1.4
159.08069	4.9
161.05988	1.7
161.09589	2.8
165.01886	0.7
165.06970	3.2
166.07880	1.2
167.07042	4.8
167.08575	3.5
169.06471	1.3
171.06467	2.2
171.07841	0.8
175.07500	0.9
177.05403	0.7
178.07779	2.7
179.08501	3.0
181.04985	24.3
181.06477	3.9
182.07245	2.6
183.08061	2.3
184.08774	1.1
187.07568	1.5
189.07027	1.2
191.08574	2.6
192.09167	0.7
193.06456	0.8
193.10100	0.8
194.07265	2.3
195.08037	8.2
196.05119	0.9
196.08899	0.7
197.05951	3.0
197.09618	2.9
198.06775	1.2
199.07610	0.9
203.08473	1.0
205.06564	1.9
206.07230	2.0
207.08023	3.1
209.05945	2.0
209.09628	2.1
210.06712	5.1
210.10220	1.7
211.07507	6.3
212.08331	3.3
213.09070	1.4
219.08194	1.3
220.08774	1.5
221.06142	1.9
221.09627	10.3
222.06772	2.8
222.10370	3.0
223.07535	10.3
223.11180	1.5
224.04721	0.9
224.08383	4.4
225.05618	0.9
225.09088	6.3
225.12563	1.1
226.06261	0.9
226.44110	0.9
227.06967	4.1
227.10657	2.5
229.08614	1.5
234.06758	1.7
235.07527	3.0
235.11160	1.0
236.08293	1.4
237.05486	1.4
237.09059	8.1
238.06310	4.0
238.09886	6.9
239.07011	4.0
239.10632	2.2
240.07805	10.6
241.08569	2.5
242.05736	2.1
242.09372	0.9
248.08400	1.6
249.05327	1.0
249.09103	6.9
250.06325	1.3
250.09789	1.6
251.06955	5.7
251.10654	1.7
252.07819	5.6
252.11603	1.0
253.04843	1.0
253.05672	1.1
253.08588	22.9
253.12241	7.3
254.09354	3.0
255.06551	4.8
255.10117	7.5
256.07202	0.9
257.08051	7.7
263.06775	0.9
264.07919	0.8
265.08621	5.7
266.09290	4.8
267.06723	1.1
267.10110	6.0
268.07330	5.5
269.08047	11.4
270.08691	4.5
277.08652	1.1
279.06647	1.3
279.10080	1.4
280.07248	1.2
281.08099	7.2
281.11719	8.2
282.08817	2.0
282.12402	2.0
283.06055	4.2
283.09647	14.7
284.10382	3.0
285.07535	4.3
285.10828	1.4
285.14792	1.0
295.09677	2.5
297.07584	6.5
297.10977	1.5
298.08337	7.5
298.11926	3.0
299.09436	1.2
299.12781	6.7
300.09897	18.3
305.24667	1.3
309.11108	6.7
310.11853	1.5
311.09174	2.5
313.10675	78.1
313.14340	55.3
314.10974	2.8
314.14517	1.8
325.10709	1.8
326.11478	7.0
327.12247	31.7
328.12894	1.7
331.15356	18.7
331.19183	1.3
341.13800	44.1
342.14114	1.0
359.14865	100.0
360.15216	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Leptolide
Peak:m/z	Relative Intensity
52.79055	1.0
53.03950	0.8
55.01864	1.3
55.05497	2.4
57.07057	1.5
58.08942	1.1
65.03928	3.7
67.05492	4.3
69.03417	3.3
69.07052	3.6
69.51717	8.3
73.02914	1.0
78.86672	0.9
79.05482	2.6
81.03413	1.6
81.07049	8.8
83.04962	1.2
83.08614	1.6
85.02910	6.2
85.06523	3.9
91.05470	3.8
93.07021	4.5
95.01343	1.0
95.04957	3.5
95.08591	6.2
97.02879	1.8
97.06533	1.7
97.10120	1.1
103.05444	1.2
105.07040	2.4
107.04950	4.4
107.08588	3.6
109.02872	2.2
109.06531	2.2
109.10159	7.5
110.03633	2.6
111.04424	3.8
111.08086	1.1
115.05431	1.3
119.04926	1.2
119.08554	2.6
121.02876	3.8
121.06484	3.2
121.10137	2.2
123.04414	3.2
123.11700	3.0
125.05981	5.6
127.11188	1.5
129.06975	1.5
131.04900	3.1
131.08554	1.6
133.10121	1.8
135.04356	1.3
135.08067	2.7
135.11684	1.2
137.05962	5.8
137.13248	1.2
141.06972	1.2
144.05707	1.8
145.06468	1.3
145.10123	2.4
147.07994	1.3
147.11690	1.3
149.02353	1.9
149.05989	2.1
149.09581	1.1
149.13147	1.2
151.03847	1.8
151.07489	1.7
153.05530	2.4
153.06931	1.4
159.08040	3.5
161.05983	3.1
161.09604	2.1
163.07475	2.9
163.11115	1.9
165.05623	1.0
165.06964	3.8
165.09084	1.1
166.07841	1.5
167.07030	5.4
167.08554	2.3
168.05681	1.3
169.06516	1.0
171.06596	1.0
175.07478	2.9
177.05499	1.0
177.07010	1.2
177.09061	1.4
178.07726	2.7
179.08499	2.3
181.04953	13.2
181.06474	3.1
182.07295	2.0
183.08067	2.2
184.08778	0.9
187.07489	1.4
191.08656	1.2
193.06458	2.7
193.10094	1.6
194.07219	2.1
195.07999	7.6
196.05247	1.3
196.08751	1.9
197.06018	3.8
197.09612	1.9
198.06755	2.6
199.07590	1.3
203.08624	1.6
205.06503	3.5
206.07240	1.8
207.08078	3.6
208.08920	1.4
209.05969	2.3
209.09592	2.4
210.06717	3.1
211.07529	6.3
212.08311	3.8
213.05490	1.8
213.09178	2.6
219.08023	1.9
220.08775	1.8
221.05951	1.5
221.09625	7.2
222.02216	1.1
222.06763	2.3
222.10432	1.5
223.07506	9.1
223.11107	1.6
224.08286	3.3
225.05510	2.0
225.09120	5.9
226.06210	1.3
227.07076	3.9
227.10593	1.9
234.06700	3.0
235.07523	2.8
236.08304	1.1
237.05531	1.4
237.09094	6.7
238.06302	3.0
238.09848	5.2
239.06978	7.3
239.10652	1.7
240.07712	9.3
241.08594	4.2
242.05670	1.7
248.08218	1.4
249.09100	6.2
250.06186	1.0
250.09676	1.8
251.07043	7.1
251.10587	1.2
252.07863	3.8
253.08569	14.2
253.12318	6.2
254.09283	2.9
255.06511	5.2
255.10100	5.6
256.07300	2.9
257.08102	7.7
263.10742	1.2
265.08591	6.5
266.06351	0.9
266.09360	4.0
267.06662	2.2
267.10165	7.4
268.07303	5.4
269.08075	9.6
269.10770	1.3
270.08917	2.6
271.09631	2.2
277.08542	1.9
279.10165	1.3
281.08115	6.0
281.11697	6.7
283.06067	2.9
283.09637	9.7
284.06738	1.2
284.10214	1.9
285.07574	3.8
285.11215	4.3
285.14600	1.5
294.09033	1.3
295.09619	7.1
296.10071	1.2
297.07516	4.0
297.10913	1.7
298.08307	5.3
298.11798	1.9
299.09134	12.5
299.12738	6.5
300.09906	14.5
309.11270	7.6
313.10684	54.5
313.14343	33.2
314.11230	1.4
323.25583	1.1
325.10934	1.2
326.11496	5.8
327.08420	1.4
327.12219	18.9
328.13000	2.2
329.14005	1.1
331.15323	13.1
341.10144	6.0
341.13773	30.8
359.14859	100.0
360.15280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1495
Annotation	Bakankoside
Peak:m/z	Relative Intensity
51.31496	0.3
51.90813	0.3
53.03941	0.4
56.96576	1.7
57.03434	1.8
57.27277	0.3
61.02905	1.4
67.05495	0.4
67.46915	0.4
69.03433	3.5
69.61412	2.5
70.06562	0.4
71.01345	0.4
71.04986	0.5
73.02924	2.9
81.03390	1.3
83.04961	0.3
84.04464	0.4
84.08102	0.6
85.02901	5.0
87.04441	0.9
91.05466	1.5
97.02878	2.7
98.96317	0.3
98.97570	1.9
99.04436	0.6
103.05476	0.7
105.07008	1.2
108.08098	1.2
109.02893	0.4
110.75169	0.3
110.97542	0.5
111.04491	0.4
112.99100	0.8
113.03461	0.4
115.05479	0.7
116.98629	1.1
117.05771	2.4
118.06538	0.4
119.01884	0.7
119.04924	0.3
120.08065	0.3
122.06043	0.5
122.09698	0.5
123.06802	0.7
124.07565	0.4
127.03883	1.2
128.98589	0.7
130.06520	1.1
131.00154	1.3
131.07288	0.6
132.08087	5.9
133.05182	0.8
134.06010	3.5
136.07576	3.8
138.05486	1.4
140.07089	0.5
144.57782	0.3
145.04993	0.7
146.99590	0.4
147.06784	3.9
148.07567	18.9
149.01187	0.6
149.05867	0.6
149.08255	0.7
150.09138	6.5
152.05865	0.4
152.07069	7.4
153.07787	1.2
154.01749	0.4
158.99692	0.5
160.07579	16.9
162.05432	0.4
164.07065	1.3
166.08627	0.5
173.01244	0.7
175.02603	0.4
175.53816	0.4
177.00743	0.6
178.08629	44.5
179.09167	0.9
180.10158	1.1
180.55170	0.4
186.99112	0.5
188.09180	0.4
189.00708	0.4
194.08167	0.4
195.08434	0.5
196.02771	1.0
196.09685	52.5
197.10037	0.9
206.25946	0.3
213.08734	0.5
214.03848	2.0
219.01711	0.7
223.07939	1.0
232.05048	0.6
237.02747	2.1
245.05040	0.5
250.07002	0.5
251.07463	1.2
255.09825	1.0
274.53247	0.3
279.03864	0.6
298.04718	0.7
311.09924	0.7
329.10785	0.7
340.12460	1.3
348.61038	0.4
357.61279	0.8
358.14966	100.0
358.61548	0.6
359.06473	0.4
359.15292	2.2
376.09067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55286	0.9
56.96551	1.3
57.03428	1.5
59.04993	6.6
61.02929	1.1
61.69552	1.0
67.05502	1.2
69.03426	2.6
69.07088	1.3
69.67561	6.5
70.06590	1.7
70.39678	0.8
72.08160	1.4
73.02911	2.0
73.06555	2.0
78.68579	0.9
79.05482	1.3
83.04974	1.0
84.08137	1.9
85.02901	3.3
86.09691	4.1
87.03926	1.3
87.04462	30.2
89.06027	61.5
90.06399	0.9
91.05437	1.6
93.07049	2.6
95.04939	1.0
97.02877	2.5
97.06535	1.4
98.21469	1.8
98.97566	1.8
100.22078	0.9
101.70684	0.9
103.03936	100.0
103.07528	2.8
104.04214	1.0
105.03406	0.8
105.07018	2.0
107.04932	1.1
107.07067	5.5
107.08549	2.1
109.06483	1.1
119.07018	1.7
120.08096	1.5
121.08593	2.6
122.06013	4.2
127.03888	1.1
130.06485	1.0
130.08617	1.3
131.07039	7.3
133.08597	45.0
137.05945	4.4
138.05492	1.2
138.09114	1.1
147.06505	10.3
149.05962	1.7
150.05443	3.0
153.05463	1.3
155.07040	1.5
161.05971	1.8
163.07527	1.9
163.09647	3.9
165.05473	1.1
166.08620	1.9
167.07048	1.8
175.09753	2.7
177.00684	1.1
177.11232	11.9
178.07001	1.2
179.03412	1.6
179.07054	1.2
182.08110	1.4
191.09145	6.3
196.04282	3.5
196.09616	2.5
197.11581	1.4
203.07397	1.1
207.12273	7.7
209.13838	2.0
212.08192	1.3
219.12224	1.1
221.13870	2.2
235.11780	9.8
239.14781	1.4
295.17407	2.4
297.15408	1.3
313.18640	4.5
322.13077	1.3
323.16998	3.9
340.13834	3.2
341.18036	35.9
342.18500	1.3
358.15118	3.2
359.12579	2.2
359.16776	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	358.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.3
57.03425	2.0
61.02906	1.4
62.06063	0.8
64.99426	0.6
66.07566	0.5
68.05024	0.7
69.03427	4.7
70.06586	1.2
70.98150	0.5
71.04973	0.7
71.58827	0.5
71.59214	0.7
73.02908	3.2
81.03417	1.8
81.07044	0.6
82.06602	0.6
83.06094	0.7
85.02890	7.7
85.06532	0.7
86.03214	0.5
87.04445	1.6
91.05463	0.9
93.07047	0.5
94.06565	0.8
97.02896	4.4
98.00645	0.6
98.03250	0.5
98.97575	4.0
99.04434	0.8
107.04949	0.7
107.06104	0.7
109.02804	0.7
110.06029	1.1
111.04439	0.8
112.02200	3.0
112.07578	0.6
115.03978	0.6
116.98626	2.2
117.05697	0.5
123.06796	15.6
124.07623	0.9
126.05527	0.9
127.03921	2.2
128.98604	1.8
130.08640	0.7
132.08063	0.8
133.04988	1.2
134.06010	0.9
134.99629	1.2
136.07602	0.7
137.05971	2.8
137.07091	3.0
137.07979	0.5
138.05489	1.2
140.07140	0.5
141.06604	0.5
143.06970	0.5
145.04950	1.9
146.99690	0.9
147.04410	1.9
148.07570	2.0
150.05524	3.3
150.09122	1.2
151.03253	2.8
151.15500	0.6
152.07092	1.3
153.06580	16.9
155.04639	0.7
155.08128	0.9
160.07594	1.9
161.01207	0.7
162.99146	0.8
163.06160	0.6
165.06578	8.5
166.08614	4.7
167.08212	0.7
169.04315	1.6
177.00729	2.2
177.05028	0.7
178.04832	0.9
178.08607	7.3
181.06200	0.7
183.07654	0.8
189.00723	0.9
191.08185	2.3
192.08859	1.1
196.09676	66.9
197.03793	34.2
197.10097	1.0
198.04135	0.7
201.00735	0.7
206.60515	0.5
215.04877	1.1
217.05478	1.1
218.06273	0.5
219.01837	1.4
223.05333	1.3
225.06911	11.1
233.06755	1.3
237.02829	2.9
241.06357	7.4
241.08549	0.6
268.07425	0.6
269.05875	14.4
280.07303	2.9
340.09598	45.8
341.09979	1.6
358.10727	100.0
358.14963	15.3
359.10635	3.6
359.93289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06894	1.7
54.04248	1.5
55.05302	2.4
55.05512	22.3
57.03437	2.2
57.07069	13.9
59.01332	1.9
59.59019	2.0
60.17238	1.5
67.05499	26.3
69.07066	29.8
70.06584	6.7
70.52351	7.2
71.06906	2.7
71.08627	8.1
79.05482	11.3
81.07053	27.9
83.08617	21.3
85.06531	2.3
85.10195	4.2
88.07631	12.7
89.07952	2.5
93.07036	20.3
95.08610	28.9
97.06516	6.9
97.10166	12.4
102.09139	4.1
106.08640	5.7
107.08555	14.8
109.10166	14.5
111.08077	4.2
111.11726	5.9
114.90380	1.9
121.10146	26.0
123.11716	4.8
125.09643	1.8
135.11690	13.5
137.13269	2.7
149.13249	7.4
151.14793	2.2
153.12796	3.0
163.14842	4.7
165.16386	3.1
173.13214	1.8
173.60797	2.0
211.09706	2.2
221.56523	2.5
247.24254	21.1
265.25250	27.0
278.35910	1.8
283.26431	2.7
339.28888	15.6
339.34525	4.8
357.35544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
56.05034	1.6
56.96314	1.3
56.96568	5.9
57.03443	10.2
58.99544	1.2
60.07142	1.2
61.02928	7.1
62.06086	3.6
62.96560	1.1
67.19407	1.4
69.03434	13.0
69.07063	1.6
70.06591	7.2
70.62978	3.7
71.01352	1.3
71.04984	2.3
72.08164	1.4
73.02919	16.5
76.20437	1.1
81.03420	5.4
81.07034	1.6
84.08130	2.8
84.96044	1.6
85.02902	26.2
86.06074	2.5
87.04477	3.0
90.05550	2.6
91.05442	1.5
93.47864	1.2
95.04961	1.9
97.02900	14.0
98.03180	1.6
98.97578	11.3
99.04445	2.9
104.07111	2.4
109.02872	3.9
110.97569	2.1
111.04446	2.5
112.07589	6.2
112.99133	1.7
113.07992	2.3
115.03922	3.2
116.07079	1.5
116.98615	7.6
119.01938	2.4
122.06006	1.4
123.06809	2.6
127.03955	8.1
128.02330	1.2
128.98633	2.9
129.10245	2.3
129.26199	1.2
131.00182	4.0
131.01901	1.8
132.08109	2.3
134.05963	2.5
134.99664	2.3
136.07593	2.2
137.05959	5.4
137.07082	2.2
142.08650	3.2
143.01901	1.4
145.03465	1.5
145.04965	5.1
146.99669	3.3
147.04378	2.2
148.07552	8.2
149.01201	1.9
150.09200	3.2
152.07059	3.4
153.06580	12.0
158.99646	4.5
160.07588	6.7
161.02988	2.7
165.06647	5.1
166.08597	1.4
173.01328	2.1
173.02985	4.9
175.04611	1.6
177.00774	3.5
177.04164	1.5
178.04842	2.3
178.08644	20.0
189.00665	3.4
191.02299	1.4
194.76587	1.3
196.03722	81.7
196.07556	2.6
196.09663	36.4
197.03857	19.6
201.00676	2.3
202.09242	2.0
213.08791	3.3
214.03902	1.7
219.01753	4.8
221.05080	1.7
223.05429	1.5
225.06920	6.9
230.08806	1.7
232.05095	1.4
237.02795	7.1
241.06425	5.7
245.05147	3.4
255.09740	4.5
258.75369	1.5
260.09802	3.1
261.03064	2.3
268.07068	1.4
269.05826	9.6
270.07919	1.6
277.08060	2.5
287.67133	1.3
305.06876	1.7
305.11032	1.4
311.09702	1.6
318.38486	1.4
333.60358	2.0
334.09976	1.5
340.09583	30.6
341.14612	1.5
357.61270	2.0
358.09525	100.0
358.15164	39.9
359.08658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10447	1.3
55.01877	1.4
55.05507	40.4
55.05913	1.6
56.05824	1.8
57.03432	9.8
57.07074	24.3
67.05499	40.0
69.07063	54.8
69.64787	11.1
70.06599	9.2
71.04962	2.1
71.06924	2.0
71.08635	15.0
73.06559	1.5
75.04459	1.9
79.05491	20.7
81.07048	45.9
83.04971	2.8
83.08139	2.6
83.08613	42.2
85.06521	2.6
85.10163	6.3
88.07624	12.8
89.07954	2.2
91.05447	3.9
93.06461	2.3
93.07035	29.5
95.04928	1.5
95.08598	44.4
95.77866	1.3
97.06531	11.7
97.10162	27.4
99.08093	2.6
102.09167	2.8
103.03918	2.8
105.07005	1.5
106.08665	6.5
107.08587	24.8
109.10147	20.9
111.08056	6.2
111.11712	7.0
121.10133	45.1
123.11675	10.6
125.09605	5.0
125.13260	1.8
135.11681	35.3
137.13264	3.6
139.11163	5.0
149.13249	16.5
151.14792	6.7
153.12759	2.9
157.12193	1.5
159.11809	1.4
163.14841	7.9
165.16359	4.0
177.16338	4.1
181.15816	1.5
191.17924	3.7
247.24194	42.4
265.25238	52.1
283.26138	3.5
292.47275	1.4
339.28894	36.4
339.34564	6.6
357.26138	43.5
357.30304	5.6
357.35501	100.0
358.26642	1.6
382.12839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05508	70.6
57.03429	19.0
57.07069	42.8
67.05502	82.9
68.21826	7.1
69.07063	97.7
69.92300	42.8
70.50922	6.0
71.08610	25.2
79.05481	37.3
81.07056	100.0
83.08629	71.1
85.10173	14.2
93.07043	60.7
95.08601	80.7
96.63680	6.3
97.06510	28.3
97.10172	41.2
107.08594	48.0
109.10149	42.2
110.78974	6.5
111.08080	11.3
111.11703	15.8
121.10154	71.5
123.11688	16.5
135.11685	56.6
149.13228	22.1
150.68178	7.6
151.14783	9.2
196.13579	6.4
219.21260	7.5
247.24141	46.1
265.25238	54.2
327.33105	7.6
339.29053	44.8
357.27826	9.0
383.33127	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
54.65366	1.3
55.01875	1.9
55.05502	12.1
57.03428	1.3
57.07080	7.2
59.05001	2.4
59.57883	1.0
65.03931	1.3
67.05502	31.4
68.05830	1.2
68.29418	1.1
69.03417	12.5
69.07063	30.6
70.57380	3.4
71.04979	4.9
71.08614	1.3
76.51591	1.3
79.05485	15.2
81.07054	100.0
82.07390	1.8
83.04975	2.7
83.08600	10.3
85.06535	34.5
91.05466	10.5
93.07040	37.7
95.04450	1.4
95.04971	7.5
95.08601	61.3
96.08944	1.4
97.06528	4.7
97.10187	4.3
99.08082	3.0
105.07025	28.4
107.08590	41.0
108.08902	1.7
109.06514	10.2
109.10149	51.0
111.08067	7.5
111.11727	2.2
111.84664	1.3
113.06014	1.8
113.09661	1.2
115.05465	1.8
117.06993	3.4
118.08349	1.2
119.08583	26.6
121.06492	3.5
121.10137	37.2
123.08073	5.8
123.10801	3.1
123.11698	46.4
125.06000	1.9
125.09602	7.5
131.08557	6.1
133.06538	1.4
133.10126	19.0
135.08072	3.5
135.11687	26.2
137.05960	8.2
137.09610	29.7
137.13255	11.6
139.11162	10.3
143.08536	1.8
144.09283	1.3
145.10092	10.7
147.08064	5.6
147.11687	21.1
149.05972	1.4
149.09607	5.4
149.13261	14.7
151.07474	1.7
151.11229	3.1
151.14847	1.3
153.09085	2.2
153.12721	2.5
155.10660	2.3
155.57623	1.3
157.10056	2.3
159.11671	10.0
160.73203	1.3
161.06104	2.4
161.09610	15.8
161.13214	7.3
163.11182	3.2
163.14844	5.8
165.09103	23.5
165.12793	5.6
167.07057	1.9
167.10690	5.7
171.11673	1.8
173.09631	2.3
173.13229	6.0
175.11221	8.7
175.14836	7.7
177.16367	10.0
178.07736	1.3
179.10684	4.1
181.12233	2.6
182.45735	1.2
183.10139	3.2
183.11674	2.1
183.27995	1.3
185.13147	1.6
187.14824	5.3
189.12737	2.2
189.16405	4.6
191.18018	1.7
193.12291	7.0
193.15924	3.0
197.13251	2.2
201.11139	1.8
201.16377	5.8
203.06969	1.8
203.14307	2.5
203.17978	2.5
205.08455	1.5
205.15912	1.9
208.08939	1.4
211.13222	2.5
211.14929	2.1
219.17442	15.4
225.16467	1.8
229.15817	2.4
233.15384	1.8
237.22079	1.9
243.21118	5.8
247.17020	2.7
257.22662	5.6
261.22168	2.3
265.08453	2.6
265.17950	1.8
267.21140	5.5
275.23581	2.1
277.25171	6.2
285.22165	12.2
295.26617	2.4
297.11172	6.0
303.23163	35.8
307.09683	2.9
309.24200	2.7
321.24219	47.3
322.24551	3.0
325.10764	4.3
339.12204	1.5
339.25299	27.0
340.25690	1.4
357.13257	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01866	5.4
55.05503	26.1
57.07077	11.5
57.58581	1.4
59.04985	1.6
61.02907	1.4
65.03908	2.6
67.05231	0.7
67.05497	35.5
69.03426	15.0
69.07062	62.9
69.94212	7.0
70.47007	1.3
71.04992	12.1
71.08622	6.0
79.05489	23.3
81.07050	95.5
83.04977	5.7
83.08612	31.8
85.02913	2.6
85.06538	23.3
85.10193	2.6
91.05468	16.1
93.07036	54.2
93.15318	1.6
95.04949	16.9
95.08598	91.5
96.08929	1.5
97.06522	19.7
97.10175	10.6
99.04429	1.9
99.08086	4.1
101.06024	1.5
103.03934	5.4
103.05441	1.9
105.07027	24.4
107.04935	6.0
107.08585	64.8
109.06507	27.2
109.10147	54.8
111.08073	15.1
111.11716	5.3
113.06016	4.0
113.09666	2.3
115.05322	1.6
117.07011	4.6
119.04967	2.1
119.08578	32.8
121.06498	12.0
121.10125	26.6
123.08082	8.0
123.11700	24.5
125.06003	10.2
125.09621	6.0
125.13272	2.2
127.07559	6.9
131.04941	2.2
131.08562	10.7
133.10123	26.1
135.08052	36.6
135.11679	23.6
137.05974	15.3
137.09599	40.2
137.13231	18.9
139.07555	2.3
139.11186	3.5
142.07719	1.7
143.07010	13.7
143.08534	1.7
145.10103	11.7
147.08017	7.8
147.11671	13.5
149.06003	3.2
149.09610	8.5
149.13240	21.7
151.11160	5.4
151.14799	3.6
153.09091	4.3
155.07034	6.3
155.73636	1.5
157.10144	3.7
159.08014	10.1
159.11717	6.7
161.05975	1.9
161.09612	14.7
161.13258	5.6
163.07559	11.1
163.08746	1.7
163.11139	2.5
163.14835	9.3
165.09102	16.1
165.12721	2.1
165.16403	3.0
167.07074	2.5
167.10706	6.0
167.14333	5.8
171.11676	2.3
173.08156	1.8
173.09642	4.3
173.13264	5.6
175.11237	3.7
175.14845	10.9
175.76642	1.7
175.96162	1.4
177.09108	9.1
177.12756	3.7
177.16365	15.1
179.10634	12.3
179.17897	1.8
181.08545	1.7
183.10152	4.1
183.11693	2.8
187.07529	1.6
187.11157	2.5
187.14835	5.4
189.12766	1.8
189.16353	4.1
191.10652	4.7
191.14204	2.1
191.17932	4.3
193.12196	6.1
193.15845	11.3
195.10248	8.3
195.17442	5.0
197.11737	8.1
197.13283	1.8
197.18993	3.4
201.12811	2.9
201.16331	3.0
203.07028	4.2
203.17885	3.7
205.06467	1.6
205.15869	2.2
207.13818	2.1
207.17558	2.4
209.11661	2.4
209.18954	4.8
215.07043	2.0
215.14224	1.7
217.19606	2.4
219.07942	1.6
219.21115	6.6
229.15953	2.7
233.15547	1.7
243.21109	10.5
247.17102	2.9
249.08974	1.5
253.08589	4.2
257.22714	5.7
259.24252	2.1
261.22177	10.5
264.07693	1.8
265.08429	1.9
267.21091	5.1
270.08841	1.7
275.23660	5.6
277.08469	3.2
277.25104	2.5
279.10403	1.6
279.23138	12.9
285.22089	14.0
293.07990	1.9
294.08948	1.7
295.09442	1.8
297.11298	2.0
297.24319	2.7
299.12677	2.0
303.23169	65.1
304.23526	3.9
307.09647	2.9
309.11047	2.2
311.97171	1.6
321.24216	100.0
322.24466	3.8
327.12241	4.6
339.25275	31.1
357.09354	2.7
357.13293	23.3
358.13794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36284	2.0
52.10968	2.1
55.01875	4.0
55.05509	23.9
57.07068	10.5
59.05000	5.2
62.04883	1.8
67.05500	27.4
69.03421	13.8
69.07065	82.5
70.04982	12.3
71.04987	6.0
71.08643	2.9
79.05492	16.4
81.03436	2.2
81.07051	80.1
83.04974	2.8
83.08619	24.2
84.14104	2.1
85.02899	3.0
85.06535	10.5
91.05466	16.1
93.07044	44.7
95.04956	13.8
95.08602	56.6
97.02877	2.0
97.06522	16.1
97.10163	4.4
99.04449	3.0
99.08065	4.9
105.07029	24.2
107.04947	19.7
107.08593	56.7
109.06522	10.1
109.10155	83.0
110.10483	2.7
111.08093	9.1
111.11729	15.3
115.05403	4.8
117.07030	4.6
119.04978	4.7
119.08565	21.6
121.06494	8.4
121.10139	26.9
123.04434	10.8
123.08070	4.6
123.11699	20.3
125.05995	9.3
125.09597	3.9
125.13194	2.3
127.03957	2.5
127.07523	2.5
127.11161	8.6
131.04933	3.5
131.08548	8.3
133.10138	19.7
135.08058	11.5
135.11673	25.7
137.05974	17.9
137.08607	4.0
137.09592	27.2
137.13286	11.3
139.11171	4.7
143.07034	14.9
143.08507	2.7
145.10092	7.3
147.04367	3.7
147.08034	4.9
147.11702	8.2
149.05986	4.0
149.09586	11.4
149.13261	8.6
151.03923	5.5
151.11192	28.6
153.09113	6.1
153.12759	33.8
159.08115	4.0
159.11705	7.0
161.05911	4.0
161.09627	13.3
161.13223	3.3
163.04024	2.2
163.07552	3.3
163.11189	3.2
163.14851	5.1
165.09091	21.3
167.03468	3.4
167.07060	6.1
167.10641	13.3
169.12276	4.5
171.10135	2.8
171.13826	6.9
173.09705	4.3
173.13290	5.9
175.07547	5.0
175.11154	5.4
175.14828	5.0
177.05486	4.3
177.09097	12.2
177.16359	5.4
179.08501	2.6
179.10692	19.9
182.07156	2.8
187.14813	4.9
189.16435	2.3
191.08649	2.7
193.12312	4.2
193.15886	5.2
194.07373	3.0
195.07985	3.5
195.10103	5.1
197.05934	2.6
197.11678	3.6
201.16313	3.2
203.07054	6.6
205.06520	2.4
207.08018	3.2
207.17418	2.2
210.06725	8.0
211.07541	3.9
219.08122	4.0
219.17499	3.3
219.21095	4.0
221.06122	2.4
221.08052	8.5
222.06856	4.0
223.07541	8.5
224.08368	2.9
225.09090	6.5
227.07013	3.5
235.07568	3.4
239.06996	9.2
240.07632	4.3
243.21071	6.8
246.06715	2.8
247.07521	3.4
251.07086	2.4
252.07997	3.4
253.08548	19.2
254.09288	3.3
257.22626	3.9
259.24179	2.4
261.22183	7.0
265.12341	4.1
267.10156	3.8
267.20984	2.9
268.07416	2.9
269.11783	2.6
270.08737	10.4
275.23685	5.5
279.10062	4.3
279.23251	7.3
283.09756	6.1
285.22168	6.0
293.11743	5.4
295.09598	4.0
296.10037	3.1
297.11264	6.6
297.24133	2.7
298.08099	3.7
303.23138	34.8
304.23550	3.2
307.09613	5.6
310.11926	3.2
311.12579	4.9
321.24222	57.9
322.24496	2.5
325.10736	5.3
327.12082	3.2
329.13806	9.1
339.12222	9.6
339.25223	21.4
357.13327	100.0
357.26187	3.0
358.13467	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	357.2634
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.03925	5.9
55.01857	5.5
55.05511	24.2
57.03412	2.2
57.07072	12.3
59.04994	5.1
67.05499	34.6
69.03421	17.4
69.07066	95.7
69.43399	2.1
69.43670	21.7
71.04987	7.7
71.08613	3.8
79.05486	18.1
81.07054	83.6
83.04965	5.5
83.08626	22.9
85.01051	2.0
85.06523	10.7
91.05476	12.6
93.07039	50.0
95.04974	14.1
95.08605	62.3
97.06536	21.3
97.10184	9.0
99.08086	5.4
103.03890	3.2
105.07047	20.4
107.04964	4.9
107.08591	62.0
109.06482	17.0
109.10152	100.0
111.08042	11.3
111.11710	14.4
113.06017	2.5
117.07021	3.1
119.08598	17.3
121.06520	6.7
121.10142	25.0
123.08043	5.8
123.11708	27.8
125.05978	12.6
125.09618	5.9
125.13265	2.8
127.11168	9.6
131.08559	7.7
133.10106	20.5
135.08049	19.4
135.11682	26.6
137.05949	9.4
137.09619	29.6
137.13234	8.7
139.07524	4.5
143.07036	19.8
143.08540	3.9
145.10117	7.7
147.07997	3.6
147.11649	11.4
149.09573	10.3
149.13225	10.1
151.03983	2.6
151.11183	31.7
153.09129	7.5
153.12737	35.3
157.03992	2.4
159.08064	4.8
159.11710	7.6
161.09612	8.4
161.13278	5.6
163.07558	2.2
163.11137	3.1
163.14859	7.8
165.09094	17.7
167.10716	15.6
167.14384	4.6
169.12247	5.7
171.10153	3.2
171.13806	4.7
173.13268	6.5
175.11235	3.2
175.14803	6.1
177.05391	2.9
177.09129	7.3
177.16319	3.9
179.08957	3.0
179.10640	28.6
181.12193	2.5
185.13148	2.5
187.11224	2.4
187.14793	4.1
191.10553	5.5
193.12219	2.7
193.15877	6.8
195.10219	6.0
195.13864	3.2
197.11694	4.5
201.16275	2.4
203.07010	4.0
203.17996	2.8
219.21094	5.0
219.95810	2.2
221.06055	2.3
225.09045	2.6
243.21092	6.9
247.07443	2.5
251.10713	2.0
253.08620	3.4
257.22675	2.8
261.22159	8.2
267.21057	4.6
275.23706	9.1
277.21518	4.1
277.25043	2.6
279.23178	12.4
285.22028	8.3
297.24176	2.7
303.23193	37.2
321.24228	80.9
322.24323	3.3
327.12399	4.0
339.25290	22.0
357.13312	18.7
358.13281	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	357.2635
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.01873	3.3
55.05508	13.4
57.07060	8.0
59.04988	4.1
61.02896	1.9
67.05176	2.4
67.05505	29.7
69.03416	9.1
69.07065	36.0
69.58496	16.4
71.04982	6.5
71.89428	2.0
78.69374	1.9
78.72532	2.2
79.05475	15.7
81.07055	100.0
82.07385	2.3
83.04975	3.4
83.08613	7.8
85.06066	3.5
85.06541	35.7
91.05480	12.6
91.31596	2.1
91.82433	2.0
93.06544	1.4
93.07043	34.2
95.04961	15.2
95.08605	74.3
97.06506	3.2
97.10162	3.7
99.08080	4.8
99.27802	2.1
105.06501	2.0
105.07036	24.9
107.08594	38.5
109.06522	8.5
109.09451	3.8
109.10153	60.6
110.10475	2.5
111.08049	4.3
111.11736	2.3
113.09614	4.7
115.05550	2.5
115.85002	2.0
119.08579	25.0
121.06457	3.8
121.10140	36.3
123.08044	4.6
123.11707	44.4
125.05896	2.4
125.09621	12.9
129.70879	1.9
131.08531	6.5
133.10124	24.5
135.08031	3.9
135.11678	25.1
137.05936	7.8
137.08655	2.6
137.09610	33.0
137.13234	9.4
139.11174	17.9
143.08496	3.0
145.10147	10.9
145.37497	2.1
147.04337	2.4
147.08034	6.7
147.11690	21.4
149.09616	5.1
149.13264	19.0
151.11154	4.0
153.09123	4.0
153.12636	2.8
155.10687	3.2
157.10110	4.6
159.11658	8.2
161.09619	21.9
161.13225	8.7
163.11140	2.9
163.14751	4.6
165.09114	27.1
165.12717	5.9
167.10666	7.1
171.11659	3.2
173.13278	4.7
175.11174	10.7
175.14790	6.5
177.16373	8.3
179.10661	6.1
183.10172	2.3
183.53285	2.0
187.14850	5.4
189.16304	5.6
193.12312	11.1
193.15968	2.1
196.20645	2.2
201.16371	4.7
203.17993	5.5
207.06442	2.4
207.13820	2.3
211.14882	3.1
219.17372	11.4
233.15318	3.2
235.16827	2.7
243.21159	4.0
247.07474	2.4
247.16743	4.0
257.22632	5.7
261.22433	3.0
267.21005	6.3
273.22208	3.1
275.23706	4.5
277.25287	9.5
285.22122	14.0
295.26404	6.1
303.23206	41.2
304.23508	2.8
321.24216	48.9
322.24670	2.9
325.10501	2.4
339.25296	63.0
340.25748	2.5
357.13306	12.8
357.26254	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48783	2.7
55.01858	4.2
55.05508	14.2
57.03413	3.9
67.05213	3.2
67.05508	31.7
69.03423	4.2
69.07055	12.7
71.01331	3.6
71.63190	6.3
79.05504	16.5
80.36148	2.8
81.03405	8.2
81.07051	31.9
83.04996	3.2
83.08634	4.7
83.39573	2.9
91.05470	28.5
93.07031	20.5
95.04961	7.2
95.08069	3.4
95.08582	20.4
97.02872	3.0
97.06539	5.9
97.10175	3.5
103.05479	4.1
105.07030	20.7
107.08590	18.1
109.06522	5.3
109.10161	16.7
109.38120	2.7
115.05415	6.0
116.06223	4.8
117.07008	18.8
119.08579	17.7
121.10121	10.1
121.10945	2.9
123.04426	7.5
123.11710	4.6
128.06239	4.6
129.06990	8.7
131.04935	12.3
131.08572	17.4
132.05687	3.2
133.06425	3.2
133.10130	14.9
135.07986	3.7
135.11681	6.4
141.06978	9.0
143.08522	8.5
144.05679	10.4
145.06476	34.1
145.10095	12.5
147.04405	54.0
147.08041	9.9
147.11673	10.0
148.04851	2.9
149.09605	6.1
149.13229	3.5
151.11180	5.1
151.64787	3.3
153.06944	2.8
155.08542	6.0
157.06474	8.4
157.10123	4.6
158.07227	5.4
159.08049	18.1
159.11726	5.9
160.05186	26.3
161.05951	9.1
163.07553	12.8
165.06880	2.9
167.08566	3.7
169.06494	3.5
169.10077	4.1
170.07158	3.7
171.04456	3.4
171.08017	9.6
171.11697	4.4
173.06020	20.6
173.09576	9.3
173.13307	5.2
175.07503	9.6
181.06374	3.2
181.10278	3.0
183.08133	6.4
185.05983	11.6
185.09605	10.6
186.06644	3.9
187.05856	4.8
187.07535	94.8
187.11168	3.7
188.08003	5.9
189.12804	3.4
195.08061	8.4
197.05951	5.1
199.07509	8.1
199.11122	3.5
201.09081	18.8
211.11037	4.3
213.09064	26.0
214.09525	3.2
215.10596	4.8
227.10689	17.6
239.10605	3.5
241.12273	9.2
277.13837	3.7
283.16724	3.2
297.18555	9.5
307.16879	21.4
325.17969	100.0
326.18271	5.2
329.24649	6.5
339.23221	8.9
357.20392	16.9
357.24191	41.9
357.28040	5.1
358.16266	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	357.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.07616	2.3
55.01865	5.4
55.05506	26.4
56.96557	6.2
57.03423	5.7
57.07066	12.7
59.04974	4.9
61.02923	3.5
65.59846	2.2
67.05173	3.1
67.05497	39.2
69.03423	19.2
69.07063	96.3
71.04974	10.7
71.08640	3.3
71.59819	2.6
71.60184	3.4
79.05489	21.1
81.03397	8.0
81.07052	98.3
83.04960	9.4
83.08603	29.2
85.02905	5.2
85.06535	12.8
89.50558	2.2
91.05462	21.2
93.07040	59.9
93.08218	2.2
95.04963	12.4
95.08597	70.2
96.08938	2.3
97.02873	3.5
97.06509	21.2
97.10155	6.7
99.08067	7.5
102.66389	2.2
103.03920	4.7
105.07020	29.5
107.04945	7.0
107.08584	72.3
109.02879	5.9
109.06487	12.7
109.10148	100.0
110.10471	4.4
111.08046	7.1
111.11694	17.1
113.06016	2.5
115.05437	3.5
117.06966	5.3
119.08570	29.5
121.06510	3.5
121.10119	29.5
123.04387	4.2
123.08060	9.2
123.11697	29.0
125.05968	11.2
125.09645	5.7
125.13246	4.5
127.03906	2.7
127.11175	10.7
131.08545	11.1
133.06418	2.5
133.10112	28.6
135.08041	18.0
135.11682	35.7
137.05969	20.0
137.09618	33.4
137.13237	8.9
139.11160	2.5
143.07016	18.0
143.08421	2.4
145.10115	10.7
147.04382	3.4
147.08041	5.1
147.11665	17.5
149.05977	3.9
149.09616	17.6
149.13266	12.4
151.03918	3.0
151.11182	37.3
151.14825	2.5
153.09059	5.4
153.12721	37.4
157.10085	5.3
159.08089	4.0
159.11671	8.1
161.05972	5.1
161.09564	10.5
161.13246	8.2
163.07497	5.0
163.11136	5.1
163.14828	7.8
165.09122	17.9
165.12756	7.1
167.06975	6.8
167.10648	13.2
167.14279	3.4
169.12209	6.7
171.11661	3.0
171.13828	4.9
173.09666	4.3
173.13240	7.2
175.11165	5.6
175.14822	8.3
177.09097	12.0
177.16393	4.8
179.10672	22.8
181.12257	3.3
183.11588	2.6
185.13284	2.9
187.14635	4.5
189.16389	3.3
191.10678	5.7
193.12225	8.7
193.15831	6.6
195.10143	9.0
195.13783	4.3
197.11826	2.8
197.18991	3.8
201.16330	3.4
203.06978	7.2
204.04712	3.0
209.18869	2.4
219.08105	5.1
219.40303	2.4
223.07603	3.2
229.14207	4.7
235.07693	2.8
236.08185	2.5
243.21088	7.8
247.07579	3.5
251.11037	2.9
253.08635	4.2
255.06709	4.0
257.22571	3.4
261.22064	7.8
263.06842	2.5
264.07837	3.7
267.09061	5.9
275.23615	7.5
277.08713	3.1
277.21585	3.3
279.10077	3.0
279.23077	8.2
285.09982	16.2
285.22083	9.7
297.11157	6.8
303.23169	42.1
304.23312	3.5
307.09659	6.4
321.11316	3.7
321.24200	69.7
322.24738	5.0
325.10425	5.2
327.12302	4.9
329.13611	3.3
339.12256	6.1
339.25278	18.9
357.13306	36.8
357.27710	5.8
358.13647	3.3
365.66846	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01865	3.8
55.05507	16.4
56.96561	14.2
57.03434	4.1
57.07052	1.2
61.02921	5.0
67.05501	15.8
69.03429	4.9
69.07056	6.3
71.05017	1.2
71.63353	1.3
73.02909	6.9
79.05491	13.8
81.03410	2.5
81.07049	15.5
82.20981	1.0
83.04944	1.4
83.08613	3.5
84.01562	1.4
85.02894	4.5
87.04492	1.5
91.03956	4.3
91.05465	6.9
92.70445	1.2
93.07037	10.8
95.04974	2.4
95.08606	10.7
97.02893	10.8
97.06490	1.4
97.10138	1.6
98.97585	11.7
99.04454	1.1
99.08091	1.1
100.99063	1.1
105.07023	4.7
107.08583	6.9
109.06546	1.4
109.10146	3.0
110.01283	1.9
110.97563	1.2
111.02061	2.0
112.99116	2.4
116.98624	10.5
118.02824	2.5
119.01799	2.5
119.08566	2.4
121.10143	3.9
123.04430	3.2
123.08046	1.8
127.03869	1.9
128.98619	3.5
129.06972	1.6
130.52603	1.6
131.00151	9.8
131.08536	3.0
133.10130	2.0
134.99663	5.1
135.08070	1.3
135.11710	3.0
137.02330	3.3
138.02568	1.2
139.24678	1.3
140.00220	1.2
141.07063	2.6
143.00221	1.4
145.10121	1.4
146.99651	3.2
147.03107	6.9
149.01218	33.0
149.13226	1.2
153.06943	2.9
154.07782	3.2
155.08588	5.5
156.03618	22.8
157.10126	1.6
158.01251	1.6
158.53853	1.2
158.99684	5.1
161.01236	3.9
161.05980	1.6
163.11208	1.2
165.05556	1.2
165.06978	3.1
166.07887	1.8
167.02264	12.5
167.08528	7.6
167.54430	9.1
169.06532	1.4
169.10020	5.4
170.99638	2.7
172.02800	3.2
173.01305	1.3
173.05965	7.9
177.00668	8.1
179.08519	2.4
181.06422	5.6
182.03426	2.0
182.07344	3.4
183.08060	5.1
185.05952	1.7
185.09624	1.5
187.07574	2.5
189.00665	5.7
190.03867	1.5
191.02274	4.4
195.08043	29.3
195.09775	1.9
196.08418	1.4
197.09627	18.6
198.06754	2.8
199.07581	4.8
200.02336	1.7
200.08276	2.4
201.00755	2.5
201.09117	2.8
203.02321	3.6
209.09654	3.0
213.09102	23.1
215.10625	4.7
219.01682	2.2
219.05280	1.4
221.09703	1.7
221.11844	1.4
223.11319	2.4
227.02321	1.1
227.10706	1.1
228.05714	7.3
237.06300	1.9
237.12611	1.5
239.10851	1.5
247.11162	1.3
248.57112	4.3
250.91856	1.1
261.02936	1.2
261.22476	1.3
277.13782	40.7
279.17419	6.4
289.15891	4.8
293.05258	5.6
297.18439	2.3
297.65097	3.1
307.13754	1.9
307.16953	18.5
311.06561	1.5
317.17770	4.5
321.05005	3.1
324.13419	1.5
325.17938	22.1
325.21494	2.0
335.19092	2.4
339.12335	1.1
339.19510	6.5
339.23065	1.4
349.15915	1.7
357.20578	14.9
357.27734	2.5
358.16422	100.0
378.67694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
50.36786	0.7
50.74840	0.7
55.01863	3.0
55.05497	1.1
55.51472	0.7
56.96560	1.4
57.03430	0.9
58.47540	0.6
59.04981	1.0
67.05499	3.9
68.99790	1.5
69.03407	1.2
69.07059	3.1
69.75147	3.5
71.04990	0.9
79.05465	2.6
81.03403	1.8
81.07053	6.5
83.08611	1.2
85.02872	1.0
85.06512	1.0
91.05477	1.7
92.99748	0.8
93.07025	3.0
95.04976	1.0
95.08591	2.3
97.02874	2.1
97.06522	1.3
98.97577	0.7
99.04455	0.8
105.07014	2.1
107.04939	1.2
107.08575	2.5
109.02918	1.5
109.10151	1.7
117.11103	0.8
119.08570	2.0
121.10106	1.9
123.04420	7.0
129.06943	0.7
131.08540	1.1
133.10110	1.3
135.11734	0.9
137.02298	1.7
137.05984	3.1
141.01834	4.3
145.80171	0.8
147.11684	2.1
149.13239	3.0
155.03487	0.8
157.10301	0.8
159.11693	0.8
163.03886	1.2
163.14810	0.8
165.01831	41.1
165.12711	1.0
166.02126	0.8
177.09059	1.0
183.02881	56.7
184.03220	1.6
185.05928	3.6
187.03899	4.7
191.03404	2.1
199.07547	2.0
203.07076	1.4
213.05478	3.5
221.08075	37.2
221.11649	1.9
222.08435	1.4
227.07059	4.2
231.15871	2.1
236.73987	0.8
255.06471	12.3
267.08978	1.0
283.06006	100.0
284.06360	4.8
285.06735	0.8
285.10196	1.2
288.10126	1.1
301.07071	20.3
302.07349	1.0
339.11673	2.4
357.13120	4.2
357.23041	1.7
368.93375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03939	2.8
53.88533	1.7
55.01868	14.1
55.05508	5.2
55.93509	3.0
56.94304	4.3
56.96551	3.8
57.03427	2.8
65.03938	4.6
67.05501	15.2
68.02578	1.6
69.03428	5.4
69.07070	10.9
69.52061	3.5
69.52469	14.2
70.95851	6.0
71.04977	2.9
72.93767	11.6
79.05486	11.4
81.03416	8.9
81.07063	18.5
83.04969	4.2
83.08624	4.6
85.02897	3.2
85.06544	5.0
86.56959	1.6
88.96893	2.5
90.94814	12.5
91.05431	13.1
93.07036	14.1
94.04196	3.6
94.06563	4.2
95.04963	7.4
95.08607	16.9
97.02882	3.2
97.06543	2.9
97.10181	1.9
103.05481	4.0
105.03381	2.0
105.07024	11.7
107.04942	9.3
107.08572	12.3
108.95846	3.9
109.02869	5.5
109.06523	5.0
109.10152	10.4
110.06052	3.9
111.04456	3.7
115.05436	6.3
116.96336	2.3
117.03369	2.4
117.06979	5.0
119.04938	3.4
119.08582	7.7
121.06501	4.3
121.10120	9.3
122.03632	8.5
122.06042	17.3
123.04397	5.0
123.11670	4.8
124.07597	2.1
125.05981	4.5
125.09631	2.0
126.98426	2.0
127.03899	2.6
128.96352	3.9
130.97910	1.9
131.04916	5.6
131.08577	3.4
133.06415	3.8
133.10126	4.4
134.97372	3.5
135.04323	2.3
135.08018	3.4
135.11676	4.9
137.05966	69.4
137.09624	4.7
137.13290	1.9
138.06313	2.9
138.98396	3.5
140.07072	3.0
142.97862	2.1
143.04903	4.1
143.08533	2.9
144.95862	2.3
145.02853	2.8
145.06496	3.5
145.10040	2.2
146.03539	2.1
146.97372	4.6
147.04416	7.1
147.08087	1.9
147.11699	3.5
148.98970	4.1
149.05977	5.5
151.02042	5.8
151.03870	16.5
153.05484	4.5
154.97859	5.1
155.04874	3.5
155.08595	2.0
156.99483	2.6
157.10168	2.5
159.08026	2.6
160.05161	2.6
161.06000	18.8
162.06746	3.5
162.96921	2.3
163.03938	3.0
163.07510	5.1
164.98630	2.4
164.99995	5.2
165.03630	5.1
165.05479	15.8
165.06844	4.0
165.09081	3.6
166.97873	4.9
167.07053	11.6
167.08345	2.0
167.10454	2.1
168.99548	2.5
171.04424	4.6
172.05164	3.1
172.99011	5.8
173.06004	3.6
173.09593	2.4
173.13245	2.4
175.07536	6.8
175.14760	2.9
177.05510	12.6
177.09125	2.4
178.97949	2.0
179.07101	3.1
179.08501	3.2
180.99467	2.8
181.05002	3.6
181.06471	3.8
183.04428	2.5
184.98871	4.9
185.05992	8.0
186.01274	3.8
186.04958	3.3
187.07526	6.0
188.04649	3.0
189.03653	3.5
189.07051	6.2
190.07756	6.3
191.07016	4.8
191.08586	8.9
192.22632	1.8
193.06557	3.9
195.08081	4.6
195.10056	2.0
199.00426	2.7
199.02080	8.3
200.02432	2.5
201.02110	2.4
203.07007	23.9
203.08669	2.1
205.06615	4.4
205.08612	8.6
206.07291	3.4
207.05374	3.2
207.08035	8.8
207.55618	2.4
208.08740	2.3
209.09682	1.9
210.06906	2.7
211.07504	3.2
213.01933	2.1
215.06970	9.4
217.06419	3.2
218.07158	10.2
219.08044	19.3
220.08745	2.7
221.06030	6.7
222.06709	3.4
223.07573	6.6
225.09068	3.7
227.03659	6.1
229.06615	3.2
234.06735	7.1
235.07524	12.0
236.08319	5.7
236.48296	2.3
237.05620	3.7
237.09026	5.8
239.07045	5.2
240.07870	2.3
246.06653	8.8
247.07500	18.2
248.08270	3.0
249.09113	11.0
250.06166	1.9
251.07028	5.7
251.10629	4.6
252.07755	3.7
253.05327	4.0
253.08530	7.8
255.06540	5.2
255.10179	4.8
257.05869	3.2
257.08340	3.7
258.06531	2.7
261.09097	14.0
263.06808	8.7
264.07788	8.2
265.05219	11.7
265.08636	11.8
266.09338	3.4
267.10074	5.7
268.07245	3.3
269.08145	2.8
270.08838	3.8
274.06195	6.3
275.06995	6.9
276.07806	4.1
277.08609	11.6
278.09052	4.7
279.06863	3.6
279.10175	13.1
280.07306	2.8
281.04929	2.9
281.07993	5.4
281.11237	2.7
282.08890	4.5
283.06290	100.0
283.09546	8.4
284.06555	7.8
284.09842	2.5
289.08456	20.0
290.09155	3.1
291.06616	8.4
292.07294	4.6
293.08044	3.4
294.08859	3.8
295.09711	10.6
296.10275	2.3
297.11075	14.1
298.11813	3.9
299.12827	5.2
301.07327	33.1
303.23019	5.8
306.08185	7.2
307.09583	45.7
308.10699	6.1
309.07706	8.6
309.11197	15.7
311.12979	3.7
312.09985	3.4
313.10654	5.8
315.12378	3.2
320.10910	12.2
320.61230	8.0
321.11215	35.8
321.24399	4.6
324.08957	17.9
325.10785	16.1
327.08868	4.1
327.12280	33.6
329.11575	11.2
329.61673	6.8
339.08655	8.9
339.12256	34.8
339.25531	3.1
340.12662	3.2
340.62354	5.1
357.09772	24.1
357.13342	83.6
357.27728	3.5
358.13776	5.3
380.11795	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.73814	0.4
55.01852	1.6
56.05024	1.1
56.96560	3.3
57.03429	5.6
57.19422	0.5
61.02924	4.8
67.05485	1.0
69.03427	10.2
69.64213	0.5
70.06586	1.7
71.01331	0.9
71.04967	1.8
71.06107	0.6
71.59187	0.9
72.08140	0.8
73.02917	7.8
76.07627	0.6
79.05458	0.5
81.03421	3.5
83.04983	0.9
84.04493	0.8
84.08122	2.1
84.96024	1.2
85.02899	18.3
86.03206	0.6
86.06069	1.2
86.09692	0.9
87.04449	1.7
91.03938	1.7
91.05458	2.0
94.06557	0.9
97.02885	10.3
98.97569	7.2
99.04436	1.5
100.99148	1.1
101.06012	0.9
105.07034	1.5
106.02780	0.5
106.06516	0.8
107.04959	0.6
108.08109	10.0
109.02881	3.2
110.06013	0.9
110.07135	0.7
110.97533	1.5
111.04405	0.8
112.07544	0.6
112.99134	3.1
113.02341	0.7
113.03510	1.0
115.03909	2.0
115.05438	1.0
115.34100	0.5
116.07087	1.0
116.98604	4.5
117.05722	2.6
118.06490	0.5
119.00132	0.6
119.01849	1.4
119.04943	1.2
120.08107	1.1
122.06036	2.2
123.04412	1.1
123.06802	2.4
124.07581	2.5
127.03918	5.0
128.02278	0.8
128.98587	2.6
130.06497	1.3
131.00156	5.7
131.01808	0.6
132.08072	5.5
133.05139	1.3
134.05989	7.6
134.99640	1.6
135.04440	0.6
136.07571	12.7
137.05971	2.2
137.08327	2.4
138.05482	6.5
140.06982	0.6
143.00188	1.0
145.01732	1.0
145.04944	2.6
146.99657	1.6
147.04372	1.1
147.06779	4.8
148.03871	0.7
148.07564	21.8
149.01218	3.9
149.08385	0.7
150.05481	5.2
150.09111	8.4
152.07053	27.1
153.06625	1.0
153.07841	12.4
154.01787	0.6
154.08594	1.5
158.99631	1.5
160.03830	0.8
160.06236	0.9
160.07573	16.3
161.01154	1.1
161.02979	0.7
162.05489	3.0
162.07797	0.8
162.09090	0.9
163.02748	1.4
163.04497	0.6
163.06281	1.2
163.08636	0.6
164.07069	13.1
165.07838	1.9
166.08618	8.8
167.07040	1.2
168.06633	0.7
169.04448	1.5
169.09769	0.6
170.99612	1.4
171.01358	2.9
172.02806	1.2
173.01256	2.4
175.02853	0.6
175.04623	0.6
175.06149	0.6
175.08641	0.8
176.07076	8.1
177.00699	2.8
177.07619	0.7
177.10219	6.8
178.01306	0.5
178.04912	7.5
178.08617	37.6
179.07030	1.0
179.09169	0.8
180.06538	22.0
181.06917	0.6
181.09767	1.2
182.08144	1.1
186.07628	0.8
186.09200	0.6
186.99144	0.7
187.08751	0.7
188.07164	0.8
189.00726	0.8
189.02417	0.9
189.55782	0.6
190.05096	0.8
190.08611	0.9
191.02301	3.0
192.06543	13.6
193.03793	1.2
193.05478	0.6
193.07324	2.5
193.09424	0.5
194.08121	41.7
195.01654	0.7
195.08365	1.9
195.11331	2.6
196.09673	39.8
197.13907	0.8
201.00607	1.1
204.06572	6.1
205.03798	0.8
205.09726	0.6
206.08211	0.9
208.06075	6.6
209.06558	0.8
210.07652	0.9
212.07231	0.6
212.09186	1.1
213.02347	1.3
213.08603	1.0
214.03906	2.7
214.08600	0.8
218.08116	1.5
219.01778	3.7
219.05095	1.3
219.07127	0.7
220.06061	7.2
221.04951	1.2
221.06818	5.8
221.09200	3.4
222.07597	40.8
223.07863	1.4
230.08086	1.1
231.01733	0.7
231.07666	1.0
232.06030	2.4
233.03392	0.6
234.07668	0.9
235.06552	1.2
236.09152	1.1
237.02780	7.4
237.08704	0.6
238.07108	1.0
239.04298	0.7
240.08644	9.3
240.10902	0.5
246.07704	1.5
249.02393	1.4
249.08604	0.7
250.07094	65.2
251.04298	1.4
251.07423	2.0
252.07518	1.0
255.04089	0.7
255.09840	0.8
257.09177	0.9
258.07541	1.3
259.07187	0.6
261.08661	1.2
264.08722	2.2
267.07828	1.8
267.10211	1.1
267.18210	0.7
268.08084	7.4
269.05429	0.8
274.07028	3.6
275.10245	1.3
276.08929	1.9
276.58603	0.9
279.09674	1.4
281.05475	0.6
282.09662	5.7
285.08682	0.9
292.08154	4.9
293.05255	0.9
294.09702	1.4
297.04565	3.4
297.10797	7.1
300.10828	3.5
303.09772	4.6
307.06967	1.3
310.09186	39.7
311.09402	1.5
312.20004	0.9
314.12445	3.4
321.10645	4.1
322.09140	1.3
325.08084	0.9
328.10251	28.4
329.10565	1.1
337.08081	4.3
339.11853	67.6
340.11880	2.9
348.10675	0.8
353.73337	0.5
355.09125	4.0
356.09567	0.8
356.61368	0.7
357.12875	100.0
357.16663	11.2
357.21716	5.8
357.61526	2.3
358.14978	67.2
367.09229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.6
58.52718	0.5
67.05507	0.9
69.03431	0.9
69.07043	1.8
69.37899	0.6
69.38229	6.5
70.06583	1.4
71.04977	1.4
81.03403	0.9
81.07035	0.8
83.04958	0.6
85.02883	1.7
91.05434	1.3
93.06998	1.8
95.04948	0.8
95.08580	1.1
97.06484	0.6
98.21477	0.9
99.04375	0.7
101.12120	0.7
105.07005	1.2
107.04943	1.5
107.08535	1.3
119.01904	1.0
121.06486	0.7
121.10105	1.7
123.04358	0.9
123.11672	0.9
124.07551	0.9
131.04889	0.9
133.10063	0.9
137.05984	2.9
147.04350	0.7
149.05901	1.0
157.18541	0.6
161.02954	0.7
161.05937	2.0
164.07051	2.0
165.54085	0.6
167.07121	1.3
177.05482	1.7
179.06984	0.6
182.08083	0.9
191.06978	0.8
195.06451	1.2
203.07028	3.2
227.05183	1.0
229.02072	0.8
233.05899	0.8
233.08081	0.8
237.09052	0.7
243.04738	1.4
245.06274	2.5
250.06216	1.2
251.07040	1.7
253.08459	0.8
265.08524	1.6
271.04047	1.1
271.11682	3.1
279.06439	1.5
283.09485	1.7
287.03680	2.5
289.05298	7.1
293.08047	1.0
297.11191	1.9
307.09412	1.0
311.09100	2.3
313.12555	18.5
325.10684	1.6
339.08414	2.3
339.12341	1.3
357.11490	100.0
358.11887	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	356.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
53.20806	1.6
55.01877	8.0
56.96572	1.9
57.03423	6.6
61.02925	3.5
67.11195	2.0
68.99810	1.6
69.03428	34.0
69.07056	4.9
70.06591	2.5
71.04986	5.0
73.02918	6.9
73.06554	15.5
81.03419	20.1
81.07048	3.0
81.64462	1.6
85.02904	100.0
87.00829	41.2
91.05837	7.9
93.07049	1.7
95.04974	2.9
95.05938	1.7
97.02889	28.6
99.04465	10.1
101.02371	2.3
105.01865	89.2
106.84114	1.7
108.04533	1.7
109.02882	27.1
109.06530	1.6
110.06059	3.5
113.09625	2.0
115.03919	1.7
122.06060	1.9
123.02890	1.7
123.04410	2.2
127.03916	62.8
129.01833	3.3
133.07497	1.9
136.07567	2.9
137.05981	19.7
137.07927	2.0
140.07062	3.1
145.02824	1.9
145.04961	22.5
147.04402	2.4
159.02859	9.1
161.05954	2.1
163.46657	2.0
164.07028	4.3
165.05429	2.9
165.07443	3.6
167.07057	2.9
168.06546	3.8
177.05466	4.6
180.07849	2.1
181.05051	2.3
189.03938	2.2
191.07043	2.0
193.04973	7.1
194.05386	9.7
194.08076	2.2
194.45427	1.8
195.02864	2.1
207.06549	2.0
213.03902	3.8
231.05025	24.1
249.06064	10.6
275.80499	1.6
286.00906	2.9
320.65039	1.8
356.07016	3.3
356.13303	7.0
357.11255	1.8
357.15546	3.3
374.05219	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
53.04178	0.8
55.01871	2.3
55.05498	3.4
57.03426	4.2
59.05001	7.0
60.05341	0.9
61.02921	15.2
69.03426	7.6
69.76083	4.9
71.01354	4.4
71.04989	4.5
73.02911	1.8
73.06554	0.9
74.24748	0.8
75.04478	7.0
81.03414	37.8
83.04980	2.6
85.02901	46.9
87.04467	2.5
89.02383	12.4
91.05774	1.0
95.04966	1.6
97.02888	12.4
98.20816	0.9
98.97578	2.4
99.04436	10.1
99.34882	0.8
100.49809	0.9
101.02370	1.4
101.06004	6.6
103.03938	14.4
109.02875	31.3
111.04438	3.5
112.07610	1.3
113.02373	3.1
113.06009	4.8
124.07619	0.8
127.03912	32.7
128.98677	0.9
129.05470	4.9
130.08673	2.0
131.07033	1.6
141.05457	20.6
141.76396	0.8
142.08694	1.0
145.04955	26.3
158.99666	1.3
159.06523	42.5
171.06790	0.8
177.07579	100.0
178.07930	3.2
186.04414	1.4
194.08162	1.4
194.10275	1.6
204.05496	1.6
208.21379	0.9
219.01770	1.3
228.05515	0.8
246.06483	1.0
339.12671	1.9
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
53.03939	1.5
55.01852	1.3
55.05507	28.5
57.03434	7.5
57.07070	13.8
64.72149	1.1
65.03922	1.8
66.15976	0.9
67.05499	80.3
68.05831	2.6
69.07061	39.9
70.06584	3.6
70.07401	1.0
71.04990	3.0
71.08630	6.7
71.61651	1.7
73.02919	1.2
74.74342	0.9
75.04451	1.1
79.05047	2.1
79.05481	25.7
81.03428	1.1
81.07049	100.0
81.29090	1.0
82.07368	1.3
83.04964	2.3
83.08607	29.9
85.06534	2.2
85.10174	3.7
88.07602	5.8
91.05447	20.3
93.07037	28.9
95.04962	3.0
95.08598	84.1
96.08900	1.8
97.06530	8.8
97.10157	17.9
99.08089	3.5
105.07026	16.6
106.08650	2.6
107.08585	21.8
109.06484	1.6
109.10147	46.7
111.08089	5.4
111.11725	5.9
113.09653	1.6
119.08595	15.3
121.10133	28.1
121.11010	1.6
123.08071	2.8
123.11696	24.9
123.12569	2.0
125.09609	1.2
125.13260	2.6
127.11193	1.3
129.05460	1.6
133.10120	17.3
135.11673	13.4
137.09615	2.4
137.13222	7.5
139.11229	1.8
141.12732	2.4
147.11687	13.0
149.13255	13.2
151.11147	2.6
151.14790	6.7
155.14316	1.6
161.13248	13.4
161.19641	1.1
163.14807	13.4
165.12738	1.8
165.16432	5.6
167.14412	2.2
173.65494	1.3
175.14844	9.3
177.16379	2.2
179.17940	4.8
181.15845	1.3
189.16414	5.2
193.15897	1.1
197.81044	1.1
203.17905	1.1
207.17760	1.2
223.75897	1.1
245.22626	47.1
246.22974	2.4
247.24219	1.3
263.23688	48.8
264.24081	2.3
265.25290	1.4
281.24792	1.2
292.97455	1.3
322.02576	1.1
337.27325	33.2
338.27768	3.2
338.34027	2.4
355.07245	1.6
355.22342	1.5
355.28366	8.0
355.33521	1.8
356.35178	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18884	2.7
55.05513	31.1
57.03428	7.4
57.07072	25.9
61.85419	2.7
67.05498	77.8
69.07060	44.0
70.06589	6.2
70.79983	6.2
71.08633	7.2
79.05487	25.4
81.07056	100.0
83.08614	34.8
85.06537	4.7
85.10173	8.5
88.07624	8.9
91.05409	16.1
93.07037	30.2
95.08604	95.8
95.09223	4.8
97.06541	10.9
97.10159	23.3
99.08085	4.3
102.09174	4.4
105.07028	15.3
106.08651	3.5
107.08591	22.0
109.10146	48.1
111.08086	6.4
111.11733	8.9
119.08578	22.4
120.74652	2.6
121.10141	31.7
123.11710	21.9
125.09611	4.1
127.11189	3.1
133.10173	18.3
135.11650	17.8
137.09593	5.1
137.13243	12.0
139.11237	4.0
141.12718	3.6
147.11690	12.1
149.13264	14.8
151.14850	8.6
153.60748	3.1
161.13248	16.4
163.14809	15.2
165.16443	6.7
174.15666	3.2
175.14899	13.9
179.17964	3.8
189.16423	7.2
219.21158	3.0
235.10817	3.0
245.22646	65.4
245.25185	3.3
246.23018	4.4
263.23700	63.3
265.25302	3.2
299.25949	5.8
337.27261	38.4
338.27802	3.4
338.34259	2.8
346.44580	3.1
355.28958	14.8
356.35208	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05299	2.6
55.05508	29.2
57.03423	9.6
57.07064	11.9
57.99390	2.8
64.78005	2.5
65.03860	3.4
67.05502	76.5
69.07063	34.5
70.06573	2.8
70.20428	4.9
70.20821	6.2
71.05003	4.0
71.08617	4.5
79.05491	24.0
81.07054	100.0
83.08616	24.4
85.06523	3.8
85.66248	2.7
91.05464	18.0
93.07028	27.3
95.08605	92.4
97.06529	7.3
97.10148	16.1
99.08071	3.7
105.07027	14.5
107.08596	23.0
109.10155	44.5
109.97389	2.9
111.08085	4.3
111.11719	5.5
113.09625	2.8
119.08584	14.3
121.10139	23.0
123.11718	20.0
129.05417	3.5
133.10152	15.2
135.11711	14.2
137.13246	10.7
147.11636	14.0
149.13245	10.4
151.14824	5.6
161.13269	15.1
163.14789	10.3
165.16441	6.6
175.14810	8.9
179.17987	6.8
189.16443	7.4
203.17799	3.1
218.11836	2.8
245.22656	50.8
263.23682	53.9
337.27377	39.2
355.28461	10.6
355.33911	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03938	2.5
55.01878	2.0
55.05256	2.8
55.05509	32.0
56.97416	1.5
57.03182	1.7
57.03429	9.1
57.07073	14.9
65.03938	1.7
67.05502	80.5
69.07066	45.8
69.54507	6.4
69.54939	9.0
71.04977	3.7
71.08631	6.2
79.05493	25.8
81.07052	100.0
83.04979	5.0
83.08624	30.4
85.06534	4.2
85.10191	3.6
91.05455	20.1
93.07037	28.2
95.04966	2.0
95.08606	88.5
96.08957	2.2
97.06518	9.8
97.10166	19.0
99.08071	3.1
103.03877	1.9
105.07034	15.6
105.94229	1.6
107.08597	20.6
109.02873	3.6
109.10153	47.0
111.08051	4.0
111.11721	7.8
117.06985	2.1
119.08592	18.8
121.10142	28.7
123.11710	25.2
124.49613	1.5
125.09600	2.9
127.03916	20.1
127.11154	2.0
129.05528	3.5
133.10133	19.7
135.11678	17.9
137.13268	9.4
141.12732	3.1
143.74361	1.6
146.41107	1.7
147.11662	15.6
149.13252	13.2
151.11191	2.3
151.14809	7.7
153.12767	2.0
155.14265	2.2
161.13239	15.6
163.14798	14.7
165.16376	10.3
173.13638	1.5
175.14790	12.8
177.16428	3.4
179.17960	5.3
189.16365	7.3
193.15884	2.1
203.17937	2.3
241.10709	8.3
245.22632	58.3
246.23061	3.0
263.23685	67.1
264.24069	3.2
265.25171	2.8
279.79001	1.7
337.27365	49.3
338.27585	2.8
355.28491	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	355.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95860	2.1
53.18754	2.3
55.05499	15.9
57.03432	3.6
57.07071	7.3
67.05161	4.2
67.05499	46.3
69.03418	33.4
69.04317	2.3
69.07066	35.2
71.04984	8.0
71.58666	5.2
72.08143	2.4
79.05493	15.8
81.07050	100.0
83.04974	7.0
83.08617	4.7
83.97897	2.3
85.06539	36.2
91.05447	12.0
93.07035	41.4
95.04974	19.3
95.08038	4.4
95.08596	47.2
97.06522	14.3
97.10144	4.9
99.04485	2.8
99.08087	8.3
101.06035	5.2
103.05447	2.8
105.07026	22.9
107.08585	53.0
109.06521	16.5
109.10152	89.5
111.08092	9.0
111.11820	2.5
113.05984	6.3
113.94856	2.3
119.04905	3.0
119.08582	24.0
121.06476	9.2
121.10137	41.3
123.08089	5.3
123.11696	33.2
125.06003	9.6
125.09622	65.6
127.07565	3.0
127.11167	5.0
127.22727	2.5
129.07007	3.0
131.08571	7.8
133.06540	3.8
133.10114	18.9
135.08029	12.0
135.11700	16.8
137.05981	12.3
137.09613	28.8
137.13243	4.1
139.11176	11.0
143.07039	13.1
143.08513	2.7
145.06473	2.7
145.10077	11.5
147.08041	7.1
147.11665	13.3
149.05952	4.1
149.09605	9.7
149.13261	4.1
151.11174	18.8
153.09103	4.8
155.06960	3.6
157.10117	4.6
159.08098	2.9
159.11720	8.1
161.06006	13.5
161.09589	7.8
161.13242	10.3
163.07515	3.6
163.11212	3.1
163.14803	3.2
165.09090	35.0
165.12721	4.2
167.10683	7.3
169.12242	16.2
171.10141	8.8
171.11620	4.9
173.09612	2.8
173.13197	7.3
175.07518	9.0
175.11180	6.3
175.14838	6.2
177.09088	8.1
177.16310	3.6
179.10703	9.0
181.15863	3.1
183.10066	3.0
188.74750	2.4
189.09102	4.4
189.16277	2.9
191.10597	3.0
191.70297	2.5
193.05005	2.4
195.10065	2.9
201.05455	10.9
201.16333	2.8
203.14363	3.1
213.18466	8.9
217.16058	2.8
221.15378	6.7
241.19630	3.7
249.09157	3.5
259.20557	3.8
263.16373	3.1
273.22098	4.9
275.23648	3.1
277.08542	3.8
277.21606	8.4
281.08112	3.5
283.20523	5.6
289.21463	3.2
292.07080	2.3
295.22617	6.1
301.21536	19.7
307.22821	5.1
309.11209	4.9
311.12805	18.3
313.10309	2.4
319.22617	39.2
323.09412	3.3
337.14301	3.6
337.23715	27.2
355.11734	9.5
355.17334	18.7
355.24695	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	355.2474
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
52.95860	2.1
53.18754	2.3
55.05499	15.9
57.03432	3.6
57.07071	7.3
67.05161	4.2
67.05499	46.3
69.03418	33.4
69.04317	2.3
69.07066	35.2
71.04984	8.0
71.58666	5.2
72.08143	2.4
79.05493	15.8
81.07050	100.0
83.04974	7.0
83.08617	4.7
83.97897	2.3
85.06539	36.2
91.05447	12.0
93.07035	41.4
95.04974	19.3
95.08038	4.4
95.08596	47.2
97.06522	14.3
97.10144	4.9
99.04485	2.8
99.08087	8.3
101.06035	5.2
103.05447	2.8
105.07026	22.9
107.08585	53.0
109.06521	16.5
109.10152	89.5
111.08092	9.0
111.11820	2.5
113.05984	6.3
113.94856	2.3
119.04905	3.0
119.08582	24.0
121.06476	9.2
121.10137	41.3
123.08089	5.3
123.11696	33.2
125.06003	9.6
125.09622	65.6
127.07565	3.0
127.11167	5.0
127.22727	2.5
129.07007	3.0
131.08571	7.8
133.06540	3.8
133.10114	18.9
135.08029	12.0
135.11700	16.8
137.05981	12.3
137.09613	28.8
137.13243	4.1
139.11176	11.0
143.07039	13.1
143.08513	2.7
145.06473	2.7
145.10077	11.5
147.08041	7.1
147.11665	13.3
149.05952	4.1
149.09605	9.7
149.13261	4.1
151.11174	18.8
153.09103	4.8
155.06960	3.6
157.10117	4.6
159.08098	2.9
159.11720	8.1
161.06006	13.5
161.09589	7.8
161.13242	10.3
163.07515	3.6
163.11212	3.1
163.14803	3.2
165.09090	35.0
165.12721	4.2
167.10683	7.3
169.12242	16.2
171.10141	8.8
171.11620	4.9
173.09612	2.8
173.13197	7.3
175.07518	9.0
175.11180	6.3
175.14838	6.2
177.09088	8.1
177.16310	3.6
179.10703	9.0
181.15863	3.1
183.10066	3.0
188.74750	2.4
189.09102	4.4
189.16277	2.9
191.10597	3.0
191.70297	2.5
193.05005	2.4
195.10065	2.9
201.05455	10.9
201.16333	2.8
203.14363	3.1
213.18466	8.9
217.16058	2.8
221.15378	6.7
241.19630	3.7
249.09157	3.5
259.20557	3.8
263.16373	3.1
273.22098	4.9
275.23648	3.1
277.08542	3.8
277.21606	8.4
281.08112	3.5
283.20523	5.6
289.21463	3.2
292.07080	2.3
295.22617	6.1
301.21536	19.7
307.22821	5.1
309.11209	4.9
311.12805	18.3
313.10309	2.4
319.22617	39.2
323.09412	3.3
337.14301	3.6
337.23715	27.2
355.11734	9.5
355.17334	18.7
355.24695	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	355.2477
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.00296	0.9
53.03925	1.4
53.79944	0.8
55.01865	3.3
55.05510	14.1
56.96550	1.1
57.03433	3.0
57.07069	6.5
59.04991	3.3
65.03931	2.4
67.05499	47.6
69.03423	42.3
69.03803	2.0
69.07064	29.1
71.00466	2.1
71.04990	9.4
71.08624	0.9
79.05488	16.2
81.03388	1.4
81.07050	80.9
83.04984	5.7
83.08589	6.2
85.02903	2.2
85.06538	38.6
90.87985	0.6
91.05450	17.7
93.07037	36.2
95.04958	18.0
95.08600	39.1
97.06523	14.9
97.10161	3.1
99.04435	2.2
99.08070	5.6
101.06010	5.8
103.05466	3.2
105.03371	2.4
105.07027	25.0
105.07748	1.5
107.04961	5.6
107.08585	46.2
109.06511	14.4
109.10146	100.0
111.04427	2.2
111.08072	6.5
111.11693	2.6
113.05984	1.9
113.09623	1.2
115.05434	3.4
117.07003	4.8
118.04176	0.8
119.04930	2.4
119.08569	21.8
121.06500	9.1
121.10134	33.6
121.11013	1.8
122.03564	0.8
123.04442	1.9
123.08076	4.8
123.10809	1.7
123.11703	31.6
125.05986	10.9
125.09621	90.4
126.09934	1.2
127.07545	2.3
127.11169	2.6
128.06204	2.5
129.06993	4.9
131.04945	3.7
131.08551	10.4
132.05685	1.2
133.06493	2.8
133.10123	17.3
135.04507	0.9
135.08066	10.4
135.11670	12.7
137.05975	18.7
137.09608	28.7
137.13188	5.3
139.07503	2.4
139.11163	11.4
141.12764	1.4
142.07762	1.3
143.07014	12.2
143.08537	2.8
143.10683	1.0
145.06483	3.3
145.10103	8.6
146.03629	1.5
147.04381	3.5
147.08043	6.5
147.11674	12.0
149.05957	3.0
149.09604	11.4
149.13260	5.1
150.06717	0.9
151.03873	1.3
151.07510	5.4
151.11177	17.5
153.05469	1.4
153.09082	10.8
153.12737	2.9
155.07016	2.1
155.10628	2.4
157.06465	2.5
157.10115	5.0
157.12184	1.6
158.03642	1.5
159.08041	3.4
159.11678	7.5
160.05132	1.2
161.05980	23.5
161.09579	6.8
161.13232	12.0
162.06638	1.6
163.07556	7.8
163.11212	3.9
163.14841	2.3
165.05472	1.2
165.09103	29.6
165.12839	4.5
165.16447	1.0
167.07059	3.9
167.10661	6.2
169.10101	0.9
169.12236	17.8
171.10159	10.4
171.11694	3.1
173.05960	1.9
173.09566	2.2
173.13226	6.0
174.06718	2.1
175.03940	2.7
175.07532	21.5
175.11160	5.7
175.14819	6.6
177.05542	1.1
177.09079	8.6
177.12749	2.1
177.16402	6.1
178.07823	1.0
179.07013	1.2
179.10670	8.8
179.14189	1.2
181.08592	2.0
181.12247	1.3
181.15919	1.1
183.10155	2.0
183.11635	1.1
185.13239	3.5
186.03130	2.6
187.07590	1.2
187.11176	0.9
187.13248	1.4
187.14803	2.7
189.07117	0.9
189.09064	6.7
189.12735	0.9
189.16396	2.6
191.07007	1.0
191.10689	1.9
191.14275	2.8
193.08589	2.7
193.12196	4.2
193.15900	1.7
195.08147	0.9
195.10126	3.0
195.17400	1.5
197.11626	1.0
197.13205	0.9
199.14769	4.6
201.05444	23.3
201.16359	3.9
203.06944	1.2
203.14354	3.9
205.06476	3.2
205.12325	0.9
205.15887	1.6
206.07182	1.7
207.08014	1.6
207.10056	1.9
213.12857	1.2
213.16444	2.3
213.18509	5.9
215.14365	1.2
215.17921	1.7
217.15877	1.6
217.19514	1.3
218.07210	1.1
219.08038	2.1
219.17365	2.4
221.05992	1.5
221.15289	6.5
223.07489	0.9
227.14278	1.8
231.17474	1.4
233.06003	1.5
234.06715	4.0
235.07457	4.5
235.16917	1.8
237.09137	1.5
237.14729	1.2
239.16394	2.3
241.19611	2.7
245.06018	1.3
245.09612	1.1
245.15363	2.4
247.07555	1.5
248.08342	2.0
249.05391	1.4
249.09068	4.2
250.06255	1.3
251.07086	2.1
251.10713	3.0
255.21158	2.4
259.16898	1.2
259.20575	2.2
261.09109	0.9
261.22107	1.1
262.06250	3.1
262.09879	1.0
263.06946	3.5
264.07736	2.4
265.08612	3.3
265.19485	1.8
265.27948	0.8
266.09393	1.1
267.10040	1.3
273.22165	3.8
275.23657	1.8
276.07825	1.8
277.08594	4.8
277.11826	1.4
277.21631	2.9
278.09500	0.9
279.06439	2.5
279.10059	3.8
281.08051	1.7
283.20541	5.4
290.05716	1.0
291.10120	1.9
291.23126	1.9
293.07986	2.3
293.24557	1.0
294.08838	1.9
295.09586	2.2
295.22607	2.4
296.10159	1.1
301.21594	20.6
305.08035	4.0
305.11636	1.4
307.09604	1.0
307.22562	1.9
308.10327	1.0
309.11218	4.2
311.12781	14.9
319.22647	25.7
323.09122	2.7
323.12671	1.5
325.10651	1.6
327.12189	1.2
337.10587	4.7
337.14429	2.9
337.23700	18.6
338.10776	1.0
355.07791	1.6
355.11609	7.7
355.15768	6.2
355.24814	5.6
356.15808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.01871	4.5
55.05508	15.0
57.03431	6.6
58.13384	2.2
59.04988	8.1
60.13699	2.2
62.46754	2.5
67.05505	32.2
69.03428	32.1
69.07068	13.7
70.87854	5.3
71.01352	3.7
71.04993	7.1
71.95694	2.4
77.36033	2.3
79.05494	9.2
81.03423	9.3
81.07054	29.2
83.04976	59.8
83.08622	5.7
85.02898	22.0
89.13775	2.4
91.05474	10.7
93.07043	20.0
95.04970	45.2
95.08598	36.7
97.02897	11.6
97.06512	5.0
99.04473	10.6
99.08116	2.6
103.03934	5.1
105.07031	16.2
107.04966	5.4
107.08586	24.4
109.02897	4.3
109.06519	16.2
109.10145	47.7
111.04451	6.5
111.08090	3.7
115.05470	2.2
117.06979	3.5
119.08558	16.8
120.75257	2.1
121.06484	5.3
121.10166	11.2
123.08072	7.0
123.11711	6.7
125.05996	3.6
127.03896	12.9
131.08612	5.4
131.68962	2.4
133.10117	16.0
134.42252	2.2
135.08015	17.8
135.11659	18.8
137.05966	4.2
137.09610	100.0
137.13222	4.7
138.09911	2.6
138.45264	2.6
139.11220	3.1
145.04967	6.7
145.10130	5.2
147.08014	3.5
147.11710	4.0
149.06026	5.5
149.09592	7.7
151.03891	4.9
151.11188	4.4
155.10686	6.8
157.10091	2.9
159.11690	4.4
161.09607	5.2
163.07465	2.6
163.11194	3.0
165.09151	4.7
165.12666	4.8
167.10622	3.2
169.64352	2.5
173.09579	3.4
173.13258	5.9
175.11157	3.5
175.14842	12.8
177.05511	5.0
177.09085	4.4
179.10678	19.7
181.19789	2.7
187.14830	3.8
189.09140	3.8
191.14235	2.9
193.04961	13.7
193.15865	46.2
193.19701	2.6
199.14771	2.7
201.09128	2.9
217.15941	5.2
221.04543	4.1
235.16963	10.4
245.11772	4.1
255.12360	2.4
277.18076	2.9
283.17117	2.6
289.18167	2.2
299.14917	4.6
301.17847	4.8
319.19031	6.6
337.09271	6.4
337.20093	7.6
355.21060	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	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.15264	0.4
55.05504	0.6
56.85482	0.4
62.18858	0.4
67.05492	0.6
70.13576	2.4
79.05469	0.6
81.07072	0.8
85.02921	0.4
87.00801	0.4
87.64400	0.5
91.05796	0.6
93.07009	0.5
95.04915	0.7
98.21389	0.5
100.07631	0.4
111.04361	0.5
119.04955	0.7
119.08576	0.5
121.02862	1.7
123.04406	0.7
137.05951	1.0
161.07040	0.5
182.15390	1.0
191.03305	1.2
201.01871	0.4
201.03764	0.5
201.05458	0.8
210.14873	1.5
219.02846	1.2
228.16029	0.7
257.44049	0.5
280.07303	0.6
281.08127	1.6
283.05930	1.5
284.06561	0.8
294.05322	3.7
295.05789	0.6
297.07590	0.5
308.06848	0.9
309.07620	2.4
309.10596	0.4
311.05893	0.4
319.05740	1.1
323.29004	0.4
337.07114	8.3
338.07327	1.2
355.08191	8.7
355.17242	100.0
356.08362	1.1
356.17468	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05507	1.5
56.96562	1.5
57.03433	0.7
61.02920	0.6
65.03924	0.8
67.05494	2.9
69.03429	2.0
69.96458	2.1
73.02903	1.0
73.04749	1.4
77.71031	0.6
81.03404	1.0
81.07050	1.1
81.92692	0.5
82.06577	4.9
85.02892	3.6
91.05820	8.6
93.07032	0.7
95.04967	0.8
96.04463	0.6
97.02876	1.8
98.06049	0.8
98.21511	0.5
98.97579	1.8
99.05585	0.4
108.08128	0.8
109.02841	0.7
110.06039	18.5
111.06342	0.5
113.06030	0.5
114.07380	0.8
116.98672	1.0
122.06049	1.5
123.91458	0.4
125.05916	0.5
125.80389	0.4
126.05493	7.8
127.03882	0.7
128.07045	1.9
128.07967	0.4
128.98581	1.0
133.02785	0.5
133.09021	0.4
134.99617	0.5
136.07567	58.9
137.06039	1.2
137.07907	1.4
138.05499	2.6
140.07040	2.2
140.08022	0.5
146.99577	1.2
147.04355	0.5
150.05463	0.7
151.03957	0.5
152.07050	2.8
156.06573	0.7
163.03877	2.1
164.07057	100.0
165.05475	0.7
165.07414	3.1
166.04958	0.5
168.06570	0.6
170.08150	1.0
178.02612	2.9
182.08119	91.5
183.08430	1.7
187.07437	0.6
189.00618	0.6
193.04951	20.0
193.06706	1.2
194.05273	0.6
203.11792	0.6
214.08569	0.7
216.10233	0.5
219.01611	1.0
237.02701	3.3
238.03615	0.6
255.11285	0.6
256.09750	1.2
259.10730	1.1
268.97809	2.3
269.97922	0.6
274.10867	0.6
278.08057	0.6
279.07471	0.7
285.00977	1.7
301.11725	1.4
302.10153	2.5
303.02075	1.0
319.12848	5.2
320.11295	1.3
337.14001	3.4
338.12344	0.6
355.06522	3.9
355.10587	1.2
355.14725	1.5
356.07037	0.9
373.07901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Platanetin
Peak:m/z	Relative Intensity
53.71205	0.7
55.01872	9.1
55.05472	1.1
56.96560	0.8
65.84202	0.8
67.05486	1.0
68.99779	2.7
69.07063	5.9
71.30053	1.4
79.01821	1.4
79.05462	1.9
81.03381	2.2
81.07030	2.4
83.08598	1.1
91.05779	2.2
91.43965	0.8
95.08632	1.0
105.07014	1.1
107.04975	5.4
107.08568	1.2
109.10151	1.3
117.06969	1.5
119.08556	1.3
123.00756	2.6
123.04404	4.2
133.10060	0.9
135.04364	2.1
137.02361	1.1
137.05974	1.1
141.01807	1.7
145.06441	2.3
147.04370	3.7
147.11690	1.5
155.03482	1.2
159.04309	0.9
161.02342	12.0
163.03914	1.0
165.01837	17.0
177.09111	3.6
178.09415	4.0
183.02878	3.5
185.05827	1.2
191.10742	1.4
193.12050	1.5
197.05960	1.5
201.05544	4.8
213.05394	1.8
221.11632	1.5
225.05472	2.1
227.03336	10.9
229.04953	12.8
251.06895	1.0
253.04927	3.1
257.04462	1.7
258.08820	2.1
269.08087	2.9
271.06094	1.4
281.04410	2.2
299.05493	100.0
300.05817	2.8
307.09714	1.4
321.11172	1.4
322.11407	2.1
327.15482	2.9
337.10300	1.0
337.14322	17.3
338.14645	4.9
340.12747	1.1
355.11633	90.7
355.14752	5.8
356.11984	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	2,3-Dehydrokievitone
Peak:m/z	Relative Intensity
53.87657	0.2
55.01868	2.5
55.02114	0.3
59.04995	0.2
59.98808	0.2
68.99775	1.3
69.03430	0.4
70.28687	0.9
79.01838	0.4
81.03407	0.7
81.07054	0.2
91.05801	0.2
92.99792	0.2
97.02900	0.5
98.21434	0.2
99.00810	0.7
105.07018	0.2
107.04960	0.4
109.02861	0.4
123.00780	0.5
135.04417	0.7
137.02335	2.1
141.01813	9.3
163.03952	0.2
165.01825	35.5
166.02129	0.4
183.02876	34.8
183.39117	0.2
184.03223	0.3
185.03452	0.2
197.05965	0.7
199.03862	0.7
213.05481	0.2
225.05470	0.4
227.03351	0.6
229.04944	0.6
243.06783	0.2
248.22653	0.2
253.04984	1.8
281.04434	18.9
282.04684	0.4
299.05475	100.0
300.05783	2.4
339.28671	0.2
355.11713	14.5
356.12012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
55.01862	0.6
55.05507	0.9
56.96564	0.8
58.06573	0.5
61.49963	0.4
65.03917	0.7
67.05498	2.9
68.19254	0.5
69.03438	0.9
69.07056	1.6
69.84027	3.4
77.79006	0.4
79.05478	0.9
81.07053	2.3
85.06557	0.5
91.05460	2.2
91.05917	0.6
93.07037	1.1
95.04990	0.8
95.08600	1.5
98.21535	0.5
99.44877	0.5
105.07023	1.5
107.04955	1.5
107.08581	1.2
109.10207	0.8
115.05453	0.8
116.81604	0.4
117.07011	0.6
119.04935	1.4
119.08575	1.8
121.02865	2.1
121.06474	0.8
121.10188	0.7
123.04402	0.9
123.11684	0.6
129.06998	0.8
131.04910	0.6
131.08530	1.1
133.02744	0.6
134.99672	0.6
135.04369	1.1
135.07964	0.6
137.02318	0.7
137.05943	0.9
141.01816	1.0
143.08539	0.8
145.02777	0.6
145.06465	1.1
145.10101	0.6
147.04391	5.2
147.08026	1.7
147.11646	0.9
148.04732	0.5
151.07617	0.5
161.09570	0.6
163.03900	0.8
163.07658	0.5
165.01810	0.8
165.12621	0.7
171.07945	0.8
175.11215	1.0
177.09099	6.8
178.44189	0.5
183.02870	1.2
183.07945	0.7
183.55182	0.5
188.08321	0.5
189.09055	0.8
191.10645	1.6
199.11049	0.5
200.04710	0.9
201.05550	1.1
203.10707	1.2
211.07558	0.7
221.09610	1.0
221.11705	11.9
221.45175	0.4
227.07100	0.6
229.04922	0.6
229.23187	0.6
239.07013	1.8
245.09602	0.9
255.06499	1.4
263.10623	0.6
267.06488	5.5
269.08090	1.2
271.05978	0.6
276.07806	1.2
277.08676	0.6
279.06573	1.3
281.08057	1.5
283.05997	33.7
284.06244	0.7
285.01157	0.7
291.10190	1.0
293.07968	0.8
295.06030	7.1
295.09592	2.0
297.07581	0.8
297.11191	1.4
299.05521	1.9
305.08270	1.1
307.05988	3.7
308.06747	4.7
309.07532	2.3
309.11273	1.7
310.11560	0.7
319.09647	6.7
321.07520	2.2
321.10846	0.6
322.08319	6.9
327.15778	0.7
337.10690	100.0
338.11038	1.8
340.12558	1.2
355.11600	3.1
355.15332	13.3
355.22177	0.7
355.26505	0.7
371.00674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
55.01867	0.3
56.96558	0.5
57.07065	0.2
59.04996	0.3
65.03918	0.4
67.05490	1.0
67.80871	0.2
68.99794	0.3
69.03419	0.3
69.07053	0.9
69.41866	1.7
69.42271	0.7
71.33669	0.2
79.00568	0.3
79.01857	0.3
79.05456	0.4
81.03392	0.6
81.07025	0.9
85.06555	0.3
91.05831	0.4
91.91259	0.2
92.99742	0.3
95.04941	0.4
95.08598	0.5
105.03368	0.2
105.07019	0.4
107.04927	0.7
107.08555	0.5
109.10137	0.3
115.05465	0.4
117.06977	0.3
119.04916	0.7
119.08561	0.4
121.02854	1.7
127.03873	0.3
129.06963	0.4
133.02844	0.6
133.10106	0.3
135.04381	0.6
137.02327	0.9
141.01793	1.3
143.08621	0.3
143.11334	0.2
145.06494	0.3
147.11671	0.3
153.06871	0.3
157.06520	0.3
165.01831	2.9
167.03378	0.3
171.08038	0.4
173.06030	0.4
173.13202	0.2
177.01826	0.3
181.06435	0.6
183.02870	2.6
183.07956	0.3
199.07506	2.3
209.06018	0.3
211.13214	0.3
227.07007	0.4
229.04900	0.7
239.06947	0.9
241.04919	0.3
245.09618	0.3
255.06508	2.9
259.06119	0.3
265.04947	0.2
265.11426	0.3
267.06488	2.9
271.06006	1.2
273.04105	0.4
275.39346	0.2
279.06439	0.6
281.08124	0.5
283.05984	70.8
284.06345	1.2
285.00797	0.3
288.00519	0.2
294.05148	0.4
295.06039	8.8
295.09497	0.9
297.07590	2.4
299.05594	0.3
307.05981	1.4
308.06778	2.1
309.07465	0.6
309.11240	1.0
319.09583	2.1
321.07465	1.0
322.08386	2.1
337.10666	14.1
337.14154	0.7
338.10931	0.4
355.11716	100.0
356.12070	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05494	0.3
59.04983	0.8
64.82828	0.3
65.92609	0.2
66.18987	0.2
67.05495	0.5
69.03425	0.7
69.07050	0.4
69.85921	1.5
73.02921	0.3
73.04753	0.4
79.05474	0.3
81.03410	0.6
81.07049	0.6
83.04971	0.3
85.02881	0.8
86.09682	0.6
89.03940	0.3
90.78471	0.3
91.05852	1.9
93.07014	0.4
95.04937	0.3
97.02877	0.6
103.05486	0.3
105.03387	0.3
105.06993	0.4
107.04961	0.5
107.08576	0.4
109.02905	0.3
109.06501	0.3
110.05999	0.2
115.05379	0.2
116.98548	0.2
119.04921	0.3
121.06507	0.3
122.03608	0.9
122.06010	1.3
123.04382	0.4
126.05637	0.3
127.03922	0.6
128.10722	0.3
133.02840	17.9
136.07558	0.4
137.05965	5.0
139.79207	0.2
140.07004	0.2
147.04407	0.4
149.05963	1.6
150.03091	0.8
150.05481	0.9
152.07088	0.5
161.02295	0.3
161.06004	0.3
162.05540	0.3
162.06760	0.2
164.07033	0.5
165.05472	2.7
166.08589	0.7
167.07042	0.2
168.06500	0.5
170.08115	0.7
175.11234	0.3
178.02606	9.8
179.02953	0.3
180.07793	1.0
181.04875	0.3
182.08215	0.2
184.09686	0.5
188.09178	0.5
192.06488	0.3
193.04947	100.0
194.05229	1.8
201.05479	1.3
219.20665	0.3
261.54868	0.3
268.97891	0.4
285.01099	0.4
303.01953	0.3
313.10703	0.3
319.12750	0.3
320.11356	0.5
337.13953	0.4
338.12436	0.4
355.07437	1.1
355.14200	1.5
373.08301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05504	0.4
57.03434	0.5
59.04985	1.2
67.05492	0.4
69.03418	0.9
69.07056	0.4
71.59658	0.4
73.02923	0.3
73.04754	0.7
79.05486	0.6
81.03423	0.5
81.07067	0.3
83.04976	0.5
84.08172	0.5
85.02892	1.3
86.09683	0.7
87.62337	0.3
89.03870	0.3
91.05855	1.8
93.07027	0.5
95.04935	0.5
95.08643	0.4
97.02882	0.9
97.06532	0.3
98.97579	0.4
99.04440	0.4
103.05438	0.3
105.03375	0.5
105.07065	0.5
107.04956	0.5
109.02914	0.4
109.06541	0.5
109.10219	0.4
109.35271	0.3
110.06034	0.4
117.03320	0.4
119.04961	0.5
119.08601	0.6
122.03614	0.8
122.06019	3.0
124.07564	0.3
127.03841	0.5
130.29636	0.3
133.02846	17.3
133.06479	1.0
133.10141	0.3
135.07985	0.3
136.07674	0.3
137.05969	4.8
138.09180	0.4
145.05026	0.3
147.04395	0.6
149.05931	1.9
150.03117	0.6
150.05499	2.1
151.03899	0.4
152.07056	0.8
154.08546	0.3
161.02312	0.3
161.05962	1.2
162.06752	0.3
163.03888	0.3
164.07054	0.8
165.05492	2.3
166.08676	0.8
168.06558	1.1
170.08052	1.0
177.05249	0.4
178.02606	8.2
180.07886	0.4
188.09216	0.4
192.06447	0.3
193.04951	100.0
194.05293	1.7
201.05499	1.1
225.46729	0.3
234.98964	0.4
262.06311	0.3
268.97824	0.6
285.00879	0.7
295.09290	0.3
302.10138	0.4
313.10770	0.5
319.12735	0.4
323.09113	0.3
337.13654	1.0
338.12338	0.5
355.06998	0.7
355.13989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
55.01857	0.5
55.05504	0.4
57.03434	0.5
59.04985	1.2
67.05492	0.4
69.03418	0.9
69.07056	0.4
71.59658	0.4
73.02923	0.3
73.04754	0.7
79.05486	0.6
81.03423	0.5
81.07067	0.3
83.04976	0.5
84.08172	0.5
85.02892	1.3
86.09683	0.7
87.62337	0.3
89.03870	0.3
91.05855	1.8
93.07027	0.5
95.04935	0.5
95.08643	0.4
97.02882	0.9
97.06532	0.3
98.97579	0.4
99.04440	0.4
103.05438	0.3
105.03375	0.5
105.07065	0.5
107.04956	0.5
109.02914	0.4
109.06541	0.5
109.10219	0.4
109.35271	0.3
110.06034	0.4
117.03320	0.4
119.04961	0.5
119.08601	0.6
122.03614	0.8
122.06019	3.0
124.07564	0.3
127.03841	0.5
130.29636	0.3
133.02846	17.3
133.06479	1.0
133.10141	0.3
135.07985	0.3
136.07674	0.3
137.05969	4.8
138.09180	0.4
145.05026	0.3
147.04395	0.6
149.05931	1.9
150.03117	0.6
150.05499	2.1
151.03899	0.4
152.07056	0.8
154.08546	0.3
161.02312	0.3
161.05962	1.2
162.06752	0.3
163.03888	0.3
164.07054	0.8
165.05492	2.3
166.08676	0.8
168.06558	1.1
170.08052	1.0
177.05249	0.4
178.02606	8.2
180.07886	0.4
188.09216	0.4
192.06447	0.3
193.04951	100.0
194.05293	1.7
201.05499	1.1
225.46729	0.3
234.98964	0.4
262.06311	0.3
268.97824	0.6
285.00879	0.7
295.09290	0.3
302.10138	0.4
313.10770	0.5
319.12735	0.4
323.09113	0.3
337.13654	1.0
338.12338	0.5
355.06998	0.7
355.13989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01832	1.0
55.05481	1.4
56.96560	0.7
57.03407	1.1
65.03918	0.7
67.05466	2.6
69.03389	2.3
69.07051	0.7
69.77561	4.2
69.99293	0.5
71.04951	0.7
73.02889	2.0
73.04717	2.1
77.03866	0.8
79.05481	0.7
81.03349	1.3
81.07014	1.3
82.06575	5.9
83.04933	1.0
84.96063	0.7
85.02898	4.5
86.03214	0.6
89.10798	0.6
91.05816	13.1
92.87405	0.5
93.07004	0.9
95.04916	0.8
96.02672	0.6
97.02846	1.6
97.06503	0.8
98.21374	1.2
98.53629	0.6
98.97566	0.6
99.04404	1.0
107.04888	0.7
108.08057	0.8
109.02829	1.2
110.06036	20.1
112.03943	1.3
113.06000	0.7
114.07264	0.7
116.98604	1.4
121.02839	0.7
122.05985	2.4
122.07112	0.9
123.04401	0.9
125.06039	0.7
126.05498	6.9
127.03885	1.8
128.07030	2.0
128.98663	0.7
131.04901	0.7
136.07567	50.0
137.02263	0.7
137.05923	0.8
138.05499	3.3
138.09129	0.8
139.03909	0.8
140.07013	1.8
145.02771	0.7
145.04959	0.7
146.99588	0.7
147.04338	0.8
149.05927	0.9
150.05447	2.0
151.03880	3.2
152.07050	1.9
153.05499	0.8
155.03285	1.0
156.06631	0.8
159.06689	0.7
162.09111	0.8
163.03883	3.3
164.07057	100.0
165.05475	0.9
165.07405	1.0
166.04945	0.8
168.06531	0.6
170.08142	0.7
171.04483	0.7
177.01625	0.9
177.05452	3.6
182.08119	86.1
183.08400	1.2
185.04242	0.9
189.05489	0.8
190.08456	0.7
192.03912	8.9
193.04861	7.4
203.07121	0.6
203.11789	0.6
205.05026	1.3
208.09645	4.1
211.00459	0.6
221.04492	2.5
230.08125	1.0
231.11633	0.6
237.02734	1.1
241.09752	0.8
255.06378	0.6
256.09625	0.9
259.10748	1.1
268.97815	3.0
273.07510	0.7
273.12299	0.6
274.10745	0.9
285.00998	3.4
301.07071	0.9
301.11914	2.3
302.10233	0.8
303.02136	1.7
311.47470	0.8
319.12781	4.4
320.11282	1.2
324.08218	0.8
325.08994	0.8
337.09351	2.8
337.13943	2.6
338.12518	0.8
355.10120	71.0
355.14664	4.7
356.10388	1.7
373.08105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81244	0.7
55.01860	2.4
56.96560	1.7
57.03431	4.7
58.97844	0.6
61.02931	1.0
64.40458	0.7
67.05499	3.1
69.03421	3.3
69.07066	4.0
71.04987	8.4
71.61629	1.2
73.02911	6.6
79.05452	0.8
81.03426	1.1
81.07039	2.2
83.04963	1.4
85.02901	7.8
85.06533	4.0
87.04455	1.0
91.05840	4.5
93.07024	1.8
95.04971	7.4
96.04525	0.9
97.02887	2.2
97.06535	2.9
98.97578	1.1
101.02377	18.3
104.88301	0.7
106.06551	1.0
107.04959	1.0
109.02867	1.3
110.06046	3.2
111.08053	3.6
113.06001	100.0
114.06346	1.2
115.07561	16.6
116.98695	0.9
119.03433	0.8
119.04937	0.7
122.06018	1.9
123.04401	1.2
124.07636	0.8
127.03898	2.1
129.09094	1.7
131.04919	1.3
131.07037	40.7
132.07465	1.0
133.02850	1.4
133.06454	0.8
135.04410	1.7
136.07553	1.3
137.05940	1.8
139.03947	1.2
139.07518	4.9
140.07071	1.0
145.04964	1.2
146.06123	0.8
146.96916	0.7
147.04395	1.0
149.06020	1.0
150.05536	0.9
150.06757	1.3
151.03915	1.0
153.01845	3.2
157.08604	16.1
158.99562	0.8
161.01175	1.0
161.06078	0.8
163.03914	2.0
164.07080	1.2
171.02934	1.3
174.05518	2.7
175.03894	1.1
175.09651	20.6
177.00623	1.3
177.05502	2.0
178.02539	0.8
188.55067	0.9
192.06621	2.2
192.10162	1.0
192.12263	0.8
193.04961	12.4
203.07484	1.1
205.04974	1.0
207.06522	1.0
220.39975	0.8
221.04388	1.0
223.09171	0.8
268.97852	1.2
285.00986	1.9
290.12140	1.4
318.11710	1.0
336.12820	3.6
337.09109	1.5
354.11646	0.8
355.06741	1.7
355.14258	1.5
379.89914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1179
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01868	0.4
57.03419	0.4
59.75241	0.3
61.02908	0.7
67.05475	0.5
69.03410	2.1
69.07052	0.8
70.77435	0.7
70.77809	0.7
71.04960	0.5
73.02891	0.3
77.03899	0.3
81.03396	0.8
85.02895	3.6
87.04447	0.8
91.05445	2.1
94.06536	3.2
95.04949	0.8
97.02858	0.9
97.06559	0.4
99.04437	0.4
109.02853	0.4
115.07547	3.7
118.06524	5.4
118.67835	0.3
122.06020	4.0
127.03920	0.4
133.02867	0.4
134.06024	0.5
145.04982	0.6
146.05994	15.5
147.06721	0.3
150.05489	1.3
151.20502	0.3
157.08571	2.1
161.13231	0.3
162.05472	0.9
164.07033	6.0
171.10010	0.3
174.05486	100.0
175.05934	1.5
175.09584	1.6
176.07043	0.9
192.06534	48.0
193.04973	3.3
193.06648	0.6
228.53191	0.3
336.10693	1.2
354.11786	53.6
355.12442	1.8
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
53.03917	2.2
55.05512	13.1
56.05051	1.1
56.96554	2.7
57.03428	5.4
57.07061	4.1
65.03930	3.9
67.05500	94.0
68.05831	2.4
69.07063	17.2
70.76534	3.8
71.04979	1.5
71.08624	1.9
79.05488	43.1
79.57676	1.1
80.05826	1.1
81.07052	100.0
82.07390	3.1
83.04978	2.3
83.08621	9.5
85.06540	3.6
85.10188	1.5
91.05470	21.2
93.07037	53.3
94.07345	2.3
95.04951	3.3
95.08602	74.7
96.08939	1.6
97.06529	3.9
97.10157	4.4
99.08048	1.8
100.74393	1.1
102.34492	1.1
105.07027	17.0
107.04963	1.4
107.08590	37.9
109.06519	2.8
109.10153	40.3
111.08055	2.8
111.11719	1.9
117.07011	8.7
119.08575	14.9
121.10133	33.3
123.08053	2.1
123.11698	20.3
125.09631	1.9
131.08559	21.5
133.10126	13.9
135.08081	1.6
135.11674	27.8
137.09581	1.8
137.13268	7.0
143.62961	1.3
145.10117	16.3
147.11690	12.0
149.13252	18.3
151.14861	3.2
159.11688	15.7
161.13234	10.0
163.11215	1.4
163.14815	14.1
165.12688	2.7
165.85086	1.2
173.13235	16.4
175.14815	2.5
177.12759	1.3
177.16368	4.7
187.14789	8.7
191.17900	1.3
195.07993	3.6
197.09683	1.4
201.16383	3.8
205.15851	2.3
209.15305	1.4
233.22630	5.3
234.23683	1.4
241.08746	1.4
243.21075	26.3
244.21397	2.9
244.42802	1.3
261.22131	95.5
262.22495	6.1
279.23294	6.9
283.06024	1.4
295.06088	1.3
297.07486	3.3
307.20618	2.5
317.24524	2.0
323.09021	3.3
335.25851	17.3
337.10660	3.2
338.10898	1.5
353.13800	28.9
353.20441	1.6
353.26895	32.6
354.14023	4.9
354.27283	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84483	1.9
55.05511	12.0
57.07066	5.5
63.76216	1.9
67.05503	80.4
68.05813	2.3
69.07077	13.9
69.66976	13.5
72.42319	1.8
79.05489	39.0
81.06574	3.9
81.07056	82.5
83.08619	5.9
85.06546	2.9
91.05486	18.2
93.07043	55.3
95.04959	3.5
95.08603	65.3
97.06561	3.6
97.10150	3.4
98.20821	3.2
99.08093	2.8
105.07027	18.5
107.08589	36.1
109.10155	38.6
111.08122	2.3
117.07026	9.2
119.08575	18.0
121.10139	30.4
123.11699	21.1
131.08594	18.4
133.10110	12.9
135.11696	28.4
137.13240	8.7
139.02917	1.9
145.10100	13.8
147.11702	11.2
149.13254	21.9
151.14792	3.0
159.11700	13.9
161.13246	12.6
163.14815	15.6
173.13258	14.4
175.14790	4.4
177.16414	5.2
179.14159	2.3
187.14780	9.5
201.16451	2.4
233.22662	3.2
243.21094	24.6
261.22137	100.0
262.22461	4.9
263.23755	2.2
279.23199	3.0
335.25833	7.2
353.26874	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05507	11.9
57.03433	1.8
57.07072	2.6
57.56218	1.5
58.91623	1.5
63.35004	1.6
65.03910	2.2
67.05502	72.5
69.07063	9.3
70.40644	6.7
71.04979	3.3
71.08606	3.4
79.05492	34.7
81.07056	70.3
83.08610	6.3
85.06550	1.9
91.05486	17.3
93.07043	48.2
95.04967	2.5
95.08603	57.8
97.06532	2.7
97.10164	3.7
101.54967	1.6
105.07019	13.9
107.08578	32.1
109.10152	29.5
111.08076	2.6
117.07008	7.9
117.41583	1.6
119.08569	13.5
121.10144	27.5
123.11707	20.5
131.08568	22.2
133.10107	10.9
135.11682	29.2
137.13205	8.5
145.10132	13.9
146.83504	1.7
147.11649	8.4
149.13255	18.6
159.11661	11.5
161.13246	9.8
163.11151	1.9
163.14796	12.7
173.13272	15.9
174.14777	1.8
175.14827	2.9
177.16391	5.3
187.14832	8.1
189.16409	1.7
201.16370	2.2
215.18130	1.6
233.22556	3.1
243.21074	27.4
244.21324	2.2
261.22137	100.0
262.22540	7.4
279.23178	4.6
293.49988	2.0
335.25818	5.6
336.26346	1.9
353.26874	30.7
354.27148	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.62267	2.9
53.82144	3.7
55.05497	13.0
57.03417	6.6
57.07061	5.2
66.04679	3.0
67.05500	99.1
69.07042	13.5
69.35551	9.6
69.35971	23.7
79.05481	38.6
81.06572	6.0
81.07047	98.5
83.04966	3.7
83.08627	6.1
85.06538	4.3
88.80730	3.1
91.05462	16.4
93.07035	57.3
95.04931	3.4
95.08599	76.8
98.21552	6.9
99.48458	3.2
105.07010	19.3
107.08590	39.2
109.10150	36.5
117.06976	9.0
119.08573	14.0
121.10130	31.2
123.11695	19.0
129.77571	3.4
131.08542	18.1
133.10110	13.0
135.11694	23.2
137.13206	11.9
140.50330	2.8
145.10081	14.8
147.11691	7.8
149.13264	16.5
151.14827	3.6
153.12704	2.9
159.11655	11.5
161.13240	9.6
163.14787	11.5
173.13216	15.3
177.16406	4.3
187.14818	6.5
233.22696	5.1
243.21088	26.7
261.22113	100.0
267.87125	3.2
279.23233	5.2
335.25681	15.2
339.38306	3.1
353.26840	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05506	12.4
57.03421	5.0
57.07061	4.8
57.43785	1.9
57.79252	2.4
66.87223	2.1
67.05499	76.3
69.07060	13.8
71.05013	8.1
79.05482	36.7
79.11335	2.1
81.07050	93.5
82.07372	2.4
83.08609	6.8
85.06536	5.1
91.05479	20.7
93.07037	52.2
95.04962	3.0
95.08598	70.3
96.08931	2.0
97.10178	4.6
105.07025	17.3
107.08585	37.2
109.10148	41.3
117.07013	7.2
119.08591	13.6
120.61513	2.3
121.10114	32.2
121.97173	2.5
123.11711	18.7
131.08563	17.6
133.10118	11.1
135.11664	28.4
137.13277	7.7
145.10054	13.8
147.11668	13.1
149.13248	23.5
151.14809	3.0
159.11702	12.9
161.13266	9.4
163.14777	15.3
173.13216	14.0
175.14777	4.4
177.16383	3.9
187.14836	8.9
201.16377	2.9
233.22685	5.6
243.21060	28.8
251.56447	2.1
261.22119	100.0
262.22498	7.6
263.23581	2.3
279.23257	6.3
283.19009	1.9
296.68747	2.1
303.37875	2.0
305.36292	2.2
335.25778	18.3
345.65244	2.0
353.26813	36.5
354.27237	2.7
366.79407	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	1.6
55.05507	17.6
57.03434	6.1
57.07061	3.6
65.03922	3.0
67.05501	99.3
68.05833	2.0
69.07062	13.8
70.47382	3.8
71.04980	1.3
75.04483	1.7
77.69646	0.9
79.05489	44.2
81.07053	100.0
82.07378	1.7
83.04961	1.3
83.08620	8.2
85.06556	2.4
91.05472	21.2
93.07043	54.4
95.04975	5.0
95.08604	75.9
96.08909	1.9
97.06518	2.9
97.10165	3.6
99.08080	2.2
105.07029	17.5
107.08589	37.6
108.68160	1.1
109.06499	1.8
109.10152	39.1
111.08073	2.4
117.07005	8.5
119.08580	15.2
121.09300	2.1
121.10140	29.7
121.11022	1.8
122.10445	1.3
123.08098	1.3
123.11700	20.9
128.78781	1.0
131.08578	18.8
132.08885	1.2
133.10129	13.0
135.11676	23.4
136.12045	1.4
137.09604	2.1
137.13260	6.7
139.11113	2.8
145.10124	15.8
147.11678	7.9
149.13252	19.2
151.11145	1.5
151.14684	1.5
159.11705	12.2
161.13243	8.1
163.11142	1.2
163.14812	11.5
165.12833	1.4
173.13251	13.6
175.14835	4.3
177.12718	1.5
177.16386	6.0
179.14336	1.8
184.27599	1.3
187.14833	9.1
201.16335	1.9
205.15981	1.4
210.36081	1.1
215.17824	1.7
233.22649	4.5
243.21082	24.5
261.22134	81.7
262.22464	4.0
279.23105	6.6
335.25687	13.8
353.26871	29.4
354.27216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71753	1.4
55.01867	2.0
55.05511	5.5
57.03419	1.9
57.07063	4.3
59.05009	1.8
65.01582	1.7
66.34141	1.5
67.05497	11.5
69.03420	8.6
69.07067	17.6
70.26340	2.5
70.26741	3.7
71.04992	12.1
71.08626	1.8
79.05502	3.8
81.03424	4.0
81.07059	15.2
83.04980	2.3
83.08597	1.8
85.02889	7.5
85.06545	2.9
85.10189	2.9
89.06038	10.4
91.05446	3.9
93.07040	5.4
93.86217	1.6
95.04987	3.3
95.08603	72.8
96.08940	2.3
97.02878	3.3
97.06538	1.8
97.10161	17.8
98.97565	1.6
99.08089	9.8
105.07034	4.9
107.04942	4.0
107.08600	5.3
109.02881	2.3
109.06519	2.6
109.10163	4.9
111.11710	7.1
113.09638	100.0
119.08569	3.1
121.02794	2.1
121.10149	4.1
123.08100	2.2
123.11684	2.2
125.09621	5.0
127.03925	3.4
128.04202	1.9
133.10135	3.0
135.08069	1.9
137.05960	5.4
137.09636	3.3
137.13249	24.6
139.11269	1.7
145.10110	2.3
147.08125	1.7
149.09651	3.3
151.07475	2.0
155.14293	13.4
159.11740	2.4
165.09081	2.4
167.07050	4.3
173.15369	73.2
174.15678	2.7
176.50911	1.6
177.05467	2.4
191.03412	2.3
191.10692	2.5
191.14604	3.4
191.16403	41.7
192.10210	3.1
209.08157	1.7
264.27805	1.6
297.07590	1.8
299.19949	2.0
314.41837	1.8
317.21298	2.4
325.07104	9.1
335.21899	1.6
353.06531	31.8
353.10327	3.9
353.15152	2.1
353.19040	3.9
354.06848	5.3
373.53485	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01839	1.0
55.05260	1.1
55.05504	14.1
57.03426	3.2
57.07066	5.1
65.03916	2.3
67.05497	95.0
68.05844	1.1
69.07061	14.1
70.22164	1.7
70.22578	2.7
71.04979	2.9
71.08598	1.9
75.04461	1.0
76.13523	0.9
79.05486	45.3
81.07047	92.5
83.04967	0.9
83.08598	7.4
85.06528	3.8
91.05470	20.3
93.07034	62.1
94.07362	1.4
95.04956	3.0
95.08595	72.5
96.08917	2.1
97.06507	3.4
97.10164	3.5
98.20791	0.9
99.08061	3.0
105.07014	20.7
105.07671	1.7
107.08582	40.5
108.08869	1.4
109.06491	1.1
109.10145	32.7
111.08063	1.7
111.11764	1.3
113.09644	2.4
115.05347	0.9
117.06988	9.7
119.08569	17.7
121.10129	37.9
123.08036	1.7
123.11689	20.0
125.09573	1.1
129.06918	1.1
131.08562	22.3
133.10118	15.3
135.11681	29.6
136.11958	1.4
137.09593	1.6
137.13251	5.6
139.11101	1.4
145.10107	17.3
147.11665	11.7
149.09615	1.2
149.13237	21.1
150.13507	1.0
151.14760	2.5
153.12738	1.7
159.11671	15.6
161.13239	9.8
163.11127	1.1
163.14804	12.7
165.12726	1.9
173.13245	16.4
175.14809	4.9
177.16399	4.0
187.14792	10.3
189.16446	1.2
191.14284	1.0
201.16350	2.7
205.15866	1.7
215.17877	0.9
217.19130	0.9
219.17392	1.9
219.83218	0.9
233.22610	3.8
243.21060	27.9
244.21368	1.5
261.22113	100.0
262.22375	6.9
263.23688	1.5
279.20181	1.0
279.23215	3.2
335.25797	8.9
353.26797	34.2
354.27240	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.138
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
56.62034	0.4
67.05498	0.6
69.07066	18.4
71.01049	0.6
71.01397	0.7
79.09303	0.5
91.05496	0.4
93.07022	0.6
95.04998	0.5
95.08593	0.5
97.06516	0.4
100.77080	0.3
105.07008	0.5
107.04957	3.3
107.08662	0.3
109.10094	0.4
118.97282	0.4
119.08595	0.4
121.06479	0.4
121.10110	0.6
123.04414	3.8
125.09599	0.7
134.03624	7.4
135.11678	0.6
137.01344	0.6
137.02333	8.5
147.04395	0.8
149.05916	0.6
163.03914	1.1
187.07558	0.5
187.97025	0.4
191.10699	0.8
197.06007	0.8
201.05521	0.5
212.04726	0.4
225.05463	2.3
229.08621	1.9
238.08313	0.4
241.08585	0.8
242.05769	1.2
253.04965	10.5
254.05101	0.5
257.07999	1.3
267.06705	0.6
269.04443	2.8
269.07855	0.7
270.05222	11.0
271.05609	0.6
273.38440	0.4
279.06165	0.4
283.06046	0.5
285.07565	74.7
286.07977	5.1
295.06174	0.8
295.09528	0.5
297.07486	4.6
305.08060	0.5
309.07596	0.4
311.09094	1.2
323.09146	5.0
324.09219	0.5
325.14215	1.2
337.10666	1.0
338.11282	1.1
353.13815	100.0
354.14188	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	353.1383
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
50.51126	1.2
52.20008	1.1
52.65004	1.2
53.03935	1.9
53.53135	1.4
55.05509	2.0
57.03425	1.5
57.07071	2.2
57.19047	1.2
64.99361	1.2
67.03732	1.1
67.05502	11.9
68.96915	1.1
68.99785	2.8
69.07066	51.5
70.17043	6.2
71.05009	1.4
72.61250	1.2
73.50465	1.2
79.05499	6.2
81.07050	11.4
83.04985	2.0
83.08616	1.5
91.04922	1.3
91.05478	4.8
93.07034	9.1
95.04951	4.5
95.08603	7.6
97.06521	1.3
105.07040	4.7
107.04951	85.2
107.08579	5.1
108.05279	2.0
109.10152	5.0
111.08064	1.6
117.06994	2.0
119.08586	5.3
121.06512	1.7
121.10153	5.2
123.04427	40.3
123.11727	2.4
129.07091	1.2
131.08574	3.5
133.10120	1.9
134.03632	1.8
135.04407	4.1
135.11684	3.8
145.10107	3.5
147.04399	2.9
147.11688	1.6
149.05975	16.0
149.13231	1.9
154.36375	1.3
159.11702	3.5
161.05984	2.9
161.13284	1.4
165.28470	1.3
173.09622	4.2
173.13373	2.2
175.14777	1.2
187.14807	1.4
191.10661	48.2
192.11031	2.6
197.05940	2.1
201.16562	1.5
212.04706	2.4
213.05394	3.7
229.08578	19.9
241.05040	3.1
241.08641	1.3
242.05713	1.9
243.21048	2.4
255.06572	7.9
256.07324	20.1
257.08075	23.0
261.22064	5.9
267.06625	1.2
267.10223	4.5
269.08234	2.6
285.07596	27.3
294.08957	1.9
295.09555	3.4
297.07416	3.6
297.14847	43.7
309.11215	2.2
310.12048	6.3
323.09207	3.1
324.13629	6.0
325.14319	100.0
326.14725	5.1
337.10349	1.6
353.13831	65.6
353.25504	5.3
354.14032	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	353.1379
Annotation	Bolucarpan D
Peak:m/z	Relative Intensity
55.05491	0.9
56.96532	0.5
58.22395	0.2
59.04981	0.7
67.05486	0.6
69.03418	0.7
69.07057	1.2
69.91036	1.4
71.04971	0.6
73.02900	0.2
79.05473	0.8
80.01081	0.2
81.07031	1.4
83.04951	0.4
83.08541	0.2
85.02894	0.7
91.05457	1.0
93.07025	1.3
95.04954	0.7
95.08604	1.4
96.33604	0.2
96.73225	0.2
97.02859	0.4
97.06508	0.4
97.10130	0.3
105.07027	1.4
107.04939	3.0
107.08579	1.4
109.06519	0.3
109.10142	1.3
117.06976	0.3
119.04984	0.3
119.08553	0.9
121.06494	0.2
121.10124	1.4
123.04420	0.7
123.08044	0.4
123.11693	0.5
125.09617	0.4
129.06961	0.3
131.04887	0.6
131.08524	0.6
133.10100	0.8
135.04411	1.7
135.11699	0.5
137.05952	0.5
137.09619	0.4
139.11157	0.3
145.02771	0.3
145.06473	0.5
145.10106	0.7
147.04396	5.6
147.06203	0.3
147.11679	0.5
149.09596	0.2
151.11125	0.4
153.54852	0.2
157.10069	0.3
158.10994	0.2
159.04401	0.8
159.11679	0.5
160.05142	0.6
161.05942	0.4
161.09634	0.5
167.07021	0.7
167.08469	0.2
169.10091	0.4
173.06047	0.6
173.09613	0.3
173.13283	0.4
175.11203	0.3
177.05457	0.4
177.09027	0.4
183.08020	0.3
185.05879	0.3
186.06755	0.2
191.06958	0.4
195.08080	0.7
199.07487	0.3
207.10158	0.5
210.06766	0.3
211.07480	0.6
213.09029	0.4
218.07259	0.4
222.06818	0.3
223.07520	2.5
224.08040	0.3
231.10194	0.6
233.09584	0.3
234.06691	0.3
235.07425	0.3
238.06235	0.8
239.06898	0.5
247.07480	0.4
250.06259	0.3
251.06985	2.4
252.07550	0.5
253.04944	0.3
255.06453	0.6
261.09064	0.5
263.07028	0.6
265.04514	0.2
265.08594	0.4
265.53708	0.3
266.05768	1.3
267.06491	6.2
267.09726	0.4
268.07162	0.9
277.04913	0.6
278.05795	0.4
279.06482	25.8
280.07077	2.9
281.08041	1.9
282.08578	0.3
285.07452	0.3
289.08505	0.6
292.07202	0.7
293.08029	7.0
293.11371	0.4
294.08771	2.3
295.06165	0.4
295.09488	1.9
299.20074	0.4
305.08047	1.9
306.08893	0.3
307.09558	0.3
309.11264	0.6
317.21097	0.4
319.09769	0.6
320.10428	0.4
321.11203	2.1
323.09268	1.3
323.12451	0.3
335.12637	0.7
335.22275	0.3
337.10510	1.2
338.07761	0.3
338.11255	1.3
353.13785	100.0
354.10278	0.4
354.14111	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1382
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
51.11481	0.3
55.05486	0.4
67.05496	1.5
67.73270	0.3
68.99798	0.3
69.07066	26.4
71.34284	0.8
79.05492	0.4
79.72658	0.3
81.03378	0.3
81.07036	1.4
83.08121	0.3
83.08601	0.4
83.65414	0.3
85.16092	0.3
91.05487	0.5
93.07025	1.1
95.04942	0.8
95.08567	1.0
105.07005	0.8
107.04950	28.4
107.08554	0.5
108.05292	0.7
109.10135	0.7
121.06524	0.4
121.10133	0.9
123.04426	23.1
131.08554	0.7
133.10165	0.5
135.11699	0.3
141.06935	0.3
145.10129	0.8
147.04387	0.4
149.02373	0.7
149.05887	0.4
149.13263	0.4
151.07619	0.3
157.06332	0.3
161.05992	0.5
169.06462	0.4
171.11557	0.3
177.16362	0.5
181.06430	0.5
191.10693	0.8
197.05991	1.4
197.13361	0.4
198.06834	0.5
199.07440	0.4
211.07523	0.3
213.05536	0.6
213.09004	0.3
214.06300	0.5
219.10274	0.4
223.60771	0.3
225.05438	1.5
226.06230	1.7
229.08586	24.5
230.08922	1.3
239.07104	0.4
241.08806	0.4
242.05731	4.4
243.21089	0.5
253.05014	1.3
254.05646	0.5
255.06473	0.6
257.08084	11.6
258.08307	0.6
261.21982	0.5
267.06287	0.5
270.05228	6.1
271.05676	0.5
283.06180	0.6
283.09302	0.5
285.07568	100.0
286.07898	5.4
295.09521	0.4
297.07474	2.8
297.14966	0.4
298.07751	0.4
311.09021	1.6
323.09158	1.5
325.14374	1.3
330.68399	0.3
338.11267	0.6
353.13818	48.6
354.14163	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1379
Annotation	Gancaonin M
Peak:m/z	Relative Intensity
55.05510	1.9
57.90642	1.7
61.01542	1.3
62.64589	1.6
62.83722	1.7
67.05495	4.0
68.99780	3.0
69.07062	14.5
71.61016	3.0
79.05473	3.9
81.07034	5.3
91.05468	3.5
93.07014	4.7
95.04973	3.8
95.08588	2.5
105.07014	3.7
107.04945	45.4
108.05246	1.6
109.10149	2.5
119.04946	2.6
119.08581	1.7
121.06500	3.1
121.10104	2.5
123.04419	22.9
131.08571	3.3
132.02893	1.7
133.02921	2.4
135.04427	4.7
137.02351	2.4
137.05998	3.4
145.06497	2.1
145.10039	1.7
147.04393	5.5
147.11674	1.8
148.05083	2.3
149.02339	8.7
149.05954	15.5
149.09593	4.2
151.03792	1.7
161.05963	4.4
161.09593	1.6
163.03853	4.7
165.07025	1.8
172.81294	1.4
173.09633	4.2
173.13448	1.5
175.07607	1.9
176.06508	1.5
176.08395	1.6
177.09067	12.8
184.92863	1.4
185.06059	1.7
191.10657	34.8
192.11111	2.7
201.09059	2.3
212.04625	1.5
213.05591	2.6
213.09041	4.2
215.10472	2.0
219.10229	1.8
223.07565	1.5
226.06195	2.0
227.07037	2.9
229.08578	4.9
239.07211	1.9
241.04939	4.0
241.08661	2.3
249.09183	2.7
251.07140	2.7
254.05669	1.8
255.06540	6.1
256.07260	10.9
257.08023	5.3
267.10162	4.0
269.04541	2.0
269.08029	8.8
270.05029	2.3
277.08652	3.3
279.06461	2.9
283.06079	3.1
285.07535	9.8
293.08157	4.8
293.11566	2.1
294.08737	2.6
294.12085	2.9
295.06128	3.3
295.09641	4.5
297.03992	8.7
297.07556	12.8
297.14795	23.3
298.15408	2.2
305.08023	9.9
310.12079	6.0
319.09485	3.2
320.10437	4.4
321.11197	6.0
323.09100	14.8
324.13452	3.9
325.14319	64.7
326.14645	7.3
335.12714	18.8
337.10541	5.8
337.14362	6.4
338.11151	3.7
353.10391	4.3
353.13815	100.0
354.14438	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1381
Annotation	8-(1,1-Dimethylallyl)-3-methylgalangin
Peak:m/z	Relative Intensity
50.50291	0.6
51.02349	0.5
56.96548	0.8
59.65422	0.6
61.59667	0.5
67.05498	1.4
69.03414	1.1
69.07069	2.8
69.27806	6.6
79.05476	1.8
81.07035	2.3
91.05460	1.4
92.84940	0.6
93.07038	2.3
94.52171	0.6
95.04989	0.9
95.08582	2.0
97.06511	1.1
105.03394	0.6
105.06997	1.9
107.04928	0.8
107.08608	1.1
109.10129	1.4
117.06902	0.6
119.08559	1.3
121.02805	0.6
121.10162	1.4
123.04389	1.0
126.78539	0.6
131.08589	0.7
133.02855	3.6
133.10117	0.9
134.99615	0.7
135.04378	1.2
135.07973	0.8
135.11664	0.6
143.08553	0.7
147.04382	1.6
148.09978	0.6
149.06021	0.7
151.03906	1.2
151.11179	0.6
157.06247	0.7
157.10133	1.1
159.11708	0.7
161.05904	0.7
163.03915	6.0
167.08542	0.7
168.65372	0.6
171.11673	0.7
173.05957	1.4
187.07471	0.6
189.08968	0.6
191.10600	1.2
209.06169	0.8
215.10657	1.6
221.09756	0.7
224.93347	0.5
225.05432	0.6
228.11409	0.6
249.09088	1.8
253.04945	1.6
265.05051	0.7
267.06393	0.7
267.10114	2.1
269.04266	0.7
277.08606	1.3
279.06470	1.2
280.07104	0.5
281.04480	5.4
282.05099	1.4
283.05975	5.9
284.06693	1.3
293.04410	1.3
293.07874	0.9
295.06113	1.1
295.09567	1.2
296.06754	0.9
297.07532	1.9
305.08154	0.9
307.06082	1.3
307.09470	1.2
308.06708	3.0
317.17291	0.7
321.11224	1.3
323.09116	18.1
323.12891	1.1
324.09225	1.1
325.10684	1.6
330.27948	0.6
335.09116	1.2
337.10696	8.8
338.11526	7.9
353.10080	14.8
353.13831	100.0
354.10370	1.3
354.14224	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	353.1382
Annotation	8-(1,1-Dimethylallyl)-3-methylgalangin
Peak:m/z	Relative Intensity
55.05486	0.4
63.34248	0.1
63.76605	0.1
67.05477	0.5
68.99795	0.2
69.03413	0.3
69.07047	0.5
70.18014	0.4
70.18429	0.3
71.04961	0.2
72.69710	0.1
79.05482	0.4
81.03404	0.2
81.07033	0.8
83.04926	0.2
85.06541	0.3
91.05476	0.9
93.07024	0.7
95.04941	0.3
95.08601	0.7
97.02876	0.3
97.10178	0.4
100.11299	0.1
105.07029	0.6
107.04950	3.7
107.08590	0.6
109.06490	0.1
109.10143	0.6
111.15759	0.1
119.08585	0.5
121.06583	0.1
121.10141	0.4
123.04465	0.8
123.08072	0.2
123.11671	0.3
131.04903	0.2
131.08508	0.3
133.06409	0.3
133.10114	0.6
135.04404	2.2
135.07993	0.1
135.11591	0.2
137.05963	0.3
137.09555	0.3
139.11143	0.2
141.06940	0.2
143.08585	0.2
145.02768	0.2
145.06561	0.3
145.10138	0.3
147.04401	5.7
147.08028	0.5
147.11656	0.4
151.11189	0.4
159.04416	0.4
159.08070	0.2
159.11685	0.2
160.05193	0.4
161.05984	0.9
161.09590	0.4
161.13319	0.1
163.07533	1.1
163.11140	0.3
167.07034	0.6
171.08058	0.2
173.05914	0.2
173.09615	0.3
175.07558	0.3
175.11113	0.3
177.05429	0.4
177.09114	0.3
181.06470	0.2
183.08102	0.2
185.06010	0.4
185.09480	0.2
187.07593	1.3
189.09166	0.2
191.06952	0.2
191.10606	0.2
197.05983	0.2
197.77945	0.1
198.06743	0.2
199.07539	0.4
201.09138	0.3
207.10094	0.7
213.09044	0.4
219.10164	0.1
223.07487	0.2
225.09145	0.2
229.08583	0.2
231.10181	1.1
235.07497	0.2
237.09081	1.1
238.20105	0.1
239.06972	0.2
251.07028	0.3
251.10629	0.2
253.04973	0.3
261.09137	0.2
264.07855	0.2
265.08594	0.7
267.06516	0.6
267.09998	0.3
268.07336	0.2
269.08075	0.4
277.08606	0.4
281.08154	0.3
282.09033	0.2
289.08566	0.2
291.06491	2.1
292.07294	6.5
292.10501	0.2
293.08060	12.1
294.08493	0.9
295.09650	1.9
299.20181	0.3
305.08017	1.7
306.08542	0.2
307.09628	7.3
308.10016	0.5
309.11191	2.4
310.11780	0.2
317.21075	0.5
319.09641	0.4
321.11096	0.5
323.09143	12.7
323.12552	0.7
324.09473	0.9
335.12796	0.2
335.21933	0.4
337.10675	3.1
338.07529	0.1
338.11395	2.5
353.13809	100.0
354.14133	6.9
354.18527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47156	1.6
53.03936	3.5
55.01864	5.3
57.03430	4.3
61.02917	5.3
67.05497	3.2
68.56796	1.3
68.99765	1.7
69.03424	27.3
69.07063	85.5
70.90079	4.0
71.01347	1.9
71.04987	4.0
73.02912	4.1
75.49426	1.5
80.13383	1.6
81.03420	18.1
85.02899	80.7
86.09697	6.5
87.00819	35.8
93.07040	2.3
95.08575	1.6
97.02879	47.3
99.04465	11.0
99.19935	1.8
105.01856	100.0
109.02865	18.3
111.08068	2.6
115.03880	2.0
118.78217	1.8
121.84679	1.7
122.02702	1.6
127.03906	81.7
129.01755	1.7
131.66806	1.6
136.76656	2.0
145.04947	59.9
147.02850	2.8
149.51935	1.6
159.02864	11.5
163.03836	2.5
183.53200	1.9
189.03932	2.2
195.10127	3.4
213.03841	2.4
213.14876	2.4
231.05006	33.6
248.07645	2.2
249.06047	20.5
297.07562	5.3
325.07117	17.3
328.91769	1.8
329.50540	2.0
334.16772	5.6
347.18692	1.8
353.06534	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	353.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01859	2.2
55.05506	2.0
56.96567	2.2
57.03422	1.1
61.02929	7.3
63.64999	1.0
67.05496	3.2
68.99795	7.9
69.03424	4.6
69.07065	12.7
70.06679	5.5
71.04993	2.6
81.03403	3.8
81.07049	2.4
85.02899	13.9
87.00833	9.7
87.08109	9.4
89.03905	2.1
91.05452	5.7
93.07000	1.3
95.04965	1.6
96.02126	1.6
97.02873	5.5
98.97588	2.1
99.04450	2.8
103.05470	2.8
105.01856	5.4
105.07012	4.2
105.09123	5.0
107.04919	1.6
109.02882	4.1
109.10146	1.7
111.04438	16.4
115.05450	11.0
116.98607	3.2
117.03368	3.4
117.07063	1.4
119.04927	7.0
121.02841	1.3
122.05995	1.4
123.04446	2.1
123.11702	1.1
127.03902	4.6
127.14724	1.0
128.98532	1.4
129.01833	8.8
131.04921	4.5
131.08540	1.4
133.02850	2.5
133.06509	2.8
134.03636	1.4
135.04489	1.2
135.11612	1.5
136.07559	1.9
137.05977	2.9
138.05501	1.5
139.03886	19.8
140.04698	2.9
143.04932	5.2
143.58064	1.1
145.02832	4.7
145.04967	1.3
146.99677	1.6
147.02881	4.7
147.04395	16.3
147.08058	1.8
149.05956	4.0
151.03897	2.8
151.07545	1.7
153.05402	1.6
158.48726	1.1
159.04411	3.1
160.05240	2.0
161.05992	10.2
162.03082	6.8
163.03873	3.5
164.07065	1.9
165.05414	2.5
165.09024	1.2
167.03401	9.1
167.07054	1.2
171.04381	11.4
171.05711	1.2
175.03929	3.3
175.07542	4.6
177.05460	52.6
178.06046	1.7
179.03441	2.7
179.07007	5.0
180.98875	1.1
185.04210	3.8
188.04688	4.5
189.05479	6.5
191.03358	1.4
191.07048	4.0
192.04166	1.6
195.58450	1.1
199.03899	10.3
203.07018	28.7
204.07256	1.3
205.04942	6.3
207.06511	17.5
216.04257	1.4
217.04956	9.5
221.08067	2.4
231.06509	30.6
232.06895	1.0
237.02832	3.2
249.07574	100.0
250.07945	2.0
267.08630	2.2
275.10419	1.3
289.11829	2.4
317.11310	1.9
318.09821	1.6
319.10620	2.4
335.08755	1.4
335.12302	8.6
337.11624	1.9
353.08374	10.0
353.12238	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	353.1381
Annotation	Neorautane
Peak:m/z	Relative Intensity
53.70361	1.5
55.05501	1.9
56.96562	3.8
65.03946	2.3
66.74277	1.3
67.05489	4.4
68.99789	2.5
69.07053	3.9
69.79675	10.1
72.31406	1.4
79.05496	3.8
80.59559	1.3
81.07066	7.8
83.01332	4.8
91.05455	2.0
93.07033	5.4
94.23738	1.7
95.08579	4.4
105.07012	3.9
107.04957	4.7
107.08593	3.6
109.06518	1.6
109.10144	2.4
119.08603	3.2
121.02850	5.1
121.10101	4.6
123.04323	1.5
123.11620	1.7
131.08504	2.3
133.10100	3.1
135.11734	1.8
143.08571	2.1
145.10139	3.8
147.04405	3.0
149.02335	49.9
149.03493	3.5
149.06035	3.1
150.02621	2.2
152.06189	1.5
157.10132	2.2
161.05925	2.1
161.13306	1.6
163.03877	1.9
167.00221	1.4
167.08496	1.9
175.03909	2.0
191.10770	1.7
193.04982	3.8
195.08006	2.8
197.06172	2.0
197.13293	1.6
198.06808	3.7
199.07526	3.4
209.05956	1.7
210.06964	1.6
213.09082	21.1
215.14177	1.6
219.10280	1.6
223.07539	5.1
226.06325	3.6
227.06992	3.2
241.08621	4.2
242.64639	1.9
251.07021	4.6
251.73416	1.6
253.04936	1.8
253.08682	2.6
254.05656	3.7
261.22125	2.8
269.08057	88.0
270.08417	5.9
279.06384	1.9
282.05215	6.2
285.07568	2.8
295.06015	4.9
297.07547	100.0
298.08008	8.5
323.08994	9.6
337.10629	3.2
338.11514	2.2
353.13821	57.4
353.25244	3.0
354.14090	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	352.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01868	1.3
55.05492	1.1
55.11024	0.9
55.89769	0.9
56.05029	1.8
56.96556	2.5
57.03416	2.9
57.05807	7.3
58.06602	1.3
59.05000	1.0
60.04525	6.4
61.02924	1.7
67.05486	1.5
68.05040	1.1
69.03427	9.4
69.07059	2.8
70.06592	7.8
71.03712	1.6
71.04968	2.0
71.60596	2.0
72.04510	2.1
72.08140	1.1
73.02907	3.3
73.05283	6.2
81.03406	3.3
81.07071	1.7
82.06576	8.2
83.06115	0.9
84.04493	2.1
84.08125	3.8
85.02897	14.4
85.05273	6.9
86.03208	1.0
86.06069	4.8
86.09687	2.5
87.04458	2.3
88.07648	1.1
91.03931	1.4
95.04955	1.4
95.88851	1.1
97.02905	7.4
98.06046	6.5
98.97572	2.8
99.04454	1.7
99.06827	2.5
100.03983	1.0
100.07604	6.4
109.02873	2.7
110.06039	10.0
111.04408	1.8
111.06808	1.9
112.07600	3.0
113.06038	1.4
116.03441	3.9
116.07067	3.6
116.98582	2.1
117.04230	2.9
119.07296	1.0
119.36761	1.0
124.07536	1.4
126.05482	1.4
126.12781	6.0
127.03922	4.1
128.07071	50.8
128.98589	1.0
129.07878	6.1
134.99637	1.3
135.20592	0.9
137.05948	1.6
138.05482	4.5
139.06287	5.0
140.06091	1.2
140.07028	6.9
144.06525	7.2
144.13829	20.8
145.04936	2.8
146.03352	1.3
146.99690	1.7
147.04407	1.4
155.07045	2.3
156.06482	1.5
157.07341	1.2
158.08092	3.5
162.05495	1.9
172.06023	7.3
172.09680	3.1
172.13304	3.3
173.08112	1.6
174.07614	1.2
177.05437	1.4
189.05606	1.2
190.07091	100.0
190.14359	37.0
191.03554	1.2
191.07510	1.5
201.00706	1.6
217.04840	1.1
219.01826	1.5
227.06877	1.0
237.02791	3.3
308.06631	1.3
335.12308	1.3
352.15616	1.3
352.19443	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	352.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25053	0.6
55.05501	2.0
57.03426	0.9
61.02920	1.4
62.05362	0.6
65.03928	0.7
67.05499	14.1
69.03414	2.1
69.07058	1.7
70.00066	3.0
70.06606	0.7
70.61272	0.6
71.04990	4.3
79.74154	0.6
81.03403	0.8
81.07034	0.8
84.08087	0.7
85.02896	7.3
85.06539	18.0
91.03924	0.9
91.05475	0.8
93.07034	1.1
95.04958	33.8
95.08571	0.6
96.05302	0.6
97.02888	2.3
99.08089	1.2
104.05694	0.6
105.07050	0.6
109.02877	1.4
109.10149	0.8
113.06015	4.6
121.02855	1.5
121.10113	0.6
127.03900	1.4
127.07549	15.3
130.77275	0.5
134.06937	0.6
137.05927	1.5
141.05449	31.8
145.02863	0.9
145.04944	1.5
145.10210	0.9
152.00827	0.6
153.12708	0.8
155.07016	100.0
155.10576	1.7
156.07355	1.8
159.06538	3.2
167.07065	1.1
173.08083	50.1
174.08443	1.1
180.08640	2.1
182.08147	2.0
283.06018	1.1
284.06223	0.8
292.93518	0.7
293.08157	0.9
297.07608	0.7
306.08057	0.7
307.05963	0.9
307.09406	0.7
323.08704	0.6
324.09436	8.7
325.06937	1.5
325.10471	1.3
352.08755	11.1
352.12689	1.1
353.06509	2.2
353.10156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03933	3.5
55.01856	3.7
55.05256	1.9
55.05508	26.8
56.68893	1.2
56.83445	1.1
57.03437	35.5
57.07050	3.5
57.25994	1.1
59.00814	1.1
65.03922	2.6
67.05502	61.9
69.03413	1.3
69.07063	23.8
69.53901	6.2
69.54306	3.3
69.58597	1.2
71.04977	3.2
79.05489	55.3
81.07054	71.4
83.04954	4.3
83.08614	16.1
85.06527	8.1
91.05478	46.5
92.05815	1.9
93.07040	78.9
95.04970	7.7
95.08604	58.8
95.09222	2.8
97.06516	7.0
97.10149	4.8
98.20755	2.7
99.08086	4.6
105.07024	45.3
107.08591	47.0
109.06507	4.0
109.10155	23.5
111.08080	3.2
113.06016	1.5
113.09619	1.7
117.07008	9.9
119.08578	40.6
121.06528	1.5
121.09302	2.6
121.10137	39.3
123.08076	4.0
123.11688	9.2
125.09557	2.8
128.06216	1.6
129.07002	7.6
131.08565	17.7
133.10133	36.8
135.08044	2.4
135.11685	35.6
137.09627	3.5
137.13211	1.9
139.11168	1.8
143.08611	8.5
145.10121	20.0
147.11685	36.1
149.09618	1.9
149.13254	22.0
151.11148	2.9
157.10127	5.2
159.11691	16.2
161.13251	19.5
163.11168	4.9
163.14789	6.9
165.12723	3.7
171.11682	11.1
173.13289	11.5
175.07713	1.2
175.11118	1.8
175.14812	13.3
177.12747	3.5
177.16353	3.0
185.13268	12.9
187.14809	9.7
193.15962	1.5
199.14812	7.4
201.16388	1.5
203.14322	2.4
203.17914	1.7
205.15843	5.5
213.16386	3.3
215.17929	1.6
217.19579	2.2
221.19000	2.9
231.17529	1.9
231.21031	4.2
241.19499	23.5
259.20566	57.8
260.20819	3.8
277.21622	19.4
333.24179	10.0
351.25290	100.0
352.25653	5.4
367.92807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01857	2.2
55.05504	14.9
57.03436	7.8
57.07064	4.1
60.70958	1.7
65.08920	1.6
67.05500	45.7
69.07063	16.3
69.67638	9.2
69.68063	3.4
71.04981	2.5
75.04450	3.2
79.05488	52.9
81.03432	1.6
81.07054	46.7
83.08603	8.6
85.06531	3.6
88.98776	1.5
91.05476	50.8
93.07041	82.9
95.04967	7.7
95.08599	36.1
97.06537	3.9
97.10165	3.6
98.21563	1.9
99.08076	4.6
103.05492	1.7
105.07019	61.2
107.04936	2.0
107.08591	43.1
109.02932	1.8
109.06509	2.5
109.10153	17.5
113.09600	2.8
117.07037	12.5
119.08569	53.1
121.06545	2.0
121.10136	38.3
123.11689	4.5
128.06206	1.9
129.07011	8.1
130.67751	1.6
131.08565	20.7
133.03539	1.9
133.10123	49.8
135.08076	3.9
135.11688	39.1
137.09549	1.7
143.08542	10.6
145.10114	23.6
147.11679	51.6
149.09598	3.9
149.13249	22.8
151.11154	1.8
155.08589	1.9
157.10097	11.5
159.11700	19.7
161.13239	31.8
163.11177	3.7
163.14804	10.1
171.11664	14.2
173.13223	12.2
175.11150	2.2
175.14804	16.7
177.12729	4.0
185.13257	11.0
187.14752	3.2
189.12807	2.8
199.14838	7.7
203.14349	3.3
213.16379	4.7
213.34602	1.6
216.07161	1.7
217.15877	2.1
217.19583	2.9
224.16969	1.6
231.17451	2.3
231.21010	9.1
241.19495	33.4
242.20027	1.7
259.20554	100.0
260.20999	5.8
261.22018	1.9
277.21609	7.1
283.05896	3.6
309.07675	2.4
321.07553	3.7
333.24149	4.2
351.12399	19.9
351.25278	83.4
352.12531	4.0
352.25711	4.1
355.42862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
53.98220	2.4
55.01868	5.5
55.05511	34.2
57.03440	28.5
57.07054	5.1
65.03934	4.1
67.05501	85.5
69.03392	4.5
69.06763	2.7
69.07064	28.1
70.83863	6.9
70.84219	3.3
71.04984	6.6
71.08630	37.3
79.05062	3.9
79.05492	60.0
79.05951	3.3
81.03395	4.8
81.07054	94.4
81.16255	2.9
83.04982	11.6
83.08611	20.3
84.35575	2.4
85.02897	4.1
85.06543	4.4
91.03877	2.4
91.05479	51.5
93.07040	94.9
93.07625	5.5
95.04990	15.0
95.08604	57.6
97.02869	3.7
97.06516	13.9
97.10143	9.3
99.08084	27.6
103.46635	2.8
105.07019	40.7
107.04922	5.6
107.08580	52.1
109.06527	6.0
109.10147	32.6
111.08051	5.1
113.09629	3.8
117.07037	12.1
119.08573	38.5
120.02370	2.6
121.10143	44.3
123.08047	3.9
123.11692	10.5
125.09611	4.9
129.06990	7.9
131.08562	15.6
133.03453	7.3
133.10114	32.9
135.08043	3.0
135.11684	48.9
137.09628	5.1
139.11137	2.8
143.08536	8.5
145.10123	14.5
147.11690	25.1
149.09592	2.7
149.13278	19.5
151.04492	4.4
151.11172	15.2
153.12726	2.6
157.10202	6.2
159.11684	13.7
161.09654	2.6
161.13226	22.2
163.11121	6.1
163.14801	5.2
165.12691	4.3
171.11700	6.0
173.11842	2.7
173.13251	11.1
175.04601	3.0
175.14796	10.1
177.12709	4.5
179.14302	70.6
185.13191	8.8
187.14838	5.0
189.12709	4.4
199.14804	5.5
202.87917	2.3
217.19522	3.9
231.17365	4.0
231.21109	4.6
235.16920	4.6
241.19469	14.5
259.20566	40.8
270.15750	6.2
277.21597	42.1
333.24216	3.6
339.23477	3.0
351.18591	4.6
351.25266	100.0
352.25278	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11835	1.5
53.03934	4.0
55.01857	2.0
55.05293	1.6
55.05503	17.7
56.96571	1.6
57.03433	8.7
57.07061	3.5
67.05164	2.9
67.05498	38.8
69.06770	1.5
69.07069	15.9
70.21312	2.7
70.21707	3.8
71.04967	3.6
71.08605	2.1
73.02884	1.6
75.04477	2.7
75.08724	1.6
79.05488	60.3
81.07053	53.2
83.04948	3.6
83.08604	8.0
85.06535	3.7
91.05475	43.5
93.07037	91.3
95.04949	6.0
95.08043	2.8
95.08604	37.7
97.06506	4.4
97.10162	2.3
99.08068	2.5
105.07021	52.9
107.08591	54.5
108.08916	1.8
109.06511	3.9
109.10162	11.9
117.07024	8.4
119.08574	49.6
121.10137	44.4
123.08121	2.4
123.11668	3.5
129.07013	9.0
131.08560	16.8
133.10132	42.7
135.11685	38.9
143.08524	8.2
145.10112	23.3
147.11664	41.5
149.09608	2.5
149.13260	22.5
150.13535	1.8
152.41451	1.6
157.10126	9.0
159.11678	17.1
161.09569	2.3
161.13254	29.3
163.11241	3.0
163.14795	10.4
166.83093	1.7
171.11682	12.3
173.13225	11.6
175.14813	16.8
177.12729	2.7
185.13277	13.1
187.14841	4.6
189.12730	3.6
199.14804	6.9
213.16481	3.2
215.17995	2.5
217.19534	3.5
224.71533	1.8
231.17480	2.7
231.21129	6.6
241.19489	34.1
241.21718	3.0
259.20554	100.0
260.20990	2.5
277.21585	14.9
317.63104	1.9
333.24307	12.9
351.25290	86.6
352.25638	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01852	1.8
55.05508	13.9
57.03433	7.5
57.07072	2.6
63.17110	1.3
65.03938	1.8
67.05499	44.1
69.07060	17.4
70.04121	7.9
71.04980	3.0
75.04510	1.3
79.05486	60.6
81.07053	49.5
83.04978	1.9
83.08582	7.3
83.25256	1.3
85.06515	2.9
91.04897	1.5
91.05469	40.1
93.07035	89.5
95.04964	5.5
95.08601	37.8
97.06535	4.5
97.10163	3.2
98.21500	1.7
99.08082	2.3
100.70481	1.4
103.30560	1.4
105.07018	48.6
107.08590	53.4
109.06508	2.5
109.10151	17.1
111.08076	1.5
113.09647	2.1
117.07003	10.8
119.08575	44.3
121.10131	42.9
121.11009	2.0
123.08107	2.9
123.11701	4.9
125.09592	2.8
129.05441	1.6
129.06987	5.2
131.08556	23.3
133.10117	46.7
135.08029	2.4
135.11679	46.1
137.09599	2.3
141.28645	1.5
143.08577	9.9
143.09503	1.6
145.10120	24.2
147.11687	42.3
149.09575	5.3
149.13246	23.3
151.11211	2.6
157.10143	7.2
159.11688	19.2
161.13255	28.4
163.11195	3.5
163.14818	8.4
165.12746	2.2
171.11684	15.3
173.13255	8.5
175.14836	14.6
175.88034	1.3
177.12749	2.5
185.13229	13.3
187.14766	3.5
189.12741	3.6
199.14822	7.1
201.16423	2.8
213.16290	4.1
217.15953	2.0
217.19511	3.2
231.17361	3.7
231.21143	8.7
241.19507	36.4
243.62253	1.7
259.20554	100.0
260.20850	3.4
277.21652	16.8
333.24210	14.6
351.12341	7.0
351.25299	92.1
352.25647	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.05507	16.4
57.03436	7.9
57.07056	4.7
58.34496	1.6
61.26387	1.5
64.21853	1.4
65.03907	1.9
67.05499	37.5
68.70404	1.6
69.07062	16.6
70.86663	6.2
71.04964	3.3
71.08616	2.3
72.04049	1.8
79.05489	61.5
81.07054	51.3
83.08598	6.8
85.06535	4.4
89.06017	5.9
91.05475	44.5
93.07037	86.3
95.04950	6.8
95.08600	34.9
97.06543	2.8
97.10170	3.4
99.08064	3.3
105.07018	51.0
107.07863	3.1
107.08585	52.1
109.06516	3.3
109.10136	15.7
117.06993	9.4
119.07790	2.9
119.08578	43.4
121.10128	40.5
123.08068	1.8
123.11691	2.1
129.06969	9.2
131.08551	16.9
133.08582	3.1
133.10117	47.9
135.11679	42.9
137.09583	2.0
143.08537	9.7
145.10112	19.4
147.11665	45.4
149.13239	25.3
151.11140	2.1
157.10100	8.0
159.11661	19.9
161.13237	38.4
163.11185	2.7
163.14795	8.7
171.11655	12.6
173.13196	9.0
175.11005	2.0
175.14809	14.9
177.12759	3.5
185.13255	15.7
186.42693	1.6
187.14771	3.5
189.12703	3.7
199.14844	8.8
199.33931	1.6
201.16350	1.7
203.14278	2.8
211.60152	1.7
213.16406	4.9
217.15707	2.7
217.19470	1.5
231.17429	3.7
231.21060	6.9
234.57616	1.8
241.19489	37.8
242.19861	2.5
259.20551	100.0
260.20972	4.9
261.22141	1.8
277.21603	15.3
333.24225	12.3
334.24710	2.1
351.25269	93.7
352.25549	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01862	3.6
55.05256	1.9
55.05507	19.5
57.03431	9.4
57.07060	4.5
62.48491	1.2
65.03899	1.4
67.05502	45.1
69.03423	1.4
69.07065	15.7
70.21482	6.0
71.04989	3.7
75.04471	1.8
75.64874	1.5
77.03934	2.1
78.39260	1.2
79.05489	62.6
81.07053	53.7
83.05000	1.9
83.08606	8.1
85.06524	4.5
91.05471	49.6
93.07038	86.1
94.07381	1.7
95.04966	8.4
95.08602	40.7
97.06506	3.6
97.10155	3.7
98.20719	1.6
99.08064	5.1
105.07025	51.9
107.08595	51.1
109.06521	3.4
109.10133	15.7
111.04433	1.5
111.08058	2.0
113.09695	1.6
115.05483	2.2
117.07009	13.0
119.08574	46.9
121.06551	1.4
121.10136	43.4
123.08031	2.1
123.11696	5.4
128.06232	1.9
129.06964	8.2
131.08563	21.5
133.10121	47.0
135.08022	2.1
135.10663	2.7
135.11682	39.8
137.05965	8.1
137.09576	2.7
139.11090	1.8
142.07735	1.6
143.08568	11.2
145.10109	22.2
147.08025	2.6
147.11681	49.0
149.09616	2.9
149.12160	2.5
149.13255	28.3
151.11121	2.2
157.10100	10.1
159.11691	16.2
161.09625	2.6
161.13248	36.9
163.11177	4.4
163.14832	8.5
171.11678	16.0
173.13258	11.8
175.11209	4.4
175.14836	18.0
177.12695	3.9
177.16418	2.5
185.13272	15.6
187.14796	4.2
189.12709	3.4
199.14769	9.9
203.14308	2.9
207.13721	1.7
213.16379	6.8
215.17879	3.3
217.15982	2.0
217.19417	7.1
221.15382	2.0
231.17439	2.9
231.21042	10.4
241.19502	40.9
249.18335	1.6
256.18738	1.3
259.20569	100.0
260.20898	3.8
261.22034	1.6
266.18442	1.5
277.18118	3.9
277.21622	17.2
295.19180	1.7
333.24225	10.9
349.05185	1.5
351.25272	99.6
352.25592	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01864	2.8
55.05503	15.3
56.96562	2.4
57.03424	5.1
57.07053	3.3
65.01688	1.6
65.03915	2.3
67.05499	45.3
69.03415	2.6
69.07064	15.6
69.41334	8.5
69.41758	6.2
71.04987	3.4
75.04478	1.8
79.05490	55.1
81.07051	49.4
82.07420	2.4
83.04964	4.8
83.08600	9.3
85.02899	1.7
85.06524	3.8
91.05475	58.7
93.07040	70.4
94.07399	2.1
95.04942	6.5
95.08602	32.7
97.06506	3.7
97.10181	2.8
98.97567	2.2
99.08092	6.2
105.07027	58.5
107.04974	2.7
107.08591	45.5
109.06510	3.1
109.10134	13.3
111.08095	1.8
113.09637	2.5
115.05450	1.7
117.07008	13.0
119.08580	57.2
119.09438	2.7
121.10135	34.9
123.08070	2.5
123.11682	5.6
128.06229	1.9
129.06987	11.1
131.08572	23.2
131.22968	1.6
133.10124	49.4
134.10495	2.0
135.08076	2.3
135.11682	32.3
143.08557	9.4
145.10107	22.9
147.08046	2.2
147.11678	44.4
148.12012	1.7
149.09589	3.7
149.13275	23.4
151.11163	2.2
157.10107	10.3
159.11699	20.3
161.09593	2.4
161.13254	37.8
163.11168	2.8
163.14836	6.0
171.11700	15.7
173.13254	13.3
175.11159	2.7
175.14819	21.0
177.12723	3.7
185.13251	17.7
187.14758	1.6
189.12714	2.3
189.16365	2.3
199.14825	9.2
203.14287	2.4
213.16313	3.2
215.17828	1.9
217.19534	4.2
231.17503	3.9
231.20982	11.4
241.19496	34.1
259.20554	100.0
260.20892	5.4
277.21634	4.8
323.59009	1.8
333.16956	2.4
333.24182	3.1
351.12244	3.9
351.25290	79.1
352.25574	3.5
362.80603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01860	2.4
55.05513	16.2
57.03437	39.9
57.07064	3.9
59.04975	2.2
59.21494	1.8
60.30766	1.6
62.10108	1.9
65.03914	3.6
67.05501	47.6
69.07068	19.0
69.42736	4.0
69.43153	11.6
71.04974	4.1
73.22229	1.5
79.05490	48.6
81.07055	59.3
83.04944	4.8
83.08617	13.2
83.40874	1.7
85.06519	5.9
91.04955	2.8
91.05478	33.7
93.07040	68.5
95.04950	7.2
95.08604	48.5
97.06515	4.5
97.10149	5.1
99.08072	4.7
105.03367	2.7
105.07025	39.1
107.08594	47.4
109.06484	4.5
109.10162	16.1
111.08068	5.0
113.09647	2.9
117.06996	8.7
119.08575	35.0
121.10139	34.2
123.08043	4.5
123.11683	6.8
125.09608	4.3
129.07036	2.9
131.08556	15.9
133.10129	28.4
135.08051	2.7
135.10683	2.3
135.11682	33.1
137.09673	4.1
137.13286	2.3
143.08551	5.7
143.87315	1.6
144.66206	1.7
145.10123	17.7
147.11670	26.6
149.02315	3.0
149.09624	2.5
149.13252	15.0
151.11157	2.9
157.10107	5.2
159.11691	13.9
161.13260	17.9
163.11203	3.5
163.14815	4.4
165.12752	2.5
171.11664	6.1
173.13223	8.4
175.14792	7.7
177.12741	2.0
179.14394	1.9
185.13248	6.7
187.14784	11.6
191.14418	2.2
199.14803	4.5
205.15939	7.7
207.13776	1.9
213.16310	3.8
219.17175	1.7
221.18988	4.3
231.21065	3.4
241.19502	17.8
259.20581	43.0
268.91733	1.6
277.21591	25.8
333.24115	6.9
351.25247	100.0
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
53.03937	2.2
55.01868	7.7
55.05506	17.4
55.53988	1.2
57.03441	8.3
57.07077	4.4
65.03931	2.4
67.05500	46.9
69.03439	1.8
69.07059	18.0
69.82823	8.5
71.04984	2.7
71.08641	1.8
75.04475	1.5
79.05489	59.1
81.03423	1.3
81.07052	76.3
83.04979	3.9
83.08618	11.6
85.02913	1.4
85.06548	4.3
91.04896	1.5
91.05476	51.0
93.07037	91.6
95.04962	6.4
95.08604	45.5
95.09220	2.0
97.02863	1.3
97.06516	4.1
97.10157	2.9
99.08100	4.9
103.05520	1.4
105.04537	1.6
105.07026	55.2
107.04977	1.7
107.08588	55.7
109.06512	13.1
109.10161	15.3
111.04428	13.5
111.08080	3.7
113.09669	1.9
117.06998	13.2
119.08576	49.3
121.06492	1.9
121.10138	46.5
123.08073	3.7
123.11719	7.0
125.06011	2.9
127.11084	1.3
129.05479	2.3
129.07011	7.7
131.08566	21.1
133.10126	48.8
135.08072	3.0
135.11682	46.9
136.12042	1.5
137.05968	95.9
137.09608	3.6
137.13269	2.7
138.06348	2.5
142.07816	2.4
143.08543	11.2
145.10106	22.8
147.08078	3.2
147.11679	55.6
148.11937	1.6
149.09618	6.6
149.13261	27.0
151.07506	2.8
151.11224	2.0
157.10089	9.1
159.11682	21.9
161.09613	6.6
161.13245	40.3
163.11183	4.9
163.14827	9.2
165.09100	2.8
165.12727	3.3
167.10690	2.5
171.11696	13.3
173.13235	10.5
175.11205	6.2
175.14816	18.9
177.12750	3.9
177.16356	1.8
179.10696	3.2
181.12283	1.8
185.13220	13.9
187.14850	3.7
189.12749	4.6
189.16402	2.0
193.12247	1.7
199.14767	7.2
201.16388	2.1
203.14308	2.8
203.17912	7.5
204.04668	2.9
213.16327	6.3
215.17979	1.7
217.15816	2.1
217.19556	3.4
231.17470	11.0
231.21059	9.4
235.16997	1.5
241.19514	32.2
249.18466	9.0
259.20566	100.0
260.20926	2.1
261.22165	1.9
277.17996	34.5
277.21613	18.6
293.82529	1.2
295.19009	13.6
304.96954	1.1
333.09390	1.5
333.24258	12.1
342.14636	1.6
351.08505	2.3
351.21460	17.0
351.25305	86.8
352.12924	1.4
352.25656	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18194	1.4
53.03934	3.9
55.05307	1.5
55.05510	16.7
56.08439	1.2
57.03437	12.2
57.07059	4.0
62.46874	1.3
65.03929	3.3
67.05503	46.4
69.07066	18.8
69.91311	4.2
69.91704	2.7
71.04962	1.9
71.08623	2.5
79.05492	65.7
79.43579	1.3
81.07054	60.7
83.04982	4.0
83.08600	7.5
85.06534	6.2
91.05479	56.3
93.07043	92.7
95.04944	8.8
95.08604	39.8
97.06519	3.2
97.10174	2.8
98.21414	1.8
99.08080	4.7
103.05435	1.6
105.04488	1.6
105.07024	57.0
107.08589	56.8
109.06497	2.6
109.10152	13.9
115.05400	2.0
117.07022	13.7
119.08578	53.2
121.10144	42.9
122.10444	2.2
123.08031	3.0
123.11691	3.6
129.06996	8.1
130.15085	1.5
131.08565	18.2
133.10129	41.8
135.11697	43.5
137.09601	2.1
143.08562	8.8
145.10110	23.9
147.06551	1.4
147.08046	2.8
147.11687	47.0
149.09602	3.9
149.13271	25.0
151.11174	1.4
153.70007	1.4
157.10117	8.0
159.11690	19.5
161.13255	38.3
162.13451	1.9
163.11163	4.5
163.14836	10.2
166.26810	1.6
171.11668	15.3
173.13239	13.2
175.11180	3.1
175.14832	18.0
177.12724	3.8
177.16292	1.8
185.13196	11.7
187.14795	4.4
189.12724	3.6
189.16406	2.5
199.14859	9.3
201.16423	1.7
203.14320	2.9
213.16376	6.4
215.17821	2.1
217.15805	1.5
217.19542	5.7
231.17421	3.6
231.21049	8.9
241.19514	41.9
245.65886	1.4
259.20563	100.0
260.20868	3.7
277.21613	17.7
333.24200	8.8
351.25293	94.3
352.25632	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05508	19.1
56.96552	4.6
57.03415	5.6
57.07058	3.7
67.05169	3.7
67.05502	42.3
69.07057	18.8
71.04981	3.0
71.08621	4.5
71.58414	3.5
77.77390	2.1
79.05056	4.2
79.05485	56.3
80.52501	2.1
81.07050	52.5
83.04940	3.6
83.08614	6.7
85.06528	6.3
90.92838	2.2
91.05475	57.1
93.07039	68.3
95.04946	7.1
95.08608	39.6
95.43718	2.2
97.06512	4.9
97.10175	3.1
98.97514	3.1
99.08071	5.0
105.07021	64.9
107.08586	39.0
109.06494	3.8
109.10157	14.9
117.06989	10.8
119.08568	57.2
121.10143	37.8
123.08081	3.2
123.11680	2.9
125.09647	2.2
128.06223	2.6
129.06995	10.2
131.08560	25.6
133.10124	49.2
135.11682	37.1
143.08536	12.6
145.10091	26.0
147.11674	47.2
149.09633	3.6
149.13235	23.5
157.10091	11.1
159.11678	21.6
161.09656	2.5
161.13245	38.4
163.14818	9.8
171.11671	16.8
173.13278	11.5
175.14824	19.7
177.12640	2.7
185.13258	15.0
187.14851	6.0
189.12747	4.1
195.11684	2.4
199.14789	9.0
203.14264	4.7
213.16359	4.9
217.19415	5.9
231.17384	2.5
231.21059	7.1
241.19505	34.8
259.20560	100.0
260.20911	4.9
277.21613	7.4
309.67526	2.3
333.24237	6.6
351.25284	87.5
352.25616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45614	3.5
53.97964	3.3
55.05500	14.0
56.96555	4.5
57.03434	38.6
57.07067	7.7
67.05508	45.5
69.07072	20.7
70.11718	6.9
70.12076	18.5
71.04969	7.0
72.08136	4.1
79.05495	44.0
81.07053	62.4
83.04953	5.1
83.08603	13.5
91.05475	29.6
93.07036	67.1
95.04969	9.5
95.08607	45.9
97.02929	4.5
98.97585	4.0
99.08080	5.5
105.07026	39.1
107.08588	44.8
108.95427	3.6
109.06557	4.9
109.10160	19.4
110.37975	3.8
111.08143	4.5
117.07001	11.4
119.08566	36.7
121.10143	39.5
123.08054	5.2
123.11736	6.8
125.09632	5.6
129.07007	7.1
131.08551	20.4
133.10109	28.6
134.99605	4.9
135.08081	4.2
135.11694	28.5
137.05994	9.1
143.08542	7.3
145.10153	19.3
147.11705	32.5
149.09575	5.3
149.13234	15.9
157.10181	8.3
159.11703	15.0
161.13245	24.5
163.14839	4.6
171.11702	9.0
173.13255	10.3
175.14861	10.2
185.13264	12.6
187.14804	15.1
199.14824	5.7
205.15875	5.2
215.25417	3.8
221.18855	4.1
231.17586	4.4
231.20889	4.3
241.19499	17.2
259.16895	14.3
259.20572	35.8
277.18887	3.8
277.21497	24.5
333.24393	6.3
351.08380	5.6
351.25293	100.0
362.74149	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.60469	0.5
53.03922	0.5
55.01868	0.6
55.05494	1.1
56.96556	0.7
58.65733	0.4
60.19363	0.5
67.05495	2.1
69.07079	0.9
70.76550	1.8
71.04984	0.9
72.08150	0.6
72.63043	0.5
77.00862	0.6
79.05493	1.7
81.03419	0.8
81.07064	2.8
86.22534	0.4
91.05471	1.1
93.07033	2.3
95.04995	0.8
95.08601	2.5
105.07030	1.9
107.08601	1.8
109.02959	0.7
109.10168	0.9
114.46597	0.4
119.08584	1.7
121.10142	1.7
121.30278	0.5
123.04404	0.6
132.83025	0.5
133.10161	1.6
135.11739	0.9
137.05913	1.1
145.10124	1.4
147.11685	1.2
149.09528	0.7
149.13310	0.7
151.11101	0.5
157.10104	1.0
159.11737	1.0
161.13235	0.8
173.13208	0.5
175.11148	0.8
175.14816	0.8
197.10303	0.6
207.06467	0.7
215.11304	0.7
241.19388	0.8
245.15332	0.7
259.20575	2.1
282.96518	0.5
333.20206	2.0
348.00537	0.6
351.12750	3.0
351.21402	100.0
352.21597	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.1
56.96552	1.4
57.03427	1.1
66.61316	0.8
67.05486	3.1
68.86497	0.9
69.03420	1.8
69.07043	1.2
69.38379	9.2
75.88013	0.9
76.37370	0.8
79.05487	2.0
81.03398	1.2
81.07045	5.0
83.08580	1.0
85.02892	2.1
91.05479	1.8
93.07028	4.0
95.04955	1.8
95.08591	3.3
97.02912	1.2
105.07020	2.8
107.08578	3.9
109.06464	1.2
109.10130	1.4
115.92637	1.0
119.08593	2.0
121.10139	2.1
123.08074	0.9
123.11711	0.9
124.01196	0.9
133.10114	1.4
137.05937	1.4
147.04419	1.5
147.11658	1.1
153.56543	1.2
155.08418	1.0
157.10086	1.5
171.08044	1.2
175.14798	1.0
180.68466	0.9
183.11768	1.1
217.04974	2.5
259.11945	1.1
281.08228	1.0
297.07504	3.1
309.07315	1.5
321.07547	4.2
322.08508	1.2
333.11050	1.4
333.20248	0.9
335.09021	1.4
336.09778	3.2
351.08698	2.6
351.12350	33.1
351.21390	100.0
351.29352	3.2
352.12546	4.0
352.21692	2.7
369.21616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05502	1.0
56.96291	1.1
56.96560	22.1
57.03416	3.1
59.06124	1.2
59.12482	0.7
61.02913	2.6
66.72680	0.6
67.05513	1.0
69.03429	5.4
70.26976	2.9
71.04993	1.1
71.95265	0.8
73.02927	4.0
73.03240	0.7
73.51720	0.8
74.97580	0.9
77.93849	0.8
79.05493	0.8
81.03441	1.9
81.07070	1.5
84.08115	1.5
84.96025	5.5
85.02898	10.1
86.03226	1.2
87.04459	1.3
91.05464	1.0
97.02898	6.3
98.97574	100.0
99.04436	2.1
99.97912	1.0
109.02879	1.1
110.06016	0.9
110.97547	7.1
112.99115	1.4
116.98611	80.8
117.03353	1.0
127.03891	2.7
128.98590	16.5
129.02205	0.8
130.08649	1.2
131.00151	3.1
134.99646	40.6
136.07549	0.9
137.05962	2.1
140.00194	3.4
143.00169	2.7
144.98117	1.2
145.01695	1.9
145.02757	1.1
145.04958	1.2
146.99641	14.7
147.03253	3.6
147.04311	1.5
149.01273	3.6
151.99913	0.9
152.98593	2.1
153.00708	2.6
158.01237	2.5
158.99643	37.8
161.01201	7.5
161.83167	0.7
162.05469	2.7
162.99094	2.7
163.02750	3.2
164.05190	1.2
165.00696	2.0
165.04338	3.6
170.05280	0.9
170.08011	1.0
170.99631	6.1
171.03264	3.4
173.01230	1.1
174.99117	1.8
175.02794	2.0
177.00696	65.2
177.05498	1.9
178.01071	1.2
183.05438	1.5
187.02643	0.8
188.09227	0.9
189.00740	7.6
189.02560	1.7
189.04321	15.0
189.09486	1.3
190.04897	4.1
190.10670	2.1
191.02240	1.2
193.00185	2.6
195.01715	5.4
198.04805	1.2
200.02264	4.6
201.00659	3.2
201.04274	1.5
205.03714	1.2
205.05435	1.0
207.01741	1.6
207.05408	5.1
217.05562	1.4
219.01733	18.1
219.05302	1.6
226.05986	1.8
231.03409	1.4
231.05380	2.8
237.02800	40.5
238.03137	0.9
242.03499	1.0
249.06377	1.3
255.03790	4.5
260.04462	2.0
269.05420	1.4
279.03784	1.1
291.04105	1.1
291.07446	32.7
309.08533	99.6
310.08923	4.0
332.10092	7.5
333.10529	1.2
334.55768	0.9
351.09616	61.7
352.09930	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
69.03434	0.9
69.07029	0.5
70.85349	1.4
81.03424	0.5
81.07054	0.5
83.04981	0.4
85.02890	1.0
86.09707	0.7
91.28162	0.4
93.07053	1.0
97.02863	0.5
107.08599	0.9
109.10142	0.6
120.08117	0.7
122.06060	0.6
135.11633	0.6
137.06013	0.6
153.12683	0.6
162.05475	0.5
169.52142	0.5
171.13786	0.8
175.08722	0.8
198.61287	0.4
199.08652	1.9
200.09476	5.6
201.10249	7.6
202.10864	0.9
212.09328	0.8
213.10254	7.5
214.11011	4.8
215.11790	18.8
216.10245	0.5
216.12373	1.6
217.09778	1.1
219.11259	8.9
220.00525	0.5
226.08664	0.5
226.11050	1.3
227.08076	0.7
227.11691	0.9
228.08917	1.0
228.12646	2.3
231.11292	2.7
233.12772	0.6
241.09668	2.6
241.13301	4.4
242.10498	10.3
243.11195	3.3
245.09427	1.0
247.11613	2.1
254.10478	1.0
255.11256	1.4
256.12021	2.8
259.10861	3.4
260.11554	4.2
261.12198	1.5
269.12845	5.7
271.14386	0.9
272.11517	0.5
272.78598	0.4
273.09540	0.8
274.13187	1.1
277.11816	2.7
282.10046	0.8
287.13806	2.7
288.14490	0.6
289.15543	0.6
291.10699	1.1
297.12335	6.6
300.11008	3.4
315.09976	1.1
315.13361	20.1
316.13754	1.6
333.11053	1.1
333.14444	20.5
334.14645	1.2
351.15521	100.0
352.15869	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	350.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05505	14.5
57.03422	3.3
57.07067	2.3
58.99588	5.8
65.03931	1.4
67.05499	25.7
69.03408	1.6
69.07061	20.1
69.31470	13.4
70.06584	3.6
71.04988	9.4
73.06550	1.4
76.02223	6.6
76.18098	1.1
79.05491	14.7
81.07050	73.3
82.07369	1.2
83.04984	5.6
83.08614	14.7
85.06546	15.5
86.82982	1.0
86.99049	4.9
88.04005	2.7
88.07624	1.9
91.05475	19.9
93.07040	17.5
95.04962	2.5
95.08598	95.1
97.06516	23.6
97.10165	4.9
98.20687	2.0
99.08084	11.4
101.06011	1.2
105.00095	6.2
105.07021	25.4
106.07372	1.3
107.08573	11.8
109.06495	3.4
109.10152	9.0
111.08068	7.4
111.53775	1.0
113.09626	4.3
115.07558	2.2
119.08570	38.1
121.10155	12.0
122.02718	10.6
122.90255	1.2
123.08056	8.3
127.69879	1.1
129.09102	2.7
131.08545	1.2
133.10114	26.5
135.11674	15.6
137.09584	4.8
137.13260	12.4
141.09079	1.2
149.06082	1.0
149.13246	5.0
151.14825	2.6
161.13245	89.5
162.13573	1.7
167.14334	4.1
179.14299	100.0
180.14673	2.8
197.15372	32.1
199.16916	9.1
200.20097	5.0
211.16890	28.6
212.17346	1.2
215.16377	2.6
229.12569	4.8
229.15683	2.4
229.17976	46.3
230.18156	1.2
243.14131	3.1
244.22813	4.2
245.03516	1.0
261.15094	2.9
282.44278	1.2
287.16733	4.7
288.25366	2.2
295.82367	1.7
333.17282	17.6
350.19949	28.3
350.29056	19.4
351.12241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01606	2.1
55.01868	3.9
55.05492	9.9
57.03436	3.8
57.07084	2.2
57.17446	2.1
67.05495	8.2
69.03420	6.2
69.07047	9.4
70.06577	2.2
70.58388	7.0
70.58768	4.0
71.04981	9.2
79.05486	15.4
81.03417	11.4
81.07053	17.7
83.04977	5.6
83.08598	4.7
84.04475	3.1
85.02885	19.6
85.06530	3.4
86.09718	3.5
91.05476	13.9
93.07038	89.4
95.04961	7.9
95.08611	25.5
97.02879	7.0
97.06523	20.3
99.04446	2.9
100.11249	23.4
101.11595	4.6
103.05458	3.4
105.07035	6.9
107.08585	100.0
109.06533	5.9
109.10137	9.5
110.06049	3.7
118.98185	2.1
120.08094	18.5
121.02870	2.7
127.03915	4.0
131.04912	6.4
135.11679	64.8
137.13298	2.6
141.61702	2.1
145.04950	4.9
149.06015	4.6
153.12741	19.3
175.07484	2.6
182.15439	8.1
191.08211	13.4
191.11786	6.5
192.08504	13.8
204.08691	11.6
210.14931	5.0
211.15224	5.4
235.80792	2.5
258.80231	2.4
277.22983	7.8
277.73151	2.9
287.50162	2.4
304.13547	2.8
308.13171	3.8
322.07999	3.3
323.09213	2.9
332.12744	5.5
340.76123	3.3
343.30722	3.1
344.31036	3.8
350.07645	3.5
350.14362	9.5
351.08304	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67433	0.8
64.93756	0.8
66.10213	0.7
71.50218	1.2
154.93068	0.8
345.02710	1.0
351.06851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05506	1.1
56.63078	0.8
56.96564	1.4
57.03432	2.9
61.02921	1.8
65.03942	4.9
68.99777	1.6
69.03424	5.7
70.37621	3.4
71.05009	1.5
73.02917	3.8
79.05489	1.3
81.03403	3.0
81.07044	1.5
83.04981	3.5
85.02901	15.6
85.06128	0.9
91.03955	1.1
91.36814	0.8
93.03389	1.7
93.07069	0.9
95.05007	1.0
97.02892	6.1
98.06035	0.8
98.97588	3.4
99.04458	1.4
102.05608	0.9
109.02853	2.0
111.04440	27.7
112.07601	1.3
114.05446	0.9
115.03920	1.0
116.98637	2.4
121.03997	1.7
127.03913	3.9
134.99626	1.2
137.05992	1.8
139.03894	68.6
140.04297	1.0
142.08629	2.2
145.04939	3.0
145.08571	1.0
146.99644	1.2
156.04144	2.1
156.10042	0.8
158.99718	1.7
161.01285	0.8
161.03102	0.9
170.08112	1.5
171.06516	100.0
177.00702	2.1
180.08650	1.4
188.03793	1.1
188.09206	2.0
188.12772	1.6
189.00729	1.5
218.06345	1.4
219.01852	0.9
227.06888	0.9
237.02853	2.8
242.07370	1.0
246.11343	1.8
249.02969	1.0
253.05069	0.8
321.08426	1.8
350.08563	1.2
350.14767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	3.4
55.05507	1.3
56.96569	1.0
57.03433	1.2
60.04539	0.8
61.02916	1.7
67.05505	1.7
68.05038	1.9
69.03426	1.5
69.07047	1.6
70.06598	1.2
71.05008	1.5
71.59201	1.3
72.47807	0.7
73.02919	1.8
79.05501	1.0
81.03418	8.1
81.07050	3.8
82.07360	1.4
83.04969	2.8
84.04520	0.9
84.08112	0.9
85.02890	5.2
91.05492	1.5
91.11775	0.7
93.07056	1.5
94.06554	1.3
95.05042	1.0
95.08575	0.9
96.04491	2.1
97.02911	4.0
98.97577	1.4
103.05470	3.2
107.04960	1.2
107.08577	2.7
109.06522	1.0
110.06049	2.1
111.04435	1.5
111.89699	0.7
113.05995	0.9
114.05504	1.7
115.05441	5.4
116.98576	1.2
117.03379	2.4
117.07010	5.2
120.08090	0.9
122.06014	14.7
123.08078	1.1
124.07599	1.4
125.05974	2.2
126.05463	0.7
127.03882	1.3
129.06952	0.8
131.04874	6.1
132.07884	0.9
134.05971	0.8
134.99660	1.0
135.08034	1.4
137.05963	7.7
138.05486	1.8
140.07065	1.2
143.04922	14.4
144.08080	4.7
145.02815	6.3
145.06468	13.7
146.05983	0.9
147.04390	1.2
147.08012	1.3
149.05905	3.7
151.03946	1.8
151.07567	1.0
152.11546	1.7
153.05479	3.7
153.09088	3.6
156.08051	0.9
157.06544	1.1
157.12306	1.0
158.12509	0.8
159.07985	1.2
160.05167	2.1
160.07631	1.4
161.05963	2.4
161.08363	1.3
162.06760	1.1
163.07556	2.1
164.07094	1.0
166.04958	1.0
168.39684	0.9
169.06558	0.9
169.12219	2.1
170.06004	1.3
170.12553	2.8
171.04413	1.5
171.10143	3.9
172.07565	7.1
173.04594	0.8
173.05939	3.8
173.08366	1.8
175.07539	7.3
175.09845	1.2
177.00652	0.8
177.05475	13.8
177.09062	3.1
184.07591	4.4
186.09128	1.7
187.07576	4.0
188.04579	1.6
188.07117	1.9
188.10706	1.4
189.05450	2.5
189.07823	9.4
190.06284	2.5
190.08519	0.9
191.05290	2.6
195.06487	0.8
197.06064	0.9
200.04492	1.0
201.07788	2.9
202.08627	2.8
203.07057	14.7
203.09370	5.1
204.10172	14.2
205.08582	6.5
208.06180	1.0
209.06444	1.3
212.07018	6.9
212.55034	0.9
214.08600	1.3
215.05733	0.9
216.04210	1.5
216.10176	5.6
217.10991	2.6
218.11716	5.6
227.07045	1.2
229.07249	8.2
230.08133	3.9
231.06564	12.1
231.08824	1.8
243.08888	1.0
244.09689	21.5
245.07901	1.0
245.10020	1.1
246.11247	100.0
247.11531	2.3
249.07590	2.4
251.77650	0.9
257.06790	1.8
272.09167	47.9
288.12198	1.7
290.10226	27.9
305.11514	0.8
332.13370	1.5
333.10812	1.0
350.12280	41.4
351.12100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.34325	1.5
55.05487	5.0
57.03424	2.8
61.10677	1.6
66.01330	2.0
67.05486	4.1
69.07060	10.7
69.96142	5.1
69.96552	5.7
71.04977	1.7
78.68501	1.9
79.05464	5.6
81.07050	10.5
81.43505	1.6
83.08600	2.7
91.05441	5.7
93.07030	6.8
95.08595	7.1
97.06500	3.1
101.42889	2.2
105.07014	5.3
107.08581	6.3
109.06507	6.8
109.10145	3.9
111.08064	2.1
119.08561	5.3
121.10088	5.2
123.07177	3.4
123.08055	53.8
131.08568	2.2
133.10150	3.8
135.08051	4.9
135.11662	3.3
137.09558	5.5
147.11653	4.3
159.11633	3.3
221.15459	1.7
233.07561	2.0
271.10043	2.0
275.19989	3.9
293.21100	17.8
331.26379	3.0
349.23999	5.1
349.27332	100.0
350.27560	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05500	2.4
57.07070	4.4
59.82048	0.4
67.05500	2.9
67.60007	0.4
69.07047	2.5
71.04984	0.6
71.08617	1.7
72.03867	0.4
75.32583	0.4
79.05476	2.4
81.07053	5.6
83.08598	0.6
85.06550	2.4
91.05470	1.4
93.07050	2.5
95.04973	0.7
95.08594	4.9
95.94755	0.4
97.06533	0.5
97.10170	0.4
98.20738	1.5
99.08079	1.6
105.07018	2.2
107.08610	2.6
109.06510	15.4
109.10130	2.0
111.08056	0.5
119.08575	2.1
121.06452	0.6
121.10131	1.6
122.07291	1.7
123.08062	24.1
123.11610	0.9
131.08586	0.9
133.10129	1.6
135.08051	3.1
135.11693	0.6
137.09587	0.9
144.64217	0.4
145.10188	0.6
147.11699	1.3
149.09706	0.6
159.11707	0.6
161.13266	0.8
165.12773	0.7
167.14297	0.6
173.13142	0.5
175.14838	0.5
179.14302	98.5
180.14651	2.2
193.15939	2.8
229.71887	0.5
233.18904	0.4
237.62056	0.4
293.21234	0.6
331.22852	0.5
331.26089	2.4
349.27350	100.0
350.23737	0.6
350.27637	4.2
353.01480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1855
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03947	4.3
55.01862	3.2
55.05510	6.0
56.96555	0.9
57.03434	4.8
57.07060	1.9
58.95495	0.8
59.04988	2.9
61.02932	8.0
61.53694	0.9
65.03944	1.1
67.05498	7.9
69.03068	1.7
69.03427	23.7
69.07066	10.1
71.01333	1.1
71.04988	27.6
71.29816	1.2
71.30132	0.9
73.02922	4.2
79.05482	10.0
81.03415	12.2
81.07053	62.0
83.04986	6.5
83.08604	2.4
84.04499	1.1
84.08193	0.8
85.02901	79.5
85.06539	1.6
85.07677	0.8
86.06093	0.8
86.09732	0.9
87.04473	3.6
91.03963	2.7
91.05473	2.9
91.62396	0.8
93.07046	8.6
94.06577	0.9
95.04944	4.3
95.08608	4.4
97.02891	19.1
97.06533	7.9
98.97610	1.0
99.04469	5.6
99.08076	4.1
102.05027	0.8
105.07028	4.3
107.08591	19.9
109.02882	9.1
109.06495	4.6
109.10149	21.0
111.08078	3.7
111.11730	3.9
115.03913	1.3
115.05393	0.9
117.06988	1.7
120.04440	0.9
120.08121	1.0
121.10147	2.1
122.02729	0.9
122.06033	4.6
123.04453	1.0
123.08086	2.8
123.11700	37.7
125.09632	1.9
127.03915	14.3
127.07526	1.7
127.11146	1.3
131.04849	1.4
133.10074	4.4
135.11694	2.4
137.05975	2.1
139.11183	9.9
140.07117	1.0
141.12793	1.4
143.04898	2.9
144.08064	1.5
145.02917	1.4
145.04968	10.7
145.06477	2.0
146.05980	1.2
147.04425	1.4
147.08083	0.8
151.03929	0.8
151.11169	47.4
153.01869	0.8
153.05505	1.6
157.12244	9.4
164.07042	1.0
165.27362	1.1
167.07040	0.9
169.12228	100.0
170.12604	2.2
171.10172	1.3
172.07521	1.3
175.03833	0.9
175.07579	1.5
177.05501	2.2
177.09094	1.4
184.07552	1.7
187.07585	1.1
187.13289	32.7
188.07114	1.0
189.07864	1.1
190.04959	2.6
202.08904	1.9
203.06987	2.1
203.09494	1.2
204.10202	3.0
205.08524	1.2
212.07022	1.3
216.10202	1.1
226.70958	1.0
231.06541	2.4
244.09720	3.7
246.11249	14.9
272.09137	6.9
288.50140	1.0
290.10120	4.4
295.10797	1.0
313.11884	1.5
331.12723	4.3
349.13919	7.7
349.18286	4.0
350.12271	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	349.237
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03928	2.8
54.43981	2.6
55.01868	2.7
55.05502	13.6
56.96551	4.9
57.03433	19.0
57.07063	4.7
67.05492	24.7
69.07063	12.6
71.04990	3.8
71.61376	3.9
71.63710	2.5
79.05488	32.8
81.03418	3.2
81.07056	36.0
83.04984	3.3
83.08598	5.7
85.02871	7.4
85.06513	3.2
88.46054	2.5
91.05477	31.7
93.07030	29.3
95.04947	8.5
95.08599	25.6
97.02883	4.3
97.06496	3.6
98.22733	2.7
98.97547	2.6
105.07023	43.4
107.08582	22.3
109.06477	4.1
109.10146	11.4
111.08060	4.1
115.07337	2.4
116.98595	2.7
117.07022	26.6
119.08562	43.3
121.06515	4.5
121.10112	14.0
123.07999	3.7
123.11659	2.7
129.06972	12.0
131.08563	33.7
133.10110	20.9
135.08022	4.7
135.11642	6.1
137.09590	3.9
139.45465	2.8
143.08545	8.1
145.10112	46.4
146.10426	2.9
147.08005	3.3
147.11684	24.9
149.09610	7.5
149.13326	6.1
157.10110	17.2
159.08086	2.7
159.11679	47.1
161.09647	6.6
161.13257	12.0
163.11172	4.4
167.05099	3.1
169.10054	8.5
171.11678	7.8
173.11928	2.8
173.13208	16.7
175.11218	4.4
183.11708	7.6
185.13257	7.7
187.14755	3.7
197.13239	5.3
211.15016	4.1
215.18010	4.1
219.17416	6.2
229.19543	5.6
237.03107	2.6
239.17908	17.6
257.19019	44.8
269.12317	6.8
275.20053	22.7
285.10013	4.4
331.22656	4.4
349.10919	2.4
349.19855	12.0
349.23700	100.0
350.23880	10.2
350.28979	8.8
350.48550	3.2
371.20358	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03938	4.5
55.05509	15.7
56.96565	1.8
57.03434	34.1
57.07056	1.7
57.53834	1.9
67.05162	2.7
67.05503	39.3
67.92952	2.0
69.03422	5.2
69.07067	18.5
71.04974	6.1
71.63116	2.5
71.63536	3.2
79.05057	2.9
79.05487	43.7
81.07050	44.8
82.07360	2.1
83.04977	4.1
83.08607	12.2
85.02883	3.6
85.06544	7.8
86.09710	2.2
91.05477	58.6
93.06467	4.2
93.07036	62.7
94.07362	2.6
95.04938	12.1
95.08042	2.9
95.08604	37.2
97.02869	2.7
97.06512	6.8
99.04470	2.3
99.08057	6.1
103.05460	2.4
105.07027	69.2
107.04948	3.4
107.08586	30.8
109.06477	10.4
109.10148	14.4
111.08065	5.4
115.05407	4.6
116.98672	2.2
117.07010	32.4
119.08571	61.7
121.06482	5.3
121.10128	20.5
123.08063	5.8
123.11688	3.2
125.09640	12.5
128.06224	5.8
129.05501	2.8
129.06996	12.2
130.29628	1.8
131.08553	35.3
133.06509	2.5
133.10127	29.5
135.08041	3.0
135.11673	7.6
137.09604	3.8
141.06964	4.0
143.08554	15.0
144.09125	2.2
145.10118	55.2
147.08022	3.5
147.11671	28.4
149.09645	10.5
149.13280	5.5
151.03932	2.0
151.11131	3.5
155.08507	5.4
156.09358	2.6
157.10118	23.6
159.10425	4.1
159.11691	54.1
159.13007	3.2
160.12044	2.7
161.09624	9.6
161.13239	20.4
163.11195	5.3
165.09001	2.4
167.07069	3.4
169.10056	10.2
171.11705	6.8
173.13261	21.1
175.11182	4.5
175.14828	8.4
177.12773	4.0
179.10582	2.5
179.14331	2.3
181.04930	2.5
182.10802	2.0
183.11708	10.7
185.13266	27.3
187.14783	3.9
191.14288	2.5
197.13232	6.6
199.14816	2.8
201.16389	4.0
203.14275	13.7
207.10283	2.8
209.13348	2.2
211.14822	5.6
213.16364	2.2
215.17960	4.4
219.17427	14.0
229.19467	6.9
239.17952	26.4
257.18997	52.3
258.19379	4.4
275.20038	33.9
276.20398	3.1
277.18030	3.6
331.19043	3.5
331.22641	9.0
349.20444	3.6
349.23730	100.0
350.24020	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	349.1393
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.03934	2.0
55.01863	2.5
55.05493	4.4
57.03429	2.0
61.02915	1.7
65.03931	1.7
67.05487	4.4
69.03437	7.0
69.07083	6.8
70.06557	1.5
71.04985	7.3
71.59236	1.2
71.59628	2.3
73.02915	2.5
79.05483	3.5
81.03402	4.7
81.07054	21.2
83.04972	3.0
83.08606	5.1
84.04478	2.8
85.02897	20.9
85.06515	2.1
87.00809	1.2
87.04471	1.5
91.05451	3.0
92.04984	2.3
93.07035	2.3
94.06561	7.0
95.04977	3.0
95.08591	2.1
96.08131	2.2
97.02886	5.9
97.06502	4.0
99.04453	2.9
99.08074	2.3
105.07016	1.8
107.08587	3.6
109.02866	3.7
109.10132	4.6
110.06030	2.4
111.08070	1.7
115.03864	1.4
116.98638	1.7
118.06528	2.0
120.04456	9.5
120.08118	3.0
122.06027	17.0
123.04394	2.6
123.11736	9.1
124.07587	11.9
127.03925	6.2
134.06018	2.5
136.07527	3.6
138.05482	6.1
139.11229	1.8
140.07060	30.0
142.08620	1.8
143.04837	2.4
144.04434	6.9
144.08078	1.6
145.04912	3.7
146.06000	25.6
148.03928	2.1
148.07574	8.1
151.03766	1.5
151.11189	8.1
152.06946	1.9
153.01773	1.3
157.12148	2.7
158.99725	1.7
162.05486	9.5
163.07483	1.4
164.07057	18.3
169.12233	23.7
172.02495	2.0
172.03932	27.6
172.82387	1.3
173.04425	1.9
174.05516	7.6
177.05376	1.6
184.07593	1.4
187.13295	8.4
187.63208	1.3
190.04982	100.0
191.05351	2.2
192.06570	13.6
196.07574	1.3
198.09131	1.4
202.08752	2.1
203.07002	1.8
204.10123	2.1
208.06047	57.6
212.07034	2.2
212.10835	1.9
214.08519	1.9
224.10661	2.0
226.08655	1.6
231.05003	3.3
234.07559	1.9
239.11708	2.2
242.11716	1.9
243.11304	1.5
244.09743	3.5
246.11234	8.3
261.12332	1.6
267.11279	3.6
269.12839	2.0
271.10672	2.9
272.09177	3.8
285.12268	4.5
286.10818	3.1
287.13901	5.4
289.11673	2.8
290.10300	1.6
295.10645	1.8
303.13382	6.9
305.14877	2.5
307.12943	2.9
308.41159	1.2
313.11874	10.0
328.14114	1.5
331.12863	44.8
338.97339	1.4
349.13947	14.0
350.12509	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01852	0.8
55.05498	0.6
55.73244	0.3
56.05040	1.9
56.96288	0.4
56.96560	6.4
57.03430	3.2
58.99838	0.3
59.04993	0.7
60.95864	0.4
61.02917	2.6
67.05468	0.3
68.05028	0.3
69.03423	6.2
69.82600	1.9
70.03756	0.6
70.06586	0.9
71.01352	0.5
71.04984	1.4
72.08141	0.8
73.02910	6.1
74.03225	0.5
74.06052	0.4
77.00887	0.6
81.03412	2.6
81.07053	0.4
83.01334	0.5
83.04977	0.9
84.04485	0.6
84.08147	1.8
84.96033	1.2
85.02895	12.2
85.06559	0.4
86.03241	0.8
86.06061	0.7
86.99313	0.4
87.04434	1.5
87.99752	0.3
88.74126	0.3
91.03951	0.7
91.05463	0.4
94.99882	0.3
95.04947	0.4
96.04477	0.4
97.02878	7.7
98.03217	0.5
98.06054	0.7
98.97567	10.4
99.04438	1.1
101.00873	1.9
101.06002	0.8
102.96893	0.7
103.02454	0.3
105.00325	0.3
107.04957	0.5
109.02872	1.5
109.08423	0.4
110.06038	1.2
110.07131	0.5
110.97578	1.4
112.99118	2.0
113.00881	0.9
113.02334	0.8
113.03484	0.9
115.02413	1.3
115.03915	0.8
116.00217	0.3
116.98613	7.7
117.52211	0.4
119.01901	9.3
119.04906	0.4
120.02036	0.5
120.97901	0.6
121.03434	0.3
122.06029	1.2
123.04398	0.3
123.06906	0.3
124.07628	0.7
125.06019	0.3
126.05543	0.5
127.02392	0.9
127.03926	3.3
128.04257	0.3
128.07085	0.5
128.98592	3.1
129.00229	0.4
129.03963	0.5
131.00191	4.4
131.01875	5.7
133.01706	0.4
133.03471	4.4
134.06036	0.5
134.99629	3.5
135.04358	0.4
136.03848	0.4
136.07587	0.4
137.02908	1.7
137.05984	1.3
138.05476	1.8
139.02473	0.7
139.04915	0.4
139.05902	1.7
140.00203	0.4
140.07051	1.2
142.03682	0.6
142.29155	0.3
143.00146	1.1
143.01927	2.5
144.02707	0.3
144.98114	0.5
145.01724	0.7
145.03459	8.1
145.04955	2.4
146.99628	2.7
147.01407	0.8
147.03253	0.6
147.05130	0.6
149.01202	4.1
149.02905	1.1
150.05434	1.5
150.99042	0.3
151.02628	0.5
151.04558	0.5
151.05981	1.4
152.06943	1.5
152.10878	0.3
152.98586	0.4
153.00558	0.6
153.05461	0.7
154.03853	0.4
155.00084	0.3
155.00510	0.3
155.01866	5.4
155.02916	0.4
156.07678	0.6
157.01677	0.3
157.02148	0.5
157.03459	5.7
158.99637	2.9
159.05054	0.8
161.01237	1.9
161.02960	4.5
162.99141	0.7
163.02834	1.5
163.04486	1.2
165.00702	1.0
167.02118	1.0
167.06976	0.5
168.05202	0.5
168.06549	1.7
169.03320	1.7
169.06987	1.6
169.09561	0.4
170.04845	0.4
170.06178	0.5
170.08109	1.4
170.99669	1.3
171.01236	0.3
171.05013	1.0
173.01268	2.0
173.02974	8.5
173.06613	0.5
174.03008	0.4
175.02835	1.6
175.04527	5.7
175.05949	0.5
177.00734	4.1
177.02277	0.4
177.04189	0.6
177.06001	0.6
178.04897	3.7
179.02226	1.1
179.03885	0.4
180.04384	0.4
181.00272	0.5
181.03537	0.7
183.01511	0.3
183.05003	0.5
184.04832	1.3
185.02882	4.2
185.04321	0.4
186.04573	0.6
186.07632	0.6
186.56720	0.4
187.00758	0.6
187.02789	1.0
187.04527	3.3
187.08057	0.5
187.10835	1.0
188.02306	0.4
188.05701	0.4
188.09186	3.9
188.12843	1.1
189.00745	1.8
189.02318	0.4
189.04532	0.4
189.06096	0.7
189.55777	0.4
191.02242	2.2
191.03952	0.9
193.00160	0.7
193.03787	1.4
193.05519	1.2
193.55634	0.4
195.01653	0.7
197.02904	1.9
199.02809	0.6
199.04549	2.0
199.06268	0.5
200.02354	0.4
200.04103	0.4
201.00764	1.2
201.06152	1.3
201.08733	0.4
203.03908	2.5
205.00139	0.7
205.03722	1.6
207.05405	0.4
209.02974	0.6
211.02855	0.4
211.04475	1.6
214.03915	1.2
215.00439	0.7
215.03992	0.8
215.10239	0.4
217.03760	0.4
217.07175	0.6
219.01755	4.0
221.03192	0.5
221.05103	3.4
223.01097	0.6
223.04810	1.7
223.06836	0.8
227.04077	0.5
229.05623	0.4
231.01776	0.4
231.07048	0.6
232.04791	0.4
233.03065	0.5
233.05171	0.7
235.06609	2.3
237.02806	7.9
238.03023	0.3
239.04224	1.1
241.05806	0.6
245.05031	2.5
247.02808	0.5
247.04915	0.6
248.99133	0.4
251.04358	1.3
253.07739	2.0
255.03825	1.4
256.03961	0.3
257.05106	0.9
259.06638	3.9
259.09073	0.4
260.04486	0.5
260.07260	0.6
261.08246	0.4
265.06070	1.0
267.09055	0.7
267.59155	1.4
268.07416	0.7
268.58896	0.7
269.05402	1.0
273.08536	0.5
276.03992	0.4
277.07715	6.3
278.05493	0.5
279.03943	0.9
281.05426	0.9
282.58163	0.8
287.06210	0.4
289.07635	7.3
290.05338	0.4
291.09219	6.1
292.09451	0.4
293.05402	0.6
295.07178	0.4
301.07706	0.5
305.07428	0.5
307.06970	0.9
308.06482	0.6
313.07663	1.0
317.07211	0.8
319.08664	1.8
321.10590	2.5
322.10693	0.5
326.09076	0.4
331.08920	2.2
332.13483	0.5
337.07950	1.4
339.60648	0.4
341.10263	0.4
348.61816	3.3
349.11002	100.0
349.60858	1.2
350.11224	2.8
355.09128	1.3
359.07809	0.5
365.07632	0.5
367.09158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01850	0.9
56.96554	0.8
57.03427	1.3
61.02924	3.2
67.05491	0.6
69.03423	5.0
70.06590	0.6
70.95316	0.7
70.95678	1.0
71.04989	0.7
73.02917	1.3
79.05502	0.6
81.03404	2.1
81.07027	1.0
85.02899	20.9
86.09716	0.6
87.04465	0.9
91.03935	1.2
91.05473	12.8
93.07045	0.5
95.04977	2.5
95.08566	0.7
97.02885	6.5
98.97576	0.8
99.04465	1.4
107.04928	0.6
107.08563	0.6
109.02877	1.7
111.04443	0.5
115.03914	0.8
116.98644	0.9
119.04932	11.6
120.05064	0.6
123.04422	0.6
123.08073	2.0
127.03920	3.8
134.99713	0.6
136.05188	1.5
137.05972	2.3
138.09109	1.0
145.04947	4.6
147.04453	1.0
149.05960	0.6
151.07532	100.0
152.07919	1.1
163.06096	0.5
163.07529	0.6
165.85474	0.5
168.10204	2.8
169.08600	8.9
175.07295	0.5
177.05540	0.5
180.08661	2.2
186.11278	3.5
193.08530	1.3
199.29201	0.5
219.01753	0.6
237.02628	0.9
254.32365	0.6
277.10519	0.7
342.89590	0.5
348.12656	0.6
348.16400	1.0
349.08875	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	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	1.1
55.05519	0.6
56.05050	0.6
56.96553	5.7
57.03434	2.6
58.06588	0.6
61.02926	2.4
67.05495	1.6
68.79224	0.4
69.03423	7.6
69.93253	2.8
70.06583	0.7
71.04989	0.6
73.02911	4.3
74.06076	0.8
74.56908	0.5
74.97618	0.4
75.72692	0.5
79.05486	0.9
80.85205	0.5
81.03421	3.2
82.77085	0.5
83.05001	0.6
84.04504	1.2
84.08142	0.9
84.96001	0.9
85.02894	12.7
86.03236	0.8
86.09691	3.0
87.04461	1.5
91.03983	0.8
91.05473	1.3
93.07022	0.7
94.06555	6.9
95.04959	1.3
96.04473	0.5
97.02876	6.9
98.06039	1.1
98.97572	9.1
99.04449	1.7
101.00906	0.5
105.83334	0.5
106.06555	0.5
107.04939	2.2
108.08104	1.5
109.02866	1.6
109.99083	0.5
110.06046	0.8
110.97556	1.3
111.59129	0.4
112.99107	0.7
115.03896	0.5
116.07044	0.6
116.98616	8.2
119.01883	1.9
119.04915	0.8
120.01971	0.6
121.06487	2.0
122.06013	72.8
123.04437	2.0
123.06910	2.5
124.07578	1.5
126.05531	0.9
127.03924	3.4
128.02316	0.7
128.98607	2.6
131.00154	1.4
131.01862	0.5
131.04913	0.5
132.10202	1.4
133.01758	0.5
133.39537	0.4
134.06050	0.7
134.99637	4.4
136.06180	3.3
136.07603	0.8
137.05984	2.4
137.08324	0.6
138.05476	7.9
140.07028	1.9
143.00180	1.1
143.01857	0.7
144.06581	1.0
145.01720	0.6
145.03676	0.5
145.04935	2.0
146.99638	2.8
147.03218	0.6
147.04413	0.9
149.01260	1.1
149.05957	1.6
150.05486	71.7
151.06226	3.8
151.07471	0.9
152.07054	3.1
154.03836	0.5
154.04999	0.5
155.01820	0.5
155.07019	0.6
155.08174	0.6
156.06567	0.6
158.99643	3.0
159.03151	0.5
161.01216	1.9
161.02940	1.4
162.03067	1.3
162.99156	0.6
163.02788	0.7
165.00664	0.9
166.08615	0.9
167.02211	0.5
167.07021	9.7
168.06541	100.0
169.04623	0.5
169.07051	2.0
170.05150	0.6
170.08119	1.0
170.99672	0.6
173.01198	0.6
173.02867	0.5
174.99092	1.0
175.02779	1.1
176.03207	0.5
176.08203	0.7
177.00697	6.6
177.05461	4.0
178.01108	0.5
178.06148	0.5
179.02283	0.6
186.07602	45.5
187.02684	0.7
187.04424	1.1
187.07887	0.9
188.08081	0.5
189.00696	1.0
191.02251	0.6
192.12997	0.5
193.00169	0.7
193.03722	1.0
195.01663	0.8
201.00722	0.9
203.03969	0.8
209.08063	2.8
214.05966	0.5
217.03810	0.9
218.05072	0.6
219.01750	5.9
220.02119	1.0
221.03247	0.8
221.05115	0.6
223.01274	1.2
224.04851	0.5
227.09143	3.9
229.03694	1.0
232.14474	0.5
237.02795	7.0
238.03070	1.1
239.02188	0.5
242.03308	0.4
245.04810	1.0
245.06911	1.1
246.05321	0.6
247.02945	0.6
257.56732	1.0
258.07825	0.6
258.57645	0.7
266.56717	0.6
267.07126	0.9
279.03854	1.0
283.53348	0.5
286.08328	0.5
302.12186	0.8
303.10803	0.6
321.08621	0.5
330.07269	2.0
330.11606	1.6
331.03445	0.6
338.59384	0.5
339.09665	1.0
339.60214	0.6
347.06631	0.8
348.06805	0.9
348.12878	12.6
349.11121	3.1
365.07410	0.9
366.07758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01862	3.3
55.05499	2.5
55.28600	0.9
56.05034	1.6
56.96312	1.7
56.96555	12.6
57.03419	4.7
60.04500	3.1
61.02916	7.2
67.05487	2.5
69.03425	18.8
69.81665	7.0
70.06587	3.1
71.04978	3.1
72.08139	2.5
73.02913	8.8
74.06084	2.1
74.97613	1.1
79.05504	1.5
81.03407	6.0
82.06564	2.4
83.04951	2.8
84.04490	4.4
84.08128	2.9
84.96005	3.2
85.02895	52.9
85.06503	1.4
85.07635	1.1
86.03210	1.7
86.09697	9.5
87.04440	2.9
88.03958	1.7
91.03940	2.6
91.05457	3.6
95.04959	3.1
95.08568	1.1
97.02876	17.9
98.97565	17.1
99.04434	3.5
101.02375	1.1
102.05557	1.3
103.05443	1.2
107.04937	2.0
107.08590	1.6
109.02862	5.2
110.05995	1.7
110.97573	2.7
115.03973	1.1
116.98619	14.7
119.01910	2.4
119.04908	2.6
120.01959	1.5
122.06037	3.1
123.04417	100.0
124.02892	1.3
124.04718	1.7
124.07574	1.6
126.05515	2.2
126.65710	1.1
127.03912	11.7
128.04210	1.3
128.07050	2.4
128.98596	4.2
130.04999	1.1
131.00079	1.9
134.99648	10.9
136.06160	29.0
137.02844	1.6
137.05949	6.2
138.05515	3.0
139.03900	2.3
140.07050	2.2
143.00195	1.4
143.01904	4.8
144.02005	4.0
144.06509	3.6
144.98122	1.2
145.01776	2.0
145.04941	9.9
146.99684	6.6
147.04359	5.6
149.01158	1.6
149.05943	2.1
150.05492	2.9
151.02727	1.9
151.03891	27.1
151.07481	5.3
152.04263	1.4
155.04633	2.0
157.05006	1.2
158.99644	6.4
160.03888	1.6
161.01201	3.4
161.02943	9.9
161.04712	2.0
161.05951	1.3
162.03046	11.2
162.99010	2.1
163.02728	4.2
164.05197	1.4
165.00677	1.1
166.04918	2.1
167.07030	5.4
168.06549	5.5
169.04958	60.3
170.05170	2.8
175.02788	2.3
176.08194	6.1
177.00691	9.7
177.04224	2.5
177.05688	2.4
179.02266	1.1
179.07050	2.6
180.08600	4.6
181.00142	1.5
186.05051	1.7
186.07808	6.7
186.09558	2.5
186.11166	5.7
188.08173	6.9
189.00697	3.7
189.08707	2.5
195.05389	1.4
201.00653	1.8
201.12402	1.5
203.03810	1.6
203.09259	3.3
204.04210	4.2
205.00117	1.7
205.03795	4.0
209.07916	1.3
214.06108	5.4
215.13889	1.2
217.08189	1.7
219.01721	8.3
223.01201	3.3
227.09119	1.8
233.06679	2.4
237.02805	12.1
242.07373	2.3
243.06992	1.8
253.03958	1.3
255.03831	2.0
258.07718	7.1
259.08273	5.5
260.04398	1.5
261.02737	1.8
279.03940	3.0
280.06992	2.1
289.05829	1.4
292.58920	1.8
295.07526	1.8
303.10828	8.1
307.06982	5.0
309.08563	2.8
319.12354	1.5
321.08499	2.3
324.09662	3.3
330.11816	2.0
335.10278	1.9
339.10190	7.0
339.56305	1.4
339.60287	1.9
340.10901	7.5
348.06790	3.2
348.13110	23.5
348.16882	2.5
349.07553	2.2
349.11151	2.1
349.14627	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05523	0.5
57.07059	1.3
60.25083	0.3
63.18920	0.3
63.42099	0.3
69.07050	0.4
69.37583	1.4
69.38006	2.2
70.06577	0.5
71.08620	0.5
81.07052	0.4
82.25450	0.4
88.07597	0.6
95.08601	0.8
107.08559	0.4
112.97868	0.4
119.08546	0.6
132.59081	0.4
149.02356	1.2
156.75461	0.4
193.04932	3.3
224.65604	3.6
225.15746	0.8
261.14572	3.3
285.29807	1.0
297.57056	0.4
307.64264	0.4
347.21909	100.0
347.77554	0.7
348.21893	3.1
348.25873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01856	7.9
55.05504	67.9
57.03431	18.3
59.04987	2.9
61.02911	2.8
67.05489	3.2
69.03132	1.8
69.03429	22.4
69.07045	4.4
70.06549	1.8
71.01352	1.8
71.04983	4.7
71.61554	2.4
73.02911	5.5
75.04450	6.1
79.05455	3.7
81.03397	6.4
81.07023	6.5
83.04977	16.8
83.08133	3.0
83.08611	49.3
84.08108	2.0
85.02898	33.4
85.06551	2.5
86.09680	2.6
87.00812	9.0
87.04463	3.7
91.05469	7.5
93.07036	5.8
95.04934	4.8
95.08557	3.7
97.02895	20.0
97.06504	4.2
98.97566	3.2
99.04463	3.7
101.09644	3.2
105.01848	6.8
105.06998	3.3
107.04929	3.5
107.08586	4.7
109.02878	2.9
109.06483	4.7
111.04420	5.7
115.03924	31.4
115.05495	2.2
115.20132	1.7
116.98609	2.5
117.06974	2.1
118.52508	1.6
119.04945	4.3
119.08541	1.9
121.06495	15.7
121.10137	8.1
122.05989	3.3
123.04388	3.9
123.08035	2.9
125.02339	6.2
125.05978	2.9
125.09592	5.6
127.03883	7.6
131.04901	3.6
133.04947	7.9
133.06436	1.9
135.04369	2.7
137.05956	16.9
137.09587	4.2
138.05438	1.9
138.09114	2.5
139.11110	4.5
143.04919	2.3
145.04948	4.0
145.06367	2.0
147.07997	2.1
149.05983	27.1
149.09613	4.6
150.06653	2.7
151.07558	19.1
152.06136	4.9
153.06973	19.9
161.04436	17.7
162.05469	2.2
163.07578	2.0
165.06984	4.5
166.08748	2.3
167.07063	1.8
167.08826	5.0
167.10657	57.5
168.02829	3.1
169.06474	8.6
170.07166	2.4
171.08009	2.1
175.07591	2.8
177.09073	2.1
178.04938	2.9
179.05516	2.3
179.06985	1.8
181.06462	32.8
182.00945	2.4
182.06979	2.7
183.08112	4.5
185.11711	20.1
185.13194	2.5
186.04060	2.6
193.08369	2.2
195.08063	6.4
196.05121	2.5
197.05948	18.9
198.06731	8.2
201.03870	4.0
207.04411	8.8
209.05965	9.3
211.07477	13.6
213.05656	2.1
213.09079	23.8
215.06941	2.8
219.05006	4.5
225.05486	8.5
226.06067	2.2
227.06917	1.9
228.07875	2.1
229.08514	4.3
239.07027	7.2
240.07715	1.9
241.08563	31.6
247.04449	4.3
255.10123	3.0
257.08374	2.4
258.08856	78.4
259.09271	3.0
271.09509	12.2
272.10403	100.0
273.11176	70.4
281.07565	2.3
314.11472	2.5
318.16855	2.1
329.11249	6.0
333.90268	2.1
347.12451	8.9
347.16583	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	347.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01869	7.3
55.05507	100.0
56.96572	1.6
57.03432	11.1
61.02917	1.9
67.05493	2.7
69.03423	24.1
69.07062	3.1
70.06595	1.4
70.77147	1.4
71.01352	3.4
71.04980	7.8
71.14760	1.4
71.15099	2.7
73.02914	8.1
79.05491	4.4
81.03407	4.9
81.07051	10.2
83.04968	8.4
83.08611	63.1
84.08151	6.2
84.08934	1.4
85.02895	39.8
85.06526	1.6
85.88924	1.2
86.09695	3.7
87.00823	8.0
87.04456	4.1
90.03134	1.2
91.05486	2.9
93.07047	4.4
93.67339	1.3
95.04953	3.2
95.08602	3.7
97.02881	25.4
97.06526	3.9
98.97583	3.1
99.04448	3.9
99.08097	1.8
101.09657	5.6
105.01868	8.5
105.07027	2.3
107.08591	7.8
109.02882	2.7
109.06532	5.3
109.10170	4.5
111.04410	1.4
111.08038	1.7
115.03922	47.1
116.98594	1.7
121.10150	7.7
123.08067	2.3
125.02356	7.2
125.05993	2.2
125.09647	3.8
127.03918	6.5
133.04991	9.7
135.04367	1.7
137.05974	3.6
137.09637	5.1
139.11165	9.2
145.04985	4.6
149.05983	2.4
149.09610	4.7
151.07613	1.7
152.07089	2.3
153.06895	2.1
161.04449	24.5
161.05865	1.9
167.10660	28.6
178.05032	2.7
179.05565	3.7
181.06482	3.0
185.08037	2.2
185.11725	11.5
201.03934	4.8
207.55190	1.4
219.04977	7.8
223.09117	3.3
243.12645	1.4
247.04407	4.9
247.44102	1.5
257.56564	1.4
258.08963	3.8
271.12714	1.3
272.10391	8.7
273.11063	3.5
295.46378	1.5
297.33954	1.5
311.10898	1.3
322.41333	1.5
329.11380	2.4
344.11823	1.9
347.12851	8.0
347.22083	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01863	8.6
55.05508	100.0
56.05853	1.7
56.96532	1.6
57.03432	9.0
57.56449	1.2
59.04988	1.2
61.02919	2.1
65.17744	1.2
67.05490	1.8
69.03066	2.0
69.03424	22.7
69.07060	2.2
70.06574	1.1
71.01350	2.8
71.04984	6.2
71.46248	2.8
73.02910	5.7
74.71838	1.2
79.05507	3.2
81.03410	6.6
81.07047	6.1
83.04974	10.8
83.08613	70.8
84.08123	2.7
84.08948	1.5
85.02902	32.0
86.09735	1.4
87.00820	11.3
87.04452	4.5
91.05510	2.0
93.07033	3.2
95.04948	2.7
95.08576	1.7
97.02885	32.8
97.06520	4.1
97.46201	1.1
98.97572	2.6
99.04446	2.8
99.08092	1.6
101.09656	5.3
105.01853	10.8
105.07037	2.7
107.04938	2.6
107.08607	2.2
109.02872	2.2
109.06519	3.6
109.10131	2.1
111.04444	3.4
115.03921	50.2
116.98611	1.9
119.08605	1.3
121.06496	2.8
121.10143	6.3
122.06035	1.2
123.20119	1.2
123.91154	1.4
124.07587	3.2
125.02343	10.6
125.06030	1.5
125.09609	3.2
127.03899	6.7
133.04961	9.4
137.05983	4.9
137.09558	1.5
138.09122	2.0
139.11203	3.6
143.03424	1.3
145.04951	4.9
149.05989	5.4
149.09607	1.7
151.03819	1.5
151.07532	2.6
153.02850	1.6
153.06996	2.5
158.92355	1.1
161.04443	22.3
161.13197	1.6
166.08571	3.0
167.08995	4.6
167.10654	31.3
168.02924	4.3
169.06503	1.3
177.00662	1.4
178.04959	2.9
179.05470	3.2
181.06477	4.7
184.09836	1.2
185.05429	1.4
185.10094	2.0
185.11726	8.2
186.03986	2.6
201.03885	5.9
211.07550	1.9
213.09105	2.4
219.04955	7.6
225.05528	1.3
237.02985	1.4
241.08646	3.9
247.04559	5.5
258.08865	7.6
271.09695	1.4
272.10388	11.8
273.11176	8.3
323.13596	1.2
329.11102	1.4
347.12717	4.7
347.16577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01874	4.1
63.66970	0.6
67.05479	0.8
69.03442	1.3
69.07049	0.7
69.34382	6.9
73.88936	0.7
77.36310	0.6
81.03426	0.8
81.07049	1.6
85.02892	1.6
87.04477	0.8
91.05461	1.1
95.08591	1.1
96.93481	0.6
98.06042	0.8
107.05000	1.2
107.08585	0.7
109.10103	0.8
110.06054	0.8
114.93193	0.6
121.06495	1.0
122.05981	1.0
124.07598	0.8
125.05885	0.8
125.09682	0.9
129.07002	0.9
131.08524	0.9
134.05997	0.8
137.05968	9.0
140.07025	0.9
148.07486	1.1
152.03387	1.3
160.03947	1.2
162.05446	0.9
165.06998	1.0
167.07140	1.1
168.08089	0.9
172.07614	0.8
173.04187	0.9
176.06995	1.3
178.04988	3.3
183.09236	1.0
185.07053	1.8
187.05046	1.4
196.07561	1.1
197.07036	1.2
198.07867	1.0
199.08658	4.2
200.10764	0.9
201.06610	4.2
201.10292	1.0
204.06531	0.9
205.06311	1.0
206.07030	1.3
209.10771	1.4
210.09099	1.4
211.08795	1.6
211.12201	1.0
213.06642	7.0
213.10309	4.2
219.07745	1.2
222.07788	0.8
223.08714	1.0
227.08150	8.3
227.11758	2.4
229.09700	3.7
231.07661	3.7
237.10239	3.6
238.08577	2.1
239.08328	1.6
239.11673	1.0
241.09753	5.4
243.11298	1.3
245.09254	1.8
250.07414	1.3
255.07617	9.3
255.11316	7.2
257.09192	2.5
257.12817	1.4
259.07205	1.9
259.10486	0.8
265.09753	4.6
266.08035	0.8
267.07605	1.3
267.11371	0.8
269.09192	9.2
273.08783	4.3
273.12372	0.7
275.10379	1.1
283.10751	20.3
284.11914	0.7
285.08954	0.8
285.11972	1.0
287.10236	3.2
293.09204	5.5
299.09186	3.3
301.11810	5.8
311.10242	40.5
312.10669	1.1
319.12924	2.1
329.11273	65.8
330.11774	3.4
347.12344	100.0
348.12689	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68365	0.6
55.01870	3.5
60.24131	0.6
67.05465	0.8
69.07069	0.8
71.14932	0.8
71.15246	0.9
75.42429	0.7
78.25587	0.7
79.30338	0.6
81.07035	0.6
85.02899	1.1
91.05446	1.0
93.07037	0.9
95.08572	0.7
97.06509	0.8
105.07053	0.9
106.71873	0.6
109.10138	0.7
110.63934	0.6
122.06017	0.7
123.11673	0.8
129.06975	0.8
131.04907	0.8
133.02765	0.7
137.05991	2.0
138.05493	1.0
144.08168	0.6
152.03365	0.8
153.05476	1.5
157.06487	0.7
160.03990	1.4
161.04764	1.0
161.06026	1.1
162.05463	1.1
167.07071	2.5
168.08081	0.8
176.07010	0.8
178.05026	2.2
185.07074	2.5
185.10823	0.6
185.15419	0.8
186.09196	0.9
187.05029	1.8
189.09134	0.9
196.07631	0.8
198.09297	1.2
199.08699	4.1
200.09286	0.8
201.06471	2.9
201.10164	1.2
205.06186	1.2
209.10910	1.0
210.09190	1.5
211.08611	0.9
212.09338	0.9
213.06648	4.6
213.10213	4.1
223.08638	1.2
227.08183	6.1
227.11801	2.7
228.06685	0.8
228.10323	1.0
229.09712	2.2
231.07648	3.5
237.06537	0.9
237.10234	2.4
238.08655	2.0
239.08157	1.2
239.11790	1.3
241.09810	4.9
243.07555	0.8
245.09161	1.0
255.07660	8.2
255.11328	5.8
257.09146	1.7
259.07236	1.3
259.10709	1.2
265.09802	4.3
266.07901	0.8
267.07626	2.4
269.09247	7.5
273.08704	4.3
273.12445	0.8
275.10345	0.7
275.13770	0.6
283.10751	18.1
286.11707	0.8
287.10239	2.1
293.09241	4.4
301.11853	3.6
303.12430	1.3
311.10248	37.4
312.10623	2.0
319.12830	2.3
329.11276	54.0
330.11481	2.9
347.12369	100.0
347.16302	5.0
348.12674	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	347.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53255	0.4
53.20247	0.4
55.01856	0.8
55.05494	1.7
56.05042	0.8
56.96566	2.3
57.03424	1.5
59.05008	0.4
60.04513	1.6
61.02912	1.6
64.20197	0.4
67.05514	1.0
69.03428	4.2
69.07046	0.5
69.90948	2.6
70.06594	4.4
71.05011	0.6
72.08149	0.7
73.02905	1.8
74.06080	0.7
75.04480	0.7
76.64462	0.5
77.00896	0.5
81.03404	1.8
81.07039	1.4
82.99870	1.7
83.04989	0.8
83.06101	3.1
83.08586	0.9
84.04474	0.8
84.08138	1.6
84.96050	0.6
85.02905	9.0
85.06509	0.5
86.03241	0.5
86.09698	1.4
87.04449	1.4
90.16210	0.3
91.03922	0.6
91.05494	0.9
91.76724	0.4
92.19180	0.4
95.04961	0.5
97.02892	5.1
97.06471	0.5
98.06050	0.5
98.97587	4.3
99.04474	0.7
101.00876	5.3
107.04967	0.8
109.02883	1.2
109.06468	0.7
110.97558	0.7
115.03899	0.8
116.98622	3.2
119.01922	25.7
119.04937	0.7
120.01993	0.9
122.05988	0.5
123.04427	1.2
127.03896	2.0
128.07074	1.1
128.98633	1.0
129.10257	0.4
130.05006	0.9
130.08626	0.5
131.01884	1.1
133.03494	0.4
134.99638	2.2
136.06200	0.9
137.02963	4.5
137.06030	1.9
137.07016	0.5
140.07010	0.7
142.03473	0.6
143.01895	53.3
144.02023	2.6
145.04970	1.4
146.99625	1.2
147.04393	1.7
147.07620	0.6
149.02919	0.9
153.00598	0.5
155.01895	1.1
157.09679	0.5
158.99641	1.5
161.02954	100.0
162.03082	4.7
167.07010	1.1
167.08252	0.8
167.11838	1.0
169.04881	0.6
173.02985	1.7
173.09146	0.4
173.12929	0.8
175.02757	0.5
176.05165	0.7
177.00711	2.5
177.05827	1.7
179.03983	1.8
179.05432	0.4
184.04578	6.1
184.06102	0.8
185.02939	0.6
185.06534	1.8
185.07777	0.8
185.09216	13.1
185.12817	1.3
191.02332	0.5
191.03923	0.5
191.05956	0.5
197.06519	0.8
200.02280	0.5
201.00711	0.5
203.04012	41.3
204.04247	1.8
208.04913	0.6
217.05443	1.1
219.01665	2.1
221.05009	2.3
227.07672	2.6
237.02841	3.1
241.06247	0.5
245.05150	0.7
258.07639	0.9
261.02765	0.6
263.06158	1.2
266.09064	1.3
274.72592	0.4
279.03604	0.7
280.06863	0.8
287.09735	12.1
288.09991	0.6
303.10901	0.5
305.10669	1.4
321.08646	0.8
322.74524	0.4
339.10178	0.6
347.12704	9.9
347.17905	0.9
347.22626	0.9
347.61334	0.4
348.12869	1.1
368.39261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46601	2.6
53.03934	3.2
55.01868	4.1
55.05508	30.1
56.33180	2.5
56.96556	11.4
56.98362	2.4
57.03428	6.4
57.07066	4.3
59.04971	3.6
67.05502	88.5
69.03424	5.9
69.07065	38.1
71.05002	5.6
71.63400	4.1
79.05484	36.6
80.81564	3.3
81.03419	4.1
81.07055	87.2
82.07379	3.2
83.04958	7.1
83.08627	23.3
84.95974	3.2
85.02904	6.5
85.06516	8.4
88.65714	2.3
91.05495	31.3
92.05790	2.8
93.07033	46.4
94.07387	3.8
95.04960	11.3
95.08604	43.0
96.08946	3.4
97.02886	3.1
97.06514	13.6
97.10159	22.1
98.97579	23.6
99.08085	3.4
99.58459	2.4
105.07030	31.4
107.04945	7.3
107.08594	49.2
108.08930	3.1
109.06524	8.1
109.10152	60.7
110.79842	2.4
111.04485	2.9
111.08066	5.5
112.99098	3.2
116.98598	28.9
117.07001	14.1
119.08562	24.8
120.67310	2.4
121.06481	3.0
121.10140	19.6
123.04422	4.1
123.08072	4.5
123.11698	7.2
125.09653	16.6
128.98636	3.7
131.00157	5.6
131.08588	14.1
133.10114	28.5
134.99696	14.7
135.08067	5.7
135.11699	13.7
137.05966	5.6
137.09599	7.0
139.03882	11.9
139.11182	3.4
143.08571	4.7
145.10109	13.9
147.08073	2.8
147.11693	15.9
149.01241	12.8
149.09605	14.3
149.13258	19.3
151.11198	4.4
153.00693	2.7
153.05368	2.8
155.10680	13.7
158.99680	9.5
159.11665	19.3
160.97565	2.7
161.05988	3.8
161.09634	2.7
161.13286	5.1
163.11143	9.8
167.10683	3.0
167.14256	2.8
173.01242	10.8
173.11742	100.0
173.13239	6.9
177.00706	21.5
177.12703	5.1
187.11203	3.1
189.11215	18.2
191.02252	21.0
195.13802	41.6
200.02254	2.6
201.00740	3.6
202.98657	9.8
205.06966	2.5
207.13892	2.9
213.14833	36.3
214.03825	5.5
219.01750	6.8
219.13699	3.3
229.19521	2.6
239.17842	3.5
244.99564	16.8
247.20413	4.3
257.19012	11.0
263.00848	7.4
275.20053	83.8
276.20578	3.5
277.14343	2.5
287.09085	8.2
293.21179	18.7
299.61111	2.9
300.09705	3.7
306.06415	3.7
315.07205	12.1
326.57803	4.3
328.12610	3.2
328.25549	3.3
346.13528	5.5
347.05484	3.0
347.22327	3.0
361.05420	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	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30274	1.0
53.03938	1.1
55.01873	1.4
55.05496	2.8
55.25060	0.9
57.03422	1.8
57.07051	1.1
65.03944	1.7
67.05495	3.8
69.03446	1.6
69.07058	3.1
71.63264	1.8
79.05493	3.4
81.03411	1.4
81.07055	8.7
83.04971	1.6
83.08637	1.9
83.37364	1.0
84.32080	1.0
85.02900	2.0
85.06538	3.6
91.05468	4.4
93.07047	3.5
94.04190	3.2
95.04958	1.8
95.08605	7.1
97.02902	1.0
98.39345	1.0
98.97578	1.2
99.04444	1.1
103.05470	9.2
105.07048	5.0
107.04950	2.2
107.08600	2.8
109.02837	1.3
109.06485	1.7
109.10149	2.9
111.04446	5.6
111.08112	1.2
117.07050	2.7
121.06509	4.3
121.10134	1.4
122.03647	8.9
123.04411	2.0
123.11664	2.0
128.06218	1.2
129.05420	1.1
129.06995	1.5
131.04927	12.0
133.06485	17.7
133.10139	1.7
135.08055	7.3
135.11739	1.7
137.05971	100.0
138.06335	2.1
139.03882	3.2
140.07072	2.7
145.06499	3.5
147.08052	1.3
149.06061	2.4
151.07553	7.0
153.05394	1.3
159.08064	1.6
161.05956	2.3
163.07542	30.0
163.14888	1.5
165.06970	1.2
167.07043	2.4
172.03928	1.7
175.07613	3.9
177.09109	6.0
179.08633	1.8
181.06448	2.4
182.07204	1.3
185.06023	1.7
188.08279	1.9
189.09085	1.7
191.07103	2.8
195.08047	1.8
197.09615	1.4
198.06714	2.7
199.07605	1.8
200.08298	1.3
203.10574	2.0
204.06538	3.1
207.07980	2.6
210.06786	1.5
211.07585	2.5
213.05614	1.8
221.09570	1.6
223.07359	1.3
224.08398	1.3
225.05458	1.9
226.06296	1.9
227.06969	1.5
228.07706	1.2
235.07625	2.0
235.11159	1.2
238.09970	1.7
239.06969	3.7
239.10645	4.2
240.07758	3.2
241.08568	2.1
243.06435	2.8
244.99597	1.1
245.09026	1.1
251.06967	1.7
252.07799	1.9
253.08673	3.6
256.07318	3.5
263.10541	1.4
267.10193	8.3
268.07339	3.8
269.08072	5.3
271.09650	1.5
277.08286	1.1
284.07089	1.3
284.10272	1.4
285.11188	2.3
286.08459	1.4
295.09567	3.8
295.13123	2.3
296.10336	1.8
299.09146	17.7
299.12704	3.1
313.10666	7.5
327.12250	16.5
327.15833	2.7
328.12720	2.2
345.13416	20.3
345.17300	1.1
345.24475	1.2
346.13400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86423	1.0
53.03942	1.0
55.01861	1.5
55.05490	1.8
56.11707	1.0
57.03424	1.6
65.03933	2.5
67.05492	3.6
67.96875	1.1
69.03421	1.6
69.07048	3.3
69.32348	10.7
71.87063	1.0
79.05479	3.6
81.07056	5.8
85.02892	1.6
85.06528	2.7
91.05491	5.0
93.03413	1.7
93.07031	3.7
94.04150	3.3
95.04946	2.9
95.08617	6.2
96.02116	2.3
98.18105	1.0
98.97577	1.8
99.07987	1.1
103.05453	9.6
105.07031	6.8
107.04929	1.7
107.08575	2.4
109.06494	2.2
109.10162	4.0
111.04443	9.5
115.05457	2.0
116.41978	1.0
117.07001	2.3
117.17155	1.1
119.08566	2.0
121.06538	2.3
121.10172	2.4
121.61398	0.9
122.03623	9.7
123.04359	1.7
123.11671	1.5
128.06210	2.0
129.06998	3.0
131.04895	13.1
133.02878	1.4
133.06479	16.1
135.08014	7.7
137.05960	100.0
137.13184	1.1
138.06311	2.4
139.03886	7.3
139.11179	1.2
140.07040	1.3
145.06470	4.6
147.04401	1.2
147.08040	1.6
149.05984	2.7
151.03836	1.3
151.07539	7.0
152.06197	1.2
153.05606	1.3
153.06984	1.9
157.06454	2.4
159.08034	2.8
160.08794	3.1
161.05930	3.1
161.09624	1.9
162.06770	1.4
163.07529	30.7
165.06978	1.9
167.03386	2.9
167.07059	2.0
167.08530	1.9
168.05687	1.9
169.06490	2.2
172.03914	1.7
175.07587	3.7
177.05377	1.0
177.09053	5.9
178.07748	1.4
179.08559	3.1
181.06493	3.5
182.07208	1.9
185.05974	1.3
187.07539	2.1
188.08286	2.8
189.09116	3.3
195.08011	2.9
197.05963	1.7
197.09596	1.3
198.06758	8.7
199.07445	1.9
203.10695	1.3
204.06493	3.1
207.07996	3.9
209.05957	1.9
210.06772	2.1
211.07506	4.0
211.11086	2.2
212.08170	1.1
213.05498	2.9
213.09120	1.6
215.06999	1.2
223.07526	3.7
224.08330	2.6
225.09073	2.9
226.06175	2.3
227.07008	2.9
228.07755	2.1
235.07558	2.5
236.08215	1.6
238.06139	2.0
238.09946	3.6
239.06984	9.5
239.10683	5.3
240.07722	3.2
241.04915	2.5
241.08530	4.8
243.06482	6.1
249.09035	1.2
251.07092	1.6
252.07846	2.2
253.08580	3.5
253.12314	1.6
255.06487	1.7
256.07269	7.9
258.08667	1.5
265.08423	1.4
267.07266	1.8
267.10187	12.1
268.07312	8.9
268.10031	1.7
269.07999	11.1
271.09610	3.2
271.13239	2.1
281.08084	1.9
281.11594	1.7
284.07028	1.4
284.10434	4.4
285.11053	2.6
286.08255	3.1
291.26678	1.9
295.09595	5.5
295.12888	2.2
296.10443	5.6
299.09103	33.7
299.12723	7.0
300.09442	3.0
309.27762	1.4
312.09970	1.2
313.10648	8.4
327.12265	32.3
327.15613	1.2
328.12671	2.3
345.09543	2.7
345.13324	27.5
345.16580	1.1
346.13596	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16958	0.8
51.94292	1.1
52.91414	1.1
55.01877	1.1
55.05503	1.3
57.24873	1.0
65.03951	1.4
67.05492	2.0
69.03426	1.5
69.07040	1.0
69.45243	10.6
73.02914	1.2
79.05497	2.2
81.07050	4.4
84.44803	1.0
85.02895	1.2
85.06524	1.9
91.05464	5.9
93.07051	2.7
95.04994	1.4
95.08609	3.0
98.97591	1.3
103.05458	10.6
104.06580	1.2
105.07036	2.3
107.04951	2.7
107.08614	2.8
109.06494	1.5
109.10151	1.6
111.04447	3.6
115.05480	1.9
116.06248	1.3
117.07039	4.2
121.06526	2.8
122.03617	3.2
123.04416	1.1
123.08050	3.2
123.11720	1.4
129.07069	1.7
131.04926	18.8
133.02809	1.1
133.06444	1.4
135.08076	2.1
137.02417	1.3
137.05971	53.1
138.06273	2.0
139.03859	2.0
140.24977	1.2
143.08543	1.7
145.06497	1.5
147.07933	1.1
149.05994	2.3
149.09647	1.6
149.13271	1.4
151.03914	1.5
151.07547	11.5
159.08040	1.3
160.08789	1.2
161.05957	3.7
162.06764	3.6
163.07535	38.9
165.06982	1.2
165.09137	1.3
166.09528	1.1
167.03430	1.6
167.07062	2.0
167.08421	1.4
171.08041	1.3
175.07568	4.5
177.09096	100.0
178.09399	2.0
178.81573	0.9
179.08528	2.8
181.06479	1.4
185.05957	1.2
187.07617	1.6
188.08318	1.4
191.07016	1.8
193.06577	1.1
195.08179	2.3
195.10187	9.0
197.05901	1.3
198.04831	1.1
198.06766	2.5
203.07176	1.1
203.10724	1.1
204.06439	1.7
207.08029	1.7
211.07484	2.2
215.31229	1.2
221.09792	1.8
221.11662	6.4
223.07645	2.0
224.08304	1.6
225.09117	1.8
227.06969	1.8
238.10101	1.5
239.07057	2.8
239.10704	2.3
241.08594	2.0
243.06520	3.2
251.06914	1.9
252.07675	2.1
253.08604	2.5
255.06613	1.1
256.07346	3.3
267.10178	6.7
268.07330	2.4
269.07993	4.0
270.08463	1.4
281.11630	1.3
285.11115	3.6
286.08325	1.8
295.09698	2.4
296.10471	1.5
299.09164	19.6
299.12781	5.4
309.11215	1.5
313.10727	4.1
327.12280	16.5
328.12485	2.0
345.13254	15.2
345.17017	2.1
345.21405	8.8
346.13507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85418	0.9
51.76437	0.8
53.82701	0.9
55.01881	1.5
56.02790	0.8
63.77957	0.9
67.05492	2.2
68.99776	0.9
69.03403	0.9
70.83094	2.2
79.05482	1.4
81.03430	0.8
81.07056	2.0
90.37511	0.8
91.05469	3.1
93.07027	1.8
94.30106	0.9
95.08582	1.9
97.02886	1.2
103.05468	8.0
105.07007	1.5
107.04911	1.5
109.06503	1.5
109.10152	1.2
111.04427	2.7
115.05466	3.0
117.07033	4.7
119.04928	1.9
121.06510	2.8
122.03627	2.7
122.06036	1.0
123.08070	2.2
127.03861	1.9
128.06169	1.1
131.04927	17.6
133.06487	1.5
135.08000	1.2
137.05975	50.6
140.07037	1.6
144.04489	0.9
145.06465	2.7
149.05963	1.7
151.03868	1.6
151.07527	11.7
153.07005	1.1
161.05959	3.9
162.06718	2.8
163.07541	39.7
165.07007	1.7
171.08037	1.5
172.03917	2.8
175.07603	4.7
177.09106	100.0
178.07750	1.3
178.09424	1.9
181.06456	1.8
191.07068	2.3
192.06630	1.0
193.06483	1.8
195.10161	7.9
197.09608	1.7
198.06657	1.3
203.07008	1.2
203.10616	1.6
204.06560	3.9
207.07924	1.2
210.06856	1.4
211.07545	1.6
213.09158	1.1
221.05977	1.9
221.11700	6.7
224.08276	2.1
225.09082	3.7
227.07039	1.5
234.06810	1.0
235.07542	1.8
238.06271	2.5
239.06912	2.6
239.10686	2.1
240.07895	1.1
241.08589	1.4
243.06499	1.6
252.07945	1.1
253.08635	6.5
256.07315	2.1
267.10217	4.7
268.07275	2.2
269.08020	2.6
281.08096	1.3
285.11246	8.8
295.09583	1.9
296.10397	1.3
299.09094	8.5
299.12634	3.8
309.11197	0.9
313.10666	4.0
327.12256	15.1
327.15939	1.7
345.13235	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
70.87746	1.1
70.88111	0.7
79.05480	1.6
81.07064	0.6
91.05489	3.1
94.04176	3.6
95.04947	1.0
103.05461	9.6
105.07018	5.1
107.04951	1.5
109.06486	1.1
111.04326	0.5
115.05433	1.0
117.06998	1.5
119.04913	1.0
120.05751	0.6
121.06503	2.2
122.03645	9.3
128.06242	0.6
129.07010	0.9
131.04921	10.5
133.06476	18.4
133.52980	0.4
135.08047	5.3
137.05966	100.0
138.06302	1.6
143.08611	0.6
145.06468	3.1
147.08026	1.0
149.05945	1.2
151.07532	5.6
157.06488	1.5
161.05991	0.7
163.07536	32.6
164.07916	1.0
165.09140	0.7
171.08043	0.9
175.07521	1.4
177.09123	0.8
189.09114	1.7
203.10680	1.4
235.11224	0.8
263.10623	1.6
285.11011	0.7
295.13257	2.2
298.03012	0.5
327.12115	0.7
327.15875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53185	0.8
55.01868	1.2
61.93403	0.7
67.05508	1.0
69.03404	1.3
70.10631	0.7
70.90660	2.3
73.02905	0.9
79.05486	1.8
81.07047	1.8
83.00368	0.7
84.85609	0.8
91.05485	3.9
91.97430	0.8
93.44179	0.8
94.04178	3.1
95.04981	2.2
95.08656	1.2
103.05453	10.3
105.07040	5.0
107.04952	1.9
109.06506	1.5
117.07025	1.5
119.04907	1.3
119.08591	1.2
121.06495	3.1
121.12244	1.0
122.03644	7.6
122.06062	1.0
123.08054	1.3
131.04916	13.5
133.06490	14.9
135.08064	5.6
137.05971	100.0
138.06367	1.1
140.07100	1.1
143.08572	1.0
145.06493	2.7
149.06007	2.3
151.07542	7.2
163.07539	34.7
164.07880	1.0
165.06978	1.2
171.08069	1.0
172.04019	1.2
174.06853	0.9
175.07532	3.2
177.09093	21.2
184.39217	0.8
189.09081	1.5
191.07018	1.7
195.10037	1.1
196.63516	0.8
203.10686	1.9
204.06517	1.7
207.79861	0.7
221.11739	1.6
221.38382	0.8
253.89790	0.9
255.06456	1.0
263.10748	1.5
267.10022	1.0
271.99057	0.9
285.11182	1.4
295.09848	1.7
295.13306	2.2
299.09421	1.0
313.10614	2.2
327.12439	1.8
327.15894	1.5
345.09540	1.7
345.13449	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05508	0.8
57.03432	0.6
57.83642	0.6
67.05479	1.6
69.03430	1.3
69.07049	0.8
69.66734	4.5
72.08131	0.5
79.05470	2.1
81.03413	0.9
81.07053	2.1
83.04969	0.9
84.08099	0.6
85.02907	1.5
85.13786	0.6
86.09703	1.2
91.05487	3.3
92.50187	0.5
93.07024	1.4
94.04154	2.9
95.04948	1.4
95.08594	1.2
97.02906	0.8
97.06538	0.7
98.20827	1.0
98.97571	1.9
99.04421	0.9
103.05456	8.8
105.07015	5.9
106.85938	0.5
107.04955	4.0
107.08561	1.0
109.06499	2.0
109.10151	1.9
111.04437	0.6
111.08101	0.6
115.05460	1.6
116.98653	1.1
117.05486	1.6
117.06992	1.1
119.04973	0.9
119.08556	1.0
121.06496	2.4
121.10137	2.2
122.03642	8.7
122.06004	0.9
123.04423	0.6
123.08089	1.3
123.11662	0.6
128.06197	1.0
131.00189	0.7
131.04926	8.9
133.05460	0.9
133.06485	17.8
135.08035	6.1
135.11636	0.6
137.05968	100.0
137.09573	1.9
138.06357	2.1
140.07057	1.3
145.06485	3.0
147.08046	1.1
147.11607	0.8
149.06001	1.5
151.03932	1.8
151.07544	4.4
153.05479	1.2
157.06487	0.9
161.05942	1.7
163.07536	27.6
165.09094	3.5
165.12753	0.9
167.07091	1.0
171.07991	0.9
172.03932	2.5
174.06779	0.9
175.07503	2.0
177.09109	1.1
179.07027	1.0
181.06430	0.9
183.10207	3.3
183.13777	3.8
187.07439	1.0
189.09140	2.7
191.07013	1.0
203.10658	1.6
204.06516	2.7
210.06650	1.0
214.16267	0.8
225.09067	1.1
235.11333	1.0
253.08551	1.9
263.10614	1.2
281.07938	0.7
285.11188	2.6
295.13333	2.1
309.10898	0.7
313.10883	0.9
327.12259	2.1
327.15851	1.2
345.07407	1.3
345.13583	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.4
57.03412	0.7
61.02913	0.6
61.84775	0.4
67.36755	0.4
69.03421	1.4
69.07066	0.5
70.06580	0.7
70.42131	0.4
70.81637	0.9
72.08146	1.5
73.02904	0.9
79.05495	0.4
81.03393	0.7
81.07040	0.6
83.04967	0.4
84.08126	0.6
85.02910	2.7
86.03199	0.8
91.05455	1.3
94.04179	0.8
95.04961	0.8
95.08595	0.5
95.95063	0.4
97.02858	1.0
98.97569	0.7
103.05499	0.6
104.47774	0.4
105.07030	0.6
107.04939	1.0
109.02881	0.7
116.07084	0.9
116.98642	0.8
119.04919	1.4
119.07362	0.5
120.05266	0.8
122.03613	1.1
123.04453	0.5
124.67831	0.4
127.03923	1.0
128.07071	0.8
131.04906	1.2
133.10139	0.5
133.43643	0.4
137.05963	17.4
138.06297	0.6
138.09143	1.2
140.07034	0.8
141.05809	0.4
145.04939	0.5
147.04419	4.0
148.04739	5.6
149.05963	0.8
151.03925	0.5
157.46161	0.4
161.05991	0.7
163.05980	0.6
165.05495	2.8
165.08908	2.4
165.10210	0.8
166.05827	3.4
166.08601	0.8
167.07101	0.7
167.08839	0.5
172.99112	0.4
181.06487	0.5
183.06393	0.6
183.09895	1.2
183.11307	3.2
184.09659	0.5
191.07063	1.6
203.05295	2.8
223.07539	0.5
225.09209	0.6
248.08238	0.5
251.06975	0.4
277.08575	0.6
285.11249	0.7
286.06934	0.4
295.09558	0.4
299.09995	0.5
299.13834	0.7
309.11215	0.5
313.10846	1.4
314.68402	0.4
319.23376	0.4
327.09540	1.1
327.13943	0.9
345.15173	100.0
346.15720	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.74442	1.1
55.01862	3.1
55.05469	1.1
56.05015	1.3
56.96560	14.7
57.03439	7.5
61.02924	6.2
69.03423	13.2
70.06588	3.0
70.42918	4.0
71.01337	1.4
71.04988	1.9
72.08146	1.3
73.02911	12.9
74.02451	1.8
75.71342	1.1
77.61021	1.1
79.05492	1.4
80.04957	1.1
81.03413	5.4
81.07049	1.2
84.04478	1.9
84.08139	2.1
84.96012	3.2
85.02899	22.1
86.03236	1.2
87.04469	2.4
91.03909	1.6
91.05473	2.0
97.02885	11.7
98.03174	1.2
98.97572	14.0
99.04445	3.3
100.02217	1.4
107.04934	1.5
109.02859	4.3
110.97555	3.5
111.04446	1.2
115.03911	1.6
116.98615	11.3
119.04951	2.1
119.07303	1.8
121.03973	2.8
123.04445	1.6
127.03915	6.8
128.98566	4.9
129.05458	1.6
131.00148	3.1
131.04964	1.0
133.01700	1.6
134.99609	7.3
136.03940	1.3
136.07542	2.1
137.05931	5.0
138.05508	3.7
139.03867	1.3
144.98109	1.2
145.01685	2.3
145.02725	1.8
145.04993	3.2
146.02654	1.8
146.99632	5.0
147.04416	2.3
148.03915	29.8
149.01202	3.6
151.02795	1.3
152.06175	1.9
153.06973	3.6
155.08218	1.5
158.99619	6.9
161.01198	4.3
165.00752	1.7
165.05612	1.7
165.06898	9.3
166.04991	68.6
166.07544	2.5
167.08557	32.4
169.06433	1.3
170.05130	2.4
170.99654	1.5
171.08015	6.5
175.02754	15.5
177.00702	10.9
177.04301	2.0
177.05592	2.0
177.06964	17.1
178.07767	13.8
179.02312	1.8
179.08516	7.2
181.06485	3.5
181.10147	2.7
183.07828	5.4
184.06050	62.2
185.09573	1.9
186.99280	2.1
189.00740	3.0
189.04379	1.8
190.07689	2.0
191.06918	2.2
191.08533	31.1
192.08908	1.4
193.03810	8.9
193.06535	1.3
193.08575	1.5
193.10133	12.5
193.99153	1.1
194.07278	3.7
194.09630	2.3
195.08043	34.9
197.09604	2.6
198.04405	2.1
199.07504	4.8
201.00716	5.0
202.07726	6.5
203.02243	2.6
203.08571	7.6
205.05362	2.6
207.07976	6.2
208.08821	6.6
208.10660	1.1
209.09627	9.9
212.10663	11.9
214.06017	2.8
217.08861	2.6
218.07307	2.4
218.09607	3.5
219.01770	17.0
219.08017	46.3
220.08659	3.3
221.09634	22.1
222.09113	2.5
223.07506	21.1
224.10654	2.0
225.09161	10.3
227.06943	7.1
229.07614	1.4
235.07300	1.6
236.10669	46.6
237.02803	13.8
237.09081	6.2
237.11211	2.1
238.09828	2.0
238.12242	41.5
240.10173	48.8
241.08554	6.6
241.10680	2.3
242.07246	1.4
247.07526	5.2
249.09196	2.4
251.07014	6.5
253.13333	32.4
254.11717	31.2
264.06070	2.5
264.10220	4.7
265.08563	31.8
267.10196	4.0
269.08020	14.9
280.10233	1.4
282.11230	74.8
283.04654	1.3
283.11740	2.4
284.12775	4.4
286.10699	8.8
293.08038	2.2
295.06949	1.5
299.13882	59.3
300.12225	31.4
301.05838	1.6
311.09207	10.4
327.03860	4.8
327.49249	1.1
328.11768	100.0
329.12042	3.6
340.90515	1.2
345.05170	2.0
345.11331	9.8
345.14758	47.6
346.12283	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	345.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03426	0.6
60.15998	0.5
65.03941	0.9
67.05484	2.4
68.05010	1.0
69.03413	1.2
69.07061	5.2
69.74170	4.3
79.05475	1.2
80.04990	1.0
81.07040	1.2
89.03925	0.9
91.05466	1.2
93.05777	0.7
93.07028	0.8
94.06556	13.7
95.04958	2.7
95.08588	0.7
96.15250	0.6
98.21465	1.2
100.77775	0.5
107.04929	1.0
108.08070	1.4
110.06038	1.8
112.02752	0.6
112.07585	2.2
116.04959	4.9
119.08549	0.6
121.06493	0.6
121.10135	0.8
122.06022	28.4
123.04428	1.1
124.07550	0.7
129.89799	0.5
131.04918	1.1
133.06477	0.6
133.10114	0.6
134.05984	0.8
137.05963	9.4
140.07057	38.9
141.07803	0.6
144.04439	13.2
146.06009	7.6
146.97229	0.6
148.07645	0.7
149.05931	0.6
151.07552	1.1
159.08017	0.9
161.05934	3.4
162.05519	6.6
162.06741	1.2
163.07547	2.1
167.07008	1.9
172.03922	57.6
173.04236	1.6
173.83855	0.5
174.05536	3.6
175.07442	0.8
177.09117	1.3
177.16335	1.2
178.08560	1.3
189.08975	0.6
190.04980	1.4
191.07008	1.6
193.06448	0.6
204.06543	100.0
205.06813	2.8
206.08122	19.9
207.08339	0.8
210.06702	1.2
221.05980	1.7
223.07645	0.6
225.09062	2.0
238.06271	0.8
253.08678	3.3
265.34015	0.6
267.10129	1.3
270.08771	0.7
285.11136	5.2
299.09079	1.4
299.12433	0.6
300.12302	2.2
309.11200	1.3
313.11554	2.7
327.12308	6.2
328.12161	0.6
331.12854	3.8
345.13904	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49324	0.4
55.01859	0.7
55.05504	0.9
57.03434	0.8
57.07047	0.4
57.25499	0.3
60.22163	0.3
65.03932	0.9
67.05508	3.4
68.05021	0.7
69.03421	2.1
69.07063	6.6
69.59625	2.9
79.05488	1.5
79.68547	0.3
80.05002	0.7
81.03417	0.6
81.07052	4.6
83.04955	1.0
83.08640	0.4
84.08153	0.4
85.02892	2.6
85.06530	1.3
89.03922	1.0
91.05477	1.1
92.48799	0.4
93.05773	0.8
93.07020	1.2
94.06562	13.3
95.04951	3.1
95.06889	0.4
95.08589	1.4
97.02883	0.8
97.06520	1.0
98.06015	0.4
98.21468	0.7
99.04459	0.9
99.08095	2.1
103.05458	0.3
105.06999	1.0
107.04946	0.9
107.08591	1.2
108.08112	1.5
109.06506	1.2
109.10181	0.7
110.06051	1.7
111.08080	0.6
112.07611	2.3
112.76434	0.4
116.04971	5.5
117.05497	0.9
118.06550	0.7
119.08587	0.4
121.06485	1.0
121.10112	2.6
122.06024	27.4
123.04415	1.4
123.08040	0.7
123.11679	1.0
125.09594	1.5
127.03921	0.5
127.07578	0.6
134.06009	0.6
137.05974	3.4
137.09612	0.7
139.11194	1.7
140.07057	38.7
141.07765	0.7
144.04436	13.3
145.04874	0.8
146.05998	9.3
147.06775	0.4
147.08067	0.4
147.11696	0.6
148.07486	1.0
149.05956	1.3
151.03960	0.3
151.07495	0.5
153.05400	0.4
154.08649	0.5
160.03983	0.5
161.05928	2.9
162.05484	7.1
163.06146	0.4
163.07538	0.5
165.06990	1.1
165.09135	0.6
165.12718	1.0
167.06978	0.5
169.12251	0.4
172.03925	57.8
173.04343	1.8
174.05510	3.0
177.09059	0.5
178.08693	0.7
179.07021	0.6
179.08641	0.8
182.07346	0.4
183.10327	1.7
183.13795	23.0
190.04916	1.7
192.06583	0.6
193.06480	1.3
203.07025	1.5
204.06549	100.0
205.06937	3.0
206.08110	20.1
206.10101	0.7
207.08195	1.1
210.06699	1.2
221.05945	1.4
224.08322	0.5
225.09132	1.8
234.06548	0.5
237.05534	0.5
238.06169	0.7
252.07782	0.6
253.08495	3.0
255.06526	0.5
255.09753	0.3
267.10220	0.7
269.58923	0.5
270.08728	0.5
277.08801	0.7
285.11224	6.7
295.09583	1.1
300.12311	1.9
306.11002	0.4
306.15057	0.5
309.11230	1.1
313.11664	2.3
327.12308	6.0
328.12430	0.8
331.12817	3.3
345.09879	0.6
345.14282	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57936	0.4
53.03946	0.5
55.00452	0.3
57.03422	0.6
64.82770	0.4
65.03928	1.1
67.05504	3.1
68.05014	1.1
69.03422	0.6
69.07065	5.0
70.20683	1.6
75.08202	0.3
77.82658	0.3
79.05480	1.4
80.05012	0.9
81.07052	0.9
84.08136	2.4
85.02892	0.7
86.09674	0.5
89.03903	1.1
91.05450	0.9
93.05781	0.5
93.07027	0.6
94.04203	0.5
94.06559	15.2
95.04958	2.6
95.08607	0.6
96.04479	0.5
97.06531	0.8
98.06055	0.4
98.97588	0.7
105.07047	0.4
107.04934	0.8
107.08555	0.4
108.08080	1.5
109.06553	0.5
109.10136	0.4
110.06024	2.2
112.07594	1.8
115.05431	0.5
116.04970	4.4
118.06480	0.6
119.08614	0.4
122.03615	1.1
122.06023	26.3
123.04421	1.5
124.07569	0.5
130.08665	0.7
131.04930	0.8
134.05957	1.0
136.07573	0.4
137.05966	15.0
138.06247	0.4
140.07054	38.1
141.07852	1.0
144.04436	13.6
145.04926	0.7
146.05995	9.4
147.11324	0.5
148.07570	0.7
153.05406	1.0
160.03951	0.4
160.76491	0.4
161.05984	0.8
162.05493	7.7
163.06277	0.4
163.07594	0.6
165.06999	0.6
167.07062	0.7
172.03925	57.3
173.04271	1.7
174.05518	3.6
175.07552	0.9
177.05486	0.5
178.08636	1.5
179.08549	0.4
181.12288	0.5
183.13756	0.4
189.04118	0.4
190.04973	1.9
191.07021	0.5
193.06503	0.5
203.07071	0.5
204.06548	100.0
205.06947	3.0
206.08115	18.4
207.08241	0.7
220.08638	0.4
221.05872	0.4
225.09027	1.0
235.07471	0.4
244.99765	0.5
253.08559	1.1
267.10147	0.9
277.08496	0.6
285.11230	2.0
295.09644	0.7
300.12244	1.6
309.11188	0.5
313.11862	2.2
327.12930	2.4
331.12918	2.9
345.06302	0.6
345.14355	4.8
345.23898	0.9
346.08801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07540	0.6
62.72068	0.6
64.35841	0.5
65.03926	0.7
67.05500	2.7
68.05024	0.6
68.29413	0.5
69.03409	1.2
69.07069	3.6
71.58287	0.8
79.05476	1.1
80.05035	0.8
81.07063	0.9
84.08128	0.6
85.02889	1.0
89.03880	0.9
91.05471	1.2
93.07034	0.7
94.06564	12.0
95.04964	2.5
96.04484	0.7
105.07010	0.7
107.04953	1.8
108.08111	2.3
109.02875	0.6
109.06543	0.8
109.46932	0.6
110.06033	1.4
112.07605	2.1
115.05420	0.8
116.04977	5.5
118.06540	0.8
121.06484	0.6
121.10114	0.9
121.68875	0.5
122.03634	1.3
122.06027	26.6
123.04391	1.8
123.06361	0.6
126.36526	0.6
127.03893	1.1
127.65035	0.5
131.04948	0.7
133.06561	0.6
134.05988	0.9
137.05981	14.1
140.07060	36.9
141.07814	0.5
144.04430	10.2
145.05014	0.5
146.04944	0.9
146.06013	8.4
148.07564	1.0
149.05981	0.6
161.05978	1.5
162.05519	7.0
165.05544	0.6
167.07057	0.6
172.03932	53.0
173.04297	2.0
174.05496	3.6
175.07555	0.6
177.09058	0.7
178.08705	0.9
183.10165	1.5
190.05000	1.5
191.07059	0.9
202.10757	0.7
204.06554	100.0
205.06906	4.4
206.08122	18.8
207.08348	1.2
221.07967	0.6
225.09204	0.8
253.08531	1.1
264.42090	0.6
285.11285	1.8
296.49512	0.7
300.12262	1.8
301.12427	0.8
309.11282	0.6
313.11697	1.7
315.39148	0.6
327.12952	1.6
331.12900	3.2
345.06409	0.7
345.07184	0.9
345.10648	4.3
345.15250	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	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01869	1.6
55.05489	1.8
55.51281	1.0
59.04992	1.0
64.76681	1.2
65.03930	4.8
65.16599	1.1
67.05476	2.4
69.03422	2.1
69.07046	3.5
69.61057	5.9
69.61462	3.2
71.04986	1.3
79.05493	2.3
81.03403	1.7
81.07047	5.9
83.04968	1.5
85.02907	2.7
90.64879	1.0
90.92548	1.1
91.05453	3.7
93.07028	2.8
95.04976	2.2
95.08579	3.2
96.02082	5.5
97.02869	1.4
98.97540	2.2
105.07060	2.6
107.01324	2.6
107.04956	2.6
109.10126	1.8
111.04434	28.3
111.05187	1.9
115.05381	1.6
116.98576	1.6
117.07011	2.4
119.08601	1.6
121.06531	2.3
121.10134	1.9
122.03638	1.7
123.04417	1.8
123.11694	2.5
128.06223	2.2
129.06982	3.2
131.04898	3.3
131.08543	1.3
133.02840	1.8
133.06471	1.5
137.02333	1.4
137.05969	17.7
139.03885	17.3
141.06934	1.8
143.04886	1.3
143.08540	1.4
144.04524	1.6
144.05679	2.6
145.06459	4.6
145.10191	1.4
147.04454	1.7
147.11644	1.2
151.03885	1.8
152.06143	2.2
153.05446	5.3
153.06970	5.2
155.04922	1.7
155.08592	1.6
157.06471	4.4
158.07251	1.5
159.08031	5.6
160.08856	5.6
161.05977	6.9
161.09621	3.7
162.06699	1.8
163.07561	1.8
165.06960	6.1
165.09081	1.6
167.03375	5.2
167.04729	1.2
167.07199	1.7
167.08600	3.8
168.05701	5.0
169.06480	4.8
171.08054	3.4
172.03883	1.9
173.05962	2.1
175.07556	4.2
178.07739	4.1
179.08546	7.3
181.06409	8.1
182.07213	4.2
183.04355	1.2
183.08040	6.1
184.08759	2.3
185.05957	6.9
185.09567	3.5
186.06599	1.4
187.07512	4.8
188.08275	9.8
189.09044	4.2
191.06960	2.2
193.06485	1.2
195.08009	7.5
196.05196	4.0
196.08745	3.9
197.05963	6.0
197.09523	1.8
198.06757	19.2
199.07503	3.4
200.08290	3.3
204.06543	3.5
205.06577	2.4
206.07269	2.4
206.09262	1.6
207.04378	1.3
207.08076	7.5
208.08772	2.8
209.05920	6.0
209.09512	1.4
210.06752	4.0
211.07545	12.5
211.11134	5.4
212.08324	2.2
213.05492	8.1
213.09102	4.4
215.07022	3.4
219.07925	1.6
221.05997	2.3
221.09642	5.7
222.10408	1.7
223.03893	1.2
223.07501	8.8
224.04684	2.9
224.08298	8.0
225.05455	4.1
225.09062	6.1
226.06224	6.8
227.06993	4.7
227.10712	1.9
228.04309	1.7
228.07797	5.7
234.06792	3.2
235.07497	4.1
236.08298	3.2
237.05458	2.2
237.09088	3.6
238.06256	4.0
238.09865	10.1
239.07024	29.2
239.10645	17.1
240.07780	12.9
241.04961	5.9
241.08545	14.0
243.06517	14.1
243.10233	1.6
249.09062	3.8
251.07014	3.3
252.04256	1.7
252.07768	4.5
253.04958	2.5
253.08621	10.9
253.12286	4.6
254.05829	2.4
254.09030	2.0
255.06480	5.2
255.10155	2.0
256.07294	18.2
256.10883	4.0
257.07941	2.4
258.08804	3.3
265.08615	1.9
266.09332	2.6
267.06580	4.8
267.10141	36.9
268.07315	23.1
268.10635	4.4
269.08041	31.9
270.08594	2.9
271.06323	1.8
271.09613	7.9
271.13068	6.7
277.08612	1.6
281.08084	6.9
281.11710	4.8
283.09549	1.1
284.06778	6.0
284.10394	10.5
285.07550	5.3
285.11081	3.3
286.08405	7.9
289.10617	3.1
291.23145	1.2
295.09637	13.1
296.10352	11.0
297.11191	1.8
299.09198	100.0
299.12750	18.2
300.09482	6.6
309.11252	1.7
312.09927	2.4
313.10706	20.6
314.10916	2.9
317.10281	2.3
317.13797	3.1
327.12253	97.5
328.12714	5.9
345.09808	4.8
345.13312	69.0
345.20404	2.5
346.13623	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.01863	1.4
56.58707	0.6
60.43694	0.7
62.81936	0.7
65.03931	0.9
69.68836	3.8
70.01443	0.7
70.80228	0.7
74.06717	0.7
79.05466	1.5
79.86787	0.8
81.07029	1.3
85.67165	0.7
91.05468	2.9
93.07043	0.8
95.65044	0.8
103.05468	2.1
105.06996	1.2
107.04935	2.5
107.08619	0.9
109.06500	2.3
111.04397	2.0
115.05428	3.9
117.07051	0.9
118.04160	1.0
119.04888	1.1
121.06512	4.9
122.03646	2.6
123.04366	1.3
125.05979	1.2
131.04881	2.2
133.06464	2.3
134.03552	1.1
135.08000	1.4
137.05969	35.5
140.07101	1.3
143.04907	4.0
145.06465	1.0
146.03622	2.4
149.05975	6.5
149.19521	0.8
151.03864	0.9
151.07520	2.7
153.05461	4.3
153.06720	0.7
160.05206	1.6
161.05975	41.0
162.06447	1.4
163.07515	4.9
165.07013	11.8
166.07736	0.9
167.08536	2.4
172.03876	0.9
175.07565	6.7
177.09143	2.7
178.07813	0.8
179.07002	2.6
179.08542	3.7
181.06442	2.2
182.07286	6.1
183.07918	0.9
188.04660	5.5
189.06964	1.4
191.06961	3.1
193.06477	16.4
194.07152	2.1
195.08075	2.2
196.08804	2.7
197.05887	1.6
197.09633	4.1
197.11243	1.0
199.07411	1.4
203.07024	17.4
204.06602	2.8
205.08546	2.0
207.08107	4.3
209.06013	2.7
210.06737	16.8
211.07497	4.3
217.06429	0.9
220.05186	1.1
221.05989	24.9
221.08043	2.4
222.06471	4.0
223.07549	2.2
224.08331	6.5
225.05717	1.4
225.09090	30.1
226.09608	2.0
227.07025	4.2
227.10559	0.9
234.06757	2.1
235.07532	4.7
237.05414	1.9
237.09074	0.9
238.06248	12.9
239.06892	3.2
239.10663	3.9
241.08530	1.7
242.09317	1.2
245.06021	0.8
249.09172	4.1
251.06981	1.8
252.07813	7.0
253.08578	55.4
254.09088	4.1
255.06523	4.8
266.09146	1.3
267.10141	17.2
267.12778	1.3
268.10544	0.9
269.07950	1.0
270.08865	5.1
277.08621	6.2
280.07263	2.0
281.11609	0.9
283.09851	0.9
285.11194	100.0
286.11557	5.7
294.08826	2.8
295.09586	8.1
296.09891	1.0
299.12701	2.0
309.11224	13.6
310.11371	0.8
312.09891	1.1
313.10635	2.5
327.12250	87.7
328.12585	4.9
345.13351	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	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.00180	1.2
55.05490	1.4
65.03941	6.7
65.04234	1.6
69.07056	3.7
70.89791	1.5
70.90120	3.2
72.54565	1.3
81.07040	4.4
91.05474	1.6
93.03408	3.2
93.07020	1.9
95.08605	4.1
96.02103	4.8
98.20904	1.4
107.01311	2.9
107.08567	1.7
111.04427	23.8
121.06518	1.8
121.10149	1.6
122.34079	1.3
123.04424	2.2
128.06213	2.3
129.07011	3.5
137.05981	4.2
137.13245	1.7
139.03879	16.5
141.06961	2.0
144.05600	1.9
145.06464	4.5
153.05496	2.4
153.06967	3.3
157.06465	3.6
159.08043	5.7
160.08813	4.3
161.05966	6.8
161.09674	2.1
162.06679	1.6
165.07030	3.1
167.03412	8.0
167.08586	2.7
168.05690	4.5
169.06496	2.7
175.07613	3.0
178.07710	2.0
179.08527	6.2
181.06560	7.1
182.07155	3.1
185.05952	3.9
187.07547	4.0
188.08331	6.6
189.09105	2.7
195.08046	6.2
196.05217	4.2
196.08849	3.5
197.05946	2.9
197.09694	2.2
198.06735	20.4
199.07535	3.4
200.08337	3.3
206.07228	3.0
206.09401	1.7
207.08022	5.5
208.05165	1.6
208.08757	1.8
209.06032	3.6
210.06770	3.9
210.10359	2.3
211.07542	11.9
211.11256	4.1
212.08369	1.8
213.05574	7.6
213.09146	4.8
219.08173	1.7
221.09654	4.0
223.07539	4.6
224.08287	8.1
225.05518	2.8
225.09125	3.2
226.06265	3.3
227.06915	7.4
228.07880	4.1
228.11375	1.6
234.06718	2.5
235.07547	4.4
236.08330	3.9
237.05470	2.3
237.09134	1.8
238.06177	2.2
238.09833	8.7
239.07010	24.1
239.10626	13.7
240.07803	6.5
241.04916	5.8
241.08549	11.4
243.06534	15.9
249.09052	3.3
251.07001	2.5
252.07846	3.8
253.05212	1.8
253.08556	9.7
253.12485	6.4
254.05385	1.6
255.06506	3.7
255.10135	2.1
256.07318	15.0
256.10934	2.5
257.07965	3.2
263.51974	1.5
266.09268	2.3
267.06964	2.7
267.10147	32.7
268.07288	23.9
268.10843	4.8
269.08020	25.8
270.08612	2.1
271.09827	8.0
271.12949	7.4
274.92902	1.3
281.08032	3.9
281.11664	3.9
283.09625	1.6
284.06815	6.1
284.10410	10.5
285.10864	2.2
286.08264	8.8
295.06561	1.4
295.09506	8.7
296.10419	10.4
299.09146	95.4
299.12766	20.2
300.09576	7.1
309.11050	1.7
313.10696	18.9
317.13803	3.3
327.12247	100.0
328.12589	5.4
345.13324	70.1
346.13684	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01844	2.4
55.05499	4.1
65.03929	5.1
66.74531	1.5
67.05495	1.9
69.03436	2.1
70.92146	4.7
79.05473	3.1
81.07043	4.1
83.04952	2.7
83.08584	1.8
85.02892	3.0
91.05460	4.5
92.45627	1.5
93.03393	2.6
93.07046	1.5
94.04159	2.4
95.04926	3.0
95.08606	3.5
96.02107	5.6
103.05448	7.1
105.07026	4.2
107.01307	2.1
107.04973	2.3
109.10152	3.7
111.04440	26.7
117.07005	2.9
119.04900	1.7
121.06488	3.9
121.10072	1.9
122.03609	5.3
123.04396	2.0
123.11732	2.1
128.06169	1.8
129.06970	4.7
131.04941	10.4
131.08653	1.7
133.06520	12.2
135.08051	7.8
137.02344	3.3
137.05968	89.8
139.03880	15.4
143.04965	2.7
144.05695	3.3
145.06479	6.5
147.08089	1.9
151.07520	4.0
153.05452	3.5
153.06978	4.3
155.04915	2.3
155.08580	2.2
157.06503	6.3
159.08066	6.5
160.08809	5.4
161.05983	5.2
161.09598	3.5
163.07536	25.1
164.08203	1.7
165.07022	3.9
165.09161	1.7
167.03426	5.8
167.08623	3.9
168.05685	4.1
169.06445	3.2
170.07240	2.2
171.08026	2.6
173.05959	2.9
175.07500	3.5
177.09120	3.4
178.07791	3.0
179.08553	7.6
181.06505	8.9
182.07216	2.1
183.08032	4.7
184.04994	2.4
185.06015	5.8
185.09618	2.3
187.07600	4.4
188.08260	8.7
189.07005	1.6
189.09094	3.8
195.08011	7.4
196.05229	4.6
196.08858	4.9
197.05980	4.4
197.09592	2.6
198.06778	21.1
199.07518	3.9
200.08290	4.2
206.07286	4.1
207.08066	9.2
208.08882	2.5
209.05922	4.3
209.09549	1.6
210.06694	3.5
211.07466	10.9
211.11000	3.4
213.05522	8.6
213.09085	6.3
215.06970	2.3
221.09547	6.2
223.07465	6.5
224.04704	3.3
224.08356	7.9
225.05458	5.0
225.09094	5.4
226.06227	7.3
227.06996	6.1
228.07820	5.1
234.06819	2.0
235.07555	7.1
236.08041	2.5
237.05455	2.4
237.09073	2.3
238.06177	3.2
238.09926	10.0
239.07030	26.1
239.10599	16.6
240.07776	12.1
241.04950	6.8
241.08650	14.7
242.09024	1.8
243.06497	15.6
249.09047	4.4
251.07004	3.0
252.04185	2.9
252.07887	6.4
253.04880	3.0
253.08601	15.0
253.12209	4.4
254.05872	2.2
255.06511	5.0
256.07318	20.7
256.11050	3.2
257.08029	2.7
258.08908	2.6
266.09399	2.4
267.06577	7.1
267.10159	32.9
268.07315	27.4
268.10382	3.4
269.08047	32.9
270.08728	2.7
271.06161	2.3
271.09628	8.9
271.13217	5.5
281.08020	5.2
281.11700	4.3
283.09668	2.7
284.06726	7.7
284.10410	12.4
285.11111	4.9
286.08475	7.4
295.09683	12.2
295.12613	2.1
296.10468	15.8
299.09204	100.0
299.12775	17.5
300.09479	5.1
309.11099	2.5
312.10062	2.2
313.10681	20.3
317.13751	2.7
327.12262	88.5
328.12656	2.3
345.09973	2.6
345.13324	70.5
345.16931	2.5
346.13419	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	3',8-Dihydroxy-4',6,7-trimethoxyisoflavone
Peak:m/z	Relative Intensity
50.98379	0.2
51.40915	0.2
55.01842	0.2
56.10432	0.2
60.39425	0.3
65.03939	0.2
67.05452	0.4
68.99790	0.3
69.51460	0.6
69.51862	2.3
79.05492	0.5
81.07025	0.6
85.06509	0.3
91.05450	0.4
93.03418	0.4
93.07022	0.5
94.04155	0.4
95.04939	0.3
95.08588	0.4
96.02116	0.3
97.02904	0.3
107.04921	0.5
107.08547	0.3
109.10132	0.5
111.04408	0.8
115.05424	0.6
122.03608	0.6
125.05977	0.8
128.28891	0.3
129.07018	0.5
131.04868	0.6
133.02856	0.5
135.04422	0.4
137.05965	12.9
138.03110	2.1
139.03894	0.4
139.05339	0.3
140.06238	0.5
141.06961	1.0
143.04909	0.7
151.03860	0.6
151.07599	0.4
152.06187	0.5
153.05457	5.3
153.06793	0.6
157.06421	0.6
161.05984	0.5
163.07520	0.4
165.09161	0.4
167.07048	0.3
168.05713	1.6
169.06477	1.8
170.07065	0.3
171.04388	2.1
175.07585	0.4
175.14801	0.3
179.03326	0.5
181.06435	0.8
182.03650	0.6
182.07117	0.5
183.04411	0.7
183.07983	0.3
184.05161	0.6
185.05981	1.5
186.06755	1.1
191.07002	0.5
195.04402	0.6
195.08093	0.5
196.05147	2.2
197.05945	3.2
198.06747	1.4
199.03867	2.7
203.06990	0.6
205.04918	1.7
209.05850	0.8
210.03075	0.9
210.06787	0.3
211.03793	0.6
211.07503	0.9
212.04715	0.6
213.05391	3.2
213.08978	0.7
214.06215	4.8
215.07047	0.5
216.04315	0.5
224.04674	2.0
224.08131	0.4
225.05446	3.8
226.06223	1.6
227.03336	4.1
227.06793	1.4
228.04245	0.5
228.07845	0.5
229.04939	1.1
229.08517	1.7
230.05688	0.7
231.06494	1.7
235.07504	0.3
237.05467	1.2
238.02571	0.7
238.06288	0.4
239.03354	0.6
239.07025	1.0
240.07782	0.4
241.04938	3.1
241.08638	0.7
242.05719	14.1
243.06418	2.6
244.03688	0.5
245.04329	0.4
251.07004	0.4
252.04179	0.9
253.04964	4.2
253.08847	0.5
254.05643	1.8
255.02885	1.9
255.06525	1.0
256.07315	1.4
257.04260	0.4
257.05438	0.4
257.08093	4.8
258.05237	0.5
259.06012	2.5
263.07147	0.4
266.01938	0.4
267.06494	1.1
267.10123	0.5
269.04407	3.1
269.07971	1.3
270.05209	13.0
271.05872	2.0
272.03061	0.9
273.07578	1.1
281.04468	5.3
281.07990	0.9
282.05200	0.6
283.02417	2.8
284.06830	4.2
285.07550	44.6
286.08133	2.9
287.05484	5.8
289.10681	5.3
295.09763	0.7
297.03900	0.5
298.04724	2.5
299.05719	0.6
299.09146	1.5
299.12408	0.4
301.07208	0.3
302.07828	3.3
312.06299	2.0
313.07071	9.0
313.10629	1.0
314.07639	1.1
315.05008	1.8
315.08096	0.4
317.10165	2.9
327.08771	0.3
327.12286	1.5
330.07297	8.6
345.09656	100.0
346.09970	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	Dalspinosin
Peak:m/z	Relative Intensity
53.52142	0.4
55.01862	0.7
55.05501	1.0
56.96559	1.0
57.03407	0.5
57.07064	0.5
61.48819	0.4
65.03922	0.7
67.05495	1.6
68.99805	0.4
69.03415	0.8
69.07050	1.2
71.60531	0.7
79.05476	1.1
81.03387	0.5
81.07052	2.7
83.04961	0.7
83.08586	0.6
85.02879	0.5
85.06538	0.8
91.05469	1.2
93.07034	1.3
95.04944	0.7
95.08585	2.1
97.02858	0.8
97.06501	0.5
98.97562	1.4
100.11227	1.0
103.05467	0.7
105.07010	1.2
107.04964	0.7
107.08579	1.3
109.02901	0.6
109.06499	1.0
109.10151	1.5
111.04457	2.0
115.05447	0.5
116.98595	1.2
119.04946	0.5
119.08578	1.2
120.27224	0.3
121.06474	0.5
121.10136	0.8
122.03645	1.8
123.04390	0.5
123.08128	0.5
123.11664	0.6
125.05947	0.7
125.09599	0.4
128.06233	0.5
130.43016	0.4
131.04868	1.9
131.14830	0.4
133.02821	0.6
133.06403	0.4
133.10104	0.8
134.99655	0.9
135.04440	0.8
135.11646	0.6
137.05968	32.9
138.03127	0.6
139.03908	1.5
141.06961	1.0
143.08557	0.7
145.10156	1.0
147.04359	0.5
147.11639	0.7
149.01204	0.6
149.05998	0.8
149.13240	0.5
151.03876	0.6
151.07550	0.9
151.11195	0.4
153.05446	6.8
153.06804	0.6
157.06458	0.7
158.99574	0.4
159.08051	0.8
159.11696	0.4
160.08797	0.6
161.05954	1.0
161.09610	0.8
163.03851	0.4
163.07521	1.4
164.27100	0.5
165.06952	0.7
165.09143	0.9
167.07062	0.7
168.05754	1.0
169.06445	1.8
171.04369	0.8
171.08031	0.6
172.03880	0.6
175.07498	1.7
175.14812	0.5
177.00618	0.6
177.05531	0.7
179.03430	0.5
179.08568	0.9
181.06470	1.3
182.07307	0.5
183.04410	0.9
185.05966	1.4
187.07510	0.7
188.08351	0.7
191.07040	1.6
191.08560	0.5
193.04993	0.8
193.06534	0.4
195.08075	0.6
196.05185	1.1
197.05913	2.1
198.06720	1.6
199.03917	2.8
199.07510	0.8
201.05423	0.7
203.06996	1.1
203.10637	0.4
204.06544	0.5
205.04982	1.1
206.07169	0.5
207.08031	1.0
209.05988	0.5
210.06721	0.8
211.03999	0.6
211.07581	1.4
211.11075	0.5
213.05417	2.2
213.08934	0.4
214.06192	4.6
215.07018	0.6
223.07597	0.7
224.04643	1.3
224.08330	0.9
225.05507	2.7
225.09100	0.9
226.06291	2.3
227.03427	4.3
227.06895	2.5
228.04031	0.5
228.07863	0.9
229.04953	0.6
229.08574	1.9
230.05743	1.6
231.06534	1.9
234.06711	0.6
235.07397	0.6
238.06244	0.7
238.09761	1.0
239.07063	2.2
239.10612	1.0
240.07703	0.8
241.04977	2.0
241.08662	1.4
242.05711	10.6
243.06470	3.1
244.99704	0.6
245.04517	0.4
251.07210	0.7
252.04227	0.6
252.07780	0.8
253.04967	1.2
253.08508	1.5
254.05611	0.7
255.02859	1.0
255.06448	1.4
256.07208	3.0
257.08044	5.6
258.05170	0.7
259.06015	3.0
263.07275	0.4
263.10571	0.6
265.08517	0.6
267.06476	1.0
267.10132	2.6
268.07318	1.7
269.04895	2.1
269.07645	2.4
270.05191	5.6
271.05930	2.5
271.09558	1.2
272.03058	1.0
272.07944	0.8
273.07629	1.4
274.05099	0.5
274.08319	0.9
277.08514	0.6
281.04462	4.1
281.07611	0.6
283.02377	2.9
283.05655	0.7
283.09280	0.5
284.06805	4.6
284.10028	0.8
285.07574	31.5
285.10977	1.8
286.08432	2.2
287.05453	5.4
289.10681	11.7
290.11063	0.6
295.06244	0.5
295.09631	1.3
298.04871	0.8
299.05685	0.5
299.09152	7.1
299.12683	1.4
302.07764	2.4
309.11362	0.5
312.06293	3.3
312.09598	0.7
313.07016	5.2
313.10684	4.5
314.07776	0.9
315.04974	1.4
317.10208	3.7
327.08575	1.0
327.12189	5.9
328.12500	0.5
330.07318	7.5
345.09662	100.0
345.13275	8.2
346.09995	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.01871	0.7
55.53764	0.4
57.03437	0.8
60.56301	0.4
61.02926	1.3
64.75871	0.4
65.03936	0.4
66.72619	0.4
69.03425	3.2
70.08985	1.5
70.09395	0.8
71.04987	0.6
81.03414	1.1
85.02898	17.3
91.03965	0.9
91.05462	2.7
97.02882	4.1
109.02882	1.6
119.04932	13.6
123.04426	2.2
127.03883	3.3
137.05901	0.5
145.04964	4.2
147.04395	100.0
148.04718	1.3
163.05998	0.9
165.05460	66.5
166.05785	1.2
180.08661	2.2
182.08066	2.0
249.07503	0.5
309.09622	0.5
344.13342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01862	3.6
56.96554	7.9
57.03181	2.9
57.03438	39.6
59.04988	2.1
61.02925	20.0
67.05506	2.0
69.03074	2.2
69.03432	40.6
70.03729	2.7
71.01340	3.9
71.04979	5.8
71.59586	2.7
71.67130	1.8
73.02917	82.8
75.04444	2.2
76.07626	5.8
81.03412	11.6
81.07069	3.7
83.04978	4.4
84.96030	2.1
85.02906	100.0
86.03280	1.7
87.04449	7.9
87.06977	1.5
91.03927	7.9
91.05455	2.5
96.04480	2.2
97.02895	56.3
98.97565	17.9
99.04446	7.3
101.02368	1.5
101.06007	2.5
108.08083	4.4
109.02876	10.6
110.97581	3.2
111.04433	3.1
112.99132	4.9
115.03925	38.8
116.07122	1.8
116.98636	9.1
119.01926	3.4
119.04939	3.2
122.06107	2.0
123.04449	4.2
124.07587	2.2
127.03910	28.6
128.98602	6.3
131.00195	10.5
131.01878	3.2
132.06554	2.3
133.03424	4.9
133.04958	16.6
134.99648	2.5
136.07570	38.5
138.05493	7.3
140.07094	3.3
144.06575	2.5
145.04958	43.2
146.99583	3.3
147.06480	3.6
148.03897	6.7
148.07603	2.8
149.01213	4.5
149.07114	1.8
150.07678	8.3
152.07083	2.5
155.01863	1.9
158.99738	2.4
163.06001	25.8
164.07095	12.3
165.05460	7.6
165.07654	2.4
166.05016	14.3
166.08633	4.0
170.07997	2.2
171.01346	1.7
173.01305	4.1
173.02809	2.6
177.00711	4.0
178.04950	5.9
180.08557	2.2
181.55875	2.8
182.08121	32.9
183.04143	2.8
183.07651	10.5
184.81479	1.8
186.99158	2.3
188.09187	6.3
189.00711	2.7
189.55515	2.1
191.02284	3.2
195.08698	3.2
201.00752	1.7
211.29803	1.8
212.11162	3.6
214.03940	4.1
216.58670	1.9
219.01752	7.0
219.07045	2.2
223.06197	3.4
229.08173	4.2
237.02730	14.9
241.07010	5.8
242.08076	2.3
245.05092	2.2
251.04378	5.1
257.05148	1.7
259.07980	5.7
262.58676	9.6
263.07849	3.1
264.06540	3.5
264.09045	2.8
279.03741	2.7
295.10205	7.6
321.10162	3.5
326.12329	4.2
328.05536	1.9
337.08130	4.0
339.83383	1.8
343.61395	11.7
344.09827	7.5
344.13626	17.2
344.60095	2.2
345.13391	8.6
355.09048	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1022
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
52.65071	0.2
53.03937	0.3
55.01866	0.3
56.96573	0.2
57.03427	0.5
59.04991	1.1
60.29082	0.2
61.02919	1.0
62.02379	0.2
66.01778	0.2
69.03425	2.5
70.97878	0.4
73.02917	0.8
81.03418	1.0
81.07014	0.2
83.06100	0.3
85.02900	5.1
87.04451	0.3
89.06023	0.4
91.03902	0.3
91.05451	0.3
97.02889	2.0
99.04440	0.4
103.07584	0.8
103.17282	0.2
109.02866	0.6
109.05105	0.6
116.98618	0.2
119.04935	1.1
123.04403	0.4
127.03896	0.8
134.04607	7.3
135.03017	0.5
137.04474	0.2
137.05966	0.3
140.02742	0.5
143.03139	0.6
145.04967	0.5
147.04401	6.3
152.05687	1.4
161.70413	0.2
164.07059	0.6
165.02312	3.4
165.05449	3.4
165.11244	1.4
167.02632	0.8
172.03555	0.2
182.04948	100.0
183.05173	1.2
202.06876	0.4
216.69739	0.2
225.02214	0.2
275.16660	0.2
344.10138	30.7
345.10739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66130	1.9
53.03920	3.8
55.01867	3.6
55.05506	15.7
57.03419	3.2
57.07066	10.7
65.03890	1.9
67.05499	42.5
68.76820	2.0
69.03415	7.9
69.07062	46.3
69.75662	9.1
69.76074	5.0
71.04987	8.2
71.08606	4.3
71.30872	2.0
79.05486	24.0
81.07053	100.0
82.07381	2.6
83.04962	6.4
83.08612	18.5
85.02888	3.5
85.06543	11.8
91.05487	18.2
93.07035	60.4
95.04935	13.7
95.08600	87.1
97.02898	2.5
97.06517	6.1
97.10183	10.6
99.08067	4.9
103.05453	2.8
105.07019	33.1
107.04933	6.4
107.08589	44.4
108.05441	2.5
109.06520	5.1
109.10145	58.2
111.08064	8.9
111.11694	5.2
113.05981	2.6
119.08572	21.0
121.06533	4.6
121.10125	36.0
123.08080	3.3
123.11705	29.6
125.05967	3.0
125.09582	5.0
125.13239	2.1
127.03938	3.4
129.06995	2.6
131.04860	4.8
131.08534	9.1
133.02838	4.4
133.10123	18.5
135.11678	28.0
136.21158	2.6
137.05956	14.6
137.09581	6.5
137.13271	13.8
139.11137	5.9
145.10149	10.0
147.04385	2.9
147.11652	14.8
149.05991	3.6
149.13226	16.9
151.03955	2.6
151.11189	3.2
153.05396	7.4
153.12717	3.5
155.10698	2.2
157.10037	2.1
159.11659	9.1
161.05974	5.1
161.13269	12.2
163.07487	5.9
163.11206	7.5
163.14818	9.4
165.12799	4.7
167.07033	4.5
167.14352	2.6
168.07388	2.0
173.13260	5.7
175.07552	3.1
175.14803	6.4
177.12662	2.7
177.16423	9.3
181.04869	2.6
181.08469	3.9
181.12175	4.7
181.69315	1.9
185.52490	2.2
187.14801	3.0
189.09061	6.2
189.16371	8.2
194.07170	3.4
201.05424	3.4
201.16365	2.5
203.18053	2.7
215.17917	6.6
219.10162	2.7
223.07346	2.3
249.05586	2.5
251.07019	2.2
265.08557	4.9
267.06232	2.0
268.07196	2.9
271.24115	9.6
277.25333	3.1
283.09616	6.0
289.25201	12.2
289.76923	2.2
299.09146	2.3
299.12836	2.8
300.60040	2.6
307.09604	2.2
307.26205	9.6
311.12582	3.7
325.07050	3.0
325.10519	10.1
325.27383	3.1
343.07999	5.5
343.11765	13.9
343.15280	6.8
343.22153	3.1
344.12048	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55379	1.8
55.05506	28.8
57.07070	15.5
67.05505	32.5
69.07063	73.3
69.38261	20.4
71.04983	3.4
71.08620	9.5
79.05482	9.2
81.07050	100.0
83.08614	43.6
85.02898	3.1
85.06524	13.9
85.10184	4.7
91.05462	6.9
93.07020	22.1
95.04970	3.8
95.08598	97.6
97.06514	2.9
97.10169	27.2
99.08087	3.8
99.14585	2.2
105.07015	6.6
107.08591	34.7
109.06491	4.6
109.10149	73.1
111.08070	3.3
111.11723	25.2
113.09661	2.6
119.08592	11.4
121.10135	41.9
123.08076	2.2
123.11687	32.3
125.09609	2.4
125.13264	9.5
127.11215	3.3
131.08569	2.1
133.10124	5.9
135.08032	2.4
135.11681	21.7
137.09624	3.0
137.13242	27.8
139.07536	2.8
139.14778	2.9
141.09026	2.6
145.10083	4.2
147.11655	8.7
149.09619	2.6
149.13239	11.5
151.11194	3.8
151.14777	9.9
153.09119	3.5
155.10628	4.5
159.11655	4.5
161.13249	3.6
163.11163	4.0
163.14790	7.9
165.12810	4.1
165.16344	6.5
167.10651	5.0
169.12177	2.4
175.14790	5.5
177.12759	2.4
177.16385	4.0
179.14323	3.5
179.17935	2.7
181.12274	10.8
191.17950	4.5
195.13747	2.9
207.21040	3.8
215.17950	3.0
243.88940	1.9
245.15948	2.0
247.24179	24.4
251.20076	3.3
261.25833	5.5
265.25281	6.0
271.24167	10.4
279.26715	3.3
281.28360	7.0
289.25195	20.7
307.26297	41.8
308.26468	2.6
325.27332	10.1
343.07657	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01852	3.3
55.05505	17.2
57.03447	2.8
57.07076	9.1
59.04995	4.8
59.07077	2.0
62.06074	3.6
67.05497	27.4
69.03411	5.6
69.07065	46.0
69.46796	18.7
69.49642	1.7
70.06572	2.7
71.04993	9.7
71.08629	3.9
72.04510	9.2
79.05492	22.1
81.07052	100.0
83.04958	6.9
83.08628	15.9
85.02888	3.5
85.06537	7.7
85.32495	2.0
88.55841	1.7
91.05037	2.1
91.05490	21.6
93.07040	78.5
94.07392	1.8
94.21687	1.9
95.04954	20.5
95.08604	75.4
97.06521	9.4
97.10167	8.2
98.20719	3.7
99.08118	1.9
103.05464	2.3
105.07013	23.0
106.12791	2.1
107.04941	7.0
107.08593	44.9
109.06516	8.8
109.10147	47.1
111.08068	12.7
111.11672	6.4
113.05974	2.3
117.07009	3.7
119.04928	2.2
119.08560	18.0
121.06483	4.2
121.09289	4.1
121.10123	40.1
123.04389	2.8
123.08053	4.1
123.11697	30.3
125.05994	2.9
125.09629	3.8
127.07514	3.1
128.06233	1.9
129.06990	5.8
131.04892	2.6
131.08574	6.9
133.02867	4.4
133.06477	4.8
133.10139	12.0
135.11694	27.0
137.05952	15.5
137.09634	4.4
137.13251	19.3
139.11180	7.1
145.10144	10.0
147.04391	2.6
147.11693	10.4
149.05963	3.2
149.09601	2.8
149.13263	13.9
151.03987	2.3
151.07494	3.7
151.11177	8.3
153.05458	2.5
153.12733	6.9
155.10652	4.0
155.14284	2.2
157.06503	4.1
157.10031	2.4
159.11693	7.4
161.05972	5.7
161.13242	6.5
163.07565	4.4
163.11182	15.1
163.14809	4.7
165.06995	2.3
165.12764	2.9
167.07050	10.3
167.10695	2.2
169.12230	2.9
170.07259	2.2
173.06001	2.1
173.13315	3.1
175.07570	3.2
177.05469	2.7
177.06937	2.3
177.16365	5.1
181.04985	3.0
181.06479	2.1
181.08591	9.6
181.12239	11.2
183.07964	2.1
187.14732	2.6
189.09065	14.7
189.16374	2.5
191.18071	3.4
196.05264	2.1
199.13181	2.2
201.05482	5.3
201.16394	2.5
205.06424	2.7
209.09631	2.1
214.06334	2.9
215.17973	5.7
216.07791	5.2
217.19261	2.4
222.06757	3.4
233.06082	3.5
237.09062	3.6
242.05792	1.9
249.05574	2.1
250.06229	3.5
255.09991	2.1
257.11639	5.0
261.09192	2.3
265.08478	9.4
267.06601	2.4
269.15982	1.7
271.24237	7.8
282.08731	2.2
283.09702	5.7
289.25247	10.5
293.08206	4.4
295.26141	2.4
297.11285	4.6
303.11072	3.9
304.93820	2.0
307.09586	4.4
307.26361	8.8
311.09033	2.7
311.12662	4.4
325.10614	11.0
325.14163	3.7
325.27313	4.7
326.14377	2.2
343.08191	4.3
343.11719	12.0
343.15457	10.6
343.22495	2.8
344.15009	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57202	2.6
53.03942	3.8
55.01871	2.9
55.05513	15.3
57.03429	4.1
57.07066	6.7
59.05003	2.9
67.05502	44.1
69.03421	4.8
69.07060	43.3
69.40668	13.7
69.41090	11.8
71.04984	3.1
71.08655	3.5
79.05483	32.8
81.03416	6.7
81.07055	100.0
83.04988	4.1
83.08608	15.3
85.06540	12.1
91.05467	30.4
93.07041	57.0
95.04985	14.3
95.08600	86.6
97.06521	5.2
97.10158	10.3
99.08121	4.8
103.05466	6.4
105.07026	39.4
106.07339	2.7
107.04937	12.3
107.08593	47.2
109.06544	5.9
109.10151	57.0
111.04481	2.8
111.08082	5.2
111.11715	7.8
117.06995	7.4
119.08576	24.8
121.06499	8.2
121.10134	36.0
123.04443	5.9
123.08067	4.1
123.11693	23.8
125.05982	6.5
125.09621	3.9
128.06183	4.1
129.06943	12.4
131.04971	6.6
131.08560	7.5
133.02858	15.5
133.06508	4.9
133.10117	19.6
135.08110	3.0
135.11685	29.6
137.05977	26.4
137.09592	6.2
137.13255	10.9
139.11192	8.0
145.06516	3.8
145.10121	13.8
147.04430	3.0
147.11687	24.6
149.05966	10.8
149.09694	3.2
149.13268	18.3
151.07574	4.7
153.05479	31.9
155.10663	5.3
157.06491	4.9
159.11691	13.2
161.06027	7.5
161.13252	11.0
163.07573	6.6
163.11209	8.2
163.14845	14.8
165.05582	3.4
165.06955	3.5
165.12766	4.5
166.06190	2.8
167.07037	17.5
172.13437	2.9
174.06769	7.6
175.07564	6.5
175.14883	8.0
177.16367	11.2
181.08566	21.7
181.12256	3.2
187.11093	3.1
187.14772	4.1
189.09088	26.7
189.16452	4.9
191.17961	3.8
201.05318	6.2
203.10651	3.0
215.17902	4.9
219.06496	3.7
222.06737	3.1
232.94212	3.0
237.09042	4.3
240.07735	2.7
253.08488	2.8
259.24316	2.8
261.09042	3.5
265.08597	3.0
271.24164	9.0
277.25211	4.5
279.10193	3.3
283.09735	4.5
289.25262	16.5
307.26266	7.9
311.12643	5.5
325.10806	5.7
325.14258	4.0
343.08096	4.8
343.11743	13.5
343.15430	18.7
343.30615	2.9
344.16049	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.28220	2.4
55.05519	18.8
55.31717	2.3
57.03433	6.8
57.07066	8.8
67.05502	31.7
68.77685	2.7
69.03436	4.7
69.07066	57.9
70.43478	11.4
71.04984	5.9
71.08614	5.4
79.05479	24.8
81.07052	100.0
83.04978	7.4
83.08614	17.3
85.02885	5.1
85.06561	7.9
86.06074	2.7
91.05463	19.1
93.07043	54.2
95.04970	15.8
95.08599	72.8
97.06520	8.7
97.10169	8.2
98.20850	3.3
99.08080	6.0
103.05447	3.6
105.07021	28.6
107.04928	3.0
107.08594	32.4
109.06505	5.0
109.10153	47.7
111.08086	10.5
111.11708	9.1
117.07038	2.9
117.57295	2.6
119.08582	17.6
121.10134	30.5
123.08064	6.0
123.11697	33.2
125.09615	5.4
131.08549	6.7
133.02910	5.1
133.10126	17.8
135.11671	22.6
137.05954	16.2
137.09615	6.3
137.13219	13.9
139.11188	7.2
142.52788	2.6
145.10123	8.9
147.11685	15.6
149.13216	17.6
151.11186	5.6
153.12753	3.9
155.10690	3.0
159.11725	6.7
161.05928	5.8
161.13266	7.4
163.07533	8.3
163.11194	11.0
163.14813	9.3
165.12782	5.8
167.14244	3.7
173.09737	2.9
173.13281	6.1
177.16432	8.8
181.12318	3.1
189.16435	6.0
193.08623	7.5
195.17502	3.5
197.06021	3.2
201.16353	2.9
215.17966	5.6
223.07480	3.4
225.42928	2.6
233.42844	2.8
241.08484	4.1
244.15434	6.0
245.15771	11.7
259.32642	2.9
265.12122	4.1
271.24326	4.0
277.25235	4.2
283.09662	4.1
289.25229	13.8
295.26266	3.1
297.11301	4.6
307.26263	16.1
325.10709	5.5
325.27399	3.4
343.08038	8.8
343.11844	12.9
343.15320	8.6
343.22757	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83047	1.4
53.03954	2.1
55.01854	2.2
55.05506	14.9
57.03437	1.6
57.07073	8.7
57.98959	1.5
65.03941	1.5
67.05164	2.6
67.05502	32.4
69.03420	4.4
69.07064	42.9
69.77665	3.0
69.78071	6.9
71.04984	5.5
71.08596	2.3
77.54144	1.4
79.05489	22.1
81.07055	100.0
83.04978	4.1
83.08619	13.8
85.02906	3.4
85.06532	16.2
86.12912	1.3
86.99110	1.4
87.04435	1.4
90.57597	1.3
91.05473	15.1
93.07040	42.1
95.04418	1.2
95.04968	9.4
95.08601	82.1
97.06532	5.7
97.10159	7.4
99.08089	10.7
103.05421	2.1
105.07030	30.6
107.04936	2.7
107.08591	39.2
108.08902	1.5
109.06512	6.2
109.10149	47.7
111.08075	5.0
111.11720	7.3
113.09616	3.1
117.07002	3.1
119.08568	26.7
121.06484	2.4
121.10138	30.9
123.08081	3.7
123.11710	25.8
125.09628	3.1
127.11201	2.5
129.07072	1.4
131.08568	5.2
133.02846	6.3
133.10124	16.9
135.08081	2.0
135.11684	22.7
137.05969	7.6
137.09613	5.5
137.13251	14.1
139.11162	6.6
145.10104	7.7
147.11673	23.2
147.91039	1.7
149.05922	2.7
149.09630	1.9
149.13248	17.9
151.07611	1.5
151.11229	2.4
153.05452	5.1
153.12682	2.2
155.10672	2.5
159.11714	11.2
161.05998	3.5
161.13251	11.5
163.07529	3.0
163.11224	4.1
163.14790	7.4
165.12766	9.6
173.13242	6.1
175.07602	2.0
175.14899	5.6
177.16374	15.6
179.14328	2.6
181.04956	1.7
181.08577	2.8
187.14830	5.2
189.09126	2.1
189.16389	5.4
191.17958	2.1
193.15860	1.6
195.17436	7.8
201.16357	2.5
203.18109	2.2
213.18419	9.2
215.17867	3.2
222.06848	1.9
238.09943	1.5
259.24228	1.9
265.08578	2.9
271.24164	7.0
277.25250	6.7
283.09738	2.3
289.25238	11.8
295.26337	4.6
297.11020	3.4
307.26318	9.8
311.12766	2.4
325.10721	3.4
325.27496	2.9
343.11887	6.2
343.15408	4.4
343.22473	1.7
344.12311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.80126	3.0
53.03939	4.9
55.01867	7.7
55.05494	16.9
57.07071	12.8
58.06580	4.6
62.83350	3.2
67.05507	26.4
69.03423	7.6
69.07063	28.8
70.23625	3.3
71.04984	15.4
71.60561	5.2
71.60943	4.8
79.05505	18.9
81.03431	4.3
81.07064	29.3
83.04962	4.9
83.08605	5.2
91.05472	26.6
93.07038	67.1
95.04960	47.9
95.08609	71.6
97.06503	21.7
105.07028	59.6
107.08580	49.6
109.06511	12.1
109.10168	13.6
111.08075	3.9
115.05441	6.4
117.06989	26.5
119.08587	29.2
121.06506	16.3
121.10146	13.1
123.08085	24.0
129.06982	8.5
130.07777	13.5
131.08556	13.0
133.06482	5.5
133.10126	17.1
135.08066	22.0
135.11690	15.4
137.09569	5.9
141.06950	3.9
141.77264	3.6
143.08557	15.0
144.09302	4.5
145.06432	4.5
145.10120	69.2
147.08073	8.5
147.11714	4.8
149.09602	7.2
151.07547	48.2
155.10742	4.6
157.10098	9.2
158.97606	8.4
159.08070	4.0
159.11719	9.3
159.97972	6.3
160.97354	32.3
161.09660	5.3
161.13112	4.4
163.04042	3.9
163.11165	51.7
165.09125	14.7
167.08643	4.6
171.11676	7.6
173.09657	4.2
173.13300	5.5
175.07549	3.7
175.11157	6.1
177.09209	5.5
183.11798	4.5
187.11102	7.9
187.14827	6.5
189.12830	8.7
189.16357	5.4
191.14224	6.2
195.11711	4.5
197.13310	7.6
203.14310	8.1
215.14273	4.1
221.15340	29.2
225.16376	4.6
233.15128	3.7
241.15834	4.2
263.16400	4.9
325.21619	13.4
343.08035	12.7
343.18683	8.3
343.22626	100.0
343.25830	5.3
344.07385	29.5
344.23236	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.34693	4.3
55.01849	6.6
55.05494	18.7
56.96552	6.4
57.03423	9.3
57.07047	13.1
59.04991	9.4
65.03920	4.6
67.05494	28.1
69.03423	11.9
69.07053	15.5
71.05000	20.9
71.59692	6.6
79.05499	24.0
80.34412	4.3
81.07062	26.8
83.04985	9.1
83.08614	6.5
85.06574	4.8
89.05875	3.9
91.05482	31.5
93.07036	72.1
95.04971	50.9
95.08604	80.0
96.08897	5.5
96.60279	4.2
97.06528	43.4
105.06374	7.3
105.07030	81.9
105.92097	5.3
107.08580	56.9
109.06502	17.9
109.10134	10.5
117.07017	29.1
119.08585	30.0
120.31088	4.7
121.06487	20.9
121.10143	23.5
123.04398	5.9
123.07172	5.9
123.08048	31.3
126.00452	4.3
129.06989	7.9
130.07784	14.1
131.08521	10.3
133.06493	7.6
133.10106	14.6
135.08064	23.6
135.11681	19.3
137.05994	6.0
142.07767	7.0
143.08548	8.1
145.10109	71.8
147.08025	11.9
147.11696	9.2
149.09604	5.0
151.07567	43.4
155.08521	5.7
157.10092	12.5
159.11670	10.9
161.09665	8.5
161.13223	6.6
163.00575	4.6
163.07512	5.6
163.11156	62.3
165.09134	14.7
169.10092	9.0
171.11621	13.6
173.09592	8.3
173.13176	5.5
175.11200	8.5
177.09113	8.0
181.12209	6.4
187.11212	6.6
189.09090	5.2
189.12637	6.7
201.09105	4.3
203.14319	8.2
207.13753	8.0
209.13194	5.2
209.15314	4.7
213.16289	5.3
221.15363	30.1
233.15446	4.5
242.76393	4.1
273.93314	4.9
286.19247	5.4
325.21524	15.8
343.19058	9.0
343.22644	100.0
343.26108	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.05511	58.4
57.03432	18.3
57.07072	39.4
58.35269	3.6
63.59945	4.3
67.05502	77.9
69.03436	3.7
69.07065	100.0
71.04975	6.6
71.08631	23.2
71.62897	4.8
72.21799	3.8
79.05491	44.3
81.07056	95.5
83.04960	5.5
83.08616	69.9
85.06536	5.8
85.10166	11.1
91.05479	9.8
93.07046	50.7
95.04984	7.7
95.08598	81.4
97.06518	44.2
97.10168	42.0
99.08086	4.7
105.07023	8.7
107.08589	45.3
109.10154	40.9
111.08087	11.3
111.11707	16.8
120.45950	4.2
121.10135	79.3
122.10526	5.6
123.11683	23.3
125.09617	8.4
131.08580	5.3
133.10097	6.6
135.11693	60.3
137.13222	20.3
139.11201	5.7
149.13254	33.7
151.14845	12.7
153.12732	5.1
163.14853	13.5
177.16451	8.0
233.22617	84.4
233.24867	5.1
234.23082	5.0
251.23679	90.7
252.23917	5.3
269.24799	8.1
325.27383	68.3
343.18915	7.3
343.22668	10.4
343.28583	11.8
349.95865	3.9
369.00214	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1898
Annotation	6beta,12beta-Dihydroxymestranol
Peak:m/z	Relative Intensity
55.01864	11.3
55.05507	56.0
56.96563	17.5
64.72674	9.1
67.05486	32.6
69.03413	15.8
69.07044	31.3
70.76599	19.8
71.04962	10.4
77.01907	7.9
79.05494	21.8
81.07055	81.2
83.08621	13.8
85.02910	16.1
85.49593	9.6
88.76349	9.8
91.05477	26.3
93.07024	38.2
95.04964	12.6
95.08590	41.6
97.02879	33.6
97.06531	11.1
97.10116	14.9
98.97552	10.3
105.07023	36.7
107.08607	45.9
109.06502	18.1
109.10140	13.0
113.36931	8.9
116.98565	11.2
119.08557	37.5
121.10121	26.5
123.04396	18.0
123.08121	12.8
123.11687	22.5
127.07558	9.4
133.10126	15.8
137.05995	12.4
147.11690	60.7
149.06006	10.5
151.03915	21.9
153.06978	12.9
154.07739	19.3
155.08556	21.4
157.10153	11.3
161.05995	34.0
161.10559	8.8
163.11165	11.5
165.07011	19.8
165.12712	37.0
167.08490	12.0
169.10075	23.5
173.05949	38.1
175.07608	12.4
176.20946	10.4
181.06412	12.0
182.07393	12.6
183.08032	22.1
183.11630	10.1
183.13861	14.4
195.08040	100.0
197.09625	42.6
200.08350	18.5
201.09105	22.3
213.09076	78.8
229.14374	16.8
269.08072	12.4
279.17413	30.9
305.72845	9.0
307.16946	53.8
325.17926	87.1
326.18085	10.1
343.11789	22.8
343.19009	70.0
343.22684	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01855	2.5
55.05502	2.8
57.03422	2.9
57.07064	1.4
61.02906	3.3
65.03930	1.6
67.05485	2.8
69.03425	12.2
69.07055	2.7
69.39353	7.1
69.39762	1.2
70.06583	3.7
71.04974	2.5
72.08143	3.0
73.02917	1.2
73.03662	0.7
79.05501	5.3
81.03413	5.6
81.07052	9.6
83.04978	5.9
84.04502	1.9
85.02901	29.0
86.09692	2.7
87.04467	1.7
87.05586	1.0
91.03929	1.7
91.05450	4.7
92.27946	0.8
93.07040	10.8
95.04964	19.5
95.08583	2.9
97.02892	9.4
97.06501	4.6
98.21467	1.2
99.04433	2.1
103.03939	1.0
105.07028	8.8
107.04890	0.9
107.08589	11.5
109.02877	3.3
109.06510	3.6
109.10127	1.4
111.04490	1.1
115.03871	1.2
116.07072	3.2
117.07022	3.1
119.08568	6.6
121.06499	3.9
121.10133	11.5
123.04449	1.9
123.08113	1.0
125.05972	8.2
127.03919	7.8
129.06935	1.1
130.07782	3.3
131.08578	1.0
133.02853	1.1
133.06450	2.4
133.10138	2.4
135.08017	2.0
135.11684	8.8
137.05945	4.8
137.09663	0.9
143.08569	1.8
145.04951	6.5
145.10115	16.0
147.04417	1.6
147.08046	2.4
149.05978	2.0
151.11122	0.9
161.05989	1.4
161.09596	2.6
163.11172	100.0
164.11571	0.9
165.05457	0.9
165.09113	1.8
167.07022	1.7
175.07439	1.2
175.11131	1.9
176.07712	0.9
177.05426	1.7
177.09091	1.0
181.04958	2.9
181.08626	1.8
181.12230	19.3
183.10083	1.8
187.11185	1.3
193.12169	0.9
205.12180	1.9
211.09421	1.5
219.06436	1.2
223.13225	2.1
237.08963	0.9
265.08609	1.5
289.14365	1.1
289.17758	0.9
297.13019	1.1
307.09677	1.0
307.15356	2.0
343.08673	1.2
343.13675	15.5
343.17560	1.9
344.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01855	2.5
55.05502	2.8
57.03422	2.9
57.07064	1.4
61.02906	3.3
65.03930	1.6
67.05485	2.8
69.03425	12.2
69.07055	2.7
69.39353	7.1
69.39762	1.2
70.06583	3.7
71.04974	2.5
72.08143	3.0
73.02917	1.2
73.03662	0.7
79.05501	5.3
81.03413	5.6
81.07052	9.6
83.04978	5.9
84.04502	1.9
85.02901	29.0
86.09692	2.7
87.04467	1.7
87.05586	1.0
91.03929	1.7
91.05450	4.7
92.27946	0.8
93.07040	10.8
95.04964	19.5
95.08583	2.9
97.02892	9.4
97.06501	4.6
98.21467	1.2
99.04433	2.1
103.03939	1.0
105.07028	8.8
107.04890	0.9
107.08589	11.5
109.02877	3.3
109.06510	3.6
109.10127	1.4
111.04490	1.1
115.03871	1.2
116.07072	3.2
117.07022	3.1
119.08568	6.6
121.06499	3.9
121.10133	11.5
123.04449	1.9
123.08113	1.0
125.05972	8.2
127.03919	7.8
129.06935	1.1
130.07782	3.3
131.08578	1.0
133.02853	1.1
133.06450	2.4
133.10138	2.4
135.08017	2.0
135.11684	8.8
137.05945	4.8
137.09663	0.9
143.08569	1.8
145.04951	6.5
145.10115	16.0
147.04417	1.6
147.08046	2.4
149.05978	2.0
151.11122	0.9
161.05989	1.4
161.09596	2.6
163.11172	100.0
164.11571	0.9
165.05457	0.9
165.09113	1.8
167.07022	1.7
175.07439	1.2
175.11131	1.9
176.07712	0.9
177.05426	1.7
177.09091	1.0
181.04958	2.9
181.08626	1.8
181.12230	19.3
183.10083	1.8
187.11185	1.3
193.12169	0.9
205.12180	1.9
211.09421	1.5
219.06436	1.2
223.13225	2.1
237.08963	0.9
265.08609	1.5
289.14365	1.1
289.17758	0.9
297.13019	1.1
307.09677	1.0
307.15356	2.0
343.08673	1.2
343.13675	15.5
343.17560	1.9
344.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
50.10939	1.3
53.03949	1.2
55.01849	3.8
55.05499	2.3
56.96549	5.1
57.03431	1.3
61.56654	1.1
65.03926	1.9
67.05476	2.3
69.03416	4.6
69.07019	1.2
71.04991	1.6
71.27678	2.8
79.05487	7.8
81.03400	2.5
81.07041	2.6
84.04505	3.0
85.02897	3.1
85.06532	1.5
91.05473	10.7
93.07057	9.4
93.14439	1.1
94.04156	1.9
95.04970	6.0
95.08587	1.7
97.02866	1.8
97.06511	1.2
98.97578	2.8
99.04418	1.5
102.04704	1.4
103.05475	8.1
105.07025	10.6
107.04942	14.2
107.08583	3.8
109.02861	2.5
109.06543	2.6
109.10132	1.6
111.04404	1.5
115.05446	5.2
117.07029	3.0
118.04158	1.3
119.04960	3.7
119.08601	2.7
121.02824	1.4
121.06507	6.1
121.10136	9.8
122.03663	7.1
123.04447	3.0
123.08074	1.7
125.05959	2.8
126.05527	4.5
127.03888	1.8
128.06168	1.9
129.06989	5.1
130.04088	1.6
131.04942	7.6
131.08549	2.7
133.02835	4.9
133.06482	9.4
135.04344	1.3
135.08046	3.2
135.11693	1.4
136.05223	1.3
137.05969	100.0
138.06305	1.9
139.07506	1.3
139.11253	1.3
141.06952	1.9
141.32352	1.1
144.06578	4.3
145.06445	2.9
145.10121	3.2
146.03645	3.3
147.04390	6.3
147.08017	1.9
149.06001	9.2
151.03932	2.5
151.07529	7.1
153.05443	2.2
153.07025	2.2
157.06494	4.6
161.04758	2.1
161.05989	21.0
161.09654	1.5
162.06789	7.7
163.07547	19.5
163.11171	7.4
165.06978	1.4
165.09111	4.7
166.02200	1.5
167.07076	9.1
167.08322	1.7
167.10648	2.0
169.06438	2.4
173.06023	2.0
173.09650	2.1
174.06741	2.8
175.03940	1.7
175.07526	20.3
177.09128	3.4
178.07759	1.6
179.08513	3.1
181.04866	4.9
181.06424	2.0
181.08604	12.3
181.12234	6.7
183.08163	1.7
185.22284	1.1
187.07547	1.6
189.09065	12.0
190.07733	1.8
191.06970	1.8
193.08557	2.3
194.07314	3.6
195.08044	1.2
197.11806	1.8
199.07443	1.4
200.02374	1.9
201.03600	1.1
201.05487	5.1
201.09149	3.1
205.06471	4.4
205.10205	2.9
207.02998	1.6
207.08064	4.1
208.08701	1.8
209.05873	1.7
209.09833	1.7
211.07437	2.3
213.09122	1.7
215.02824	3.2
216.03714	1.8
219.06383	2.3
219.08223	2.4
219.09988	5.7
221.02855	1.7
221.06093	3.0
221.09802	1.2
222.06750	3.6
223.07472	2.9
224.08261	2.5
230.03281	3.5
233.05995	2.7
233.09601	5.1
235.07501	4.5
236.08215	2.6
237.09029	6.4
239.07010	2.2
241.08650	3.1
247.07614	2.0
248.03432	1.3
249.08809	1.5
250.06252	3.5
250.09958	2.1
251.07013	2.3
251.10561	1.7
252.07693	1.8
253.08566	4.0
254.09253	2.0
261.09061	3.1
263.07159	1.8
263.10425	1.6
264.07864	2.0
265.08606	11.4
265.12137	3.8
266.04330	6.8
266.09106	2.3
267.06570	1.5
267.10184	6.1
268.07529	1.3
269.08112	3.2
272.04434	2.1
275.04861	4.8
278.09439	2.5
279.10184	3.3
281.05008	1.8
281.08047	2.2
282.08807	4.6
283.09592	2.9
283.13086	1.4
284.10394	3.5
293.08499	2.5
293.11603	9.9
294.12390	3.5
295.09833	1.4
296.10464	1.7
297.07892	1.4
297.11221	40.3
297.14658	3.7
298.11520	1.8
299.12753	21.7
302.05429	2.6
307.09454	2.6
310.11899	3.3
311.09265	1.6
311.12756	21.5
312.12955	1.5
325.10614	5.7
325.14322	19.1
343.08176	2.7
343.11749	5.6
343.15384	33.6
344.15982	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10939	1.3
53.03949	1.2
55.01849	3.8
55.05499	2.3
56.96549	5.1
57.03431	1.3
61.56654	1.1
65.03926	1.9
67.05476	2.3
69.03416	4.6
69.07019	1.2
71.04991	1.6
71.27678	2.8
79.05487	7.8
81.03400	2.5
81.07041	2.6
84.04505	3.0
85.02897	3.1
85.06532	1.5
91.05473	10.7
93.07057	9.4
93.14439	1.1
94.04156	1.9
95.04970	6.0
95.08587	1.7
97.02866	1.8
97.06511	1.2
98.97578	2.8
99.04418	1.5
102.04704	1.4
103.05475	8.1
105.07025	10.6
107.04942	14.2
107.08583	3.8
109.02861	2.5
109.06543	2.6
109.10132	1.6
111.04404	1.5
115.05446	5.2
117.07029	3.0
118.04158	1.3
119.04960	3.7
119.08601	2.7
121.02824	1.4
121.06507	6.1
121.10136	9.8
122.03663	7.1
123.04447	3.0
123.08074	1.7
125.05959	2.8
126.05527	4.5
127.03888	1.8
128.06168	1.9
129.06989	5.1
130.04088	1.6
131.04942	7.6
131.08549	2.7
133.02835	4.9
133.06482	9.4
135.04344	1.3
135.08046	3.2
135.11693	1.4
136.05223	1.3
137.05969	100.0
138.06305	1.9
139.07506	1.3
139.11253	1.3
141.06952	1.9
141.32352	1.1
144.06578	4.3
145.06445	2.9
145.10121	3.2
146.03645	3.3
147.04390	6.3
147.08017	1.9
149.06001	9.2
151.03932	2.5
151.07529	7.1
153.05443	2.2
153.07025	2.2
157.06494	4.6
161.04758	2.1
161.05989	21.0
161.09654	1.5
162.06789	7.7
163.07547	19.5
163.11171	7.4
165.06978	1.4
165.09111	4.7
166.02200	1.5
167.07076	9.1
167.08322	1.7
167.10648	2.0
169.06438	2.4
173.06023	2.0
173.09650	2.1
174.06741	2.8
175.03940	1.7
175.07526	20.3
177.09128	3.4
178.07759	1.6
179.08513	3.1
181.04866	4.9
181.06424	2.0
181.08604	12.3
181.12234	6.7
183.08163	1.7
185.22284	1.1
187.07547	1.6
189.09065	12.0
190.07733	1.8
191.06970	1.8
193.08557	2.3
194.07314	3.6
195.08044	1.2
197.11806	1.8
199.07443	1.4
200.02374	1.9
201.03600	1.1
201.05487	5.1
201.09149	3.1
205.06471	4.4
205.10205	2.9
207.02998	1.6
207.08064	4.1
208.08701	1.8
209.05873	1.7
209.09833	1.7
211.07437	2.3
213.09122	1.7
215.02824	3.2
216.03714	1.8
219.06383	2.3
219.08223	2.4
219.09988	5.7
221.02855	1.7
221.06093	3.0
221.09802	1.2
222.06750	3.6
223.07472	2.9
224.08261	2.5
230.03281	3.5
233.05995	2.7
233.09601	5.1
235.07501	4.5
236.08215	2.6
237.09029	6.4
239.07010	2.2
241.08650	3.1
247.07614	2.0
248.03432	1.3
249.08809	1.5
250.06252	3.5
250.09958	2.1
251.07013	2.3
251.10561	1.7
252.07693	1.8
253.08566	4.0
254.09253	2.0
261.09061	3.1
263.07159	1.8
263.10425	1.6
264.07864	2.0
265.08606	11.4
265.12137	3.8
266.04330	6.8
266.09106	2.3
267.06570	1.5
267.10184	6.1
268.07529	1.3
269.08112	3.2
272.04434	2.1
275.04861	4.8
278.09439	2.5
279.10184	3.3
281.05008	1.8
281.08047	2.2
282.08807	4.6
283.09592	2.9
283.13086	1.4
284.10394	3.5
293.08499	2.5
293.11603	9.9
294.12390	3.5
295.09833	1.4
296.10464	1.7
297.07892	1.4
297.11221	40.3
297.14658	3.7
298.11520	1.8
299.12753	21.7
302.05429	2.6
307.09454	2.6
310.11899	3.3
311.09265	1.6
311.12756	21.5
312.12955	1.5
325.10614	5.7
325.14322	19.1
343.08176	2.7
343.11749	5.6
343.15384	33.6
344.15982	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Cordatolide A
Peak:m/z	Relative Intensity
51.53313	0.5
52.25412	0.6
55.01870	0.9
55.05502	0.6
63.04842	0.5
65.03932	1.4
67.05489	0.7
68.99733	0.5
69.26896	1.3
69.27299	5.2
76.35710	0.6
79.05476	1.3
81.07038	1.4
83.01340	0.9
91.05475	4.9
93.03397	1.7
93.07029	0.8
95.04932	1.4
95.08589	0.8
98.20644	0.9
103.05458	0.8
107.04934	4.3
109.06487	0.7
119.04934	4.0
121.02856	3.7
121.06452	1.1
121.10156	0.6
123.04426	4.7
124.05199	1.1
131.01285	1.7
131.04919	2.4
133.06409	0.9
135.04396	3.9
136.75203	0.4
137.05960	8.5
139.07527	2.8
145.06453	0.9
147.04399	11.9
149.02313	18.7
149.03482	1.1
151.03925	3.9
151.07533	0.8
152.06181	0.6
157.06480	0.9
159.04388	4.0
161.05971	17.2
162.06503	0.6
163.03908	1.5
165.06935	1.0
167.03391	63.7
167.07056	2.5
167.08452	1.2
168.03723	2.0
170.07286	0.9
171.08051	1.4
173.09680	0.6
175.03856	3.1
177.05444	2.1
177.06882	0.9
179.07065	0.8
179.08499	0.7
179.10658	2.2
181.06494	0.6
183.08046	1.5
185.05954	0.7
185.09599	1.7
189.05496	1.1
191.06989	3.2
192.07787	6.9
193.08403	0.6
195.08029	6.5
196.08417	0.6
197.05959	0.9
198.06776	2.3
199.07573	0.7
205.08578	7.7
213.09116	4.8
219.10190	1.0
222.06670	0.6
223.07480	3.4
224.08287	1.2
226.06229	2.9
227.07034	1.1
239.07005	6.1
241.08578	35.1
242.08865	2.3
251.06995	3.0
257.08069	3.5
269.08072	100.0
270.08426	6.4
283.09537	0.9
287.09143	13.2
288.09531	1.0
297.14856	2.2
313.14359	0.8
315.12326	1.3
325.14340	4.0
343.11649	8.1
343.15408	11.4
344.15857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1171
Annotation	celebixanthone
Peak:m/z	Relative Intensity
56.55439	2.7
67.05489	5.9
69.03414	11.6
69.98666	4.5
69.99080	11.1
72.56304	2.5
76.52783	2.6
81.07037	4.2
87.03432	2.6
87.73991	2.7
89.52105	2.6
91.05489	7.0
93.07021	3.5
95.04938	2.9
105.07024	5.5
117.06997	3.3
119.04922	2.9
121.10130	3.4
126.33263	3.0
128.06268	3.7
129.06978	7.2
131.04898	4.8
137.05949	5.0
139.05379	4.6
141.06958	14.0
145.06538	3.4
152.06157	7.3
153.06996	9.4
153.26189	3.1
155.04903	5.7
155.08568	3.0
157.06497	10.4
159.04437	4.6
161.05998	4.1
165.06955	19.6
166.07761	19.2
167.03372	4.0
167.08549	13.4
168.05751	15.3
169.06468	44.9
170.07289	4.6
171.04509	3.4
173.06012	8.4
175.03912	4.0
177.05519	3.9
177.06950	3.9
178.07768	19.2
179.08455	5.7
181.06476	9.1
181.10112	12.6
183.04402	9.7
185.05907	20.2
186.06757	4.4
187.03973	7.1
187.07542	11.6
189.07016	9.5
190.07712	15.3
191.08522	65.6
192.09244	12.5
193.10074	10.8
194.07216	10.3
195.08015	14.6
196.05173	19.6
197.05962	71.9
198.06711	6.6
199.03899	4.0
199.07573	5.4
200.04645	5.9
201.05446	12.9
202.07753	8.5
203.08601	10.1
205.04846	4.7
205.06467	14.6
206.07159	5.2
207.08087	3.6
208.05078	4.0
209.06007	7.6
209.09604	33.3
211.04012	4.6
211.07507	6.2
212.08315	9.9
213.05510	34.5
213.09081	34.9
214.06204	38.4
215.07011	52.8
216.07790	9.6
218.07343	4.7
219.08037	68.2
220.08722	10.2
221.06030	4.7
221.09557	9.5
222.06760	10.4
223.04004	3.4
223.07545	9.2
224.04678	13.6
225.05447	18.4
226.06190	6.5
227.03348	7.0
227.07010	7.3
227.10664	7.4
228.04181	6.1
229.04895	28.2
229.08463	6.0
231.06355	3.7
231.08304	3.3
234.05225	8.2
235.07382	3.6
237.09090	58.1
238.09831	9.8
239.06966	5.4
239.10638	4.5
241.04932	13.6
241.08626	11.3
242.05690	38.2
243.06499	57.2
246.05238	6.4
247.07768	34.5
249.03748	3.4
249.09103	37.8
250.06265	5.5
251.07034	7.4
252.04120	3.2
255.02798	4.8
255.06514	9.1
255.10139	35.7
256.07346	9.8
256.10889	13.1
257.08191	10.8
259.06079	8.6
265.08585	100.0
266.09326	27.7
269.04419	5.9
269.08133	15.6
270.05203	4.5
273.07742	5.0
274.08365	42.8
275.05423	8.5
275.06964	10.4
275.09338	7.2
279.10098	6.8
283.09610	35.1
284.06805	21.8
284.10062	6.7
287.05420	4.3
293.08029	66.5
302.07788	67.5
302.10965	4.6
307.09592	10.9
311.09030	15.7
315.12180	5.6
325.10684	3.5
343.11707	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01870	3.1
55.70606	0.8
56.96554	1.8
57.03420	1.9
61.02947	0.9
66.59113	0.7
69.03422	3.5
69.06540	0.7
70.06564	1.0
71.34798	1.9
73.02915	3.9
79.05491	6.5
81.03410	3.8
81.07051	3.5
85.02913	8.5
86.09714	2.0
91.05482	1.7
94.04166	1.4
95.04972	1.3
97.02885	3.6
99.04475	0.8
102.33599	0.7
103.05491	4.4
105.07024	52.4
107.04958	1.8
109.02895	1.5
109.06477	2.0
110.06037	1.2
111.04424	1.2
115.03900	1.2
115.05450	1.4
116.07064	1.8
117.09145	1.7
118.09469	1.0
119.04963	1.6
120.08172	0.8
122.03648	4.6
123.04403	1.9
124.05194	1.8
127.03920	2.6
131.04959	0.9
133.04881	2.7
133.06485	100.0
134.04639	1.8
134.06801	1.1
134.99620	1.4
137.05969	78.7
147.04408	6.9
151.07568	1.6
163.07455	1.1
165.02220	1.3
165.05458	3.1
165.09105	55.7
167.07037	1.1
170.99658	0.9
177.00752	1.1
181.04904	4.3
182.04961	31.3
183.11333	0.9
201.05319	0.8
228.13405	2.0
237.02905	1.5
283.50150	1.0
294.53030	0.9
294.94260	0.8
300.08841	1.2
343.09930	2.4
343.13684	6.2
344.10181	10.9
344.13889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62000	0.6
56.96498	1.6
57.15855	0.7
61.92390	0.6
65.36188	0.6
71.04163	1.5
71.04506	0.8
74.89989	0.5
76.68163	0.6
77.88143	0.6
96.25680	0.6
98.97578	6.3
116.98624	9.1
117.98826	0.7
119.01820	1.3
134.99655	6.8
137.02859	0.9
153.00629	1.3
174.97583	0.8
176.97353	1.3
177.00949	5.6
178.00906	0.8
179.00607	1.1
183.06017	2.9
192.98674	2.2
194.98367	0.7
197.93820	0.6
201.07144	3.2
216.98607	2.9
218.03522	1.3
218.98521	1.3
219.01982	13.0
220.02060	3.1
221.01671	3.1
222.97887	1.2
234.96646	0.6
234.97459	1.1
234.99863	12.8
235.99873	2.3
236.99489	4.8
240.98851	2.0
242.03488	1.2
252.97482	1.9
253.01009	2.8
258.99963	19.5
260.00073	4.0
260.04703	1.6
261.00000	1.3
261.02939	12.1
262.03180	1.3
263.02795	1.0
264.98734	3.5
265.99057	0.7
274.97546	1.2
276.97562	4.7
277.00977	31.2
278.00821	6.4
279.00772	3.3
282.99966	43.1
283.06247	4.8
284.00067	7.1
284.04547	1.2
284.99890	0.9
291.99591	1.2
294.98618	1.1
300.02466	1.0
300.97720	6.6
301.01013	100.0
301.06802	2.7
301.97696	0.6
302.01096	16.5
302.05084	0.8
303.00830	3.0
304.00894	0.9
318.98572	15.7
319.02136	7.1
319.98700	0.8
324.02692	3.6
325.00940	9.1
325.07092	1.4
341.99936	1.0
342.98962	2.6
343.02112	58.2
343.08023	3.6
344.02225	6.8
360.99533	6.3
361.03192	22.2
362.03366	2.6
366.03790	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	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.2
56.86948	0.7
56.96544	1.3
57.03433	0.8
57.07059	1.3
59.04961	0.9
62.06076	2.1
64.80875	0.7
65.71817	0.7
67.05484	2.6
67.62991	0.7
69.03429	1.5
69.07061	4.7
70.06573	0.8
70.51800	0.8
70.93015	0.7
71.04973	1.0
71.08621	10.1
71.59989	1.0
72.08145	1.8
73.02893	1.6
73.88541	0.7
79.05486	3.6
81.07047	7.6
82.07388	0.9
83.04979	5.4
83.08606	1.8
84.08138	0.9
85.02884	1.1
85.06534	0.9
86.06059	13.8
86.09694	0.9
91.05456	4.3
93.07019	3.8
95.04942	2.0
95.08599	6.1
96.08118	6.0
97.10124	1.0
98.09672	8.4
98.97617	1.4
99.08092	3.6
100.07610	0.7
101.05980	3.5
103.05428	1.3
105.07008	2.3
107.04921	4.5
107.08562	3.2
108.08085	1.6
109.06538	1.6
109.10153	3.5
111.04437	5.2
111.11717	0.9
114.09148	0.8
116.10712	22.0
116.98650	0.9
117.07035	0.9
119.04949	0.9
119.08565	5.8
121.06474	1.3
121.08828	0.8
121.10118	3.0
122.03625	0.8
122.09603	1.1
123.08067	1.0
123.11682	1.7
124.07543	1.6
129.05467	2.1
129.06990	2.5
131.04956	1.4
131.08545	1.3
133.02814	1.2
133.10081	1.5
134.09608	1.4
135.11589	0.8
136.11174	1.3
137.05954	9.7
137.09604	2.0
138.06274	2.3
142.08614	8.8
142.12241	3.3
143.08397	0.7
143.10661	8.5
147.04282	1.0
147.08037	1.5
147.11714	2.3
149.05934	0.8
149.13248	0.9
151.07568	1.1
155.07057	1.6
157.06464	3.6
159.08014	0.9
160.13300	1.7
161.05952	2.4
161.13081	0.9
162.12659	1.0
163.07544	0.9
164.10718	5.2
165.09016	1.0
165.12743	1.8
167.07002	5.6
173.08073	1.3
175.14723	0.8
177.09041	1.6
179.06975	1.3
180.13873	2.0
181.08670	0.9
182.15364	4.2
189.09146	6.9
190.12206	3.7
194.07185	1.1
195.08026	0.8
196.16985	0.8
198.14847	2.0
203.10657	1.2
208.13312	7.0
209.79259	0.7
214.18008	11.2
219.10062	1.0
221.05940	1.2
222.06870	0.9
223.07355	0.9
226.14346	28.6
227.14836	1.1
236.07916	0.8
237.09178	0.9
244.15424	100.0
245.15793	3.3
247.24449	0.9
251.10609	1.1
255.06543	1.1
261.14209	1.0
279.10025	1.4
283.09457	1.3
283.13010	0.8
288.23709	0.8
297.11221	1.2
299.09210	1.6
307.26407	0.9
310.11334	1.1
311.12750	2.2
312.13278	0.8
324.21512	3.5
325.10678	1.6
342.13977	2.0
342.22607	12.0
343.08078	1.3
343.11652	3.1
343.15402	4.0
343.19003	1.4
343.22763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77177	0.6
55.01867	0.9
55.05510	6.6
57.03431	0.9
57.07070	9.4
61.02912	1.6
69.03423	3.6
69.54720	5.6
70.06587	4.1
73.02905	1.0
81.03439	1.5
81.07115	0.6
83.08623	2.9
85.02421	1.0
85.02902	13.2
86.09682	1.3
89.06029	28.0
91.05478	0.8
93.03408	0.7
93.07050	1.0
95.04939	1.0
97.02907	3.2
99.04452	1.2
101.09019	1.2
101.09649	13.2
107.07064	30.9
107.07809	1.5
109.02847	1.2
115.51614	0.6
119.04914	0.7
121.02859	2.4
121.10094	0.7
124.07569	0.8
125.07958	0.7
127.03905	2.6
128.07022	0.5
130.08629	0.6
131.08539	0.6
134.25113	0.6
137.05945	1.5
145.02811	0.7
145.04988	2.6
148.12004	0.6
150.23653	0.7
162.09105	0.6
163.13284	100.0
164.13618	1.4
169.23494	0.6
173.78166	0.6
179.03410	2.1
183.14981	1.2
211.14442	0.6
213.05458	0.7
244.81084	0.7
255.06381	1.2
256.07156	0.9
263.90427	0.6
283.06027	5.9
283.09229	1.0
284.06680	3.0
297.07553	31.9
313.06989	1.2
319.10745	0.8
325.07007	7.3
342.06540	0.9
343.08115	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
56.96567	1.6
57.03431	5.4
59.04993	1.2
59.36181	1.1
60.77487	1.0
61.02936	2.3
61.91340	1.0
67.89143	0.9
69.03056	1.0
69.03416	6.2
69.07065	1.8
70.94696	2.3
70.95066	2.3
71.04969	2.6
71.08604	2.9
73.02911	3.3
81.03423	3.2
81.07037	4.0
85.02893	16.5
91.03963	1.6
91.05788	1.9
95.04929	1.3
97.02900	6.2
98.97592	1.5
99.04420	1.8
99.08082	13.3
103.03860	1.0
106.06518	1.7
107.04904	1.1
109.02865	3.2
109.06516	3.5
116.98596	1.6
117.09124	100.0
118.09417	1.3
121.06510	2.2
123.04420	1.7
127.03896	3.4
127.07552	3.4
134.05991	7.4
137.06053	1.3
145.04881	2.4
152.07066	4.6
155.18616	1.3
162.05495	22.1
163.03909	6.8
163.05911	2.1
163.09660	21.3
168.06531	1.9
177.05530	1.2
179.03378	2.2
180.03685	2.1
180.06561	5.9
181.04930	1.2
195.11258	1.4
208.03123	1.4
237.02991	1.4
301.54343	1.1
342.11560	5.7
343.13391	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	342.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91314	0.5
51.42778	0.5
54.03466	1.0
55.05486	0.4
56.05033	2.7
67.05480	0.6
69.03418	1.4
69.07055	3.0
69.66495	2.1
69.66929	1.9
70.06583	0.7
72.28861	0.5
73.02914	0.8
73.06543	1.6
74.06052	0.7
80.05001	1.1
81.07047	1.5
82.02928	2.0
82.82634	0.5
83.06084	1.2
84.04483	1.1
84.08139	0.6
85.02910	2.5
86.09686	1.2
89.06006	0.4
91.05452	0.7
94.02917	0.9
95.04948	0.7
96.04488	0.9
96.08131	1.2
97.02867	1.0
97.07668	2.4
98.20771	0.8
98.97579	0.8
99.05575	5.6
99.08061	0.6
102.05507	2.1
102.06153	0.5
105.07029	0.9
106.06519	1.0
107.04964	0.8
108.04456	1.4
109.02972	0.5
109.06538	1.1
110.05986	0.9
110.09700	0.5
111.05563	25.0
112.05931	0.6
116.98605	0.7
117.03306	0.5
117.09132	5.2
119.08537	0.5
120.08073	0.4
120.37428	0.5
122.06034	0.6
122.09666	3.8
123.04459	0.5
123.08004	0.6
125.07106	13.4
126.05497	5.7
127.04012	0.9
127.05008	3.1
127.07526	0.4
130.04990	0.5
133.02850	0.8
133.06464	0.5
133.42116	0.5
135.04405	0.8
136.07530	0.8
137.05951	2.0
138.05478	1.1
139.05016	39.5
139.12253	3.3
140.05402	0.7
140.10637	0.6
148.07533	0.5
149.05972	2.0
150.06639	0.7
150.09126	7.4
151.03845	0.5
152.10696	2.2
153.06551	3.8
155.04836	0.5
163.09654	0.7
167.11795	17.2
168.10191	1.9
179.03418	1.5
180.03732	1.5
180.10121	0.8
181.04913	0.7
195.11281	100.0
196.09813	1.0
196.11620	1.8
223.07162	1.2
223.10803	5.9
240.07690	0.5
241.11794	0.7
247.12863	0.5
255.10101	0.8
271.98331	0.5
278.15015	1.6
279.13385	1.4
296.15964	1.9
324.15536	28.0
325.15991	1.3
342.13315	0.8
342.16974	0.6
343.13913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.1
57.07061	12.5
59.04993	4.1
61.72602	3.9
64.87011	3.0
67.05504	27.8
69.07053	22.1
71.04990	21.6
71.08624	5.5
74.66087	3.3
79.05499	23.3
81.07055	100.0
83.08598	11.3
85.06536	4.9
91.05436	21.4
93.06453	6.8
93.07035	87.5
95.04983	6.0
95.08599	80.0
97.10171	7.5
98.20708	7.1
105.07024	48.2
107.08580	59.6
109.06505	12.0
109.10153	42.0
111.08047	15.7
113.09599	4.5
117.06998	5.9
119.08571	90.5
120.08869	3.7
121.10133	58.7
123.11700	22.8
131.08551	19.7
133.10133	29.2
135.07967	4.2
135.11693	36.3
137.06041	3.6
137.09608	11.7
137.13249	7.3
143.08582	8.4
145.10121	20.0
147.11708	21.8
149.13252	50.6
151.11183	5.0
157.10109	11.5
158.10818	4.6
159.11671	42.0
161.13242	28.0
163.14828	33.0
171.11700	13.4
173.13254	29.9
175.14874	16.4
177.12822	4.1
177.16403	6.6
179.14365	5.3
185.13289	5.5
187.14841	26.1
189.16371	18.4
191.17970	29.9
197.13257	5.7
199.14847	8.9
201.16382	12.2
203.17946	6.7
211.14832	6.7
213.16386	15.8
215.17941	17.0
217.15991	4.7
227.17917	14.3
229.19547	10.9
231.17375	4.4
239.17990	4.3
241.19505	4.4
253.19505	4.7
257.22644	10.3
267.20972	8.6
271.24161	8.0
281.22574	7.1
283.24176	63.0
297.25632	5.7
311.68411	4.0
323.27252	57.6
324.27484	4.3
328.64810	4.1
341.28516	80.3
342.28699	4.9
342.37201	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	341.2685
Annotation	1,6,10-Phytatriene-3,5,14,15-tetral
Peak:m/z	Relative Intensity
53.03915	2.8
55.05261	2.4
55.05508	34.3
57.07078	16.2
67.05502	32.7
69.03429	10.2
69.07068	80.3
70.28530	4.8
70.28923	4.6
71.04971	9.1
71.08611	8.4
79.05486	22.9
81.07057	100.0
83.08617	38.2
85.06553	9.5
85.10172	2.6
89.89308	2.2
90.21421	1.7
91.05473	13.4
93.07040	50.9
95.04962	12.5
95.08605	84.7
97.06522	9.3
97.10162	19.8
98.20838	2.4
99.08066	5.3
100.11226	2.2
105.07027	22.8
107.04977	4.5
107.08595	57.4
109.06511	9.0
109.10153	56.3
111.08094	9.4
111.11695	15.2
113.05968	2.5
113.09652	2.1
117.06979	2.5
119.08572	24.9
121.06472	6.2
121.10146	59.2
123.04461	2.5
123.08069	6.8
123.11706	30.0
125.05960	9.8
125.09596	4.4
125.13277	2.6
127.07584	2.2
127.11234	2.8
129.12697	2.3
131.08563	4.9
133.10126	19.3
135.08044	3.8
135.11682	23.3
137.06013	17.2
137.09630	12.1
137.13240	19.5
139.07527	3.8
139.11142	6.9
145.10104	5.7
147.08025	4.8
147.11687	14.6
149.06024	3.3
149.09561	3.3
149.13254	20.9
151.07483	2.9
151.11148	4.9
151.14835	4.1
153.09097	5.4
153.12680	2.6
159.11688	7.5
161.05933	3.8
161.09616	11.3
161.13290	12.3
163.11157	7.6
163.14789	8.6
165.09113	5.0
165.12701	3.2
167.06978	3.2
167.10672	8.6
167.14349	2.2
171.11632	3.0
175.11203	7.3
175.14810	8.4
177.12796	2.3
177.16389	7.0
179.10684	11.2
179.17903	2.7
181.04962	3.0
181.12253	12.2
187.07536	4.7
189.09264	2.4
189.16396	5.5
191.17990	8.5
193.12181	7.4
193.15877	2.7
195.13766	4.3
195.17345	2.3
197.11661	3.4
203.08752	2.2
205.19469	4.0
209.19003	2.9
219.87869	1.9
235.16968	2.5
242.11789	2.1
245.22658	10.4
249.18495	2.8
251.10768	2.3
259.24146	9.2
263.23782	2.8
269.22647	6.2
277.25256	5.9
287.23676	19.8
291.10080	3.1
293.24774	2.5
295.09796	2.2
297.27878	3.9
299.09344	3.9
300.01178	2.3
305.24747	55.8
309.11072	3.3
311.12576	3.0
313.14386	4.4
323.25797	39.4
326.11288	2.7
341.10046	5.7
341.13840	17.9
341.26889	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	341.2684
Annotation	1,6,10-Phytatriene-3,5,14,15-tetral
Peak:m/z	Relative Intensity
51.80376	1.2
53.03940	2.3
55.01872	1.2
55.05507	29.3
57.03432	1.8
57.07070	16.2
59.05005	1.7
65.03925	1.7
67.05498	32.1
69.03421	12.2
69.07063	71.6
69.40755	11.5
71.04974	4.3
71.08620	5.3
79.05497	14.8
81.03420	1.4
81.07050	100.0
83.04997	2.3
83.08611	47.0
85.02895	1.6
85.06538	5.3
85.10180	2.3
91.05460	11.6
93.07039	49.9
95.04956	6.2
95.08600	89.1
97.06496	6.6
97.10162	13.7
98.20771	2.7
99.08057	1.9
103.03960	2.8
103.05421	1.7
105.07026	26.5
107.04937	1.5
107.08588	58.2
109.06508	9.3
109.10146	56.3
109.10906	2.3
111.08076	9.1
111.11715	8.3
113.09681	1.5
117.07017	2.2
119.08579	24.9
121.06502	4.3
121.10136	52.2
122.10530	1.6
123.08082	3.2
123.11697	29.1
125.05923	2.1
125.09602	2.7
125.13280	1.8
127.07574	1.6
129.07027	2.1
131.08553	8.3
133.06541	1.9
133.09120	1.9
133.10120	35.6
135.08101	3.0
135.11693	20.3
137.05986	4.1
137.09607	33.1
137.13231	20.4
139.07582	1.3
139.11197	4.4
143.08571	4.4
145.10127	8.3
146.07220	1.5
147.08040	7.4
147.11679	15.9
149.02350	9.5
149.09595	9.3
149.13239	27.7
149.14349	1.9
151.07544	1.7
151.11195	3.8
151.14783	5.9
153.09126	2.4
155.10626	2.3
157.10139	4.6
159.11685	3.2
161.09612	33.7
161.10930	2.2
161.13232	8.2
163.11163	9.1
163.14842	6.1
165.09074	17.9
165.12721	2.7
165.16455	1.6
167.10641	15.0
167.14310	10.8
171.11728	2.3
173.13234	2.0
175.11183	9.6
175.14793	10.1
177.12756	2.7
177.16408	6.8
179.10664	19.6
179.18034	2.9
181.12228	18.4
185.13225	2.2
187.14795	2.5
189.12801	2.3
189.16333	5.9
191.14240	1.8
191.17966	4.3
193.04951	4.3
193.12234	15.0
195.13692	2.9
199.14857	2.3
201.11270	1.3
201.16336	2.2
203.14323	2.1
203.17914	2.8
205.15843	1.8
205.19514	1.6
207.13814	2.8
209.15259	1.6
209.19020	5.2
211.13321	4.1
213.16348	3.1
217.15941	1.9
221.15305	1.8
231.17448	3.1
235.16953	3.8
245.22563	9.2
249.18504	2.8
259.24231	8.4
261.25754	2.2
263.23630	3.0
269.22617	11.2
277.25204	2.8
279.26752	1.8
287.23679	22.2
305.24725	52.2
306.25208	1.8
323.25806	51.8
324.26212	2.4
341.06537	2.2
341.13531	3.4
341.26846	2.4
358.11194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2682
Annotation	1,6,10-Phytatriene-3,5,14,15-tetral
Peak:m/z	Relative Intensity
53.03932	5.0
55.01850	2.6
55.05264	2.0
55.05507	27.9
56.96547	3.9
57.07069	17.3
58.13178	1.6
59.04988	3.2
67.05167	2.6
67.05500	39.3
69.03431	14.2
69.07062	72.2
70.78348	5.9
71.04963	5.1
71.08620	4.2
73.06532	1.9
76.57417	1.7
79.05482	17.4
81.07052	100.0
83.04024	1.7
83.04969	5.2
83.08131	3.2
83.08612	44.2
85.02885	2.3
85.06527	6.3
85.10139	1.8
90.19524	2.0
90.20116	1.7
91.05460	13.0
93.07037	48.3
95.04964	7.7
95.08599	84.8
97.02866	2.6
97.06509	7.6
97.10166	16.1
99.08074	2.5
101.05984	2.2
103.03920	2.4
105.07018	25.8
107.04939	4.1
107.07855	3.0
107.08584	57.6
109.06519	10.0
109.10147	60.4
111.08087	10.8
111.11694	7.9
116.98660	2.8
117.07032	2.6
117.56200	1.5
119.08575	27.8
121.06484	8.7
121.10134	61.1
123.04396	4.7
123.08083	4.5
123.11694	33.6
125.05963	1.8
125.09624	3.7
125.13223	1.9
127.07504	2.1
129.07001	2.0
131.08565	9.5
133.06458	3.5
133.10115	37.5
135.08005	2.9
135.11679	20.2
137.05946	5.6
137.08661	2.3
137.09622	35.0
137.13234	24.8
139.07507	3.8
139.11163	5.2
142.07785	2.5
143.08537	3.7
143.54120	1.7
145.10104	6.5
147.08034	10.4
147.11667	17.0
149.09636	12.8
149.13243	28.8
151.07527	2.0
151.11188	4.4
151.14809	5.0
155.10620	2.1
157.10126	6.0
159.11655	5.3
160.61299	2.3
161.09616	38.7
161.13240	7.6
163.11119	12.1
163.14825	6.3
165.06989	2.2
165.09099	22.6
165.12724	2.1
165.16428	2.4
167.03380	2.4
167.06984	2.3
167.10681	16.1
167.14243	10.8
171.11641	3.4
173.13243	3.0
175.11168	10.2
175.14774	8.0
177.12732	5.7
177.16341	8.5
179.10645	18.8
179.17903	3.4
181.12244	17.0
185.13260	2.7
187.14771	1.7
189.12688	2.1
189.16382	5.3
191.17932	5.6
193.12201	17.2
195.13759	2.8
199.14894	3.2
203.14186	2.3
203.17998	3.3
205.19356	2.3
207.13835	3.1
208.92854	2.2
209.18936	5.5
211.13235	5.3
213.16354	2.5
219.17406	3.0
231.17427	4.2
235.16811	2.5
245.22588	12.3
249.18454	3.1
257.08081	2.3
259.24167	6.4
261.25903	2.4
263.23450	2.1
269.22617	9.8
277.25192	3.4
287.23657	24.0
305.21255	3.3
305.24725	55.6
313.14218	4.0
323.25793	55.4
324.26312	2.2
341.13718	12.3
341.27054	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01862	5.9
55.05495	20.4
56.96550	5.8
57.07063	14.0
57.37524	3.6
63.53357	3.0
64.80225	3.1
67.05496	37.9
69.03419	10.6
69.07063	53.8
71.04974	13.0
71.08632	5.7
71.60591	3.9
71.60979	4.1
71.63648	3.3
79.05489	22.6
81.07052	100.0
83.04948	5.1
83.08609	20.6
85.02910	8.8
85.06544	8.4
91.05470	15.3
93.07042	47.6
95.04945	10.1
95.08039	6.5
95.08597	79.7
95.09161	6.4
97.06463	4.4
97.10153	10.7
98.67663	3.4
99.57985	3.5
105.07030	20.7
107.04959	10.2
107.08596	39.5
109.06527	8.9
109.10143	49.5
109.89606	3.3
111.08090	8.2
111.11638	6.2
116.98613	5.1
117.06971	5.3
119.08549	17.4
121.06477	6.9
121.10136	39.0
122.03642	4.5
123.08080	11.2
123.11701	26.8
125.09660	6.1
127.03914	4.1
129.07051	7.5
131.04935	7.8
131.08578	9.2
133.06458	5.0
133.10095	14.6
135.11688	12.0
137.05965	73.4
137.09613	38.8
137.13254	16.8
138.06319	4.8
139.11176	6.7
143.08476	3.6
145.06429	5.2
145.10100	6.4
147.04456	5.4
147.08028	4.1
147.11655	13.0
149.09557	5.5
149.13263	19.3
151.07509	6.5
157.10100	4.5
159.08157	6.4
159.11681	6.3
161.06012	10.5
161.13289	10.1
163.11188	4.4
163.14827	9.4
165.12686	8.9
167.07085	4.7
171.11642	4.0
175.07542	10.5
177.12761	6.7
179.06911	18.5
187.07530	12.3
189.09102	3.7
189.16386	5.2
191.17998	4.8
207.17413	5.5
219.08078	5.8
248.08308	4.2
251.10446	4.5
259.24133	7.2
263.10599	4.4
275.23804	5.8
277.25296	9.6
279.10132	5.2
281.11627	5.8
287.23676	13.0
291.10089	6.9
293.24692	63.5
305.24731	32.0
309.11157	9.0
311.12482	8.2
323.25781	23.8
341.10287	7.5
341.13742	30.9
341.20950	5.3
359.02856	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05495	0.6
56.96542	1.0
60.14905	0.4
67.05476	1.8
68.99787	0.4
69.03426	0.7
69.07060	8.4
70.81558	1.1
71.04984	0.5
73.06544	0.9
77.65794	0.5
79.05468	1.0
81.03400	0.9
81.07070	2.3
83.04975	0.6
85.02883	0.6
91.05453	1.6
93.07024	1.9
95.04967	0.9
95.08587	1.8
97.06510	1.0
103.05431	0.7
105.06994	1.6
107.04948	3.8
107.08584	0.7
109.02882	0.5
109.06502	0.8
109.10132	0.6
111.04323	0.5
111.08058	0.5
116.98631	0.5
117.06992	0.7
119.04910	1.2
119.08542	1.9
121.02811	0.4
121.06506	3.7
123.04417	17.6
125.05933	1.5
125.92281	0.6
130.02641	0.5
131.04930	1.2
133.06473	0.6
133.10143	0.8
134.99559	0.5
135.04407	3.1
136.05177	0.7
137.05948	3.5
139.07515	1.3
145.06483	0.8
145.10121	0.9
147.04393	27.6
148.05200	4.5
149.02368	2.2
149.05965	6.1
150.06728	1.0
155.08636	0.5
159.08061	0.6
161.05954	1.8
161.09637	0.8
162.06567	0.4
163.03903	3.9
163.07521	1.4
165.06905	0.5
171.11809	0.6
173.05995	3.0
175.03848	2.3
175.07484	0.7
185.05980	0.9
187.07507	1.4
188.08069	0.5
189.09073	1.1
189.12779	0.5
193.04974	1.3
193.12245	1.2
194.14023	0.5
197.05916	1.4
199.07520	0.5
199.11174	1.3
201.09059	1.1
211.07567	2.5
212.08264	0.9
213.05434	0.8
213.09142	0.6
215.07036	1.4
225.29518	0.4
227.06934	1.1
227.10596	1.0
229.04956	14.3
229.08470	6.9
230.05193	0.7
239.07095	3.0
239.10771	0.7
240.07791	1.1
241.08546	2.7
244.07294	17.2
245.07744	0.6
249.82130	0.5
253.08537	1.1
255.10068	0.7
256.07306	0.5
257.08069	39.0
258.08389	1.8
266.09235	0.8
267.10037	1.3
269.10519	0.8
271.09607	4.7
272.10410	100.0
273.10785	4.4
287.11478	0.8
295.95963	0.6
309.14728	6.1
341.13870	0.8
341.17432	5.8
341.24860	1.2
341.28580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Gancaonin Z
Peak:m/z	Relative Intensity
55.05511	0.8
61.22823	0.8
63.68515	0.7
67.05511	3.4
68.99802	0.7
69.07064	31.4
70.07404	0.8
70.40880	2.6
79.05488	3.4
81.07042	2.3
91.05467	3.2
93.07029	2.6
95.04970	3.6
95.08601	3.0
95.45519	0.8
103.05476	1.1
105.07011	4.0
107.04942	2.8
107.08554	0.8
116.98610	0.7
119.04937	1.3
119.08554	1.9
121.06513	2.0
121.10070	0.7
123.04423	100.0
123.08085	1.3
124.04765	1.9
129.07027	0.8
131.08542	1.2
131.60524	0.7
133.06488	4.0
133.10138	1.5
134.07138	0.7
135.04428	2.1
135.08032	0.9
135.11668	0.8
137.05974	27.9
138.06335	0.8
142.07742	1.0
145.10069	1.2
147.04402	0.9
149.02336	0.9
149.05977	7.3
149.47398	0.8
151.07509	5.4
157.10077	0.9
161.05992	2.4
163.07527	13.1
163.08789	1.1
173.09593	1.4
175.07562	1.6
175.11276	0.7
177.09166	1.2
187.11223	0.8
189.09126	2.0
191.10623	7.7
205.12221	49.0
206.12592	2.7
217.12227	1.4
219.13791	8.9
231.13745	4.5
262.19675	0.7
271.09711	1.0
273.11176	1.3
285.11234	4.4
341.13846	1.0
341.17456	2.8
341.21097	1.6
341.24832	1.5
362.17004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1744
Annotation	4'-O-Methylpreglabridin
Peak:m/z	Relative Intensity
56.96566	2.8
57.03432	2.2
60.87382	1.5
67.05479	5.2
68.23539	1.5
69.07063	100.0
70.07386	1.6
70.52409	6.3
71.04965	1.8
71.52734	1.9
79.05473	7.3
81.07035	7.0
91.05460	8.0
93.07031	5.5
94.83472	1.5
95.04946	6.2
95.08572	5.1
97.06513	1.9
103.05421	1.7
105.07014	5.0
107.04943	11.7
107.08585	2.3
109.06397	1.7
116.98652	1.8
117.06980	2.7
119.08536	3.0
121.06477	3.8
123.04420	88.6
123.08106	2.1
125.05970	3.4
133.06499	2.7
133.10132	3.0
134.99669	2.7
135.04436	8.0
135.05397	1.6
135.08029	3.0
137.05966	90.1
138.06284	3.5
145.10109	2.9
147.04378	2.3
147.08049	1.9
149.02393	2.7
149.05946	9.9
151.07542	12.6
159.08026	2.1
161.05972	2.9
163.07530	18.4
173.09627	3.8
175.07500	3.6
191.10674	18.7
205.12234	28.0
219.13861	8.4
231.08862	1.7
269.10553	6.1
271.09573	3.3
285.08228	2.5
285.11224	14.4
287.11575	4.2
292.12048	2.0
323.12646	2.3
325.14728	2.4
341.13470	3.2
341.17111	4.7
341.24951	2.1
341.28403	12.7
342.14114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	5'-Prenyllicodione
Peak:m/z	Relative Intensity
51.02383	0.6
51.85706	0.4
53.00308	0.6
55.01865	1.4
56.96537	0.6
65.03933	3.1
65.32874	0.4
66.22164	0.3
67.05485	0.9
67.13271	0.4
67.64101	0.4
69.03411	0.9
69.07062	45.2
69.98382	0.6
69.98798	2.1
79.05486	1.5
81.03410	0.9
81.07051	1.4
81.77876	0.5
91.05475	1.7
93.03385	1.8
93.07033	1.2
95.04958	1.4
95.08581	1.3
97.02887	0.4
105.07065	1.0
107.04947	34.7
107.08562	1.0
109.06527	0.4
109.10130	1.0
111.04448	0.6
112.06879	0.4
115.05489	0.5
117.03372	0.5
119.04932	2.6
119.08575	1.0
121.02858	11.1
121.10133	1.1
123.04420	3.8
123.11749	0.5
131.01285	3.1
131.08551	0.7
133.10130	0.6
135.04439	3.7
135.11650	0.5
137.05972	1.6
141.07016	2.2
145.02818	0.9
145.10204	0.5
147.04358	0.4
149.02328	28.4
151.03914	4.3
153.06975	3.3
155.08533	4.2
157.06451	1.3
163.03900	7.2
165.06990	13.6
167.03389	100.0
168.03793	1.2
168.05678	1.2
169.06496	0.9
171.11749	0.6
175.07573	0.5
179.03419	1.6
179.10713	0.8
181.06425	1.0
182.07285	0.8
183.08043	12.0
185.06033	0.6
187.07483	0.6
191.03358	2.7
191.10571	0.5
193.06351	2.8
193.08000	0.5
194.07272	0.7
195.08112	0.9
197.05965	1.8
197.07637	0.5
199.07555	2.2
205.08583	38.5
206.08940	0.7
207.10211	0.7
210.06761	1.1
211.07523	27.2
212.07927	0.7
213.05444	1.5
219.08109	0.6
219.10133	1.7
221.05959	1.0
223.07474	0.6
226.06229	6.7
227.06966	4.8
238.06247	5.7
239.07008	98.2
240.07246	2.2
241.08600	0.9
247.09639	6.6
255.06499	3.5
257.08032	2.0
267.06497	7.5
267.13757	7.6
278.64087	0.6
285.07504	9.8
294.12524	3.2
295.13266	44.7
296.13583	1.4
311.12805	0.5
323.12772	14.2
341.13809	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Variecoxanthone A
Peak:m/z	Relative Intensity
55.01862	1.5
55.05499	0.8
55.14426	0.5
56.56989	0.4
56.96553	0.8
57.54936	0.4
58.59727	0.4
62.46963	0.4
64.73600	0.4
64.77221	0.4
64.79389	0.4
66.35720	0.4
67.05486	0.8
68.93391	0.4
68.99778	1.9
69.03417	0.5
69.06728	0.7
69.07068	10.3
70.07040	0.7
70.07387	2.2
71.04980	0.4
79.05505	1.0
81.03415	0.9
81.07061	2.1
83.21407	0.4
91.05468	1.2
93.07043	1.5
95.04955	0.5
95.08591	1.4
105.06986	0.6
107.04926	0.9
107.08552	1.8
109.06536	0.5
109.10189	0.7
111.08023	0.4
115.05423	0.5
116.98665	0.7
119.08570	0.9
121.02867	1.0
121.10130	0.7
123.04424	1.3
123.11691	0.5
125.09638	0.6
128.06212	1.2
129.06970	1.1
131.08560	0.7
133.10124	0.8
137.02350	2.2
137.05988	2.1
141.06979	0.9
143.08557	1.2
145.06412	0.6
145.10123	0.9
147.04401	1.5
147.11636	0.4
149.02325	1.6
149.09618	0.5
149.13284	0.5
153.07014	2.9
155.08591	0.6
157.06451	2.5
157.10063	0.5
159.08041	0.9
161.05954	1.0
163.03793	0.5
165.05655	0.5
165.06975	1.9
167.03497	0.5
169.06471	1.0
171.04440	1.1
171.08032	3.3
171.11656	0.6
173.06030	0.7
175.07498	0.8
179.03407	0.7
181.06462	5.7
183.07990	0.7
185.05952	4.0
187.07507	1.3
197.06010	2.2
199.07526	5.7
203.06909	0.4
209.05937	1.7
210.06792	1.0
211.07481	2.5
213.05460	3.9
215.07027	1.2
226.06064	0.6
227.07016	23.3
228.07449	0.6
228.15007	0.4
237.05496	0.7
239.06976	2.8
242.05719	2.1
243.06593	1.3
250.06252	0.5
253.08372	0.5
254.05675	2.8
255.06508	100.0
256.06888	2.3
267.06503	17.8
268.06946	0.5
281.08124	0.6
283.13266	4.2
285.07590	2.1
310.11920	0.8
311.12772	17.8
323.12744	12.4
323.19049	0.5
341.13840	6.6
341.17422	0.7
341.20905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.37870	0.7
55.01868	1.1
55.05505	2.8
57.03412	0.9
57.07055	1.1
65.03924	0.9
67.05501	3.9
69.03425	2.4
69.07055	4.6
71.00394	1.2
71.00736	1.3
71.04993	2.4
77.80579	0.7
79.05479	3.0
81.03421	1.9
81.07056	10.3
82.13987	0.6
83.04973	1.7
83.08594	1.9
84.08150	0.9
85.02856	1.7
85.06519	1.4
91.05456	5.2
93.07027	7.3
94.04171	2.6
95.04956	3.6
95.08604	7.1
97.02877	1.2
97.06525	1.7
103.05457	2.3
105.07026	4.0
107.04932	2.6
107.08586	4.0
107.67743	0.7
109.02892	1.1
109.06487	2.5
109.10155	5.6
110.09678	1.2
111.04440	1.9
111.08060	1.2
111.11693	0.8
113.06021	0.8
115.05455	2.0
117.07011	1.5
119.04960	0.9
119.08569	3.0
121.06533	4.5
121.10151	4.3
122.03649	6.0
123.04450	0.9
123.11693	3.0
125.05989	1.0
128.06209	0.8
129.06987	3.3
131.04935	2.3
131.08531	1.8
133.02846	2.8
133.06490	2.7
133.10103	2.5
135.08040	1.7
135.11681	2.8
137.05966	100.0
137.13255	2.3
138.06250	1.8
139.11105	0.8
143.08600	0.9
144.05675	1.4
145.06497	1.9
147.04428	0.9
147.11702	2.1
149.05971	2.2
149.13226	1.8
151.03885	1.9
151.07549	2.8
157.06487	2.1
157.10110	0.9
159.08089	1.1
159.11705	1.2
160.05186	2.0
161.06023	3.8
161.09608	1.2
163.07529	15.1
163.14708	0.8
165.05492	1.7
165.06964	1.0
165.78265	0.8
166.08638	2.4
167.07045	1.2
172.05183	2.0
174.06735	3.0
175.07535	19.5
175.09006	1.4
176.04585	1.1
177.05466	2.6
177.09116	1.6
177.16440	0.7
179.03424	0.8
179.07095	5.0
181.05045	1.1
185.05957	0.9
185.13326	0.9
187.07545	13.4
189.05484	0.9
189.09065	4.6
190.07753	1.5
191.07013	30.6
192.07487	1.1
192.09418	0.7
196.05145	1.2
197.05833	1.0
199.07483	1.6
202.07799	1.5
203.06985	1.0
203.08594	4.0
205.08585	29.8
206.07083	0.9
209.08014	6.2
211.07521	5.3
213.05415	0.7
217.08588	16.1
218.07269	0.8
219.08051	2.8
220.08812	2.5
227.07040	6.1
231.08113	6.9
232.08778	1.1
233.05838	0.9
233.09566	1.0
234.06850	1.0
235.07520	1.4
236.08405	1.0
237.09160	1.4
239.06947	4.1
240.07828	3.6
241.08551	1.5
247.07610	1.5
248.08322	7.1
249.05354	0.9
249.09023	2.1
250.06349	0.9
251.10652	2.3
253.08719	2.0
255.06514	4.8
256.07306	2.5
259.07495	3.1
260.08292	1.1
261.08984	1.3
262.09814	0.9
263.07059	1.1
263.10696	5.4
264.07892	1.4
265.08600	4.6
266.09409	1.5
267.09866	0.8
268.07510	1.0
270.08859	13.0
271.09604	12.9
275.23782	0.8
276.07785	4.5
277.08606	2.5
278.09338	1.0
279.10175	5.0
281.11725	1.6
283.09705	3.6
287.23898	1.0
291.10110	18.0
292.10754	1.7
293.08063	2.3
295.09583	1.6
296.10361	2.6
297.11166	1.2
299.12601	1.8
305.11508	1.0
305.24734	2.0
308.10461	2.6
309.11148	5.0
311.12695	5.2
313.14304	1.7
323.09341	0.9
323.12744	16.5
341.10269	2.0
341.13809	28.7
342.14316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Aphyllodenticulide
Peak:m/z	Relative Intensity
55.05495	0.6
56.96548	0.8
59.04990	1.4
67.05487	1.6
69.07053	1.1
70.95982	1.0
70.96330	0.8
79.05473	1.7
81.07043	1.6
91.05442	0.9
93.07022	1.3
95.04941	1.8
95.08609	1.3
97.02895	0.5
97.06433	0.4
98.97581	0.6
105.07004	1.0
107.04950	20.6
107.08603	1.0
109.10136	0.7
116.98643	0.6
119.08580	1.1
121.06477	1.1
121.10116	0.6
123.04430	10.1
123.11665	0.5
131.04932	0.6
131.08510	1.2
133.02837	0.9
133.10110	0.8
134.99664	0.8
135.04416	1.1
135.08080	0.5
137.05943	0.7
143.08514	0.8
143.99721	0.5
145.10114	0.7
147.04405	3.8
148.05209	4.1
149.02286	0.6
149.05951	1.8
149.09587	0.8
155.08566	1.1
158.01294	0.5
158.07346	0.6
161.05952	0.6
161.09576	3.3
165.06952	0.8
167.08614	0.6
171.08089	0.7
173.09618	1.9
174.06749	1.1
177.09116	9.1
179.03415	0.6
181.06488	0.6
181.90979	0.4
183.08029	0.4
184.44810	0.5
189.09106	5.6
195.08029	1.2
198.06648	0.5
207.10170	8.7
210.06572	0.6
211.07468	1.7
212.06375	0.5
212.08197	0.7
223.07513	1.5
225.08881	0.5
227.10620	2.1
237.05449	1.0
237.09264	0.6
239.07106	3.7
240.07645	1.7
241.08575	1.6
250.06206	1.4
251.06793	1.2
253.08707	3.3
254.09253	2.6
255.10217	2.6
265.04886	1.1
267.06537	3.2
267.08969	0.6
267.13828	2.0
268.07187	3.0
269.08005	2.9
269.10526	1.1
279.06509	0.8
280.07288	2.1
281.07980	2.3
282.08484	2.1
283.09357	1.5
283.13278	3.2
287.11703	0.9
293.08072	0.6
295.13193	2.5
311.12811	0.6
313.14304	21.5
314.14780	1.4
323.12729	2.0
326.11661	0.8
329.09003	0.5
340.28122	0.6
341.13797	100.0
341.28439	7.6
342.14267	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Futoenone
Peak:m/z	Relative Intensity
55.01864	0.4
55.05508	0.2
56.96551	0.3
57.07074	0.2
65.03926	0.1
67.05499	1.0
68.99779	1.0
69.07056	0.4
71.01329	0.2
79.05505	0.7
81.03428	0.1
81.07041	0.5
85.06517	0.3
87.99446	0.1
91.05455	0.3
93.07028	0.4
95.04967	1.4
95.08582	1.3
105.07039	0.5
107.04947	28.1
107.08562	0.6
108.05289	0.3
108.09940	0.1
109.06514	0.3
117.07020	0.4
119.04919	0.2
119.08578	0.5
121.02876	0.2
121.06484	0.4
121.10136	0.4
123.04420	11.3
124.04774	0.2
127.80376	0.1
128.06163	0.2
131.04892	0.3
131.08513	0.2
133.10101	0.2
134.03638	0.2
135.04437	0.7
135.08054	0.6
135.11667	0.1
137.05969	0.4
142.07710	0.2
143.08557	0.6
145.06470	0.4
146.07242	0.3
146.92825	0.1
147.04419	1.1
147.07973	0.2
149.02341	0.3
149.05971	0.9
151.03862	0.2
153.07039	0.1
159.08055	0.3
161.05949	1.0
161.09605	1.7
162.06332	0.4
163.07532	18.8
164.07887	0.5
165.07005	0.2
171.08015	0.4
174.06744	0.9
175.07545	0.2
177.09102	3.9
181.06512	0.2
184.05185	0.1
187.07484	0.2
188.08272	0.2
189.09099	3.6
197.05933	0.5
198.06827	0.2
199.07550	0.4
204.04788	0.2
207.10146	7.7
209.09653	0.4
210.06757	0.3
211.07498	0.5
212.04704	0.9
213.05432	0.1
215.07011	0.2
220.08823	0.4
222.06468	0.1
223.07558	0.3
225.09151	0.4
226.06201	0.4
227.07050	0.3
229.08623	1.2
235.07504	0.3
235.11191	0.6
236.08199	0.2
236.12062	0.2
237.09123	0.9
238.05870	0.2
238.09811	0.3
239.06970	0.8
240.07718	0.4
241.04889	0.2
241.08682	0.4
242.05696	0.3
248.08296	0.3
250.06177	0.3
251.07007	0.2
251.10789	0.2
252.07619	0.2
252.11447	0.8
253.08565	2.5
254.09021	0.4
255.06528	2.2
255.10068	0.6
256.07303	1.0
257.08005	0.7
263.10733	0.5
264.07626	0.4
265.08524	0.9
266.05646	0.4
266.09406	0.3
267.06708	0.2
267.10220	0.5
267.13776	3.2
267.16470	0.3
268.07220	0.7
268.10474	0.5
269.08121	1.0
269.11700	6.9
270.12277	0.2
277.08566	0.3
279.10187	0.3
280.07181	0.8
280.10571	0.4
281.07974	2.7
282.08807	1.0
283.06488	0.3
283.09619	4.2
283.13232	1.7
285.07495	0.2
293.08099	1.7
294.08670	0.4
295.09363	1.0
295.13235	1.3
296.10052	2.0
297.11115	2.7
298.11526	0.3
307.09735	0.2
308.10196	1.0
309.11029	0.2
310.11850	0.4
311.09082	1.1
311.12735	0.9
313.14319	20.4
314.14511	0.7
323.12631	0.5
326.11270	3.9
341.13776	100.0
342.14136	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01879	6.0
55.05513	1.1
55.74178	1.1
56.96573	1.9
57.03426	5.5
61.02929	6.2
61.15346	1.1
67.05510	2.1
68.99772	2.2
69.03426	35.3
70.06579	1.3
70.78240	3.1
71.04991	4.3
73.02900	7.5
73.06559	2.1
79.05483	1.4
80.00751	1.0
81.03416	19.7
81.07069	1.5
83.01311	1.2
83.04993	1.8
85.02901	100.0
87.00291	2.5
87.00826	44.5
88.03961	1.4
91.05457	7.1
96.04472	1.1
97.02888	35.4
98.97635	1.9
99.04455	11.0
103.05453	1.8
105.01860	93.0
108.04501	1.2
109.02870	28.8
110.06041	7.9
111.04421	1.8
111.06398	2.4
117.01847	2.0
118.06546	1.6
122.06006	3.3
123.02895	2.3
123.04456	1.4
127.03910	74.0
129.01846	2.2
129.95276	1.1
131.04927	1.8
132.08101	1.6
134.04501	1.5
135.04356	1.4
136.07588	2.6
137.05920	3.8
138.09151	2.9
139.03888	1.5
140.07056	3.9
143.06990	1.9
145.04950	33.5
147.02878	1.6
147.04390	1.6
148.04868	1.5
159.02892	10.0
160.07591	5.3
161.06006	1.4
161.08064	1.4
163.07542	2.2
164.07089	2.2
171.03001	1.1
173.28578	1.2
175.07492	1.3
177.05487	1.8
178.08641	2.5
179.03395	3.2
179.07019	1.2
182.08119	3.0
183.08496	1.4
189.03900	3.0
207.06496	3.3
213.03952	3.3
220.03207	1.6
231.04994	27.8
236.06317	2.4
249.05997	11.0
261.81479	1.2
274.40277	1.2
276.09491	2.0
283.08813	1.5
304.11676	2.5
308.09323	1.6
322.12930	1.8
340.10892	1.7
340.14709	1.5
358.08231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	Esculin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01869	0.5
55.05495	0.3
55.94567	0.2
57.03420	0.4
61.02915	0.4
61.15720	0.2
64.47111	0.2
67.05489	0.4
69.03432	1.0
69.07043	0.4
69.74680	1.3
71.04976	0.2
73.02901	0.3
73.04752	0.4
79.05486	0.2
81.03401	0.6
81.06999	0.3
84.08128	0.5
85.02898	2.2
85.46738	0.2
87.04455	0.4
89.03889	0.4
89.06017	0.3
91.05757	0.7
94.06475	0.2
95.04948	0.4
97.02876	0.8
98.21466	0.4
98.97576	0.4
103.03938	0.3
103.05421	0.4
105.03368	0.5
105.07041	0.6
107.04948	0.5
109.02869	0.7
109.06541	0.2
116.98618	0.4
117.03366	0.3
117.07009	0.2
119.04965	0.3
119.08559	0.3
122.06005	0.2
123.03555	0.4
123.04427	6.3
127.03908	0.6
131.04922	0.4
133.02838	5.0
133.06462	0.3
134.99600	0.3
135.04407	1.5
135.08145	0.2
136.07567	0.6
137.02345	0.5
137.05959	1.5
140.06958	0.2
141.05444	0.3
145.04996	0.3
147.04387	0.5
147.11351	0.2
149.05939	0.2
151.02737	0.2
151.03911	3.4
161.02298	1.3
161.05988	0.4
162.05455	0.4
163.03897	0.4
163.07500	0.2
164.07069	0.8
165.05432	0.4
175.03806	0.3
175.07533	0.3
177.00706	0.3
177.05486	0.6
179.03381	100.0
180.03696	1.4
181.04897	0.3
182.08141	0.5
187.07533	0.6
189.09090	0.2
191.03294	0.2
193.05008	0.2
195.11255	0.4
205.04950	0.3
207.02951	0.6
217.05006	0.2
217.08519	0.3
219.06537	0.3
233.08012	0.3
237.02887	0.3
279.10245	0.2
309.85480	0.2
323.07632	0.9
323.12787	0.3
324.11044	0.2
341.08386	1.8
341.12308	0.9
359.02753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03919	3.5
55.05513	13.9
56.96553	2.9
57.03421	4.5
57.07074	11.7
57.07320	2.6
58.68403	2.3
67.05501	84.2
69.03430	3.2
69.07064	16.4
69.98501	2.4
71.05009	3.6
71.30133	6.0
73.86094	2.5
75.41669	2.6
79.05486	48.3
81.03434	2.3
81.07052	80.9
83.04970	3.1
83.08618	8.1
85.06530	3.7
91.05476	25.2
93.07040	69.2
95.04961	4.7
95.08598	80.4
95.83340	2.5
97.06506	5.4
97.10145	4.5
98.97572	3.8
99.08091	3.3
105.07021	24.8
107.04930	3.9
107.08594	45.2
109.06564	3.4
109.09438	2.1
109.10147	51.3
111.08068	2.9
116.98621	9.8
117.07015	10.2
119.08569	26.0
121.06475	2.9
121.10136	54.0
121.15364	3.2
122.10561	3.2
123.11707	19.2
127.03858	2.4
131.08560	23.8
133.10118	26.5
134.10480	2.7
134.99641	8.3
135.11688	33.1
137.13266	4.8
145.10124	21.0
147.11659	22.3
149.09612	3.9
149.13269	22.4
151.11256	2.6
151.57597	2.3
159.11676	16.7
161.13271	4.1
163.14853	8.6
173.13304	16.5
175.11058	5.7
187.14836	5.0
191.14391	2.6
199.48624	2.4
219.21007	4.5
229.19542	32.3
247.20558	100.0
248.20911	5.1
255.06621	3.7
265.21744	4.9
265.50476	2.6
274.97412	14.3
283.06158	6.3
283.16864	39.1
284.17328	3.7
292.98367	17.2
297.99158	3.9
303.22961	3.0
321.24243	9.2
323.11957	2.9
339.11957	16.8
339.14902	3.9
339.15707	4.8
339.25296	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.07005	1.5
55.01863	2.5
55.05507	14.7
57.03431	1.6
57.07073	7.5
59.04998	1.9
65.03948	3.3
67.05503	25.7
69.03426	13.4
69.07069	35.6
70.90202	2.7
70.90549	3.1
71.04987	11.1
71.08621	2.0
72.92075	1.3
79.05487	14.7
81.03398	4.5
81.07055	100.0
82.07404	2.8
83.04942	3.2
83.08611	5.6
85.06537	15.6
91.05462	11.1
93.07043	35.9
95.04966	7.3
95.08605	62.7
97.06506	5.7
97.10156	7.2
99.04442	1.6
99.08090	3.7
105.07024	22.6
107.04882	1.8
107.08588	37.5
109.02837	1.8
109.06507	13.9
109.10152	43.4
111.08078	4.2
111.11710	5.1
113.06044	2.5
113.09607	1.9
117.03387	4.6
117.07024	4.2
119.08571	25.0
121.06491	5.9
121.10139	40.0
123.08100	4.5
123.11706	42.4
125.09608	5.8
127.11195	3.3
131.04996	1.5
131.08556	5.4
133.10135	17.5
135.07999	3.5
135.11687	33.7
137.05968	3.8
137.09625	23.0
137.13257	24.7
139.11147	8.6
141.12753	7.8
143.08543	2.5
145.02873	13.9
145.10110	12.2
147.04321	1.8
147.08054	3.6
147.11705	20.2
147.23947	1.7
149.05936	2.8
149.09613	8.0
149.13254	10.0
149.52785	1.5
151.11212	3.7
153.12706	3.0
155.08499	1.6
155.10690	1.7
157.10138	7.1
157.12228	3.6
159.08005	2.1
159.11684	10.3
161.05922	1.6
161.09639	8.0
161.13252	5.9
163.03947	1.7
163.11171	7.1
163.14793	3.4
165.09106	22.5
165.12743	9.0
167.10715	5.3
171.11739	3.0
173.09612	2.3
173.13275	6.0
175.11189	19.5
175.14804	8.3
177.05498	22.9
177.12755	4.3
177.16339	5.6
179.10675	3.6
181.12299	3.8
183.10161	2.6
183.11655	1.9
183.13737	2.4
185.13158	1.7
187.14813	4.7
189.12727	2.6
189.16348	4.1
191.17838	2.0
193.12263	5.4
197.05907	2.1
199.14870	6.4
201.12843	2.3
201.16374	3.4
203.14313	2.4
205.15877	2.1
211.14833	2.0
213.16425	2.5
215.07124	1.7
215.14409	2.3
215.17876	4.3
217.15912	2.1
219.08057	2.1
219.17471	3.8
221.15392	1.7
225.16335	1.7
229.15915	3.6
233.19011	4.0
235.07513	2.1
235.16833	2.8
239.07037	4.0
243.21075	5.3
247.07590	3.3
247.17033	2.0
250.06136	1.9
257.22787	2.9
261.09317	2.9
261.22067	3.4
263.06906	2.4
265.08496	2.1
267.06461	12.8
267.21063	4.8
275.23657	5.3
277.08508	2.1
278.05713	4.4
278.09454	2.0
279.10172	4.9
281.08051	2.9
283.05960	10.7
285.22153	15.5
292.06958	2.1
303.23187	57.8
304.23447	3.7
307.09552	5.3
311.12881	3.1
321.10428	1.8
321.24280	28.4
322.24994	1.7
339.09036	1.4
339.12311	25.9
339.25244	12.0
340.12628	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.1
55.27903	4.1
56.96572	6.5
57.03433	6.1
57.07059	9.1
67.05500	71.6
69.07056	16.8
70.75222	12.3
71.05002	4.5
79.05486	40.2
81.07054	87.8
83.08638	7.3
88.27628	3.7
91.05478	22.1
93.07049	56.3
94.52149	4.4
95.04981	7.8
95.08604	78.3
97.06528	4.8
97.10157	4.9
98.97561	4.9
99.08097	4.1
105.07011	28.7
107.08587	46.8
109.10154	44.8
110.37096	3.9
113.62101	4.0
116.98602	13.3
117.07013	11.9
119.08572	19.2
121.10129	36.4
123.11713	20.0
131.08533	18.6
133.10132	16.8
134.99640	12.3
135.11682	31.9
145.10086	19.2
147.11667	13.5
149.13234	20.0
159.11702	18.4
163.14818	9.7
172.59105	3.8
173.13245	12.7
175.44794	4.2
177.01859	4.8
183.60577	4.2
191.90079	4.2
205.12215	9.9
219.06474	40.2
219.21159	7.1
229.19511	33.9
247.20552	100.0
248.20869	7.4
274.85281	4.5
274.97491	17.7
283.06070	10.9
291.10696	4.5
292.98474	17.0
317.19586	8.7
321.24136	7.4
335.20792	9.0
339.12256	23.9
339.15991	7.6
339.19266	31.0
339.24829	22.6
340.12476	8.1
340.16330	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03934	2.3
55.05508	11.6
57.03432	7.6
57.07058	3.8
65.03925	3.6
67.05499	84.2
69.07062	13.0
71.04982	3.1
71.08606	1.0
71.36790	1.6
75.04461	2.5
79.05486	37.3
80.05789	1.0
80.74966	0.9
81.07050	95.7
83.04997	1.5
83.08613	7.4
85.06532	3.0
91.05473	18.5
93.07035	53.4
95.04961	4.0
95.08598	90.6
96.08904	1.2
97.06509	3.3
97.10178	4.8
98.97546	1.4
99.08077	2.7
105.07018	19.9
107.04967	1.3
107.08587	37.8
109.06463	1.6
109.10144	49.0
111.08060	2.2
113.09613	1.4
117.07024	7.7
119.08575	17.0
121.10137	36.7
122.10449	1.0
123.08054	2.4
123.11698	15.4
125.09629	1.8
131.07707	1.5
131.08574	18.2
133.10126	15.9
135.11676	31.5
135.12703	2.1
137.09587	1.9
137.13237	4.5
139.11186	2.6
145.10109	22.1
147.11673	14.6
149.09534	1.0
149.13249	24.1
151.11185	1.6
153.12686	0.9
157.10164	1.2
159.11685	19.2
161.13251	4.1
163.11203	1.2
163.14818	8.1
165.12750	2.6
173.13239	11.9
175.14751	2.5
177.12778	2.2
187.14764	5.1
189.16368	1.0
191.14267	2.1
193.58929	1.1
195.13799	1.3
201.16357	2.2
209.15181	1.5
213.06042	0.9
219.21004	5.6
229.19493	32.6
230.19745	1.4
247.20557	100.0
248.20822	3.5
265.21588	6.3
274.97452	2.1
283.05972	1.3
283.17001	1.3
303.23215	1.7
321.24255	17.5
339.12012	2.3
339.15866	2.0
339.25244	35.4
340.25488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.57091	1.5
55.01865	2.8
55.05507	27.1
56.77411	1.5
57.03427	2.8
57.07071	12.5
59.04996	3.6
61.02912	1.9
63.83553	1.7
63.85906	1.6
67.05501	34.8
69.03424	19.3
69.07063	100.0
70.77207	3.6
70.77583	3.3
71.04984	10.7
71.08628	5.5
79.05480	19.0
81.03432	4.8
81.07051	93.1
83.04967	5.6
83.08623	23.5
85.02935	2.2
85.06537	7.2
89.60114	1.7
91.05486	14.9
93.07043	55.4
95.04981	14.0
95.08604	65.4
97.06517	14.8
97.10165	7.3
99.04485	3.8
99.08107	4.6
103.03879	1.7
105.07023	23.2
107.04945	3.3
107.07859	3.5
107.08587	62.9
109.06512	16.1
109.10149	90.5
111.08094	11.6
111.11715	15.9
113.09634	2.4
114.96128	1.5
115.03906	2.1
115.07592	1.6
117.03387	5.0
117.07018	3.9
119.08580	27.7
121.06493	10.1
121.10141	28.3
122.10578	1.9
123.04337	1.8
123.08080	6.6
123.11707	24.8
125.05987	5.5
125.09615	5.3
125.13279	2.7
127.07544	2.6
127.11181	8.9
129.07054	1.8
131.04884	2.1
131.08551	10.1
133.10127	18.8
135.04417	2.3
135.08046	21.9
135.11699	29.0
136.08337	1.9
137.05971	9.5
137.09605	22.7
137.13258	10.3
139.11177	5.2
143.07002	4.4
143.08557	2.3
145.02832	10.6
145.06279	2.0
145.10153	11.3
147.08044	4.0
147.11687	14.0
149.09593	13.7
149.13226	13.6
151.11183	31.4
153.09125	5.1
153.12746	34.9
155.07053	2.0
155.10663	6.8
157.10100	3.4
159.08029	5.7
159.11714	7.6
161.05983	2.3
161.09607	7.0
161.13284	7.1
163.07550	4.2
163.11183	3.7
163.14821	4.9
165.09099	14.7
165.12756	4.2
167.10669	9.7
167.14304	3.0
169.12259	6.9
171.13844	4.7
173.09657	2.3
173.13246	5.4
175.11183	3.8
175.14804	6.8
177.05458	20.9
177.09093	9.8
177.12767	2.6
177.16417	6.0
179.10666	18.5
181.12233	2.3
183.10173	1.9
184.00060	1.8
187.14856	2.6
189.16402	2.7
191.10661	6.9
193.12236	3.4
193.15877	4.0
195.10155	9.3
195.13713	1.8
195.17508	2.6
197.11688	5.5
199.14809	2.6
201.12692	2.4
201.16360	3.7
203.18051	2.6
207.08214	2.0
217.15826	3.9
219.08054	5.7
230.07237	2.0
235.07513	3.4
235.16896	2.6
243.21039	4.4
247.07555	4.8
249.09186	2.9
251.10406	1.8
253.17995	2.6
257.22464	3.7
261.22131	5.7
263.07153	2.3
264.07645	3.5
267.21136	3.5
275.23688	8.0
279.10211	3.0
279.23209	4.6
285.22040	10.1
293.24591	2.3
297.11136	2.3
303.23181	36.7
304.23352	2.1
307.09671	9.5
311.12762	3.8
321.09915	2.0
321.24243	48.8
322.24780	3.9
339.08688	2.8
339.12274	18.0
339.25320	28.3
340.12625	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	3.5
55.01875	1.8
55.05505	16.7
57.03443	1.7
57.07064	6.0
59.04993	2.1
59.70844	1.4
67.05498	35.3
69.03424	12.0
69.07062	39.2
69.89119	6.4
70.04356	1.5
71.04623	1.4
71.04979	7.5
71.08630	2.2
73.06569	1.7
79.05489	15.3
81.03425	1.9
81.07053	89.6
83.04970	2.6
83.08608	10.0
85.06533	9.1
91.05482	11.8
93.07037	43.6
95.04974	20.0
95.08599	60.6
96.08965	1.6
97.06519	8.8
97.10157	10.2
99.08071	3.2
101.06027	1.6
105.07030	25.0
107.08590	35.8
109.06504	12.2
109.10149	69.6
111.08096	4.4
111.11713	4.3
117.03347	2.9
117.07019	2.1
119.08579	27.2
121.06504	7.4
121.10135	43.1
123.08064	5.0
123.11694	28.8
125.06042	1.5
125.09624	3.4
127.07549	4.3
131.08568	6.6
133.10120	13.8
135.08070	4.8
135.11691	28.2
137.05991	5.5
137.09604	72.7
137.13220	10.2
139.11147	5.8
145.02875	6.2
145.10118	10.8
147.08098	7.1
147.11708	14.6
149.09619	5.8
149.13232	6.7
151.11162	9.0
153.09100	2.7
153.12740	9.1
155.10683	6.7
157.10094	3.3
157.12271	2.9
159.11681	8.8
161.09639	7.2
161.13255	5.2
163.11157	8.0
163.14745	2.4
165.09105	100.0
165.12756	5.8
166.09433	3.3
167.10683	5.4
169.10135	1.6
171.11765	2.4
173.13290	4.4
175.11165	6.9
175.14848	5.3
177.05457	10.4
177.09004	1.9
177.12740	2.8
177.16406	4.1
179.10703	13.8
181.04985	1.5
181.12248	3.9
183.10207	9.5
183.13838	2.7
187.14781	3.9
189.12796	3.1
189.16286	2.7
191.10780	2.0
193.12343	3.4
193.15891	2.5
195.17432	2.1
201.11235	1.8
201.16397	4.1
203.17957	2.0
205.15897	4.3
211.14833	2.2
215.14183	1.8
219.08165	2.0
235.16943	3.0
243.21083	4.4
247.07515	2.4
247.16992	3.2
257.22708	4.8
261.22278	3.0
263.07062	1.9
264.07785	1.6
265.08694	2.1
267.20996	7.2
275.23666	4.2
278.09241	1.8
279.10254	2.1
285.22165	12.3
303.23157	33.5
307.09518	3.8
308.09937	1.6
321.10593	1.4
321.24173	37.5
322.24573	2.7
339.12177	12.3
339.25284	26.3
340.12131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	2.0
55.05515	15.1
57.03433	7.4
57.07068	4.4
65.03938	1.9
67.05502	100.0
68.05840	1.2
69.03407	1.0
69.07065	14.2
69.24480	1.0
69.97089	3.0
69.97503	2.9
71.04999	1.4
71.08635	2.5
75.04464	1.8
79.05488	37.8
81.07054	96.3
82.07387	1.8
83.04990	1.9
83.08625	8.0
85.06543	3.2
91.05484	21.1
93.07040	57.1
95.04972	5.1
95.08604	91.1
96.08947	2.0
97.06523	3.1
97.10168	3.3
98.97604	2.4
99.08092	3.0
105.07026	19.7
107.04934	1.4
107.08593	40.5
109.06507	1.9
109.10150	47.6
110.10542	1.5
111.08082	1.7
111.11736	1.6
116.98617	3.1
117.07009	9.9
119.08572	20.1
121.10142	39.3
122.10470	1.4
123.08065	2.2
123.11711	16.5
125.09610	2.7
130.07805	1.1
131.08568	17.1
133.10117	16.5
133.11050	1.2
134.99626	3.0
135.11685	31.6
137.05983	1.5
137.09636	4.0
137.13264	4.8
139.11185	2.4
145.10110	21.5
147.04359	1.5
147.11697	16.7
149.09634	1.4
149.12141	2.1
149.13242	19.5
151.11226	1.7
152.75215	1.0
153.00798	1.2
158.91441	1.1
159.11691	19.0
159.12856	1.8
161.13264	5.1
163.07558	1.9
163.14818	8.2
165.12776	3.4
173.13251	12.9
175.14815	1.3
177.12862	2.3
187.14830	4.9
201.16377	2.0
205.12231	3.1
219.21101	4.1
229.19527	29.3
230.19809	1.7
247.20563	99.9
248.20865	7.3
255.06459	1.3
265.21567	7.6
269.08090	1.2
270.08789	1.2
274.97464	3.7
279.51987	1.3
283.06091	2.0
283.16983	1.8
292.98560	4.2
303.23181	2.1
318.84418	1.1
321.24228	16.4
322.24292	1.8
322.27609	2.4
339.12140	2.0
339.15894	5.6
339.25351	29.7
340.25668	2.7
341.79803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03943	1.6
55.01864	2.4
55.05509	13.5
57.03423	2.1
57.07070	6.2
59.04988	2.1
59.19123	0.6
65.03929	1.6
67.05500	31.7
68.05802	0.8
69.03426	8.9
69.07064	28.3
70.52924	2.2
71.04997	5.3
71.08616	0.8
79.05490	15.5
81.07053	100.0
82.07395	2.2
82.30312	0.6
83.04971	2.5
83.08614	7.3
85.06541	24.7
91.05481	9.5
93.07040	36.8
94.07345	1.1
95.04964	10.3
95.08601	59.8
95.14683	0.6
96.08951	1.0
97.06518	5.9
97.10154	4.9
99.04440	1.2
99.08101	2.7
101.06000	1.1
103.05424	0.8
105.07027	27.0
105.80363	0.6
107.08587	40.5
108.08916	1.1
109.06508	8.8
109.10149	42.0
110.10474	1.1
111.04436	1.1
111.08060	3.5
111.11717	2.6
113.06034	1.6
113.09604	1.3
117.03398	0.6
117.07002	2.3
119.08572	25.9
121.06509	4.2
121.10136	35.3
122.10486	0.7
123.08076	4.6
123.11704	44.5
124.12012	1.7
125.05988	1.3
125.09607	5.8
127.07595	2.1
127.11164	1.1
129.05505	0.7
129.06960	1.3
131.08557	6.1
133.06473	0.8
133.10123	19.1
135.08067	2.3
135.11682	26.2
136.11978	0.9
137.05988	1.6
137.09608	31.4
137.13246	9.3
139.07536	1.1
139.11180	6.8
142.07843	0.8
143.08586	2.4
145.02835	1.4
145.10117	11.5
146.07359	0.8
147.08020	5.7
147.11685	19.9
148.12044	0.8
149.05946	0.7
149.09604	6.5
149.13254	9.9
151.07434	0.7
151.11194	2.3
153.09135	2.6
153.12741	1.5
155.10701	2.8
157.10173	3.2
159.08072	0.7
159.11681	9.7
160.08745	0.8
161.09616	13.3
161.13234	7.9
163.11125	4.2
163.14803	4.2
165.09108	30.5
165.12712	4.3
166.09471	0.9
167.10678	7.6
167.14415	0.8
169.10130	1.3
171.11710	2.2
173.09586	1.3
173.13254	4.8
175.11174	9.3
175.14803	7.2
175.16042	0.6
177.05450	3.7
177.09154	0.7
177.12828	2.7
177.16376	8.1
179.10645	6.0
181.10886	0.7
181.12247	3.9
183.10231	2.1
183.11751	1.0
183.13812	1.4
185.13249	1.6
187.11143	1.2
187.14821	5.0
189.12756	2.1
189.16415	4.1
191.10698	1.4
191.14365	1.1
191.18010	1.8
193.12225	7.8
193.13867	0.7
193.15883	1.6
197.13283	1.4
199.14900	2.0
201.12865	1.5
201.16293	3.9
203.14366	2.1
203.17975	3.0
205.15929	2.7
207.13864	1.3
207.17516	1.4
211.13164	1.5
211.14905	3.0
215.14322	1.8
215.18027	1.2
217.15889	1.3
219.17397	8.5
221.15373	1.9
225.16435	0.8
227.17912	0.9
229.15897	2.7
233.15514	0.8
235.17046	1.4
243.17532	0.7
243.21034	6.3
247.16882	4.1
253.17937	1.0
254.03482	0.7
257.22580	4.6
261.22122	1.6
262.96014	0.7
267.21051	7.1
273.22147	0.8
275.23788	2.7
277.25238	1.2
285.22119	11.0
286.22717	1.0
289.65448	0.8
293.24887	0.9
295.26236	0.7
303.23145	26.0
304.23672	1.8
311.12860	1.1
321.24210	24.5
322.24597	2.4
339.12357	2.7
339.25281	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	339.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.96549	0.6
57.42389	0.4
67.05482	1.2
69.07046	1.6
71.05889	0.8
79.05478	0.8
81.03404	0.6
81.07034	2.3
83.08600	0.8
85.02876	0.6
91.05444	1.0
93.07024	1.2
95.08603	1.7
97.02885	0.4
98.97587	0.9
105.07020	1.5
107.04929	1.9
107.08588	1.5
109.10146	0.9
111.08125	0.4
113.06180	0.4
116.98608	1.6
119.08524	0.5
121.10115	0.8
123.04396	1.1
123.11654	0.4
131.08571	0.8
134.99612	0.8
135.04388	1.0
135.11678	0.4
137.05981	0.5
145.10101	0.7
147.04395	0.6
147.11641	0.6
161.05984	0.5
165.09100	0.4
165.12723	0.4
173.34702	0.5
177.05473	1.1
181.06528	0.5
197.06047	0.8
217.66370	0.5
227.07016	0.7
227.10623	0.9
240.85857	0.4
241.66890	0.4
255.06549	0.7
259.67090	0.4
265.05054	1.9
265.08499	0.4
266.05820	1.6
274.97531	2.1
283.05945	2.6
283.13974	0.9
292.98422	1.0
322.11966	0.8
328.37988	0.4
339.17792	100.0
340.08588	0.5
340.12817	0.8
340.18115	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03935	2.6
54.18838	0.9
54.90974	1.0
55.01866	4.0
55.05508	30.2
55.14817	0.9
57.03422	1.9
57.07072	13.1
59.04992	2.8
65.03935	3.6
67.05500	34.4
68.05817	1.2
69.03426	17.8
69.07063	70.0
70.02326	5.5
71.04983	7.8
71.08640	5.2
75.59812	0.8
77.03908	1.2
79.05487	21.9
81.03413	1.3
81.07052	100.0
82.07384	2.1
83.04979	6.6
83.08611	37.9
85.02885	2.9
85.06541	16.4
85.10169	3.8
87.04426	0.9
91.05472	17.8
93.07037	59.5
94.07389	1.2
95.04957	20.5
95.08599	82.9
96.08925	1.3
97.06525	9.5
97.10168	14.2
99.04440	2.7
99.08084	4.2
101.06021	1.7
103.03938	3.6
103.05432	1.2
105.07029	28.6
106.07381	1.2
107.04951	5.2
107.08585	58.9
108.08876	1.5
109.06512	26.2
109.10149	55.4
110.10476	2.0
111.04411	1.0
111.08084	15.3
111.11681	6.8
113.05990	2.8
115.03928	1.0
115.05469	1.4
116.98653	1.0
117.03407	2.2
117.07014	6.2
117.74205	0.9
119.04903	1.8
119.08571	39.0
121.06488	16.7
121.10134	34.2
123.08066	9.1
123.11700	27.6
124.11995	1.0
125.05977	7.4
125.09624	5.6
125.13299	2.6
127.07569	4.9
127.11190	1.1
129.06960	1.9
131.08549	12.2
133.10115	26.6
135.04362	1.6
135.08044	46.3
135.11685	21.5
136.08339	1.7
137.05971	8.0
137.09607	34.8
137.13246	18.2
139.07536	3.4
139.11195	4.7
143.07001	1.7
143.08549	3.3
145.02855	4.5
145.06525	1.0
145.10114	16.3
146.07121	1.2
147.08087	4.7
147.11684	16.3
149.05994	1.3
149.09631	10.4
149.13245	20.6
151.03810	1.2
151.11189	7.5
151.14807	3.7
153.09079	6.8
153.12776	2.3
155.07014	4.7
155.10663	3.4
157.10106	4.4
159.08046	15.6
159.11687	12.1
161.09621	14.1
161.13222	7.5
163.07549	8.1
163.11189	5.3
163.14813	7.0
165.09109	17.0
165.12755	2.6
165.16379	3.6
167.10640	4.5
167.14316	6.5
169.10143	1.7
171.10239	1.0
171.11646	2.8
173.09572	5.9
173.13240	8.3
175.11159	5.7
175.14819	13.3
176.89101	1.0
177.05460	7.7
177.09108	15.5
177.12759	2.0
177.16393	14.2
179.10637	16.4
179.12126	1.1
181.08632	2.7
181.12257	1.3
183.10117	2.1
183.11670	2.1
185.13226	1.8
187.07559	1.2
187.11147	2.7
187.14781	7.3
189.12764	1.7
189.16293	5.1
191.10703	8.0
191.14297	2.6
191.17928	4.0
193.12213	5.4
193.15877	9.1
195.10168	12.9
195.17421	5.3
197.11700	8.6
197.13287	1.8
199.14862	1.5
201.12764	2.7
201.16370	4.2
203.14229	1.8
203.17975	4.9
205.12202	1.5
205.15881	2.9
207.13797	2.7
207.17436	2.4
209.11737	1.0
209.18983	1.9
211.14880	1.8
215.14278	3.2
215.17966	1.3
217.15982	1.7
218.07283	1.4
219.08092	1.2
219.13832	1.4
219.21048	2.0
221.15205	1.4
221.18916	0.9
229.15869	3.9
229.19475	1.3
233.15347	2.4
234.10751	1.0
235.16905	1.0
237.05638	1.1
241.19368	1.1
243.17406	2.0
243.21095	11.4
247.16902	2.6
251.10680	1.0
257.22665	4.7
259.24179	3.1
261.22086	8.7
263.07281	1.4
264.07956	1.2
265.08621	1.2
267.21042	4.0
275.23691	8.7
277.08591	1.4
279.10132	1.5
279.23166	8.5
285.22107	13.4
293.24591	2.7
303.23169	51.4
304.23492	3.7
307.09711	2.8
308.10776	1.0
311.12674	1.9
321.11008	1.6
321.24219	80.0
322.24588	4.8
339.08368	1.5
339.12256	11.0
339.25253	25.5
340.12534	1.1
340.25714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Crotaramin
Peak:m/z	Relative Intensity
55.01875	2.6
55.05499	2.4
56.96548	2.7
57.51304	1.9
62.04647	2.1
67.05486	3.9
68.99803	2.6
69.07066	56.2
70.80502	1.8
71.58453	4.2
79.05469	9.3
81.03414	2.8
81.07053	12.9
81.74681	2.0
83.08599	3.2
91.05500	6.5
93.07023	6.6
95.04964	4.7
95.08612	6.5
95.27754	1.9
98.97575	6.4
103.16171	2.2
105.07021	6.0
106.70721	2.2
107.04948	100.0
107.08570	4.1
109.10121	2.4
116.98634	6.6
117.06922	2.6
119.04938	4.6
119.08601	3.1
121.02881	9.6
121.06491	5.0
121.10139	4.2
123.04420	36.4
125.06006	5.2
131.04953	4.7
131.08536	2.1
133.06525	2.7
133.10049	4.4
134.99654	9.1
135.04448	10.2
135.08066	5.5
137.02321	3.2
137.05965	69.1
145.06482	2.5
147.04384	24.4
147.08070	5.2
148.05197	4.4
149.02324	6.6
149.05978	3.8
151.03911	2.2
151.07541	15.0
158.01231	2.9
160.05153	5.9
161.02319	7.8
161.05960	8.9
163.03897	4.8
163.07542	42.7
165.09038	2.8
167.03313	2.0
169.10193	2.5
171.08022	4.5
173.05983	7.2
174.06812	3.0
175.07497	10.9
177.09091	4.7
181.06441	6.6
182.07220	2.7
185.05978	7.3
187.07567	6.0
187.11063	2.7
188.08305	2.6
189.09132	6.8
191.10597	2.6
196.08708	2.2
197.09596	2.3
199.07526	5.3
200.08319	3.1
201.05466	4.8
201.09120	2.9
203.07021	68.8
203.10683	3.4
205.12212	38.4
214.09789	3.1
215.07111	15.2
215.10648	26.2
217.12195	2.5
223.07527	6.4
227.07056	5.3
229.12241	26.6
232.08888	4.4
237.05560	2.3
239.07060	6.9
243.06493	5.7
245.08028	6.4
247.11215	5.4
250.09877	3.4
251.06987	2.8
253.04961	7.9
254.05632	2.9
255.06544	13.7
255.09836	2.1
256.07208	3.2
265.12274	27.3
269.08054	47.9
270.08844	24.3
271.06064	24.5
271.09229	4.0
274.97473	10.5
277.08643	5.4
283.05988	44.8
283.09653	21.0
284.06311	3.5
292.98566	7.6
293.11673	42.7
294.11987	2.6
296.10397	3.9
297.11194	5.7
309.10580	2.3
321.11218	16.0
339.12180	75.3
339.15842	76.7
339.22882	4.2
339.27078	4.8
340.12411	4.6
343.05640	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1589
Annotation	Bidwillol A
Peak:m/z	Relative Intensity
53.03935	0.6
55.01846	1.0
57.07066	0.4
65.03909	0.6
67.05486	0.9
68.99776	1.1
69.07063	11.8
70.62865	1.0
70.63250	0.8
79.05492	5.6
79.58704	0.4
81.07069	2.2
91.05479	10.9
92.05795	0.5
93.07033	1.8
94.88885	0.4
95.04934	1.8
102.65347	0.4
103.05446	1.6
105.07025	13.9
106.04173	0.6
107.04957	3.7
107.08551	1.3
109.06480	0.7
115.05415	0.9
117.07011	1.3
118.92888	0.4
119.04940	8.0
119.08580	5.1
121.06503	5.0
123.04430	6.0
124.05083	0.4
129.07007	1.2
130.07759	0.7
131.08531	0.8
133.06488	9.4
133.10097	1.3
135.04414	1.0
135.08037	1.3
137.05956	3.2
142.07747	1.7
143.08586	0.4
145.06483	1.5
145.10101	1.7
146.07268	0.8
147.04399	21.9
147.08032	1.7
147.11668	1.1
148.04704	2.5
149.05977	6.9
151.07515	2.0
155.08594	0.6
157.10143	1.7
159.08061	1.0
159.11702	0.4
160.05255	0.5
160.08823	1.5
161.05963	4.2
163.03943	0.6
163.07538	21.5
163.11177	0.5
171.08051	0.5
173.09616	4.7
175.07526	2.6
175.11162	1.8
176.08252	0.6
177.09064	1.0
177.12737	1.0
181.06419	0.9
182.91866	0.4
183.08118	0.5
187.07503	0.7
187.11165	1.7
187.43976	0.5
189.08998	0.7
190.09662	0.7
191.10628	2.7
193.12224	1.7
198.06850	0.7
199.07600	1.2
199.64909	0.4
201.09116	1.0
205.12228	100.0
206.12534	2.3
209.05878	0.8
210.06731	0.7
211.07523	0.5
213.09109	0.7
214.09770	0.5
215.10559	1.0
217.12227	3.8
223.07561	0.5
225.05510	0.5
226.06123	1.0
227.06998	1.6
229.12270	1.2
237.05490	0.8
238.06340	0.5
239.07079	2.8
241.08633	1.6
243.10042	0.7
252.07849	0.7
253.08601	0.8
253.12387	0.6
255.06551	4.3
261.88290	0.5
268.07217	0.6
269.08087	6.0
270.08844	11.7
271.09653	4.6
281.11642	1.3
283.09726	2.6
293.11682	0.8
294.08832	1.0
297.11215	1.3
307.13165	0.6
308.13785	2.0
309.11148	1.7
311.16403	9.7
324.13351	3.8
338.14667	2.2
339.15857	87.4
340.16092	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.159
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
50.75565	1.5
55.01869	3.0
56.96544	3.5
61.04797	1.5
62.05259	1.5
65.03916	2.7
67.05485	5.6
69.03426	1.8
69.07077	9.8
71.59880	3.7
74.45559	1.6
79.05469	2.9
79.13436	1.5
79.54704	1.7
81.03401	2.3
81.07049	5.0
83.08606	2.9
91.05476	14.6
91.05971	2.6
93.07030	6.4
93.16256	1.7
95.04947	2.1
95.08580	6.6
98.97598	3.6
101.62457	2.2
103.05470	2.6
105.06998	6.8
107.04937	15.0
107.08594	3.0
107.54842	1.6
109.06465	1.9
109.10155	2.9
116.98624	5.8
119.04929	22.0
119.08578	3.1
121.06518	20.3
121.10135	3.8
123.04414	6.1
124.76116	1.7
131.04950	1.9
131.08569	2.4
133.06458	1.7
134.99652	5.1
135.04404	10.8
135.08035	2.3
137.05934	8.9
140.94348	1.8
143.04842	1.7
145.06487	4.6
147.04398	50.7
147.11684	3.1
148.04778	2.7
149.02281	1.7
149.05965	39.7
153.07109	1.8
155.08534	2.7
157.10083	3.6
158.49876	2.0
159.04399	2.1
159.11699	2.3
160.05167	5.1
161.05984	15.5
163.07538	4.7
167.08522	1.8
171.90744	2.1
173.05954	3.2
174.06689	4.1
175.11191	2.9
178.07809	2.4
181.06447	3.4
182.07216	1.8
193.12244	2.2
195.08081	4.8
197.05965	3.9
199.07498	3.3
205.12225	51.1
211.07553	3.9
212.08168	4.3
213.05455	2.1
213.09163	2.7
223.07471	2.8
225.08986	1.9
227.06862	2.7
227.10637	4.0
237.09103	5.7
239.06947	3.2
240.07861	10.0
250.06198	2.2
251.07001	4.6
253.08546	5.3
255.06578	4.3
255.10150	17.3
265.08621	2.7
267.06516	7.6
268.07239	11.8
270.08710	2.8
271.05920	2.2
274.97397	6.7
282.08502	8.6
283.06137	6.7
283.09576	98.8
283.16562	3.0
292.98557	7.4
311.16348	6.1
321.24271	5.7
324.12747	2.5
325.16333	2.2
338.14346	2.7
339.08624	5.3
339.12344	6.8
339.15817	100.0
339.27283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05492	0.9
67.05495	2.3
69.03402	1.1
70.73418	1.3
70.73774	1.5
71.04952	0.8
75.40051	0.7
79.05485	4.3
80.15971	0.7
80.75586	1.1
81.03395	0.8
81.07050	6.0
85.02898	1.6
91.05471	3.1
93.05757	0.7
93.07046	1.7
94.06568	4.5
95.04945	1.3
95.08632	0.8
96.08128	3.3
102.39583	0.7
106.06546	1.5
107.04928	1.2
108.08134	2.0
109.05245	0.8
109.06532	1.7
110.06038	12.9
111.67826	0.7
112.07607	1.4
116.98595	0.9
119.04910	0.7
122.06026	23.2
123.06805	2.7
124.07591	14.4
126.05444	0.8
134.06010	16.9
136.07574	78.1
137.07932	1.0
138.05492	1.6
138.09132	1.5
140.07077	9.1
147.04405	1.4
148.07629	1.1
150.05496	8.3
152.07062	92.0
154.08580	1.8
155.06949	0.8
158.08156	2.5
158.09673	0.7
164.07063	100.0
165.07443	1.4
166.08649	1.6
168.06602	3.5
168.07860	0.8
170.08144	13.3
172.11227	1.0
177.05450	2.2
182.08127	31.9
183.08493	0.8
184.09784	0.8
192.06639	0.8
200.10698	1.4
214.12306	1.6
232.13379	1.1
242.11885	1.8
244.09557	1.0
258.11212	0.9
260.12827	4.4
285.12320	3.2
302.64291	0.7
303.13379	53.7
304.14297	1.0
321.14432	20.2
339.09518	0.9
339.15628	4.9
359.38544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05496	1.2
57.03410	0.6
59.33377	0.5
61.02941	0.7
61.52934	0.4
65.03921	0.6
65.04870	0.5
67.04247	0.6
67.05516	1.7
69.03419	1.4
69.07066	0.6
71.05006	0.9
71.61916	1.0
77.03923	0.5
79.05476	0.9
81.07030	0.8
82.06579	2.1
83.04963	0.6
85.02908	1.6
86.14880	0.4
91.05469	1.4
92.65956	0.5
93.07019	1.0
94.06571	0.8
95.04948	1.1
95.08584	0.5
96.19156	0.5
97.02867	0.6
102.97532	0.4
103.05489	0.5
105.07038	0.7
107.04967	1.5
109.02885	0.6
110.06033	63.3
111.06387	0.6
119.04953	0.5
122.06016	4.9
123.04437	0.6
123.08075	0.5
124.07541	0.8
135.04408	0.8
136.07567	53.5
137.05980	0.6
137.07922	0.8
138.05508	0.7
140.07053	13.0
145.02859	0.7
145.06447	0.9
147.04416	1.3
150.05470	2.1
150.28143	0.5
152.07074	1.2
154.08632	6.0
156.06522	0.7
161.05946	0.9
163.03908	3.9
164.07053	96.8
165.07416	1.3
167.07071	0.6
168.06540	1.1
172.09676	0.8
177.05428	2.0
182.08112	100.0
183.08461	1.1
183.25832	0.6
191.07011	0.7
203.03424	0.7
207.06384	2.3
219.06372	0.5
221.08011	0.5
243.11275	1.0
249.07613	0.7
250.14522	0.5
257.05972	0.5
258.11288	0.6
261.03745	0.6
261.12317	1.0
273.66025	0.5
275.09149	1.3
303.13489	1.2
304.11673	1.5
321.14392	2.8
322.12860	2.5
339.06845	0.7
339.10953	3.1
339.15442	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	339.1225
Annotation	Crotalarin
Peak:m/z	Relative Intensity
53.98671	0.1
55.01873	0.3
59.37772	0.1
68.99799	0.2
69.03432	0.1
70.74199	0.2
70.74533	0.2
72.05116	0.1
74.33096	0.1
79.01848	0.1
81.07022	0.1
91.05452	0.4
95.08638	0.1
97.02892	0.1
98.97532	0.1
105.07022	0.1
107.04929	0.2
117.02137	0.1
119.04940	0.9
121.02856	2.8
123.00772	0.2
133.02867	0.1
137.02324	0.8
141.01813	1.9
145.06445	0.1
153.06949	0.2
155.03369	0.2
163.03995	0.1
165.01822	4.0
166.02159	0.1
171.08028	0.2
173.05972	0.2
181.06389	0.4
183.02872	3.1
199.07465	0.3
213.05376	0.1
227.06950	0.4
229.04962	0.5
237.05464	0.2
246.52592	0.1
255.06473	1.5
265.04926	0.3
283.05981	100.0
284.06308	3.6
339.12231	8.6
340.12473	0.3
357.51083	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	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.96575	0.9
58.42830	0.7
65.03927	1.0
67.05500	9.9
69.03432	2.0
69.07064	1.0
69.69321	6.5
71.04990	10.3
73.02907	2.1
79.05452	2.0
80.05011	0.9
81.03414	1.5
81.06649	0.9
81.07047	6.2
82.06586	4.4
84.96008	0.9
85.02890	4.4
85.06532	1.3
85.59875	0.9
91.05453	2.1
93.07043	2.8
94.06565	5.4
95.04980	4.7
95.08580	1.1
96.04486	9.2
97.02900	2.0
97.06504	0.9
98.20758	2.0
98.97581	1.2
106.06523	1.6
109.06490	1.0
110.06036	76.0
112.07621	1.7
119.04973	1.0
121.02877	1.2
122.06023	28.5
123.04430	3.8
123.06821	1.6
123.11703	1.6
124.07626	1.2
127.03880	1.5
136.07568	61.5
137.05991	1.6
138.05505	15.2
138.09132	55.6
140.07054	31.8
141.12743	6.6
145.02812	1.7
147.04410	2.5
150.05496	9.6
152.07085	2.5
154.08643	5.0
159.13832	3.5
163.03918	2.0
164.07059	98.9
165.07393	1.6
166.04988	26.7
168.06583	2.5
172.09732	4.4
177.05452	3.6
177.14874	3.6
181.04971	1.0
182.08119	100.0
183.06729	1.1
183.08409	1.4
184.06055	19.9
192.06599	2.2
198.09097	1.1
207.06592	2.5
226.72176	0.8
232.09932	1.0
243.11337	2.1
258.11343	1.6
285.12213	2.3
286.10770	1.5
303.08844	0.9
303.13370	5.0
304.11642	4.7
321.14316	10.9
322.12918	2.7
339.11789	2.3
339.15543	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	339.1226
Annotation	Neoraufurane
Peak:m/z	Relative Intensity
55.01865	2.8
55.05508	2.7
56.96553	3.8
65.03930	1.8
67.05493	5.0
68.99777	4.5
69.07069	85.5
69.20611	1.6
76.99548	1.9
81.03418	2.5
81.07046	4.1
87.04446	1.8
91.05478	2.6
95.08594	3.0
95.82111	1.8
97.02888	2.7
98.20849	7.3
98.21524	2.7
98.97570	5.0
107.04955	4.2
107.08534	2.1
109.02840	1.8
109.10177	4.1
116.98614	6.0
119.08563	2.3
120.97785	1.5
121.02859	4.3
121.10157	3.1
128.06207	3.9
129.06955	2.8
131.01601	1.8
131.08595	2.3
133.10147	2.3
134.03622	2.5
134.99623	4.7
137.02319	4.7
141.06956	2.4
142.43390	1.9
143.08630	1.9
145.06384	1.7
147.04395	3.8
149.02333	7.2
153.06981	6.8
157.06458	4.6
159.08003	2.4
165.07007	2.1
171.08044	5.7
173.06020	2.8
177.05444	3.7
181.06480	8.4
183.07964	3.0
184.05219	1.6
185.05995	6.3
187.07489	5.0
197.05968	5.9
199.07516	12.4
209.06026	3.2
213.05420	7.0
215.07028	38.8
227.07013	41.6
228.07370	2.2
242.05733	10.3
243.06479	15.0
254.05783	7.9
255.06520	100.0
256.06946	3.4
271.06039	38.9
273.07532	1.9
274.97565	5.9
283.06030	30.9
283.13245	15.1
292.98550	3.7
301.07159	2.0
310.12057	6.0
311.12802	9.7
320.56564	2.7
328.07800	2.9
339.12222	81.9
339.23267	2.4
339.27039	2.1
339.58701	1.8
340.12360	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	339.1225
Annotation	Crotalarin
Peak:m/z	Relative Intensity
55.01870	0.7
56.96557	1.3
57.03423	0.7
59.42598	0.4
63.18258	0.3
66.23890	0.4
67.05491	0.7
69.07054	0.9
71.04972	0.4
71.60641	0.8
73.02907	0.9
79.05492	0.6
79.17850	0.3
81.07042	0.9
83.08613	0.4
91.05478	0.5
93.07030	0.9
95.04953	0.4
95.08604	1.1
98.97585	1.0
105.03372	0.5
105.08180	0.3
107.04950	0.6
107.08554	0.6
109.10151	0.7
116.98592	1.4
119.08575	0.5
121.10162	0.5
128.06206	0.4
129.06976	0.7
134.99654	1.3
141.06952	0.5
141.99760	0.4
143.08516	0.8
147.04379	1.3
147.11749	0.5
149.02342	0.6
153.00699	0.5
153.07051	1.8
157.06502	1.1
159.08110	0.4
162.03047	0.5
165.07005	1.4
168.05623	0.5
171.08011	2.5
173.05989	1.1
175.03900	12.6
181.06511	2.0
183.08081	0.4
185.05968	0.9
192.22826	0.4
197.06032	0.4
199.07533	6.3
201.05464	6.7
205.12019	0.4
207.02965	0.4
211.07538	1.2
213.05440	1.1
227.07025	14.8
228.07394	0.6
229.04964	1.5
237.05479	0.7
239.06834	0.5
241.11047	0.5
251.95123	0.4
255.06517	9.4
274.97482	1.9
283.06000	100.0
284.06323	4.2
292.98474	1.9
297.99203	0.6
306.57288	0.5
339.11984	7.6
339.27042	0.5
340.08167	0.5
340.12708	0.5
362.37479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Glyinflanin B
Peak:m/z	Relative Intensity
55.05493	4.3
56.96550	7.6
67.05489	7.5
69.07072	19.1
71.61057	3.8
74.73234	2.7
79.05488	5.5
81.07056	7.9
91.05463	9.3
93.07034	4.7
95.04962	5.6
95.08604	4.7
95.56039	2.5
98.97574	5.9
105.07018	6.6
107.04953	100.0
107.08609	5.3
109.10165	4.2
116.98585	8.6
119.04920	3.8
119.08590	5.5
121.02856	9.0
123.04407	11.5
123.11639	3.9
129.06891	3.5
131.00031	4.2
133.10120	3.4
134.99663	6.7
135.04472	3.7
137.05965	11.8
145.10112	3.3
146.25595	2.6
147.04399	8.1
147.08025	6.2
151.07556	3.3
159.11621	3.6
161.02318	5.0
161.05977	3.6
163.03894	4.5
163.07504	4.4
163.11266	4.0
171.08035	6.5
173.06003	3.1
181.06520	6.8
182.98906	2.6
185.05992	3.3
189.09232	2.8
201.05382	4.7
203.02246	2.8
203.07021	81.8
205.12183	6.8
215.07022	6.5
223.07562	6.5
227.06929	3.7
229.12222	3.6
232.08771	5.8
245.08058	10.1
247.11029	5.4
250.09813	3.2
255.06526	6.4
265.12250	45.0
269.08142	7.2
270.08716	5.2
271.06140	4.9
274.97543	12.0
277.08517	6.2
283.05969	18.1
283.08884	5.4
292.98523	10.7
293.11703	55.9
294.11975	4.4
315.08716	2.8
316.09161	4.5
321.11197	20.6
323.12167	4.0
339.08633	5.5
339.12192	74.4
339.15695	22.9
339.27277	7.4
340.12552	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	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05497	1.5
56.96557	1.1
57.03436	0.9
60.04523	1.0
69.03407	3.1
69.07052	1.3
71.60275	1.6
72.07868	0.7
72.08160	8.2
73.02899	1.1
81.03410	1.5
81.07064	1.3
85.02898	7.2
87.04459	1.0
87.20399	0.8
91.05499	0.9
92.27847	0.8
95.08549	1.2
96.08131	1.0
97.02896	2.6
98.97572	1.3
103.03979	0.8
105.01830	1.3
107.04953	1.5
109.02874	1.6
110.06049	3.1
114.09171	6.1
116.98601	1.6
118.08678	4.5
119.04961	1.2
122.05981	2.6
124.07558	1.6
127.03912	2.1
134.06111	1.0
134.99603	1.2
136.07535	6.2
137.05937	2.0
138.05522	1.6
140.07043	1.3
142.08603	1.7
147.04437	5.6
150.05510	1.5
152.07063	4.9
156.06557	0.9
160.09673	8.4
164.07062	7.6
166.05110	0.8
173.05901	1.0
175.03806	0.9
177.05423	1.9
182.08145	3.9
195.05093	1.1
207.06638	1.4
219.06593	1.6
237.02843	1.5
239.28186	1.0
258.06427	1.7
267.28278	0.9
285.12317	1.3
303.13477	3.4
321.14438	3.6
322.12805	1.0
339.10510	100.0
340.10880	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01863	2.2
55.05503	0.8
56.05026	2.6
56.96560	6.6
57.03432	6.2
58.06594	1.0
59.04987	0.9
60.04522	0.5
61.02928	6.3
67.05466	0.6
69.03072	0.8
69.03427	13.2
69.07069	0.9
69.08125	0.4
69.87693	3.1
70.02934	0.6
70.06591	2.8
71.01342	0.5
71.04984	2.9
72.04514	0.7
73.02910	9.6
74.06072	10.1
79.05505	0.4
81.03410	6.0
81.07059	0.9
81.07532	0.4
83.04973	1.4
84.04506	1.1
84.08127	1.2
84.96030	0.7
85.02899	34.5
85.06593	0.5
86.03233	1.0
86.06065	0.5
86.09688	0.9
87.04457	2.9
88.04005	0.5
88.07623	3.1
89.03950	0.5
91.03945	2.0
91.05452	0.8
92.02618	0.4
95.04971	0.6
97.02887	12.8
97.06526	0.5
98.06069	1.1
98.21362	0.7
98.97567	8.1
99.04441	3.2
101.02354	0.5
107.04922	0.6
109.02888	3.7
110.97587	1.2
111.04462	0.9
112.11250	2.5
115.03902	1.0
116.98598	6.4
117.03429	0.8
119.01889	1.3
119.04866	0.8
122.05979	0.7
127.03901	8.1
128.02267	0.8
128.98560	2.7
129.05510	0.7
130.12265	98.5
131.00162	1.7
131.12613	2.7
134.05898	0.6
134.99649	2.7
136.07568	1.0
137.05995	2.4
140.07057	1.6
141.05441	0.6
143.00151	0.7
144.98082	0.6
145.02858	1.7
145.04956	7.1
146.99599	3.2
147.04388	1.5
149.01221	1.2
152.07019	1.1
153.00639	0.7
154.03873	0.6
155.08122	0.8
158.08105	1.0
158.11765	1.8
158.99629	3.6
159.06554	1.4
161.01205	2.0
161.02866	0.7
162.99077	0.9
163.02757	0.9
164.06976	0.8
165.00758	1.0
168.05359	1.1
170.05154	1.7
170.99602	1.0
175.02742	2.5
176.03473	0.7
176.12808	100.0
177.00732	4.8
177.04236	1.0
177.05362	1.4
177.06580	3.0
177.13155	2.4
179.02219	0.6
181.58946	0.6
182.03384	0.9
182.08086	0.8
184.04938	1.0
189.00690	2.6
189.04227	0.8
190.04965	0.7
191.02231	1.2
191.03879	1.6
192.04730	0.7
193.00247	1.0
193.03870	1.7
195.05217	0.5
200.12759	0.9
201.00710	1.9
203.03964	1.3
207.01744	1.4
212.02368	0.6
217.00024	0.7
219.01698	4.3
231.01651	0.6
231.08221	1.4
237.02762	6.7
238.03194	0.9
241.08583	0.6
243.01660	0.7
247.05991	0.9
249.02861	0.8
255.03806	0.6
257.05914	2.0
258.08560	0.7
260.04437	0.6
261.02744	0.7
267.11807	1.3
269.09875	0.9
271.11298	0.8
273.09448	1.1
279.04025	0.9
291.04092	0.6
292.04324	0.6
292.17587	0.8
295.07111	0.7
295.11288	0.9
297.09375	0.7
302.15970	1.2
303.13483	0.9
313.12509	2.5
315.05624	0.7
315.09698	1.7
321.09833	0.6
333.09808	1.9
338.09271	1.2
338.13608	1.0
338.18021	12.9
339.11526	3.4
357.11395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03930	1.1
54.18483	0.4
55.01856	1.0
55.05507	26.0
57.03432	17.0
57.07075	4.8
65.03924	1.6
67.05499	52.4
68.05813	1.3
69.07063	31.0
70.07363	0.5
70.11183	0.5
71.04974	1.7
71.08618	1.9
73.06559	0.5
79.05486	14.3
80.71298	0.4
81.07050	56.3
82.07374	0.8
83.04981	1.3
83.08611	16.8
85.06525	1.6
85.10168	0.5
91.05471	8.3
93.07037	12.9
95.04961	1.3
95.08598	39.1
96.08909	1.2
97.06519	2.8
97.10162	7.8
98.20689	0.8
99.08094	0.8
105.06374	0.6
105.07023	6.8
107.08580	8.1
109.06508	0.7
109.10144	17.1
111.08063	1.8
111.11710	1.8
113.09640	0.7
114.12576	0.5
119.08566	5.4
121.10123	7.1
123.08038	0.9
123.11701	7.1
125.09578	1.2
131.08514	1.0
133.10110	5.3
135.11674	3.8
137.09621	0.6
137.13229	3.6
139.11163	0.9
147.11664	4.3
149.13249	3.0
151.11188	1.0
151.14809	0.6
153.12778	0.7
161.13229	2.7
163.14790	2.1
165.12663	0.7
167.14355	0.5
168.32892	0.5
175.14830	2.3
177.16397	1.0
179.17946	0.6
189.16409	0.8
193.15981	0.5
203.17941	0.5
229.65036	0.5
245.22624	2.4
263.23758	4.1
274.74631	0.5
319.26385	0.5
337.14236	1.8
337.27332	100.0
338.27658	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	337.2372
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	3.3
55.05511	18.3
57.03441	2.8
57.07073	7.7
58.55759	1.3
59.04993	3.4
63.51774	1.3
65.03929	1.3
67.05501	51.6
69.03066	2.0
69.03424	29.4
69.06720	2.2
69.07069	32.6
70.86081	2.5
70.86382	1.4
71.04995	9.0
71.24259	1.1
79.05493	20.6
81.07053	100.0
83.04982	6.6
83.08617	9.0
85.02892	1.7
85.06539	37.7
91.05475	17.7
93.07043	52.8
95.04967	26.1
95.08604	54.0
97.06505	8.2
97.10163	5.3
99.04454	2.0
99.08100	4.6
100.03974	2.0
101.06034	6.7
105.07029	24.7
107.04926	3.0
107.08588	58.6
108.08891	1.4
108.39523	1.3
109.06522	18.8
109.10151	96.4
110.10481	2.1
111.08111	7.7
113.06036	2.8
117.07014	4.3
119.08575	30.3
121.02834	2.3
121.06505	8.4
121.09304	3.1
121.10142	42.3
123.04419	1.5
123.08075	7.9
123.10819	1.7
123.11707	33.0
123.97336	1.4
125.05994	3.4
125.08746	2.8
125.09628	47.3
127.03831	1.6
127.07540	3.4
127.11195	3.3
129.06967	3.1
131.08536	12.0
133.06483	1.6
133.09196	2.7
133.10117	21.8
135.08064	15.1
135.11691	16.9
137.06001	7.6
137.09607	44.6
137.13225	8.1
139.07520	2.6
139.11195	9.1
143.07013	4.1
143.08549	3.6
145.10114	14.6
147.04410	1.7
147.08032	7.1
147.11676	14.7
149.06079	1.4
149.09604	13.0
149.13242	4.2
151.11177	18.1
151.66986	1.7
153.09052	6.5
153.12743	5.7
155.07016	3.7
155.10605	3.4
157.10126	6.5
159.08057	3.1
159.11703	11.4
161.05945	4.5
161.09619	8.9
161.13248	9.4
163.07521	9.6
163.11186	4.8
163.14783	2.2
164.07077	1.7
165.09106	45.9
165.12759	5.7
167.10631	9.3
169.12276	8.3
171.10246	2.0
171.11708	5.2
173.09628	2.4
173.13248	9.1
175.07521	5.4
175.11150	5.1
175.14796	5.9
177.05482	1.7
177.09097	6.4
177.12691	2.6
177.16339	2.2
179.10677	6.7
181.12259	2.7
183.10124	3.9
183.11708	2.0
185.13237	6.1
187.14812	5.0
189.09085	4.0
189.12785	2.7
189.16380	3.1
191.10657	4.5
191.14342	3.8
193.12231	4.4
193.15826	2.4
195.10181	3.2
197.13292	2.0
199.14793	5.7
201.12811	2.4
201.16312	3.8
203.10742	1.7
203.14346	3.7
209.13271	2.0
213.16362	3.3
217.15887	3.1
219.13736	2.8
221.15288	4.2
225.16252	1.6
227.14331	2.8
227.16309	1.8
231.17516	2.2
236.01660	1.7
241.19505	4.2
245.15283	5.2
255.21072	4.2
259.20560	3.8
261.18622	2.3
273.22073	4.4
277.21597	4.6
283.20554	7.8
291.06198	5.5
291.23123	1.9
301.21600	24.2
305.08176	2.3
309.07513	5.0
319.22675	46.1
337.06912	11.0
337.10883	7.5
337.14307	5.9
337.19696	2.5
337.23715	37.7
338.23843	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1432
Annotation	Maximaisoflavone J
Peak:m/z	Relative Intensity
53.39110	0.3
55.05492	0.6
56.96552	0.5
67.05466	0.9
68.99779	0.7
69.07043	0.8
71.03133	0.7
79.05467	0.9
81.07022	1.2
91.05441	0.7
93.07024	0.7
95.08572	1.3
105.07043	0.9
107.04943	7.2
107.08559	0.6
109.10125	0.7
109.73316	0.3
119.04903	0.4
119.08545	0.7
123.04393	1.1
131.04912	0.9
135.04416	3.6
140.04613	0.3
145.06387	0.3
145.10046	0.5
147.04396	13.1
155.08470	0.3
159.04388	0.5
160.05168	2.1
167.08475	0.3
171.08026	0.5
171.11690	0.3
173.13205	0.3
185.05981	0.6
195.07954	0.6
197.06009	0.9
199.07544	0.6
203.10628	0.3
205.06390	0.5
211.07536	0.6
213.09067	0.6
223.07541	1.4
225.05449	49.1
226.05885	2.0
237.05400	0.5
239.07016	0.8
240.07796	2.4
241.08501	0.4
251.06932	0.8
252.07771	0.5
253.04942	34.3
254.05672	9.8
263.06976	0.5
265.08527	0.4
266.05731	0.5
267.06366	1.7
268.07281	28.8
269.08063	70.4
270.08359	2.7
279.06445	1.1
279.09705	0.4
281.08041	1.7
282.08939	0.7
283.09631	1.0
292.07181	0.4
293.08182	0.4
294.08694	0.6
295.09628	0.4
307.09604	2.8
309.14560	0.5
321.11227	1.7
322.11813	0.8
337.14316	100.0
338.14764	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1431
Annotation	Licoagrochalcone B
Peak:m/z	Relative Intensity
67.05495	0.3
68.99811	0.3
69.07061	2.3
71.33577	0.5
72.62247	0.2
91.05471	1.1
103.05433	0.4
105.07108	0.3
107.04945	5.1
111.43416	0.3
113.79825	0.3
119.04925	1.1
122.23035	0.3
123.04417	0.9
129.06969	0.3
131.04887	0.4
134.03670	0.7
134.90977	0.3
135.04405	4.4
142.49567	0.3
145.06511	0.3
147.04401	15.5
148.04817	0.3
153.06927	0.3
157.06509	0.3
159.04405	6.1
160.05156	1.9
161.05952	1.5
165.07018	0.6
171.04417	0.7
171.08051	0.3
172.05119	0.3
173.05966	1.8
179.08586	0.4
182.07306	0.3
183.08055	0.5
185.05966	1.1
185.09593	0.3
191.10683	0.3
195.08051	0.6
196.05135	0.5
196.92949	0.3
197.05952	1.0
199.07539	1.0
203.10695	0.4
207.08092	0.5
210.06737	1.4
211.07478	0.7
213.05479	0.5
213.09126	0.3
215.10699	0.9
221.05930	0.3
223.07536	0.9
225.09100	0.5
227.07048	0.8
234.06844	0.5
235.07500	0.8
237.05463	0.4
237.09114	0.5
238.06200	2.6
239.06963	0.8
251.07005	1.0
253.04814	0.5
253.08591	1.2
261.08932	0.3
263.07025	1.0
265.05020	0.6
265.08713	0.8
266.05719	4.5
267.06519	13.0
268.07117	1.0
268.66272	0.3
269.08014	1.4
279.06503	30.9
280.06979	1.3
281.08069	9.5
282.08459	0.4
287.04285	0.3
289.08426	0.4
292.07230	0.3
293.08038	2.6
294.08807	0.5
305.11713	1.2
307.09622	14.4
308.09869	0.6
321.11102	2.5
322.11972	1.1
337.14322	100.0
338.14633	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1435
Annotation	Licoagrochalcone B
Peak:m/z	Relative Intensity
51.41204	0.2
53.03914	0.2
67.05479	0.3
68.99761	0.3
69.07027	0.9
71.22872	0.3
79.05447	0.4
81.07026	0.6
90.77157	0.2
91.05470	0.3
93.07014	0.5
94.04162	0.3
105.07015	0.4
107.04955	3.2
107.08544	0.4
116.52483	0.2
119.04953	0.3
119.08549	0.3
121.10097	0.3
122.03629	0.5
123.04323	0.3
133.02805	0.7
133.06442	0.5
133.10086	0.2
135.04407	2.0
135.11703	0.2
136.03941	0.4
137.05978	5.6
143.08476	0.3
147.04405	5.6
149.05934	0.3
154.04881	0.4
159.04303	0.4
160.05161	0.4
161.05913	0.4
165.06952	0.2
168.06540	0.6
168.56688	0.2
172.08788	0.3
173.05940	0.6
175.11105	0.3
181.03500	0.5
185.06013	0.4
191.10683	1.5
197.05998	0.5
200.08266	0.3
203.10454	0.3
211.07558	0.2
212.08350	0.2
213.09019	0.5
215.10661	2.5
216.00612	0.2
225.05353	0.5
237.09053	0.5
239.07111	0.5
250.06345	0.3
251.07010	0.4
251.10652	2.5
253.04971	0.7
262.09634	0.2
264.07642	0.5
265.08527	0.7
266.05560	0.2
267.06506	0.8
268.07230	0.3
269.07928	0.3
279.06729	0.4
279.10147	1.4
281.04404	1.3
281.08112	0.8
291.06802	1.0
291.09399	0.2
292.07315	1.5
293.08087	0.3
295.09644	0.4
305.11752	0.3
307.09641	28.7
308.10049	1.6
309.11621	0.2
313.15210	0.7
321.11188	7.8
321.14969	0.4
322.11945	3.5
323.12357	0.4
337.14331	100.0
338.14700	5.9
346.18591	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.143
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
52.39368	0.3
69.07055	1.1
70.88686	0.7
70.89071	0.6
76.72828	0.3
91.05474	0.4
94.37556	0.2
96.06274	0.3
101.90494	0.3
107.04948	3.9
123.04433	0.3
133.06474	0.5
135.04398	1.9
141.05328	0.3
145.06451	0.5
147.04396	6.5
149.05919	0.4
157.10158	0.3
159.04424	0.6
159.22435	0.3
160.05188	0.5
164.29356	0.3
173.05890	0.7
173.09651	0.3
182.92250	0.3
185.05930	0.5
187.03845	0.3
191.10672	1.3
215.10591	2.0
225.97809	0.3
235.07407	0.3
237.09087	0.9
239.06972	0.5
250.06229	0.4
251.06982	0.5
251.07899	0.4
251.10590	3.1
253.04852	0.5
263.07190	0.3
264.07822	0.9
265.08649	1.3
266.05713	0.5
267.06540	0.9
268.07278	1.0
279.06860	0.6
279.10144	2.1
281.08041	1.8
289.08777	0.5
291.06531	2.0
291.09750	0.6
292.07202	2.8
293.07895	0.7
295.09442	0.5
302.97357	0.4
305.08209	0.4
305.11710	0.9
307.09607	22.2
308.09940	1.0
321.11182	19.6
322.11948	6.6
323.12112	0.3
337.14310	100.0
338.14655	4.9
346.11911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0917
Annotation	Flagranone C
Peak:m/z	Relative Intensity
55.01857	5.5
57.03430	2.8
58.06592	2.8
61.02906	7.1
62.44317	1.5
67.05479	2.6
69.03421	3.5
69.07055	1.7
69.73907	4.4
69.74332	6.3
70.06573	1.5
71.01333	2.0
71.04982	2.2
73.02900	3.0
79.05496	3.3
81.03407	1.8
81.07038	2.1
84.37474	1.5
85.02914	7.9
91.05453	4.3
93.07040	2.4
94.06533	1.8
95.04949	3.5
95.08607	2.9
97.02899	1.8
98.20766	1.5
98.97571	1.8
101.02364	5.1
103.05467	15.3
105.07003	7.1
107.04939	3.8
107.08566	1.5
109.06485	1.7
111.04473	1.6
115.05432	11.1
116.98640	2.1
117.03355	2.6
117.07016	4.9
118.04156	5.8
118.06480	1.9
119.08564	2.0
122.05985	9.3
124.07596	1.7
128.04897	3.1
129.06964	5.1
130.04158	3.4
131.04924	49.2
131.08557	2.1
133.02826	2.4
133.06482	6.6
136.07558	2.3
137.05960	4.6
139.03886	3.1
139.05424	2.0
140.07016	2.3
141.06969	12.6
143.04897	6.0
144.05656	3.7
145.02876	3.2
145.06494	10.1
146.03622	7.3
146.05998	72.3
147.04436	7.8
148.05141	4.3
149.05954	8.7
150.05482	5.9
151.03914	8.2
152.07069	2.6
155.04886	6.3
157.02826	3.6
157.06502	8.7
158.03551	2.4
158.06003	3.3
159.04408	13.6
159.08015	2.9
160.05164	4.4
161.02313	2.0
161.05968	16.0
162.03041	2.1
163.03935	2.1
163.07516	6.6
165.05482	2.0
167.04922	2.3
167.06979	2.1
168.06625	3.5
169.06464	23.2
171.03098	2.2
171.04385	12.4
172.05205	4.4
173.05865	7.6
174.03082	2.3
174.06654	1.7
175.03946	7.8
175.07576	4.9
176.04662	12.6
177.05463	41.9
178.06018	1.9
179.07004	2.0
181.04814	2.3
183.04431	5.4
184.05196	4.6
185.05991	9.0
186.06723	6.8
187.03882	22.2
187.07437	9.5
188.04659	7.7
189.01833	6.8
189.05449	16.2
190.06235	4.6
191.07014	67.7
192.04187	3.7
193.08611	4.6
196.05151	2.3
197.05960	19.3
198.06595	2.3
199.03893	7.4
199.07489	2.1
200.04654	10.0
201.05428	6.4
201.08997	2.3
202.02672	2.1
202.06198	3.1
203.03366	6.4
203.07013	16.4
204.04193	22.7
204.07950	1.9
205.04892	6.1
205.08540	6.2
206.05647	3.8
206.35677	1.6
207.06494	12.3
211.07520	3.8
212.04633	3.5
213.05420	8.6
214.06224	13.4
214.08238	2.3
215.03441	1.8
215.07002	25.9
216.04196	7.0
217.04938	23.2
217.08539	5.7
218.05734	6.4
219.06505	74.5
220.03554	1.9
221.04498	6.0
221.08011	3.8
225.05609	3.0
227.07053	5.9
227.11800	2.2
228.04155	2.3
229.04868	4.7
229.08543	20.0
231.02884	4.5
231.06494	23.2
232.07181	3.2
233.08073	8.9
234.05235	2.4
235.06021	8.2
242.05753	7.3
243.06511	16.0
245.04408	13.0
245.08075	14.0
246.05167	2.1
247.06003	2.7
247.09567	7.4
249.07538	6.4
255.06487	1.9
255.11360	1.9
257.08090	19.9
259.05988	9.5
260.06763	18.1
261.07538	3.7
262.04712	7.7
263.05499	8.7
263.09058	1.8
273.07556	13.8
274.10626	1.7
275.05981	2.9
275.09109	54.9
277.07043	33.1
283.10757	2.7
287.05472	6.9
291.08484	10.7
295.07977	1.8
301.06818	7.5
301.11850	5.4
309.09558	4.5
319.08130	14.3
319.12823	11.2
337.09158	100.0
337.13687	10.1
338.09637	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0916
Annotation	globosuxanthone B
Peak:m/z	Relative Intensity
50.93087	0.9
51.41048	0.9
55.01857	2.5
56.96551	2.4
57.03430	4.6
59.06094	1.1
61.02914	3.7
67.05482	1.1
69.03403	4.1
69.07044	1.7
69.88321	3.4
69.88741	2.4
71.04981	1.0
73.02910	7.1
74.03242	1.1
74.80703	0.9
79.05485	1.9
81.03394	3.3
81.07059	5.3
82.37399	0.9
84.04494	2.2
84.08134	0.9
85.02907	12.5
89.03903	1.7
91.05467	2.6
95.04972	2.3
95.08592	1.1
97.02879	3.2
97.06559	1.3
98.97554	3.1
103.03916	1.7
103.05444	5.6
105.07084	1.2
109.02847	1.8
111.04380	1.2
115.05425	5.9
116.98588	3.3
117.03367	2.0
117.06996	4.1
119.04943	1.0
119.08568	1.2
121.02803	1.2
121.06480	1.9
122.03642	1.1
122.05971	1.9
127.03931	1.2
128.06192	1.5
128.98601	1.1
129.06990	2.2
131.00250	1.0
131.04926	14.3
131.69971	0.9
133.02823	1.6
133.06480	1.0
134.99663	1.4
135.04408	1.4
136.07555	1.5
137.05972	6.2
139.05408	1.0
141.06982	4.6
143.04950	4.4
143.08527	1.2
144.05617	1.5
145.02847	2.7
145.06477	5.8
146.03601	1.8
146.05983	4.9
147.04413	4.3
149.05965	9.1
150.03102	1.2
151.03879	5.5
155.04918	2.9
157.06467	5.0
158.08116	1.8
159.04384	5.3
159.06523	1.1
160.05156	4.1
161.02336	1.7
161.05980	8.9
163.03900	1.5
163.07529	4.2
164.07069	2.1
165.05429	2.3
167.04941	1.9
168.05598	2.0
169.06490	11.3
171.04422	10.6
172.05170	1.6
173.06009	3.2
174.06712	1.1
174.11246	2.7
175.03879	4.8
175.07523	4.8
175.11597	4.9
176.04681	8.3
177.00661	2.0
177.05460	34.1
177.08977	1.1
179.03299	1.2
179.06929	1.5
183.04433	3.9
184.05168	1.5
185.05940	7.0
186.06683	2.6
187.03899	3.2
187.07564	5.9
187.54123	1.2
188.04617	4.0
189.05461	9.5
189.08987	1.4
190.06236	2.7
191.07014	38.4
192.04227	1.6
195.02840	2.0
195.04413	2.2
196.05186	2.6
197.05963	12.0
198.06728	1.7
199.03816	4.7
199.07469	1.6
200.04700	5.5
201.05392	4.3
201.09035	2.4
202.02515	1.2
202.06229	1.5
203.03529	1.0
203.07007	14.0
204.04114	2.5
205.04939	3.3
207.06508	11.2
211.07529	3.1
212.04578	2.0
213.05499	6.5
214.06229	8.0
215.07007	16.0
216.04170	3.7
217.04947	13.2
217.08537	3.3
219.06511	46.8
220.06734	1.3
221.04433	5.6
225.05475	1.5
227.07039	6.0
228.04120	1.3
229.04947	4.2
229.08560	15.2
230.05669	1.9
231.06487	22.1
233.08067	2.8
235.06012	1.9
237.02824	2.5
241.05020	1.2
242.05707	5.3
243.06461	10.5
245.04398	1.6
245.08127	6.5
246.05362	1.1
247.06108	2.5
249.07549	1.5
255.04019	0.9
255.06564	3.9
257.08029	7.5
259.05951	8.0
260.06741	1.2
261.07507	2.3
273.07486	8.8
275.09113	3.7
277.07034	3.0
278.58398	0.9
279.07468	1.1
291.08563	10.7
295.08246	1.1
301.07037	3.6
301.11694	1.1
309.09598	4.0
317.09073	2.0
319.08170	4.5
319.12811	4.4
337.09119	100.0
337.13412	4.0
338.09344	4.2
354.97885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05496	1.4
56.96552	1.2
57.03429	0.8
58.76644	0.8
61.02907	2.4
67.05483	1.7
69.03427	1.6
69.07048	1.2
70.88829	1.8
71.04984	1.5
73.02902	1.3
79.05463	1.1
81.03393	1.5
81.07052	1.8
85.02890	3.2
85.23200	0.8
90.57569	0.8
91.05464	2.2
92.36266	0.7
93.07040	1.0
94.06527	0.8
95.04932	1.3
95.08602	1.5
97.02918	1.6
97.06494	0.9
97.29152	0.7
98.06025	0.7
101.02339	1.0
102.04700	0.9
102.05524	1.4
103.05473	6.1
105.07018	2.8
107.04903	1.0
107.08566	0.8
109.10207	0.8
110.06029	1.4
113.05981	0.8
115.05434	2.8
116.98634	0.9
117.06980	1.4
118.04131	2.2
118.06529	2.1
122.06013	4.5
123.04395	0.8
127.03951	0.8
128.04948	4.9
128.06001	1.0
129.03342	0.9
129.06995	1.8
130.04121	1.1
131.04918	16.7
131.05826	1.5
131.08522	1.5
133.06494	2.4
136.07567	1.5
137.05963	2.4
140.07059	0.9
141.07001	3.6
143.04880	2.1
144.05724	1.3
145.02777	1.5
145.06476	3.4
146.03595	2.8
146.05998	100.0
147.04401	3.3
147.06335	1.3
148.03952	1.6
148.05077	1.4
149.05945	2.9
150.05498	2.0
151.03880	2.1
152.07066	1.5
155.03458	1.0
155.04831	1.8
156.05615	0.8
157.02872	1.1
157.05341	0.9
157.06474	4.5
158.07312	1.3
159.04391	4.2
159.08072	1.4
160.05212	2.7
161.05981	6.0
163.07532	1.5
164.07079	1.4
167.07042	1.5
168.05681	1.2
169.06502	7.7
171.04413	3.8
172.03885	2.0
172.05202	1.8
173.05939	3.6
174.09229	1.1
175.03966	2.6
175.07521	1.9
175.08833	0.8
176.04700	4.3
177.05453	9.3
178.06259	1.5
179.07002	0.8
181.04987	1.2
183.04465	1.8
183.08005	1.1
185.05911	4.8
186.06723	1.9
187.03880	8.3
187.07500	3.1
188.04648	2.4
189.01833	2.9
189.05409	6.4
190.06195	1.5
191.07014	23.3
191.08762	1.1
192.04153	0.8
196.05299	1.3
197.05981	5.0
199.03909	2.9
200.04662	2.8
201.05466	1.8
201.09077	1.1
202.06299	1.3
203.03380	1.4
203.06992	4.7
204.04158	7.2
205.04921	2.2
205.08577	1.4
206.05840	0.8
207.06500	4.0
211.07507	2.1
213.05544	3.2
214.06230	3.8
215.07028	8.7
216.04205	1.4
217.04955	7.7
217.08533	2.1
218.05717	2.7
219.06519	23.7
221.04427	1.4
221.08153	2.4
225.05408	1.1
227.06870	1.0
229.04997	1.0
229.08521	6.8
230.05634	1.3
231.02980	1.2
231.06535	7.4
233.08066	2.4
235.06073	2.5
241.05017	1.0
242.05724	1.9
243.06482	5.5
245.04395	4.9
245.08018	5.1
247.09540	4.1
249.07611	3.1
255.06557	1.0
257.08026	7.2
259.06015	2.6
259.10760	0.9
260.06870	8.7
261.07556	1.5
262.04724	3.0
263.05444	4.0
273.07483	4.5
275.09106	20.3
275.11890	1.5
277.07043	14.0
283.10834	0.9
287.05408	3.6
291.08441	5.3
301.07126	3.2
301.11713	2.2
309.09808	1.8
319.08289	5.0
319.12692	4.2
337.09219	27.7
337.13757	4.9
337.17676	1.4
338.09265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78825	0.7
55.01857	2.4
55.05516	0.7
57.03431	2.1
58.06597	6.0
60.79188	0.6
61.02914	1.9
62.98118	0.7
67.05482	1.3
69.03422	2.5
69.07076	1.4
71.01366	0.8
71.58522	0.9
73.02907	1.0
79.05486	1.5
81.03413	2.1
81.07068	1.2
83.05003	1.0
85.02901	5.5
85.06533	0.9
89.03904	1.0
91.05472	2.7
93.07035	1.7
94.06583	0.9
95.04961	1.7
95.08562	0.8
97.02866	1.4
97.06494	0.8
103.05440	4.5
105.07014	1.8
107.04934	0.9
109.06493	0.7
111.04444	1.6
115.05424	4.7
117.03383	2.4
117.07000	2.8
119.04917	1.2
119.08600	1.0
121.06428	0.9
122.06026	2.7
123.04356	1.0
127.03919	1.0
129.07025	1.9
131.04916	12.8
133.02924	1.0
133.06458	1.1
136.07584	2.9
137.05974	7.5
138.05508	1.2
140.07033	2.1
141.07007	4.8
141.09180	0.8
142.06479	0.9
143.04895	3.3
144.05698	0.8
145.02853	2.1
145.06477	4.8
146.03635	1.6
147.04362	4.5
148.05150	1.0
149.05986	10.4
150.05502	1.7
151.03897	8.3
152.07132	1.4
154.04982	1.0
155.04921	2.5
157.06506	3.5
159.04405	4.6
160.05243	4.1
161.02330	1.0
161.05940	5.3
162.03177	1.3
162.05486	0.9
163.03894	3.1
163.07550	4.5
164.04655	0.8
164.07056	2.7
165.05457	2.3
167.04906	1.5
167.07181	0.8
168.05746	2.4
169.06485	11.4
170.05951	1.3
171.04395	10.6
172.05133	1.3
172.07637	1.0
173.06001	2.5
175.03827	7.0
175.07497	3.9
176.04659	7.1
177.05458	38.2
179.03416	1.9
179.07063	1.9
181.06425	0.9
183.04398	2.3
184.05217	1.2
185.05931	6.2
186.06833	2.2
187.03908	1.2
187.07538	5.1
188.04645	3.3
188.07039	12.4
189.05453	7.0
189.08989	0.9
190.06262	2.8
191.03365	1.1
191.07011	30.4
192.04185	2.0
193.04892	1.0
195.02882	1.9
195.04437	0.8
196.05232	1.3
197.05972	11.9
199.03828	4.9
199.07655	1.5
200.04674	5.9
201.05447	3.7
201.09041	1.4
202.02669	2.3
202.06285	1.5
203.07030	14.0
204.04164	1.9
204.07481	0.9
205.04996	3.2
205.08699	2.3
207.06531	11.2
211.07526	2.4
212.04698	2.7
213.05450	5.8
213.10252	1.7
214.06250	8.4
214.08617	3.9
215.06969	13.6
216.04218	3.1
217.04965	11.5
217.08644	2.5
218.05771	1.3
219.06506	43.6
220.06909	1.5
221.04436	6.6
225.05450	1.2
227.07150	3.3
228.04073	0.8
228.10194	1.2
229.04996	2.8
229.08505	12.5
230.05659	1.3
231.06483	21.4
231.11263	2.3
233.04506	1.2
233.08101	3.1
233.12779	1.2
235.06009	1.2
241.09665	1.2
242.05739	3.0
242.10455	2.6
243.06522	9.2
244.07115	0.8
245.04427	2.0
245.08054	5.9
246.11337	1.0
247.06024	1.4
249.07649	1.2
255.06555	2.2
255.11360	0.8
256.09671	1.1
257.08051	8.5
259.05988	7.2
259.10715	7.1
261.07544	2.7
270.10062	1.2
273.07581	8.5
273.12238	1.8
274.10779	1.6
275.09134	1.0
283.10779	0.9
291.08701	9.4
291.13452	1.0
295.08170	2.2
301.07086	2.6
301.11789	9.9
302.10062	0.8
309.09744	6.2
319.08218	3.7
319.12756	8.5
320.11197	1.4
337.09192	100.0
337.13644	7.7
337.17041	7.7
338.09534	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	337.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67228	0.7
56.96564	34.0
59.31240	0.6
59.86399	0.6
60.04517	1.0
61.02920	0.9
66.01513	0.6
69.03416	2.0
70.06594	1.6
71.59047	1.1
71.95242	0.7
72.96016	0.7
74.97617	2.7
77.00901	1.5
81.03416	1.1
84.08130	0.9
84.96030	5.6
85.02898	2.3
95.01939	1.4
96.04493	0.6
97.02881	2.6
98.97583	100.0
101.00892	1.5
102.96998	1.2
110.97578	4.0
111.51868	0.6
112.99165	1.4
116.07056	1.2
116.98621	86.1
119.01925	7.1
120.01978	0.7
126.97103	1.4
128.98601	6.5
131.00154	3.9
131.01904	2.9
133.03468	1.5
134.99658	54.4
137.02933	1.6
138.99016	0.8
139.02528	0.7
140.00197	3.2
140.98566	1.1
143.00179	4.5
143.01910	2.1
144.98079	4.7
145.03476	3.3
146.99640	6.4
149.01204	4.1
149.02919	1.1
150.99117	0.9
152.98662	0.9
153.00713	7.0
155.01935	1.1
156.98096	1.6
157.03485	4.0
158.01216	4.0
158.99658	9.8
161.01236	9.8
161.02928	4.2
162.99153	9.8
163.02774	0.9
165.00768	1.2
167.02148	0.8
168.98039	0.8
169.00197	0.9
170.99649	1.5
173.01268	0.9
173.02919	3.0
174.97691	3.1
174.99191	4.2
175.02811	0.9
175.04468	1.0
176.97484	1.1
177.00743	19.0
179.00882	1.1
179.02298	1.8
181.00192	5.4
185.02998	0.9
186.97763	0.8
186.99210	4.4
187.02785	0.8
187.04506	1.1
189.00826	4.2
189.02260	0.9
192.98703	4.5
193.00264	1.9
193.98997	1.0
195.01799	2.3
195.98604	0.8
197.02957	0.7
198.00774	0.8
198.99173	0.8
200.02364	1.5
200.99202	0.9
201.00821	2.0
203.02440	0.7
203.04016	3.1
204.08577	0.8
205.00208	52.2
207.01918	3.5
213.00763	0.9
214.96455	0.7
216.99002	1.2
217.00342	8.1
217.02161	1.4
217.04045	1.5
218.98552	1.2
219.01918	10.7
220.02184	1.6
221.01878	1.2
221.05061	6.8
222.99159	1.4
223.01254	20.3
223.04778	1.6
228.01720	4.1
228.48038	0.9
230.93697	1.3
231.01897	0.9
231.98518	0.7
233.03557	1.4
235.01405	26.3
237.00446	1.0
237.02858	16.9
239.06117	9.9
240.98477	1.0
241.98190	1.4
243.02106	0.8
244.98248	1.1
245.03592	1.4
246.91376	1.0
247.01260	6.9
247.04829	1.3
247.06934	1.0
249.02895	3.6
252.97644	0.7
253.02397	3.0
254.93843	0.8
255.03854	1.7
256.97372	3.2
258.02872	3.1
259.01227	1.0
260.99728	0.8
261.02985	2.0
262.47995	1.0
262.99216	1.6
265.07755	2.3
265.99710	0.8
267.04019	1.8
270.99063	2.3
271.96146	0.9
271.99271	9.0
272.94736	5.3
272.98923	2.6
274.97177	0.9
275.06128	7.2
277.02365	8.2
279.01270	0.8
279.03793	3.8
279.98633	0.9
284.97195	2.0
288.92160	1.6
290.92496	0.8
290.95551	2.3
290.98770	2.6
291.96640	0.8
294.93094	0.9
295.03384	27.4
300.95239	1.1
301.64386	0.9
303.99521	1.2
306.93262	0.8
313.00687	1.2
313.04376	9.1
313.97119	1.3
314.00278	6.8
314.95718	3.1
314.99997	2.1
315.47913	1.0
318.05069	2.4
319.05280	5.6
325.49863	0.8
332.96390	1.4
333.01572	1.9
336.05939	1.0
337.04233	7.1
337.17206	3.0
353.02463	0.9
355.05670	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01856	2.7
55.05508	19.4
57.03433	12.3
57.07049	2.6
58.06608	2.1
58.99575	5.6
60.04512	6.1
61.02911	3.8
65.03935	2.0
67.05494	29.2
68.04999	2.2
69.03426	13.0
69.07062	23.9
70.75233	5.4
71.04977	14.8
73.02918	13.9
75.46807	1.7
76.02221	6.0
79.05476	12.3
81.03387	5.5
81.07050	78.0
82.07384	2.5
83.00088	1.8
83.04961	8.3
83.08608	16.0
84.04500	21.9
85.02907	20.0
85.06532	20.5
86.99028	5.8
87.22659	2.2
89.80602	1.7
91.05478	24.5
93.07037	26.3
95.04952	6.9
95.08598	95.8
96.04476	6.4
96.08911	2.7
97.02870	16.5
97.06522	26.6
97.10164	8.6
99.04481	3.6
99.08080	12.9
105.00066	10.1
105.07018	29.2
107.04887	1.9
107.08574	11.9
109.02839	4.6
109.06525	5.0
109.10140	12.6
111.08078	6.6
111.08993	1.6
113.09667	5.2
114.05502	6.2
115.03922	6.7
115.07568	4.5
117.07015	1.8
119.04966	3.6
119.08563	37.2
121.02856	4.5
121.10157	12.8
122.02708	12.1
123.08070	4.4
123.11712	3.1
124.03874	2.9
125.09682	2.2
126.05522	11.7
127.03947	3.1
130.88408	2.0
133.10118	28.5
134.10490	1.8
135.04353	3.6
135.11682	19.2
136.22012	1.8
137.05962	7.3
137.09610	6.5
137.13245	20.7
138.06383	2.6
138.34171	2.0
141.09123	2.9
144.06561	5.1
144.60240	1.9
145.02870	4.7
145.05037	2.5
145.10172	1.9
156.06541	7.8
161.13242	100.0
162.13632	2.6
163.03888	13.2
167.14365	3.1
174.07588	20.9
179.14291	88.6
180.14693	2.0
181.04939	7.1
185.15326	4.1
186.07584	4.8
191.03368	8.6
197.15350	79.2
204.08658	28.6
215.16383	17.2
222.62268	2.1
229.12552	5.5
247.13364	2.2
271.05911	2.0
272.16705	1.9
273.15170	7.2
279.06613	4.4
279.11340	2.3
281.08054	29.6
295.10666	2.6
301.14731	2.7
309.07571	70.5
309.11789	3.5
318.17374	3.8
319.15744	40.2
319.91895	2.1
336.12833	17.8
336.18420	35.0
336.95068	1.9
337.07059	84.8
337.11041	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	336.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05497	1.3
56.05025	1.3
56.96555	1.0
57.03428	1.3
58.06589	0.5
58.93127	0.4
59.05008	0.7
61.02919	1.4
67.05495	1.1
68.05019	0.7
69.03419	3.4
69.07056	0.8
70.06575	0.4
70.78740	1.4
71.04981	0.9
73.02899	1.9
79.05472	1.3
81.03410	1.8
81.07042	1.2
81.66503	0.6
82.06561	1.0
83.08585	0.8
84.04499	55.0
85.02898	7.3
86.06050	1.5
87.04462	0.7
88.79149	0.5
89.08652	0.4
91.05445	0.9
93.07035	2.3
94.06537	0.6
95.08602	1.7
96.04475	1.1
96.08125	1.1
97.02891	2.9
97.06547	0.6
98.06065	6.9
98.97591	0.9
99.04445	0.7
100.03931	0.5
102.05530	3.1
109.02873	0.9
110.09687	3.3
111.08064	2.1
114.05527	3.6
115.05422	0.8
116.07077	1.2
116.98569	0.6
119.08511	0.5
119.98418	0.6
121.06477	0.8
126.05523	0.5
127.03918	1.0
128.98628	0.5
131.04916	1.3
134.99649	0.6
136.07588	0.6
137.05959	1.0
138.09142	11.2
139.07472	2.9
145.04915	0.8
146.06033	0.9
147.04440	0.6
149.05875	0.6
151.03905	0.6
156.10193	17.6
157.10411	0.6
161.05911	1.1
161.07100	2.3
164.07048	0.8
169.06433	1.1
171.04434	0.8
174.11247	100.0
175.11584	2.0
176.03297	0.5
177.05481	2.4
185.03833	0.5
189.05414	0.8
191.07010	3.0
197.05856	1.0
200.04549	0.5
203.06999	0.8
207.06557	0.7
214.06119	0.5
215.06946	1.3
217.04887	0.7
219.06526	2.3
230.08089	0.7
231.06511	1.3
232.09583	0.8
237.02731	0.5
243.06645	0.9
276.08737	0.6
291.08655	0.6
317.09180	0.8
336.10150	1.1
336.16562	0.8
337.09155	6.5
348.52225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
54.01142	0.3
55.01856	1.0
55.05495	0.5
56.05021	1.1
57.03426	0.8
58.50726	0.2
59.04987	1.2
61.02898	0.9
62.03950	0.3
66.54438	0.3
67.05489	0.3
69.03429	2.7
70.06569	0.8
70.52358	1.0
71.04971	0.3
72.08125	0.4
73.02904	0.5
81.03403	0.8
82.02909	0.3
83.08572	0.4
84.04500	35.3
85.02413	0.5
85.02902	6.2
85.04822	0.5
86.06037	0.9
87.04477	0.4
91.03944	0.3
93.07037	1.5
94.06570	0.3
95.08591	0.8
96.04462	0.6
96.08135	0.6
97.02869	1.8
98.06045	11.4
99.04440	0.5
102.05531	0.9
109.02866	0.8
110.06053	0.4
110.09670	2.3
111.08075	1.4
113.14906	0.2
114.05521	4.2
116.07100	1.0
121.06480	0.5
126.05504	0.9
127.03902	1.1
131.04857	0.3
138.09123	9.0
139.07544	1.0
145.04947	0.9
150.05466	0.3
156.10176	6.2
174.11243	100.0
175.11572	1.6
184.09644	0.5
216.12253	0.5
230.08060	0.3
258.07709	0.5
280.74286	0.3
290.23233	0.3
336.10446	0.3
336.16501	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	1.8
55.01865	1.3
55.05506	16.0
57.03433	20.5
57.07064	1.5
62.23840	0.6
62.52484	0.5
63.23158	0.5
65.03931	2.8
67.05499	65.7
67.74931	0.5
68.05816	0.7
69.07062	15.3
70.02840	3.2
70.44820	0.5
71.04989	1.6
71.08601	0.5
79.05487	33.6
81.07050	60.8
83.04959	1.5
83.08618	5.9
85.06519	1.5
91.05478	16.6
93.07037	37.5
95.04972	3.3
95.08599	46.6
96.08939	0.7
97.06516	2.5
97.10129	3.2
98.20683	0.6
105.07025	11.3
107.08588	20.4
109.06526	1.4
109.10146	18.4
111.08086	1.0
113.09663	0.6
114.79397	0.6
117.07024	3.2
119.08568	9.2
121.10130	14.7
123.08069	1.6
123.11694	7.5
129.05476	1.1
130.53529	0.7
131.08557	6.0
133.10121	6.4
135.11681	11.4
135.85229	0.6
137.09576	1.2
137.13275	2.4
138.53885	0.5
143.08548	0.8
145.10112	5.1
147.11673	5.2
149.13235	5.5
151.11189	0.8
159.11678	3.8
161.13182	3.0
163.14799	2.1
173.13286	3.7
175.14771	1.2
177.16402	1.1
187.14803	2.3
193.15918	0.7
200.40132	0.7
201.16417	1.4
207.49181	0.5
233.22897	0.7
243.21054	4.6
261.22198	6.9
279.23273	1.0
299.23849	0.9
317.21304	0.6
317.24481	3.0
335.25778	100.0
336.26099	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.90857	1.6
55.05510	21.7
55.79389	1.6
57.03440	15.7
57.07079	3.2
65.03923	4.1
67.05504	63.9
69.07069	13.1
69.95958	4.5
69.96353	4.0
70.41339	1.5
71.04975	2.6
76.60155	1.5
79.05495	33.4
81.07055	62.2
81.48469	1.7
82.25928	1.6
83.08630	4.6
91.05485	15.1
93.07041	33.7
95.04980	3.1
95.08604	52.6
98.21577	2.5
103.65952	1.5
105.07044	9.9
107.08591	17.2
109.10165	19.5
110.00757	1.6
117.06995	3.0
119.08603	9.3
121.10142	16.5
123.11713	4.9
131.08560	7.2
131.48444	1.9
133.10110	7.2
135.11708	11.0
145.10115	5.6
147.11687	5.1
149.13254	3.9
155.59088	1.7
159.11694	3.3
173.13220	2.0
261.22174	5.4
335.25803	100.0
336.26108	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01855	4.8
55.05502	3.2
56.05014	3.3
56.96553	6.0
57.03420	6.7
59.04997	2.1
61.02909	5.0
67.04229	2.1
67.05489	4.5
68.05037	7.8
69.03420	14.5
69.05816	9.0
70.06580	4.1
71.01333	2.4
71.04975	3.9
71.52853	3.0
73.02905	6.4
78.55188	1.7
79.05510	3.6
81.03402	5.0
81.07043	3.1
82.06561	2.9
83.04980	3.1
84.04498	28.2
84.08125	4.4
85.02416	3.0
85.02901	38.7
86.06059	4.9
86.09651	1.9
87.04434	2.3
91.03932	1.6
94.06553	4.1
95.04967	1.6
96.04465	4.9
96.08125	19.9
97.02892	15.8
98.06046	10.0
98.97570	5.9
99.04486	1.8
100.07619	1.9
109.02869	5.8
110.06009	2.5
110.09648	3.1
111.06799	6.4
111.08086	2.6
112.07603	16.7
113.05935	1.8
113.08385	3.7
114.05510	6.4
116.98622	6.5
119.01940	1.8
122.06053	9.1
123.06791	6.1
124.07586	49.7
125.02310	2.1
125.08353	1.8
126.05507	2.2
127.03883	8.0
128.07050	2.9
129.07828	3.7
131.04900	2.2
132.95853	2.7
134.99620	2.9
136.07527	1.7
137.05965	2.6
138.05537	2.4
138.09114	8.8
139.06319	3.8
139.07484	2.0
140.07054	20.4
142.08620	83.2
143.08978	2.8
145.04948	2.9
146.05997	1.5
156.01184	1.8
156.06558	7.7
156.10205	10.2
157.04916	2.2
158.08087	4.3
158.99620	2.7
161.01241	2.2
161.04630	2.7
170.08109	3.8
172.09679	2.6
173.01280	1.7
173.02969	1.8
174.02200	1.8
174.07616	100.0
174.11237	69.5
175.07823	2.3
177.00726	3.6
177.05486	4.3
191.06917	4.6
193.82574	1.7
196.04851	2.0
198.04652	3.3
201.00685	1.9
205.03764	2.2
215.07019	2.3
219.01689	3.6
219.06583	3.0
237.02831	6.3
245.04865	1.9
248.45247	1.7
255.07921	1.6
268.82700	1.7
276.99997	2.0
302.12335	4.5
308.22699	1.5
336.13409	11.5
336.16577	3.2
337.08975	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	2.7
54.92950	1.3
55.05505	16.5
55.75129	1.1
57.03435	15.7
57.07070	2.2
65.03925	2.7
67.05499	68.7
69.07065	17.2
69.96814	8.2
71.38313	1.2
79.05056	2.1
79.05482	26.3
81.07051	55.8
83.04961	1.4
83.08615	6.2
85.06525	2.6
91.05475	15.3
93.07036	35.8
95.04958	3.5
95.08598	40.0
97.06527	2.6
97.10166	2.3
98.20824	1.9
104.20580	1.4
105.07017	6.7
107.08591	16.0
109.06496	2.0
109.10155	17.3
110.71851	1.5
117.06991	2.7
119.08608	7.0
121.10128	16.1
123.11701	8.5
125.09650	1.6
131.08574	7.0
133.10100	5.9
135.11691	9.3
145.10123	5.5
147.11694	3.0
149.13231	4.7
152.07365	1.4
152.52519	1.3
159.11722	3.4
161.13245	4.7
163.14783	1.9
164.28758	1.3
169.01865	1.3
173.13287	3.7
202.88222	1.2
206.13522	1.2
261.22070	4.7
301.11157	1.4
320.07941	1.6
328.84390	1.4
335.25784	100.0
336.26135	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	1.9
55.01863	1.0
55.05260	0.8
55.05508	13.7
57.03432	18.2
57.07061	1.8
59.08525	0.6
65.03936	3.6
67.05499	61.2
69.06721	0.9
69.07062	13.1
70.65916	1.3
70.66304	1.4
71.04982	1.7
71.08626	0.9
73.24960	0.6
79.05486	30.6
81.07048	53.9
82.07382	0.8
83.04965	1.7
83.08600	6.6
85.06535	1.2
89.06010	0.7
91.05474	16.8
91.92648	0.6
93.07037	34.6
95.04951	3.4
95.08595	43.8
97.06512	2.3
97.10159	2.5
99.08064	1.1
105.06364	0.9
105.07023	8.4
106.93658	0.6
107.08583	19.8
109.06527	1.0
109.10146	18.0
111.08062	1.0
117.06993	2.4
119.08551	7.2
121.10128	14.2
123.08102	1.2
123.11689	6.9
131.08557	5.9
133.10106	5.7
135.11682	10.7
137.09575	0.8
137.13246	2.1
145.10086	3.8
147.11655	4.5
149.09613	0.9
149.13231	5.1
153.12743	0.7
159.11673	2.6
161.13260	3.4
163.14793	1.5
165.12737	1.1
173.13252	2.8
175.14839	0.9
177.12744	0.7
187.14812	1.9
201.16354	1.0
215.17879	0.6
243.21034	2.2
261.22116	5.2
305.18619	0.7
317.24808	1.5
335.25760	100.0
336.26172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	1.9
55.05507	15.7
56.36295	0.7
57.03434	19.4
57.07055	2.0
57.48465	0.8
65.03921	1.5
67.05499	66.9
69.07064	16.9
71.04967	1.5
71.34488	1.6
79.05487	32.4
81.07051	64.8
82.07372	1.0
83.04961	2.2
83.08623	6.1
85.06505	1.4
91.05481	14.0
93.07036	38.4
95.04958	3.5
95.08600	48.5
96.08936	1.2
97.06522	3.5
97.10141	1.9
105.07027	10.5
105.98672	0.8
107.08581	19.8
109.06510	2.0
109.10143	20.0
111.08086	1.5
117.06995	3.6
119.08578	7.9
121.10128	15.9
123.08035	1.2
123.11682	6.4
131.08565	6.8
133.10132	8.9
135.11687	11.0
137.13199	2.2
145.10129	6.0
147.11670	5.4
149.13271	8.2
156.87094	0.9
159.11673	5.6
161.13211	5.2
163.14842	3.1
173.13213	4.6
175.14801	1.7
187.14809	2.1
191.59750	1.0
201.16438	1.0
204.08763	1.1
205.15787	1.1
243.21121	4.1
261.22150	7.1
279.23074	1.3
335.09613	1.9
335.25778	100.0
336.26019	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93333	0.4
55.01857	0.6
55.05495	0.8
56.05024	0.4
56.29952	0.3
56.96565	2.8
57.03425	0.9
61.02908	1.1
67.05497	0.9
69.03428	2.6
69.07049	0.5
70.03749	0.4
70.86497	0.8
71.04988	0.8
73.02904	1.4
75.49604	0.4
79.05484	0.4
81.03406	1.6
81.07032	0.4
83.04962	0.6
84.04480	2.0
84.08126	0.5
84.96033	0.7
85.02898	5.0
85.07657	0.8
86.06069	0.4
87.04473	0.9
89.06019	0.5
94.06593	0.4
96.08097	0.4
97.02906	2.9
98.03201	0.4
98.06017	0.7
98.97573	4.9
98.98243	0.5
98.98453	0.5
99.04450	0.6
109.02869	1.3
110.06059	0.6
112.07594	1.1
114.05502	0.5
115.02422	0.4
115.52676	0.3
116.98622	3.7
119.01909	2.2
122.06007	0.5
123.05593	0.7
124.07563	1.4
126.05440	0.4
127.03890	1.8
128.07092	0.7
128.98592	1.1
130.06551	0.9
130.08601	1.1
131.00194	0.6
131.01897	2.2
131.05560	0.5
133.03464	0.8
134.99666	2.2
136.07561	0.6
137.02919	0.5
137.05949	1.3
138.06387	0.6
138.09103	0.7
140.07037	1.0
142.08635	1.6
143.01889	2.1
143.03540	0.4
145.01730	0.4
145.03461	0.5
145.04933	1.4
146.99648	1.3
147.04341	0.4
148.03752	0.4
149.01215	0.8
149.03038	0.4
149.06613	0.7
154.08572	1.8
155.01854	1.1
155.03275	0.4
155.04599	0.5
155.09007	1.7
156.06551	0.5
156.10219	0.6
158.99663	1.1
161.01175	0.6
161.02959	3.5
163.02757	0.9
170.99689	0.5
172.09697	1.3
173.01540	0.4
173.03035	2.3
173.06548	2.3
173.07866	5.3
173.09163	0.4
173.10057	1.3
174.07661	1.2
174.11217	4.0
175.02850	0.5
177.00676	1.8
177.06065	0.6
185.06662	2.0
187.02718	0.5
187.08209	0.5
187.51573	0.4
189.00787	0.8
191.05916	1.0
191.07661	1.4
198.04674	1.0
202.59224	0.7
203.03934	0.6
203.05746	0.4
203.07573	2.3
215.02376	0.5
215.05788	0.5
215.07657	0.5
219.01749	2.6
221.05069	1.8
227.57008	0.9
231.01868	0.5
234.98964	1.1
237.02875	3.9
244.07700	0.5
244.58032	0.8
254.07309	0.7
275.04739	0.4
275.09781	4.1
289.05661	0.4
293.05548	0.8
293.10760	5.3
307.07034	0.8
309.08469	0.6
317.11481	0.6
325.60541	1.6
335.09555	10.4
335.13098	100.0
336.13464	2.1
353.07202	0.6
353.11188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1274
Annotation	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
52.61024	0.4
55.05500	1.0
56.96566	0.5
57.03414	0.6
57.07055	0.4
67.05494	2.8
68.99770	0.7
69.07052	1.3
71.32327	0.9
79.05487	1.0
81.07055	3.5
91.05446	1.4
93.07024	1.8
95.04935	0.6
95.08613	2.7
97.85631	0.5
105.07039	1.5
107.04937	1.8
107.08540	1.3
109.10108	1.0
116.97222	1.3
119.08548	0.9
121.10081	0.7
123.04412	1.7
123.11736	0.7
131.08540	0.9
133.10127	1.2
133.63219	0.5
134.33685	0.4
135.04422	1.1
139.98753	1.5
145.10127	0.9
147.04401	3.9
147.11676	0.7
149.13245	0.5
159.11679	0.6
161.13239	0.7
169.10008	0.5
171.08005	1.0
173.09587	0.5
198.06781	1.2
201.09091	1.4
207.78714	0.4
211.07573	1.0
213.09163	1.1
248.17610	0.7
249.09215	0.6
275.10779	0.5
276.00443	0.5
277.08612	1.7
301.08441	0.8
303.10071	1.7
305.08072	48.5
306.08444	1.0
319.09576	3.0
320.10370	2.7
335.12762	100.0
335.25400	3.7
336.13153	2.6
337.84833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.46543	0.5
55.05521	0.5
62.89952	0.7
64.89436	0.5
65.03926	2.9
67.05501	5.1
69.07062	100.0
69.24332	0.6
69.52800	5.9
69.72441	0.6
79.05491	1.6
80.05026	0.8
81.03423	0.9
81.05788	0.6
81.07054	6.8
82.06549	0.8
91.05482	1.0
92.04993	3.9
93.07068	1.7
94.06564	3.5
95.04964	2.1
95.08602	1.3
96.08142	0.8
97.05900	1.1
97.06525	18.8
97.07140	1.2
105.07014	1.4
106.06532	0.9
107.08585	0.6
108.04487	0.9
109.02886	1.1
109.05232	0.6
109.06528	1.4
109.10194	1.3
119.03672	0.9
119.08562	1.0
120.04482	1.2
121.05255	1.0
121.06507	1.3
121.10089	1.0
122.06018	7.3
124.07578	2.8
125.06025	1.9
130.06537	0.7
131.07251	0.7
132.08170	0.8
137.05959	3.8
138.05466	5.1
140.07045	9.2
141.07784	0.8
142.08652	0.6
143.08517	0.7
144.08080	2.6
145.08870	3.5
145.10017	1.3
146.09666	3.8
147.06836	1.1
147.08076	0.6
148.03970	1.7
150.05493	86.5
151.05847	1.4
152.03444	0.8
152.07111	1.2
157.08852	2.2
158.09645	0.7
159.10388	1.0
160.07555	1.5
160.11130	1.1
161.08371	3.2
162.09161	2.0
164.03365	0.7
165.04205	0.8
166.04984	31.0
168.06567	1.3
172.07576	1.9
172.11200	4.8
173.08371	2.6
174.09149	2.2
174.12775	7.7
175.09875	0.8
176.03406	7.9
178.04984	2.5
185.08344	1.6
186.05656	0.7
186.07608	2.8
186.09123	1.2
187.09946	1.2
188.10713	1.1
190.08609	1.2
190.12259	3.9
194.04492	3.9
198.07791	1.1
200.07034	1.5
200.10715	7.1
202.12274	7.3
215.11815	0.7
216.10162	4.2
217.13094	0.6
218.08336	1.4
218.11732	30.8
226.08595	1.2
227.11830	1.4
228.06815	0.7
228.10185	16.5
229.13390	1.5
234.11201	3.8
241.09616	0.9
243.11301	1.9
244.09599	1.8
245.12837	2.4
246.11253	29.9
247.11589	1.2
255.11226	1.0
256.09769	1.7
257.09290	1.7
261.08636	1.6
261.12515	0.9
269.09210	0.7
271.10745	4.5
272.09229	5.4
273.12332	4.3
274.10791	3.6
287.10248	8.4
289.11801	12.7
290.10092	1.7
291.13300	0.8
299.10223	6.3
317.11298	38.4
318.11844	0.9
335.09344	1.7
335.12335	40.9
335.22256	1.0
336.12720	1.3
337.15460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25334	0.8
55.05515	1.8
57.03424	1.4
65.03935	3.6
67.05504	6.2
69.03427	3.0
69.07063	100.0
69.31439	10.4
71.05000	1.6
79.05502	2.0
80.05042	1.3
81.03411	1.4
81.07056	5.5
83.04992	1.9
84.08138	1.4
85.06530	1.8
86.59267	0.8
91.05499	2.7
92.05005	3.0
93.03385	0.8
93.07043	3.5
94.06545	5.0
95.04966	3.4
95.08591	3.1
96.08105	1.1
97.02866	1.0
97.06528	16.6
98.20701	1.7
105.07011	2.4
107.04968	1.1
107.08589	3.2
108.04465	1.1
109.02875	3.9
109.06499	1.3
109.10161	2.4
109.41076	1.0
111.04435	1.8
119.08558	2.1
121.02876	1.9
121.05322	1.0
121.06510	1.6
121.10156	2.1
122.06048	9.0
123.11703	1.3
124.07571	3.4
125.05957	1.8
127.03916	3.5
131.08517	1.1
133.10139	1.6
134.06020	1.5
135.08009	1.9
135.11652	1.6
137.05971	4.3
137.09610	2.3
138.05507	4.0
139.03865	1.7
140.07065	7.1
141.05463	0.9
142.08627	1.7
143.08557	1.0
144.08083	2.1
145.08916	1.4
145.10107	2.3
146.09644	2.8
148.03922	1.1
149.02310	9.3
149.09634	1.3
150.05495	94.0
151.03853	1.0
151.05833	1.9
152.03354	1.3
153.01848	16.6
153.05470	8.0
157.08852	2.1
157.10091	1.3
161.06010	2.7
161.08348	2.2
161.09596	1.2
162.09174	2.8
163.11137	1.1
164.06981	1.0
166.04988	29.8
167.03407	2.2
167.07031	2.0
168.06615	1.1
172.07516	1.3
172.11183	2.1
173.05923	1.0
173.08363	1.6
174.09200	1.3
174.12775	3.8
176.03380	7.2
178.05019	1.9
181.05031	1.0
186.07693	2.1
186.09167	1.0
188.10690	1.5
190.12321	2.9
191.14363	1.1
193.12288	0.9
194.04486	4.2
195.02876	5.7
198.07832	1.9
200.04625	1.1
200.10727	3.9
202.12267	3.9
203.11850	1.5
206.11671	1.2
209.04366	2.1
213.10307	1.7
214.08656	1.0
215.11786	1.0
216.10220	2.5
218.08214	1.2
218.11768	12.5
227.11664	1.3
228.10248	9.0
229.04999	2.6
229.13393	1.2
233.04352	2.0
234.11308	3.4
241.09708	2.2
243.11394	2.2
244.09576	1.3
246.11220	14.7
247.11090	1.4
254.08267	1.3
256.09784	1.1
257.04370	1.3
257.09229	1.1
261.07648	3.7
261.12430	1.1
269.09213	1.1
271.10818	3.9
272.09329	1.9
273.12311	2.4
274.10785	2.4
287.10236	28.6
288.10873	1.1
289.07013	9.1
289.11826	7.4
299.10291	6.4
317.06671	3.2
317.11273	28.5
317.14865	1.5
317.17334	1.2
318.11725	1.1
335.08704	2.2
335.12463	14.2
335.22150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.4
55.05511	0.8
57.03405	0.9
57.07066	1.7
57.36242	0.6
67.05503	1.3
69.03412	1.3
69.07059	2.8
69.58868	1.9
69.59306	2.2
71.47775	0.5
73.02908	1.6
79.05498	0.7
80.54613	0.6
81.07026	0.5
83.04937	0.7
85.02869	1.4
85.06530	0.7
91.05479	0.9
93.07024	1.0
94.06554	0.6
95.01270	0.5
95.04932	0.9
95.08604	1.4
96.04462	0.7
107.08608	0.8
108.04460	1.2
109.02845	0.7
109.10180	1.0
119.08555	0.9
122.06033	1.1
123.04440	0.7
124.07574	0.7
129.07069	0.5
131.08513	0.7
134.06007	1.3
136.07541	0.9
137.09625	1.5
138.05524	0.6
139.03835	0.9
140.07028	1.0
150.05498	1.1
155.10658	1.2
156.08064	0.8
158.09654	0.5
159.10182	1.4
160.07597	1.2
164.07115	0.7
167.07034	1.5
168.06567	1.3
170.09662	0.6
172.07568	0.6
172.11250	0.7
173.02895	0.9
173.10661	0.7
178.08638	2.0
184.07547	1.4
186.07788	0.7
186.09247	1.1
187.08676	0.8
188.07062	0.7
194.08098	1.1
198.09177	1.9
199.08679	1.6
200.07043	1.4
200.10751	2.7
201.06653	1.1
201.10193	4.2
202.08769	0.7
211.08708	0.6
212.07123	1.2
213.10211	1.8
214.07170	1.0
214.10724	0.6
215.08150	1.9
215.11636	1.1
216.08887	1.6
217.09717	2.0
218.23750	0.5
219.11427	1.4
225.10252	1.2
226.08595	1.6
227.08168	3.5
227.11794	0.6
228.06709	0.7
228.10371	3.9
229.06171	1.0
229.09683	8.1
230.10329	0.7
231.11211	0.8
243.07634	1.0
243.11284	7.0
244.08333	0.9
245.09200	3.4
245.12769	0.6
247.10703	0.9
253.09590	2.0
254.08127	1.9
255.11263	0.9
256.08301	1.2
257.09204	14.7
258.10052	2.6
263.09161	1.0
265.11929	1.2
271.10742	11.9
272.09067	0.9
281.09079	0.8
287.10257	3.3
289.07037	0.6
289.11798	7.3
299.10199	13.6
302.08911	1.0
307.12762	3.1
312.88699	0.5
317.11279	100.0
318.11615	1.8
335.12415	26.2
335.16449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
69.03432	0.2
69.48371	1.9
73.02903	0.9
81.49867	0.2
97.02855	0.3
98.20676	0.2
98.97591	0.4
101.00880	0.8
111.40959	0.3
113.00858	0.3
119.01924	2.2
120.44859	0.2
126.05478	0.2
131.01912	2.6
133.03358	0.2
137.01917	0.3
137.02965	0.5
143.01863	1.7
145.03444	0.5
149.02936	0.4
155.01878	3.6
157.03442	0.7
161.02945	3.3
163.04500	0.2
173.02957	8.0
174.03134	0.3
175.04501	0.2
183.64098	0.2
185.02875	1.0
191.04004	0.4
193.35995	0.2
197.02956	0.3
203.03722	0.3
203.05307	0.6
215.03976	1.9
217.02528	0.2
233.05069	4.7
234.05266	0.2
245.04999	1.7
253.57860	0.2
254.05605	1.2
254.55577	0.5
263.06155	0.5
275.06030	4.0
275.56311	0.3
293.07196	1.8
312.06735	0.3
334.60394	0.3
335.09467	100.0
336.09775	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05486	1.4
56.05022	2.5
56.96564	8.5
57.03423	7.7
59.04982	1.7
59.43042	1.5
60.95856	2.0
61.02913	5.0
64.82079	1.7
65.10963	1.5
67.05499	2.1
69.03422	16.6
70.06584	4.6
70.21044	6.1
71.04977	3.4
72.85010	1.6
72.85400	1.6
73.02914	13.8
77.06326	1.4
79.05477	1.8
81.03413	7.4
83.04973	1.9
84.08121	6.8
85.02905	26.4
86.03236	2.0
87.04454	3.4
88.03982	1.8
91.03950	1.9
97.02888	15.6
98.97577	21.1
101.00860	2.3
102.96867	3.8
108.08112	14.4
109.02853	3.3
109.08463	14.9
110.07139	1.7
110.08852	1.8
110.09653	2.3
110.97571	2.5
111.00994	1.7
112.99125	4.1
116.07120	1.9
116.98623	9.4
119.01882	7.6
120.97894	3.5
124.07570	5.1
127.03915	6.1
127.08633	2.0
128.10712	8.8
128.98589	6.2
129.10286	1.6
131.00180	8.3
131.01897	7.4
133.03452	7.7
134.05939	2.0
134.99527	6.1
135.06363	2.2
137.07904	2.2
140.02409	2.1
140.07043	3.3
141.14072	1.6
143.00142	1.9
145.01678	2.6
145.03452	5.1
145.04993	3.2
146.99582	4.6
147.05023	2.8
149.01199	7.1
152.07059	11.1
153.05540	1.8
153.07408	8.4
154.07530	2.2
155.01865	3.6
155.07968	4.0
156.10201	2.3
157.03520	4.0
158.08156	1.8
158.99629	2.2
159.04955	2.1
161.01244	3.8
161.02965	6.6
167.02078	1.7
171.05016	3.7
173.01418	2.3
173.02969	8.8
173.04298	3.9
173.06555	4.1
173.09082	4.1
173.12860	4.7
174.11241	18.4
175.04488	2.3
177.00629	5.8
178.04860	2.4
178.55106	2.8
181.00041	1.8
183.01736	1.8
185.02979	4.9
186.04607	3.0
186.99031	1.8
187.04460	2.5
189.00632	2.7
189.06145	2.9
191.02168	4.0
194.05621	2.5
195.05107	4.2
197.02913	2.7
201.00749	2.1
203.03920	3.3
209.03127	1.8
210.82182	2.1
217.00142	1.8
219.01802	6.3
219.07004	2.6
221.05020	9.3
223.04501	2.4
226.09541	1.7
232.04825	2.8
233.08716	1.8
235.06461	1.9
237.02800	18.7
245.04999	3.8
247.06688	2.2
253.07761	2.5
253.59233	2.0
254.08246	8.6
259.06607	3.0
260.99188	2.2
277.07758	2.7
279.03854	2.1
279.09213	4.0
289.08945	2.3
293.02438	1.7
293.05444	7.7
303.05658	4.3
317.13245	9.7
321.10312	4.5
334.61407	7.2
335.09436	100.0
335.13391	46.6
335.61032	2.8
336.09766	3.9
336.16672	3.3
341.07098	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.38128	0.4
55.01859	1.1
55.35036	0.5
56.96555	0.5
57.03424	1.5
60.11564	0.5
61.02914	4.1
69.03423	6.8
70.30683	1.8
71.04971	1.0
73.02895	1.5
81.03408	2.6
81.07101	0.6
84.04500	3.5
85.02898	29.4
86.03198	0.7
91.03947	1.7
91.05473	9.9
97.02891	8.5
98.06065	0.6
98.98460	0.7
99.04436	1.2
101.02318	0.6
109.02879	2.4
109.06499	1.1
119.04936	6.5
127.03889	5.2
137.05968	100.0
138.06297	3.0
138.88896	0.5
145.04955	8.4
151.07602	0.7
153.05490	1.7
154.05760	2.8
155.05759	0.7
155.07019	13.2
155.08223	0.8
162.07585	0.7
163.06042	1.3
165.05476	0.9
167.07034	0.7
171.06572	0.5
172.09660	3.7
174.11224	0.8
179.07056	2.2
180.08636	6.4
203.07065	1.2
207.44435	0.6
221.08191	0.9
245.07942	0.9
251.09241	0.7
256.89957	0.6
263.09070	2.0
289.11905	0.6
311.06516	0.6
317.11435	1.0
334.14899	0.9
335.09543	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44538	0.6
51.55468	0.6
53.03923	1.8
55.01853	1.5
55.05500	4.3
56.96556	1.5
57.03419	1.7
59.04994	0.8
61.02922	3.2
67.05478	0.8
69.03421	7.1
69.07039	1.1
70.06593	0.8
71.04985	3.1
71.21254	1.0
73.02900	1.3
79.05476	2.8
81.03410	4.4
81.07051	13.9
81.67043	0.6
83.04969	0.8
83.08604	5.0
84.04488	1.7
84.08107	1.0
85.02422	1.2
85.02900	16.0
85.06531	3.0
91.03942	1.4
91.05479	1.5
93.07024	2.3
95.04966	1.1
97.02884	6.4
97.05262	0.9
98.06047	1.5
98.09671	2.2
98.97545	2.2
99.04404	1.8
99.08054	1.6
108.08099	3.5
109.02836	2.3
109.06503	14.6
110.06024	0.9
111.08051	0.9
116.98569	0.8
121.06496	4.5
122.03698	0.6
124.07566	2.1
125.05940	0.7
126.05491	0.9
126.09141	42.3
127.03886	5.3
127.07543	14.3
127.09493	0.9
128.98509	0.9
132.05685	0.6
136.07556	2.1
137.05959	12.1
138.06305	1.4
138.09126	0.7
139.03824	0.9
139.07536	0.7
142.08606	6.1
145.04955	1.9
152.71982	0.7
154.08617	61.7
155.07019	25.0
155.08972	1.4
158.99706	0.9
167.06984	2.0
172.09669	100.0
173.08116	1.1
173.10037	2.6
175.07458	1.0
177.00618	0.8
184.09776	0.8
192.69418	0.7
203.07060	0.7
215.11836	0.7
231.06516	0.8
237.02684	1.7
311.06464	1.6
316.13885	1.0
317.11237	1.3
334.08948	15.1
334.15067	1.6
335.09106	3.8
340.64960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2422
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
55.05493	3.6
57.07065	3.5
58.03559	0.9
66.15589	1.0
67.05489	6.0
69.03417	4.1
69.03783	1.0
69.07061	12.7
69.24035	1.0
69.64672	7.5
71.08615	1.3
79.05483	4.3
81.07050	10.4
83.08609	3.4
89.27332	1.0
91.05484	3.0
93.07026	4.6
95.04948	1.2
95.08600	28.9
97.10140	1.3
98.98462	12.3
105.07024	3.5
107.08591	10.3
109.06499	3.0
109.10152	9.0
111.11694	2.9
117.07027	1.2
119.08545	4.3
121.06472	1.7
121.10144	6.7
123.08076	2.0
123.11722	5.5
123.32700	1.1
125.05968	1.8
125.13236	6.3
127.03814	1.3
131.08591	1.8
133.10149	5.7
135.08041	100.0
135.11664	3.7
136.08380	2.3
137.13303	6.6
145.10132	2.7
146.31221	1.1
147.11703	2.0
147.73578	0.9
149.09605	21.7
149.13223	2.3
151.14799	2.2
159.11674	3.2
161.09610	4.2
161.13210	2.2
163.11183	3.3
163.14771	1.4
168.19492	1.2
169.08578	1.9
173.13234	1.3
175.11171	3.6
175.14819	2.5
176.98950	1.6
177.09079	2.8
177.12743	3.4
181.08607	3.1
185.13272	1.1
187.14748	1.3
189.12727	2.9
191.17876	1.8
191.89482	1.0
195.10207	2.9
203.14430	1.4
255.21097	3.5
273.22098	29.5
274.22528	1.3
279.21033	3.1
287.23682	1.1
297.22150	9.4
315.23138	10.0
333.24197	81.7
333.34573	5.2
334.24457	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
55.52390	0.4
56.96558	0.7
57.07061	1.1
62.90319	0.4
69.07079	0.5
69.34938	0.7
69.35353	3.6
71.08619	0.6
79.40563	0.4
81.07037	0.9
83.22009	0.4
88.07593	0.5
93.07009	0.7
95.08601	0.6
98.98460	5.0
105.07011	0.7
107.08600	0.8
109.06476	0.5
116.98603	0.3
116.99474	0.4
118.07580	0.3
121.10141	0.7
124.45050	0.4
133.10127	0.6
134.99660	0.4
145.10155	0.4
147.11708	0.5
149.02367	0.8
149.13255	0.5
173.01724	0.4
193.04956	2.0
247.12926	1.9
262.10730	0.7
302.23972	1.5
315.19312	6.5
333.20346	100.0
333.26047	3.1
333.76086	1.2
334.20587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66114	0.9
56.96559	3.9
57.07063	1.9
60.32895	0.9
63.14883	0.8
65.76774	0.8
67.05498	1.5
67.87160	0.9
70.42791	2.6
79.05488	1.4
81.07059	2.0
83.04979	0.9
87.04459	2.0
88.07624	2.0
91.05480	2.2
93.07048	1.7
95.08613	2.0
98.98462	17.4
105.07029	1.9
107.08605	2.0
109.02868	1.5
113.87475	0.9
115.18719	0.9
119.08589	2.5
121.10114	1.6
133.10167	1.8
135.07947	0.8
138.40598	0.8
145.10077	1.4
149.02361	2.8
167.07178	1.1
176.98851	2.2
188.72385	0.8
193.04916	4.3
201.09653	0.9
215.11485	1.0
243.12654	1.5
253.13025	0.9
261.13831	1.2
271.28140	2.0
287.11728	5.0
302.24225	1.2
312.38034	0.9
333.20361	100.0
333.25378	6.6
333.31570	5.2
333.75888	2.0
334.20755	2.5
351.19983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01858	1.3
55.05505	2.0
56.96559	0.7
57.03423	1.1
57.07057	0.7
59.04973	0.3
61.02905	0.9
65.03936	0.3
67.05492	0.7
68.99778	1.6
69.03419	2.8
69.07065	2.6
71.04987	4.4
71.60667	0.5
73.02895	1.3
76.69396	0.3
79.05482	1.9
81.03407	1.7
81.07054	4.2
83.04960	1.1
83.08618	0.6
85.02901	9.1
86.09714	0.3
91.05469	2.3
93.03403	0.5
93.07037	4.6
95.04967	1.6
95.08604	2.0
97.02892	2.3
97.06522	0.8
98.97547	0.5
98.98456	2.9
99.04435	0.6
103.03945	1.0
103.05444	0.6
105.07017	4.5
107.01206	0.3
107.04961	1.0
107.08588	4.5
108.02087	0.5
109.02885	3.0
109.06493	1.4
109.10107	0.9
111.00807	2.0
111.04421	0.8
111.08061	0.5
115.03905	0.8
115.05484	0.5
116.98603	0.5
117.07014	0.9
119.04921	0.7
119.08574	3.7
121.02856	0.7
121.06486	1.3
121.10148	0.9
123.04403	1.1
123.08076	1.0
124.05193	0.4
125.05956	0.4
125.13232	0.3
126.03138	0.5
127.03896	2.2
129.05530	0.3
129.07016	0.6
131.04916	0.5
131.08548	2.2
132.17819	0.3
133.02806	0.4
133.04944	1.0
133.06451	0.9
133.10091	0.5
134.99698	0.4
135.04396	0.4
135.08061	0.8
135.11690	3.0
137.02319	1.9
137.05972	5.2
137.09621	0.4
137.13222	0.8
138.03146	0.4
139.03894	3.6
143.08545	1.2
145.04944	1.3
145.06369	0.7
145.10106	2.4
147.04395	0.5
147.08031	3.6
147.11641	1.2
149.06017	0.4
149.09560	1.0
150.06708	0.8
151.03943	0.8
151.07503	0.7
151.11162	0.5
152.06154	0.5
153.01814	11.7
153.05359	0.5
153.06987	0.4
153.12738	4.5
154.02219	0.4
155.08499	0.7
157.10172	0.5
159.08057	1.3
159.11626	0.8
161.01291	0.4
161.05940	0.6
161.09538	0.8
161.13318	0.6
163.06062	0.4
163.07492	0.9
163.11192	0.4
165.01837	3.0
165.06885	0.4
165.12749	4.6
166.02666	0.8
167.03407	3.6
167.07040	4.6
167.08391	0.6
171.08031	0.6
171.11716	0.5
173.09608	2.2
173.13249	1.3
175.07507	0.9
176.98891	0.4
177.05423	0.4
177.12723	1.5
179.03400	1.3
181.06499	0.4
181.08670	0.5
183.02905	1.1
183.08063	0.6
183.11766	0.7
189.05504	1.1
189.09088	0.7
189.12709	1.4
191.10695	0.8
193.04915	1.0
193.08592	0.5
195.02840	0.3
195.11707	0.4
198.06795	0.4
201.12720	0.7
205.04941	1.1
206.05754	0.8
207.02820	0.4
207.13768	0.5
208.03633	1.5
209.11829	0.4
211.07550	0.4
215.03423	0.5
216.04150	0.9
217.04942	5.6
218.05301	0.6
219.02896	6.3
219.13785	0.8
220.03311	0.6
227.03308	0.4
227.06982	0.4
231.02699	0.5
231.13786	1.4
233.04472	2.9
234.05168	0.9
241.04840	0.6
243.02840	1.2
243.13779	0.6
244.03636	2.4
245.04434	6.3
247.02364	0.5
249.14873	0.3
252.09378	1.0
255.02849	0.6
259.06006	1.5
261.03979	2.3
261.14771	1.8
262.04666	0.3
272.03195	0.9
273.03925	6.3
273.11304	0.4
277.06958	1.6
279.15945	1.4
287.05511	1.4
288.09869	1.7
289.03436	4.3
290.04172	2.2
297.17007	1.6
300.02502	0.6
301.03397	8.8
301.10672	0.7
302.03766	0.9
303.12506	0.3
304.05655	0.5
315.05014	0.7
315.18048	3.2
318.03693	15.9
319.03995	1.4
333.06021	100.0
334.06357	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	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03933	3.4
55.01864	3.8
55.05503	5.0
57.03427	6.1
57.07074	19.1
59.05001	8.0
59.45526	1.1
61.02922	12.1
67.05496	10.8
69.03426	31.6
69.07063	12.4
71.05006	6.2
71.62531	1.8
73.02900	4.5
73.06562	1.4
79.05482	2.4
81.03411	12.8
81.07053	8.2
83.04965	5.0
83.08610	5.0
85.02901	89.3
85.06537	12.8
86.09679	2.4
87.04434	2.1
91.03964	6.3
91.05466	4.4
91.46288	1.3
93.07056	7.6
95.04956	4.4
95.08599	61.2
97.02885	26.2
97.06518	8.4
98.98467	9.0
99.04433	4.4
99.08094	15.9
105.07019	2.1
107.04950	1.6
107.08582	10.4
109.02857	7.7
109.06493	11.0
109.10149	19.4
111.08068	11.4
111.11732	1.6
113.09637	87.0
123.04401	2.0
123.07917	1.5
123.11777	1.8
125.05945	1.4
125.09645	2.0
127.03897	19.1
127.11184	45.2
131.08525	1.5
133.04980	1.9
133.10051	1.2
135.11681	20.0
137.02274	1.4
137.05936	9.7
137.09673	2.0
137.13268	5.6
145.04950	22.5
151.03967	1.4
151.07527	2.2
152.07039	1.9
153.12735	100.0
155.14308	15.1
159.11710	1.8
163.06033	2.0
167.07104	7.7
169.12218	5.3
171.13805	67.2
172.14149	1.6
174.03143	1.4
174.13190	1.4
177.12691	3.2
195.13724	1.9
208.06148	1.6
213.10400	1.8
213.14833	6.3
215.03389	2.5
226.11000	3.1
227.11813	3.8
228.10132	1.5
249.15025	1.5
255.11296	3.0
270.09937	6.5
271.10428	1.6
272.11572	5.9
273.12299	3.1
278.45993	1.3
279.15982	1.8
288.09866	3.6
297.16983	2.4
301.11823	37.0
333.07498	4.9
333.14371	15.1
333.19016	10.7
334.07996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01858	1.3
55.05505	2.0
56.96559	0.7
57.03423	1.1
57.07057	0.7
59.04973	0.3
61.02905	0.9
65.03936	0.3
67.05492	0.7
68.99778	1.6
69.03419	2.8
69.07065	2.6
71.04987	4.4
71.60667	0.5
73.02895	1.3
76.69396	0.3
79.05482	1.9
81.03407	1.7
81.07054	4.2
83.04960	1.1
83.08618	0.6
85.02901	9.1
86.09714	0.3
91.05469	2.3
93.03403	0.5
93.07037	4.6
95.04967	1.6
95.08604	2.0
97.02892	2.3
97.06522	0.8
98.97547	0.5
98.98456	2.9
99.04435	0.6
103.03945	1.0
103.05444	0.6
105.07017	4.5
107.01206	0.3
107.04961	1.0
107.08588	4.5
108.02087	0.5
109.02885	3.0
109.06493	1.4
109.10107	0.9
111.00807	2.0
111.04421	0.8
111.08061	0.5
115.03905	0.8
115.05484	0.5
116.98603	0.5
117.07014	0.9
119.04921	0.7
119.08574	3.7
121.02856	0.7
121.06486	1.3
121.10148	0.9
123.04403	1.1
123.08076	1.0
124.05193	0.4
125.05956	0.4
125.13232	0.3
126.03138	0.5
127.03896	2.2
129.05530	0.3
129.07016	0.6
131.04916	0.5
131.08548	2.2
132.17819	0.3
133.02806	0.4
133.04944	1.0
133.06451	0.9
133.10091	0.5
134.99698	0.4
135.04396	0.4
135.08061	0.8
135.11690	3.0
137.02319	1.9
137.05972	5.2
137.09621	0.4
137.13222	0.8
138.03146	0.4
139.03894	3.6
143.08545	1.2
145.04944	1.3
145.06369	0.7
145.10106	2.4
147.04395	0.5
147.08031	3.6
147.11641	1.2
149.06017	0.4
149.09560	1.0
150.06708	0.8
151.03943	0.8
151.07503	0.7
151.11162	0.5
152.06154	0.5
153.01814	11.7
153.05359	0.5
153.06987	0.4
153.12738	4.5
154.02219	0.4
155.08499	0.7
157.10172	0.5
159.08057	1.3
159.11626	0.8
161.01291	0.4
161.05940	0.6
161.09538	0.8
161.13318	0.6
163.06062	0.4
163.07492	0.9
163.11192	0.4
165.01837	3.0
165.06885	0.4
165.12749	4.6
166.02666	0.8
167.03407	3.6
167.07040	4.6
167.08391	0.6
171.08031	0.6
171.11716	0.5
173.09608	2.2
173.13249	1.3
175.07507	0.9
176.98891	0.4
177.05423	0.4
177.12723	1.5
179.03400	1.3
181.06499	0.4
181.08670	0.5
183.02905	1.1
183.08063	0.6
183.11766	0.7
189.05504	1.1
189.09088	0.7
189.12709	1.4
191.10695	0.8
193.04915	1.0
193.08592	0.5
195.02840	0.3
195.11707	0.4
198.06795	0.4
201.12720	0.7
205.04941	1.1
206.05754	0.8
207.02820	0.4
207.13768	0.5
208.03633	1.5
209.11829	0.4
211.07550	0.4
215.03423	0.5
216.04150	0.9
217.04942	5.6
218.05301	0.6
219.02896	6.3
219.13785	0.8
220.03311	0.6
227.03308	0.4
227.06982	0.4
231.02699	0.5
231.13786	1.4
233.04472	2.9
234.05168	0.9
241.04840	0.6
243.02840	1.2
243.13779	0.6
244.03636	2.4
245.04434	6.3
247.02364	0.5
249.14873	0.3
252.09378	1.0
255.02849	0.6
259.06006	1.5
261.03979	2.3
261.14771	1.8
262.04666	0.3
272.03195	0.9
273.03925	6.3
273.11304	0.4
277.06958	1.6
279.15945	1.4
287.05511	1.4
288.09869	1.7
289.03436	4.3
290.04172	2.2
297.17007	1.6
300.02502	0.6
301.03397	8.8
301.10672	0.7
302.03766	0.9
303.12506	0.3
304.05655	0.5
315.05014	0.7
315.18048	3.2
318.03693	15.9
319.03995	1.4
333.06021	100.0
334.06357	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	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
55.47126	0.6
56.96561	33.7
57.03432	0.7
58.32386	0.6
67.05495	4.1
69.07057	1.1
70.50500	2.7
71.95257	4.6
72.96034	1.4
74.01900	0.6
74.97588	3.1
79.05493	3.4
81.07038	3.9
81.54871	0.7
83.04964	0.7
84.96019	2.1
87.23022	0.7
88.37497	0.7
89.50865	0.8
91.05461	2.4
92.98622	1.0
93.07023	3.2
95.04935	0.7
95.08590	2.1
97.96804	0.9
97.99187	0.8
98.98458	9.0
105.00149	0.7
105.07024	2.0
107.08579	1.9
109.06484	1.1
109.10144	0.8
110.97521	3.8
115.97809	1.0
116.98542	1.0
118.68031	0.7
119.08601	1.5
121.10191	1.3
123.01215	0.7
128.98595	11.8
129.05502	1.0
131.00111	1.0
133.98856	1.0
134.99605	0.7
135.11604	0.8
137.02721	1.4
141.02190	1.7
146.99638	20.9
147.11757	0.8
149.01163	1.0
152.00064	1.5
155.03804	2.0
161.01173	3.6
161.04803	1.2
165.00729	6.9
170.01241	2.3
175.02831	1.6
176.98851	1.2
179.02303	2.0
189.04274	3.7
193.03793	1.1
193.71553	0.7
203.05875	2.2
207.07042	1.0
208.06189	1.1
217.07394	0.7
225.07999	1.8
227.09375	0.9
241.11075	1.2
245.10550	1.1
259.12201	1.3
263.09546	4.6
264.10330	0.8
265.11197	1.3
277.11160	1.2
281.10513	1.0
283.12164	0.8
303.12708	2.8
313.14880	1.3
315.16272	49.6
316.16718	2.5
321.13687	1.7
331.15692	4.1
333.17316	100.0
333.24100	4.4
334.17676	5.0
349.16776	0.9
351.18393	25.1
352.18945	1.4
354.17191	1.0
356.18927	34.1
357.19266	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1175
Annotation	Unedoside
Peak:m/z	Relative Intensity
53.03937	1.2
55.01858	1.0
56.96548	1.2
57.03416	1.8
61.02924	2.4
61.46299	0.4
63.47081	0.4
67.05495	0.5
68.99774	0.5
69.03420	6.5
69.07050	0.6
70.94688	0.4
71.04990	0.8
71.58718	0.4
71.59197	0.6
72.08164	0.4
73.02906	1.3
79.05482	4.9
79.97968	0.3
81.03410	2.6
81.07059	0.7
83.01324	0.5
84.04501	1.9
85.02898	18.1
85.07681	0.7
87.04440	0.9
89.47703	0.4
90.94847	0.4
91.03947	1.4
91.05448	1.0
93.06992	0.5
95.04970	1.2
97.02892	6.0
97.06464	0.5
98.97560	1.7
98.98462	7.7
99.04445	1.0
99.08096	0.4
100.98912	0.5
107.04949	17.3
109.02853	2.2
116.98631	0.8
124.07583	1.4
125.05996	1.7
125.07900	0.8
127.03895	3.6
134.99635	0.7
135.04407	11.4
137.05959	4.2
145.04962	2.8
145.06386	0.4
146.99683	0.5
152.06921	0.4
153.05453	100.0
154.05786	2.2
167.07059	0.6
170.08089	1.0
171.06520	23.9
171.08333	1.2
172.06850	0.8
172.09717	1.0
176.98790	1.2
181.04965	0.6
189.04340	0.9
207.05405	0.7
223.88942	0.4
234.98965	0.7
293.04898	0.4
311.06519	0.5
333.07611	0.4
333.14755	0.7
351.09619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.00293	0.3
53.03934	0.8
55.01852	0.6
62.67387	0.2
64.47559	0.3
65.03926	2.1
67.05489	1.2
68.99773	1.2
69.03425	0.5
69.07072	0.3
69.41890	2.8
70.10581	0.3
71.04957	0.3
71.69411	0.3
79.05489	3.9
81.03402	0.8
81.07034	1.1
83.04958	0.4
83.08595	0.3
86.03139	0.3
91.05473	1.8
93.03381	0.4
93.07030	1.0
94.04146	0.4
95.04968	3.2
95.08588	0.9
96.05724	0.4
97.06528	0.4
98.21446	0.4
98.98491	1.9
105.03378	0.4
105.04519	0.3
105.07042	0.5
106.04153	0.4
107.04951	8.4
107.08593	0.5
108.02065	3.1
109.02831	0.5
109.06514	1.2
109.10137	0.8
111.04429	2.0
111.08044	0.3
119.04913	0.4
119.08580	0.7
121.02851	1.0
121.03920	0.4
121.06485	0.6
121.10148	0.3
122.03626	0.6
122.33784	0.3
123.04410	2.5
123.08012	0.3
124.05198	4.5
125.05952	0.8
133.02841	0.7
133.06563	0.3
133.10135	0.6
134.03630	0.3
135.04420	1.4
137.02332	10.1
137.03392	0.5
137.05962	5.3
138.03087	0.8
139.07526	5.9
147.04422	0.6
147.08081	0.4
150.02994	0.4
151.03893	100.0
152.04671	3.6
153.01822	1.6
153.05428	2.2
154.02589	1.4
155.07101	0.3
163.03943	2.2
165.01831	7.6
165.07021	0.4
166.02582	2.3
167.07033	12.9
176.38644	0.3
179.03394	9.5
179.06902	0.4
180.04152	5.2
181.04948	17.9
182.05376	0.6
183.08083	0.4
184.03691	0.4
184.41322	0.3
195.06520	16.9
196.06961	0.6
197.08087	0.4
207.06396	0.3
223.03911	0.3
227.06972	0.7
255.06451	0.4
257.04468	0.3
259.09662	0.5
269.18839	0.3
272.06937	0.5
273.11130	0.6
287.09103	4.6
288.09827	3.5
297.18790	0.4
301.10660	0.6
303.12256	0.6
305.10086	0.7
312.42484	0.3
315.08667	1.4
315.19507	0.5
315.71051	0.3
333.09430	1.5
333.20654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03937	0.7
55.01864	0.8
56.96552	0.8
57.03430	3.0
61.02911	2.9
65.03918	1.0
67.05495	2.7
69.03068	0.6
69.03418	7.2
70.75921	0.3
70.85847	1.0
71.01355	0.5
71.04982	1.1
73.02909	5.5
75.91154	0.3
79.05473	1.5
80.05003	0.3
81.03416	1.6
81.05755	0.5
81.07039	0.9
82.06601	0.4
83.01375	0.3
85.02895	8.7
87.04446	2.0
93.05782	1.0
96.08116	1.2
97.02876	4.3
98.97575	1.3
99.04428	0.8
101.02396	0.5
106.02819	0.4
106.06540	5.3
108.08104	100.0
109.02876	1.1
109.08445	1.1
112.99136	1.4
115.03893	0.7
116.98600	0.5
123.06801	4.3
124.07580	17.4
127.03886	1.9
131.00136	1.8
133.03365	0.5
134.06000	13.5
136.07561	12.6
149.01215	0.8
150.05444	0.5
152.07047	70.8
153.07399	0.9
154.08586	1.9
158.99712	0.4
160.94281	0.3
169.04402	0.6
170.08113	9.3
170.09563	0.5
173.01202	0.4
175.02773	0.3
178.04929	3.0
178.55110	0.4
219.01761	0.7
220.17308	0.4
237.02846	1.1
250.07024	0.5
251.07811	0.7
254.10181	0.4
266.08371	1.2
266.58676	0.3
314.12289	25.4
315.12582	0.6
332.13403	46.2
333.13565	1.1
337.08072	1.3
350.02444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.17149	1.3
52.02359	1.1
55.05511	10.7
57.03432	6.7
57.07071	100.0
57.31050	1.1
67.05167	1.7
67.05498	23.9
69.07068	16.5
70.06556	1.1
70.58222	4.5
71.08626	68.7
75.04442	3.2
77.35737	1.2
78.92400	1.2
79.05499	1.6
81.06575	1.9
81.07054	36.7
83.08607	24.8
85.10175	35.7
89.06027	2.0
93.07040	1.5
94.82852	1.2
95.08600	57.9
97.10170	13.3
97.53571	1.3
98.98459	59.1
99.11700	2.2
103.07550	1.7
109.10150	26.8
111.11703	4.5
113.13261	1.4
116.99437	1.2
121.10139	1.5
123.11697	12.6
125.13271	2.3
127.03888	1.1
137.13214	4.0
151.14749	3.5
160.96965	1.3
174.99184	4.2
175.11214	1.2
176.98909	6.1
221.22588	2.3
239.23666	29.0
252.99702	2.0
257.24731	5.1
298.27451	1.6
313.27347	76.1
314.27658	2.3
331.13748	2.4
331.22610	1.6
331.33960	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
54.29568	1.0
55.05507	13.3
57.03005	1.0
57.03444	7.1
57.07074	100.0
58.07397	1.1
67.05164	1.9
67.05502	22.6
69.07063	20.8
70.06564	1.8
71.08628	78.9
72.08971	1.2
75.04457	3.9
79.05476	1.5
81.07053	36.0
83.08130	1.7
83.08614	29.3
85.06543	1.7
85.10177	42.0
86.10502	1.0
88.07603	2.4
89.06006	1.3
93.06989	1.0
95.08599	57.7
97.10169	15.0
98.20707	1.8
98.98461	26.6
99.11720	4.1
100.98858	1.3
101.38267	0.9
109.10151	29.4
111.11702	4.5
113.13284	1.0
117.09081	1.0
119.59297	1.0
123.11706	13.3
125.13235	3.8
135.11662	1.6
137.13203	7.4
151.14809	3.3
165.16391	2.2
174.99216	1.8
176.98891	3.1
182.66278	1.0
221.22633	4.9
239.23700	38.5
257.24704	8.0
275.25760	1.4
298.27356	1.8
313.27344	97.1
313.33176	2.7
314.27789	2.0
331.13562	1.2
331.26312	1.2
331.33987	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96894	1.5
55.05504	8.5
57.03427	6.8
57.06781	3.7
57.07068	70.8
61.60611	1.4
66.00555	1.4
67.05496	20.8
69.07059	12.8
70.04351	7.6
71.08622	55.3
74.53976	1.4
75.04491	3.1
77.08173	1.4
79.05513	1.9
81.07048	28.3
83.08607	19.6
85.06533	2.0
85.10170	25.1
89.06033	2.1
93.07058	2.2
95.08597	44.8
97.10178	11.6
98.98456	100.0
99.11726	2.0
100.98868	2.8
106.97932	1.6
109.10156	19.2
111.11739	3.5
116.99516	5.4
120.49828	1.6
123.11684	7.5
125.13265	4.0
127.03915	2.4
128.63811	1.4
137.13246	5.9
139.14763	1.7
140.01112	3.9
165.16397	1.7
174.99265	4.5
176.98894	11.2
187.57147	1.6
221.22591	2.6
239.23616	22.2
252.99791	1.8
254.99593	2.0
257.24722	3.9
313.27325	56.0
320.09531	1.4
331.29932	2.1
331.33920	2.4
344.54013	1.4
349.46243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.97754	1.1
55.05516	10.9
57.03444	6.2
57.07075	100.0
60.36015	1.1
61.06476	1.1
67.05505	23.0
69.07066	15.4
69.52411	9.4
69.52817	2.3
70.06590	3.4
70.70761	1.2
71.08630	63.8
72.48393	1.1
73.96396	1.2
75.04479	3.4
79.05476	1.9
81.06577	1.9
81.07053	34.1
83.08617	21.9
85.10181	38.7
88.07642	3.2
95.08604	47.1
95.24535	1.5
97.10167	12.9
98.00128	1.4
98.98462	7.9
99.11731	2.9
103.07602	1.5
106.08681	2.0
109.10156	25.6
111.11743	3.7
112.97929	1.1
115.17989	1.2
117.09145	1.4
123.11697	10.8
125.13271	3.1
127.14844	1.4
137.13254	5.1
151.14874	2.6
165.16312	1.6
221.22667	3.3
239.23685	24.6
257.24774	6.8
272.79855	1.4
273.47412	1.5
313.27368	68.0
314.27771	2.2
331.34042	22.2
334.59732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1748
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
52.05296	0.8
55.01854	1.4
55.05506	1.2
55.29386	0.6
56.65071	0.7
57.03444	0.9
57.07059	2.7
61.02906	0.9
67.05498	4.4
69.03431	6.5
69.07050	2.8
71.04990	3.6
71.06944	2.0
79.05472	2.3
81.03397	2.1
81.07050	7.2
83.04970	2.3
85.02903	6.6
85.06537	11.1
86.09698	1.0
91.05473	7.7
93.07037	1.9
94.04161	0.7
94.06543	1.4
95.04956	3.1
95.08614	2.3
97.02873	1.2
97.06511	1.0
98.09754	0.9
98.97536	1.7
98.98461	30.8
98.99110	1.5
99.04431	0.9
103.05457	2.6
105.07014	2.5
107.04945	5.9
107.08569	2.4
109.02834	1.1
109.06500	3.1
109.10146	10.8
110.06013	1.6
111.08055	1.6
113.05993	2.9
115.05504	0.8
116.99576	1.1
117.07021	0.8
119.04926	2.8
119.08598	1.1
121.06491	3.0
121.10162	3.9
122.03645	1.8
122.06030	3.8
123.04408	1.7
123.08062	1.4
123.11704	10.8
124.07600	0.9
127.03973	1.6
128.06229	1.3
129.07004	4.6
131.04926	2.1
131.08496	0.8
133.06467	1.6
133.10132	1.3
135.08035	2.2
137.05968	21.3
138.06297	0.9
139.11171	3.3
140.07076	6.5
144.04422	1.3
145.04901	1.0
145.06471	1.2
146.05957	1.1
146.07118	0.7
147.08006	0.8
148.05284	0.8
149.05969	4.5
151.03888	1.5
151.07539	18.7
151.11169	5.6
152.06203	1.0
157.06476	3.0
159.08095	0.7
161.05972	13.3
161.09586	3.0
163.07545	8.4
165.06996	2.9
165.09030	0.9
167.07181	1.3
167.08582	3.9
169.12234	100.0
170.12621	2.7
172.03947	4.2
173.12993	1.0
174.06773	1.8
174.99197	1.6
175.07556	1.4
176.98911	3.0
178.07626	1.2
181.06535	1.0
181.08531	1.9
182.07343	1.4
189.09100	11.8
190.04991	20.7
191.05440	0.9
193.06435	2.0
193.10135	1.5
194.07114	1.3
194.99770	0.7
195.08078	4.8
197.05919	1.0
207.08260	1.3
207.10115	6.5
209.09636	0.8
210.06776	1.5
211.07527	1.3
212.08421	0.9
219.06062	1.0
221.05966	2.5
221.09624	1.8
223.07579	2.1
224.08284	0.9
225.09073	2.6
227.10626	4.7
238.06320	2.1
241.08202	0.8
241.96222	0.7
244.09685	0.9
249.09120	1.1
253.08539	2.4
253.12184	2.6
255.10149	6.0
263.10773	0.8
269.08185	0.9
281.11639	1.4
285.11136	6.0
287.12796	9.0
288.13165	1.0
289.11798	1.8
313.11258	0.9
313.14490	2.8
331.07239	1.5
331.12396	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90221	1.6
55.01861	2.5
55.05508	3.1
55.23938	1.7
56.05933	1.7
56.44183	1.6
56.56054	1.8
65.03946	2.1
67.05491	4.9
68.48838	1.5
69.03417	7.5
69.07069	2.1
69.62966	4.1
69.63388	8.2
71.04994	2.1
79.05492	6.9
81.03406	3.7
81.07034	9.3
83.04977	5.4
83.08649	2.7
85.02906	6.6
85.06527	9.5
86.09689	2.4
91.04890	1.9
91.05475	38.4
93.07062	2.3
94.04198	2.6
95.04980	10.8
95.08603	2.3
97.02872	3.0
98.09689	2.3
98.21484	2.5
98.98464	77.3
98.99117	3.7
103.05467	12.1
105.07008	9.7
107.04275	2.9
107.04953	34.9
107.08570	2.8
109.06501	7.3
109.10165	9.9
111.04414	1.8
111.08060	2.1
113.05984	2.7
115.05448	4.6
116.99516	2.2
117.06985	3.4
119.04927	18.8
120.08105	3.1
121.06509	16.5
121.10181	4.5
122.03661	9.5
123.08115	2.0
123.11716	10.6
127.03870	1.8
128.06221	4.8
128.83507	1.8
129.06992	20.5
131.04901	8.3
131.08530	3.8
133.02827	3.9
133.06476	4.8
133.10182	2.0
135.04373	4.2
135.08032	13.1
135.10216	1.8
136.05161	3.1
137.05977	95.9
138.06250	1.9
139.11182	3.5
140.07027	1.8
143.04907	2.2
144.05432	1.7
145.06490	4.8
146.07239	4.0
147.04399	2.5
148.05209	7.0
149.05986	22.5
150.06747	5.1
151.03966	3.5
151.07536	100.0
151.11188	6.7
152.06189	3.3
153.06950	2.7
157.06520	11.6
161.05974	86.4
161.09598	22.1
163.07536	56.8
163.08926	2.4
165.05646	3.0
165.07002	14.0
165.09128	5.6
167.08542	17.3
169.08426	2.6
169.12231	73.0
174.06767	10.3
174.99181	3.8
175.07532	4.6
176.98941	9.0
177.00374	1.7
177.09126	2.1
178.07800	5.8
179.08601	3.1
181.05013	2.8
181.06497	5.2
181.08601	7.4
181.10118	2.7
182.07277	4.6
183.08022	2.7
187.07602	2.6
189.09108	75.9
190.05029	6.7
193.06442	8.3
193.10114	10.4
194.07307	3.2
195.08083	26.9
197.05984	5.8
197.09720	1.9
203.05234	2.0
203.08472	3.6
205.06503	2.1
206.07082	1.8
207.08257	3.1
207.10152	54.4
207.12042	3.7
209.05853	2.4
209.09528	2.9
210.06808	10.5
211.07538	5.0
212.08336	3.5
221.06039	12.1
221.09607	12.0
223.07480	10.1
224.08302	5.2
225.05589	2.4
225.09071	11.9
227.07100	2.7
227.10643	30.8
237.05556	2.2
237.09111	3.4
238.06210	8.6
239.07129	2.8
239.10941	2.8
240.07819	3.9
241.08582	2.5
241.12102	2.3
249.09135	6.1
251.06989	2.8
252.07758	2.2
252.99634	3.1
253.08533	17.7
253.12207	19.3
255.10143	31.2
267.10172	5.9
269.08273	3.7
269.11639	2.7
270.08902	2.6
272.10410	4.1
281.11740	6.7
285.11200	22.2
287.12772	53.8
298.11838	2.3
299.12637	1.8
313.14206	18.7
331.07367	1.9
331.13269	19.9
331.29257	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01860	4.0
55.05502	5.5
60.74704	1.4
64.56978	1.5
65.03920	1.7
65.52249	1.7
67.05500	2.2
69.03421	6.8
69.07055	2.5
69.41306	16.4
71.05006	3.3
79.05482	3.9
81.03399	4.0
81.07058	3.5
83.04959	3.2
85.02892	3.5
86.46182	1.4
90.06738	1.6
91.05464	27.3
93.07007	1.8
94.04131	2.7
95.04966	6.8
95.08582	3.3
97.02840	2.1
98.98460	16.9
99.04430	2.8
100.95542	1.6
103.05472	4.8
105.07029	3.4
107.04955	7.1
109.06512	5.4
111.04462	1.9
111.08029	2.6
113.09656	1.6
115.05443	2.5
117.07019	2.0
119.04927	19.3
121.06492	7.2
122.03636	6.2
127.03944	3.7
128.06223	3.5
129.07001	15.2
131.04926	6.6
131.08620	2.2
133.06415	2.8
135.08060	8.4
136.05173	1.8
137.05962	85.7
139.07468	1.9
141.09045	3.0
145.06485	3.8
146.03702	1.8
146.07246	2.3
147.04333	1.9
149.05991	13.7
151.03897	3.0
151.07532	100.0
152.06198	3.0
152.07898	3.2
153.06967	4.1
154.07831	1.8
157.06464	10.3
161.05966	16.4
161.09644	4.2
163.07509	19.1
165.07025	9.8
165.09132	3.9
166.07780	2.5
167.07176	3.1
167.08543	15.5
169.06422	2.5
174.06761	6.9
175.07515	4.1
176.98999	2.9
177.07034	2.5
177.09059	3.8
178.07768	5.1
181.06447	7.2
182.07257	2.6
189.09082	36.9
191.81435	1.6
193.06471	10.2
193.10088	8.9
194.07265	3.8
195.08049	22.6
197.05974	5.6
202.07713	2.2
203.08580	2.7
205.06482	2.2
206.07236	3.0
207.08127	2.9
207.10193	5.5
209.05983	2.0
209.09718	3.9
209.11771	5.4
210.06758	8.8
211.07503	2.8
212.08318	4.5
220.24702	1.6
221.05984	9.8
221.09488	13.7
223.07449	10.7
224.08269	2.2
225.09052	7.7
227.07138	2.3
227.10643	29.4
237.09074	3.6
238.06190	6.8
238.09984	1.9
239.06886	2.7
240.07813	2.7
241.12354	2.2
249.09126	6.2
253.08578	14.4
253.12202	18.3
255.10138	29.3
256.10706	2.5
267.10138	6.4
269.08041	6.0
269.11566	2.2
272.10431	4.0
281.11658	7.3
285.11185	18.4
286.74393	1.8
287.12726	65.7
288.13132	2.4
295.11746	5.8
299.12952	2.4
301.14191	2.3
313.08215	3.4
313.14325	22.7
315.05032	2.9
331.08270	8.2
331.11691	9.1
331.15363	12.7
332.08597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.02386	0.9
55.01862	1.1
58.04741	0.7
65.03932	1.7
69.03413	1.1
71.62918	0.9
74.98596	0.7
78.95049	0.6
79.05485	2.9
81.03425	0.7
81.07042	2.6
85.02869	0.7
91.05476	29.1
93.07013	1.5
94.04164	3.0
95.04951	7.4
95.08584	1.3
97.02869	0.6
98.98459	33.3
100.98887	0.7
103.05455	4.4
105.07025	5.2
107.04963	6.3
107.08599	0.8
109.06512	4.7
111.04453	1.4
115.05457	2.2
116.99485	1.4
117.06995	1.9
119.04936	17.4
121.02873	1.5
121.06491	7.0
122.03661	6.4
123.04381	1.1
123.08080	1.1
128.06212	4.4
129.06999	15.8
131.04930	5.8
131.08574	2.4
132.05678	0.9
133.06490	2.1
134.03624	1.1
135.08000	5.5
136.05188	3.9
137.05965	84.7
138.06308	1.6
139.07512	0.6
141.06992	0.6
143.04898	1.9
144.05673	0.7
145.06511	4.2
146.03635	1.6
146.07213	1.5
147.04407	1.4
147.08031	1.6
148.05159	1.6
149.05969	14.2
150.06726	1.5
151.03979	3.5
151.07532	100.0
152.06158	3.4
152.07854	2.1
152.63747	0.7
153.06911	1.2
154.07765	1.0
157.06477	13.3
158.07111	0.7
159.04308	0.6
160.05215	1.0
161.05992	15.8
161.09590	4.7
162.06650	0.9
163.03955	1.1
163.07529	22.4
164.08208	0.6
165.06987	11.4
165.09093	4.3
166.07806	3.2
167.07182	1.3
167.08545	15.6
169.06477	2.1
171.04366	0.8
174.06772	6.4
174.99225	2.0
175.07541	4.2
176.08308	1.1
176.98944	3.0
177.06973	2.2
177.09120	3.7
178.07726	6.4
179.08539	3.0
181.05055	1.0
181.06467	4.3
181.10088	1.4
182.07262	4.3
183.08014	1.7
184.08853	1.1
187.07498	1.2
189.09096	37.2
190.09470	0.7
191.08530	1.5
192.09355	2.4
193.06429	6.5
193.10130	8.6
194.07204	3.7
195.08040	25.6
196.05161	0.8
196.08736	1.7
197.05859	5.3
197.09589	2.2
198.06737	0.8
199.07599	1.2
199.51648	0.7
202.07802	1.8
203.08539	3.6
205.06537	1.6
206.07249	2.6
207.08035	2.1
207.10147	6.5
209.05951	2.9
209.09586	3.8
210.06731	8.9
210.10442	0.6
210.84509	0.6
211.07520	4.3
212.08304	3.7
213.09071	1.4
219.08020	1.0
220.08817	2.3
221.05965	11.0
221.09558	13.0
222.06642	1.4
222.10176	0.7
223.07523	12.3
223.10846	0.7
224.08267	5.0
225.05469	2.1
225.09055	10.7
226.06192	0.8
226.09586	1.0
227.07051	2.8
227.10645	28.5
228.10999	0.8
231.08226	0.8
234.06743	1.6
235.07603	1.4
237.05437	1.7
237.09082	2.6
238.06212	6.3
238.09946	2.3
239.07028	2.7
239.10703	2.1
240.07770	2.9
241.08606	2.4
241.12280	2.0
249.09067	6.5
250.09877	0.8
251.06982	1.5
252.07787	2.6
252.99631	1.1
253.08588	15.3
253.12236	16.6
254.05673	0.8
254.09230	1.6
255.06467	2.1
255.10159	27.5
256.10764	0.8
257.08160	0.9
263.10651	0.9
265.08502	0.9
266.09357	1.7
267.10135	6.3
269.08087	5.4
269.11679	2.9
270.08844	3.0
271.07068	2.0
272.10492	2.5
281.11700	8.3
284.10428	2.0
285.08530	1.3
285.11203	21.4
286.11584	0.9
287.12759	57.9
288.12924	1.6
298.11960	1.0
299.09406	0.9
299.12808	1.9
301.14386	2.7
313.08572	4.1
313.14349	18.4
313.17984	1.1
331.08871	2.2
331.11749	2.4
331.15295	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.02380	1.1
54.43878	0.7
55.01865	1.4
55.05492	1.2
57.07053	0.7
64.36860	0.7
65.03938	1.8
65.24462	0.7
66.80595	0.7
67.05476	1.2
68.41791	0.9
69.03418	1.7
69.07075	0.9
70.85859	2.5
76.03622	0.7
79.05489	3.2
81.03410	4.7
81.07054	1.9
83.04960	1.3
85.02896	1.2
91.05472	28.6
93.07070	1.2
94.04186	2.8
95.04957	6.0
95.08650	0.8
97.02892	4.7
98.09690	1.7
98.98460	34.2
100.19786	0.7
103.05449	4.7
105.07014	4.4
106.05507	0.8
106.13587	0.9
107.04953	8.4
107.08610	1.5
109.02874	2.9
109.06524	5.0
109.10196	1.2
111.04478	1.4
115.05450	2.8
116.99483	1.2
117.07004	2.2
118.04097	0.8
119.04945	18.4
121.06483	6.6
122.03646	7.3
123.04458	1.1
123.08054	1.3
127.03912	1.8
128.06203	3.7
129.06996	12.3
131.04930	6.5
133.06480	2.3
134.03635	0.8
135.08028	5.6
136.05194	3.4
137.05966	83.7
143.04950	1.8
145.06482	3.2
146.03650	1.1
146.07294	1.4
147.04340	1.1
147.08046	1.8
147.09154	1.6
148.05244	1.6
149.05968	12.1
150.06755	1.3
151.04036	4.1
151.07530	100.0
152.06218	2.8
152.07860	1.5
152.69829	0.8
153.05400	1.5
153.07033	1.4
154.07748	0.9
156.05579	0.8
157.06477	12.8
158.07257	2.0
159.04416	1.0
161.05975	15.6
161.07231	1.3
161.09583	3.7
162.06697	1.4
163.07526	21.0
165.06979	12.0
165.09064	5.4
166.07840	2.1
167.07095	2.0
167.08525	15.4
168.05537	0.9
169.06506	2.7
174.06764	7.0
174.99190	1.5
175.07468	4.6
175.08813	0.8
176.08231	1.0
176.98941	3.2
177.06985	2.3
177.09146	2.8
178.07784	5.3
179.08536	2.3
181.06509	4.9
181.10089	1.4
182.07320	4.0
183.08076	1.8
184.08800	0.9
187.07538	1.9
189.07352	1.8
189.09087	33.8
191.08498	1.4
192.09349	2.6
193.06537	7.5
193.08435	1.9
193.10107	8.4
194.07253	2.4
195.08054	26.0
196.08731	2.1
197.05956	4.4
197.09613	2.5
199.07605	1.1
203.08519	2.8
205.06488	1.9
206.07243	1.7
207.08073	2.8
207.10176	6.1
209.05998	2.4
209.09651	3.3
210.06720	9.6
211.07477	4.5
212.08289	4.6
213.09128	1.0
215.04581	1.0
219.07973	2.0
220.08737	1.5
221.06020	9.4
221.09554	12.2
222.06630	1.1
223.07515	13.1
223.40768	0.9
224.08264	5.2
225.05487	2.1
225.09059	10.4
227.07028	2.8
227.10643	29.2
227.12921	1.5
228.11000	0.9
231.07942	0.9
234.06610	1.0
237.05501	1.4
237.09042	3.4
238.06288	6.1
238.09920	2.1
239.07095	2.6
239.10583	1.3
240.07846	3.4
241.08688	1.7
241.12236	1.2
242.09467	0.8
249.09076	7.1
251.06990	1.0
252.07919	1.9
252.11404	0.8
253.08601	18.4
253.12242	16.2
254.09352	0.9
255.10146	30.0
256.10757	1.0
266.09390	1.4
267.10233	7.4
269.08090	5.3
269.11652	1.8
270.08807	2.5
272.10419	5.0
281.11636	7.5
284.10306	2.0
285.11194	20.8
287.12750	55.6
298.11951	1.2
299.12747	1.3
301.14352	2.5
313.14355	16.9
331.04407	1.2
331.08240	1.8
331.12085	5.7
331.15118	7.9
331.29361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05493	2.9
56.96534	1.6
60.42262	1.3
65.03928	1.6
67.05491	2.1
67.49162	1.2
69.07047	5.8
69.84858	1.2
70.26449	5.0
70.26781	1.2
79.05476	3.8
81.07026	4.4
91.05470	24.4
94.04172	2.5
95.04952	8.6
95.08605	1.7
97.59960	1.2
98.21403	1.8
98.98457	49.3
103.05441	4.1
105.07014	5.7
107.04928	7.6
107.08575	2.7
109.06501	4.2
109.10136	1.9
111.04457	1.5
115.05464	1.2
116.99481	2.3
117.07003	2.2
119.04926	16.0
119.08626	1.2
121.06512	8.8
121.10104	1.9
122.03621	7.2
123.04403	10.1
128.06198	4.0
129.07004	14.8
131.04903	6.4
131.08551	1.7
133.06432	2.2
135.08029	5.1
136.05173	2.4
137.05960	79.3
138.03073	1.5
139.03873	2.6
141.06972	3.1
143.04918	1.7
143.08459	1.7
145.06483	4.3
147.04459	1.7
149.05948	14.0
151.03931	3.1
151.07524	100.0
152.06175	3.8
153.05467	5.9
153.06886	1.9
155.08487	1.4
157.06476	10.0
159.08064	1.4
161.05942	14.3
161.09583	4.8
162.06763	1.4
163.03821	2.8
163.07518	20.0
165.06953	10.7
165.09085	5.7
166.07761	2.6
167.07138	2.2
167.08505	16.1
169.06482	5.1
174.06743	5.9
174.99257	2.9
175.07478	3.6
176.98900	5.8
177.09061	2.2
178.07770	4.8
179.08479	2.6
181.06467	4.5
181.10002	1.9
182.07237	3.5
183.08020	2.8
184.05147	1.8
184.08800	1.9
185.05981	1.6
187.07539	2.4
189.09074	37.3
192.09299	1.9
193.06464	6.3
193.08305	1.4
193.10109	5.7
194.07202	2.7
195.08028	23.7
196.05235	1.7
196.08618	1.6
197.05916	7.1
197.09515	2.3
200.04788	1.9
203.08594	3.0
206.07220	1.8
207.10152	5.9
209.05910	3.7
209.09599	3.8
210.06790	9.0
210.10402	1.5
211.07491	5.7
212.08319	4.9
213.05331	2.2
215.07001	3.9
219.08012	1.8
220.08809	1.7
221.06003	7.9
221.09537	12.7
223.07541	10.9
224.08257	3.3
225.05487	4.8
225.09058	12.3
226.06067	1.4
227.06985	4.8
227.10638	27.1
228.04213	6.1
228.07693	1.8
237.05463	2.4
237.09062	2.4
238.06250	4.1
238.09929	2.0
239.06961	3.6
239.10747	1.5
240.07748	2.3
241.04971	2.0
241.08603	2.2
243.06578	5.2
249.02814	2.4
249.09059	6.6
252.99789	1.5
253.04788	1.7
253.08592	15.5
253.12233	16.7
254.09044	2.3
255.06461	3.4
255.10138	32.3
256.03711	3.2
257.04443	1.4
257.08252	1.7
267.10046	6.1
269.08133	4.0
269.11685	3.5
270.05167	3.4
270.08395	1.6
271.05972	19.1
271.08960	2.1
272.06580	3.0
272.10437	4.4
273.03891	4.6
275.09018	4.4
281.04599	1.4
281.08673	1.5
281.11761	7.9
285.11188	20.5
287.12744	58.5
288.06253	2.8
288.13116	2.2
298.11954	2.2
299.05399	6.9
303.08554	3.8
313.14301	15.3
316.05728	3.3
331.08035	50.2
331.11703	27.7
331.15375	10.2
332.08261	3.6
332.12076	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.22828	1.5
55.01854	3.8
55.05494	1.9
56.71058	1.8
67.05495	2.4
68.89902	1.8
69.03420	2.2
69.53598	16.2
72.55142	1.8
79.05486	6.3
81.07024	2.9
85.02937	1.8
91.05471	37.9
91.27568	1.8
93.07021	5.4
94.04184	3.7
95.04955	8.7
98.98457	83.7
103.05441	11.9
105.07027	10.6
107.04276	2.6
107.04951	31.0
109.06488	4.6
109.10151	2.0
111.04402	2.2
115.05443	2.8
116.99435	2.4
117.06979	2.9
119.04931	20.8
121.06495	16.1
122.03642	9.0
123.04426	14.9
127.03937	2.3
128.06201	5.1
129.06989	19.6
131.04926	11.6
131.08531	2.2
133.02831	2.3
133.06476	8.4
135.08032	10.9
135.11655	2.1
136.05214	4.1
137.05966	100.0
145.06445	3.7
146.03690	3.1
146.07207	3.8
147.04382	2.3
147.08070	2.7
148.05199	3.0
149.05981	20.8
150.06726	4.8
151.03938	4.4
151.07530	89.7
152.06218	3.7
157.06488	13.9
161.05971	76.5
161.09579	19.6
163.07529	46.2
165.06956	9.1
165.09097	4.6
167.08562	14.6
169.06459	2.3
174.06778	9.3
174.99164	4.5
175.07541	5.3
176.98900	5.8
177.07051	2.0
178.07703	6.3
181.05048	2.5
181.06482	6.4
181.08551	7.0
181.09984	2.4
182.07268	4.6
189.07350	3.3
189.09102	58.8
190.05075	2.6
192.09381	2.2
193.06458	8.5
193.10092	8.6
194.07265	2.8
195.08051	26.9
197.05956	5.9
197.09708	2.6
206.07350	2.3
207.08217	3.8
207.10133	40.3
210.06792	11.0
211.07483	4.6
212.08279	6.0
221.05980	7.6
221.09647	10.5
223.07497	11.5
224.08359	3.5
225.05490	2.3
225.09061	12.9
227.07147	3.3
227.10649	28.1
238.06143	6.9
238.09869	2.8
239.06982	2.6
240.07748	2.2
249.09161	5.2
252.07877	3.3
253.08652	12.8
253.12144	15.1
255.07274	2.8
255.10147	28.3
257.08060	2.4
267.10199	6.5
269.07941	4.8
269.11365	2.0
270.08713	2.4
272.10492	4.1
281.11728	6.6
285.11200	22.6
287.12753	53.4
301.13892	2.7
313.10870	2.7
313.14249	21.4
331.07373	4.9
331.11780	6.7
331.15381	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	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.39273	1.2
55.01862	2.3
55.05511	2.3
57.03418	1.3
60.25957	1.0
62.51072	1.0
65.03957	1.4
65.54935	1.1
67.05496	1.6
69.03431	2.4
69.07074	1.5
69.63895	2.6
69.64291	8.7
71.04961	1.3
76.42510	1.2
79.05480	6.0
81.03394	1.3
81.07052	5.3
83.04961	2.7
85.02915	1.5
91.05479	32.4
93.07041	3.9
94.04197	2.7
95.04967	10.4
95.08614	3.9
98.09699	4.2
98.98465	51.2
99.98973	1.1
100.11239	1.8
103.05457	6.0
105.07053	5.4
107.04952	8.8
107.08568	1.8
109.06513	6.8
109.10170	2.2
110.97569	1.1
111.04446	1.8
111.34380	1.4
115.05429	1.7
116.98634	1.4
116.99489	2.5
117.06994	2.7
119.04940	21.5
121.06510	10.1
121.10114	1.5
122.03664	8.3
122.94071	1.1
123.04406	3.5
123.08092	1.5
123.11716	1.3
127.03884	1.4
128.06223	4.6
129.07007	20.2
131.04950	5.5
131.08553	2.4
133.02872	1.8
133.06506	3.8
133.10228	1.2
134.03674	1.7
135.04427	1.8
135.08038	6.3
136.05208	3.2
137.05972	100.0
141.06978	3.1
143.04936	1.8
145.06502	5.4
146.03627	2.0
146.07304	2.0
147.04440	1.8
147.08078	2.2
148.05194	2.3
149.05975	15.1
151.03911	3.6
151.07539	91.3
152.06223	5.6
153.05510	2.9
153.07007	3.4
154.06253	1.7
154.07758	1.5
157.06491	13.4
160.05170	1.4
161.05972	21.1
161.09624	5.2
162.06790	1.7
163.03951	2.1
163.07547	22.1
165.07007	15.2
165.09128	4.5
166.07777	3.4
167.07053	3.4
167.08528	18.4
168.05647	1.7
169.06468	3.9
173.06059	1.1
174.06830	7.2
174.99236	2.1
175.07538	7.1
176.98921	4.9
177.05470	2.1
177.06891	2.7
177.09172	4.0
178.07739	6.0
179.08562	3.5
181.06464	7.5
182.07285	6.8
183.08064	5.2
184.08810	1.1
187.07516	1.7
189.09097	31.0
191.08611	2.5
192.09354	3.2
193.06476	8.4
193.10085	7.1
194.07266	3.5
194.15559	1.1
195.02975	2.8
195.08057	26.7
196.05312	2.8
196.08917	1.6
197.05890	6.8
197.09673	2.9
198.06805	1.8
199.07550	2.2
202.07785	2.4
203.08612	2.8
205.06458	1.9
206.07327	3.1
207.08226	1.9
207.10222	4.9
209.05905	4.0
209.09633	4.2
210.06764	12.3
211.07523	9.5
212.08315	7.3
213.05481	1.5
213.09021	1.7
214.06265	1.7
219.08005	2.4
220.08759	2.6
221.05945	11.9
221.09560	10.3
222.10284	1.4
223.07486	12.4
224.08319	5.6
225.05463	2.3
225.09077	13.3
227.07010	3.8
227.10640	29.4
228.07841	2.0
229.08676	1.3
234.06717	1.6
237.09122	3.7
238.06250	8.2
238.09842	2.5
239.07001	5.3
240.07793	5.1
241.04878	1.4
241.08577	3.8
241.12210	3.1
243.10103	1.3
249.09129	5.5
252.07803	2.6
253.08612	18.5
253.12257	17.5
255.06480	5.1
255.10139	28.9
256.07144	2.3
257.08044	1.8
266.09158	1.6
267.10101	6.9
267.17578	1.8
269.08151	6.3
269.11697	2.7
270.08722	4.6
271.06546	1.4
271.09708	3.5
272.10449	5.1
281.11652	6.9
284.10297	1.7
285.08145	2.1
285.11230	24.2
287.12759	51.8
299.09070	2.5
301.14404	3.3
313.08197	2.9
313.14304	16.4
313.17630	1.9
315.04932	1.8
316.09015	3.9
331.08304	5.2
331.11737	27.8
331.15448	13.2
331.29416	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03932	1.4
55.01868	1.6
55.05508	1.2
57.03432	1.2
57.07087	1.0
63.15980	1.0
65.03922	1.6
67.05500	1.3
69.03402	1.5
69.07063	1.2
69.38387	1.0
69.51039	8.0
77.52326	0.9
79.05473	4.3
81.03395	4.2
81.07050	3.9
85.02916	1.6
91.05466	26.2
93.07050	2.9
94.04179	2.3
95.04974	5.8
95.05457	1.0
95.08620	1.4
97.02867	7.9
98.20738	2.2
98.98455	60.8
103.05453	4.4
105.07014	5.7
107.04956	8.2
109.02855	7.2
109.06519	4.6
109.10148	1.7
115.05431	2.2
116.99482	3.2
117.06998	2.9
119.04927	15.7
121.06485	6.5
122.03632	7.9
123.04395	2.4
123.11728	1.2
127.03886	3.2
128.06212	3.2
129.07001	14.1
129.08661	1.0
131.04910	5.4
131.08513	1.3
131.59904	1.0
133.06462	2.9
135.08009	4.3
136.05196	3.4
137.05960	85.7
138.06300	1.6
143.04898	1.4
145.06439	4.8
147.04329	1.8
147.08043	1.4
149.05948	15.2
150.09122	1.7
151.03902	4.4
151.07527	100.0
152.06221	3.2
152.07867	2.4
153.05458	2.2
153.06949	1.8
154.07620	1.0
157.06450	11.7
161.05957	15.0
161.09570	4.1
162.06673	1.5
163.07523	19.3
165.05550	1.9
165.06976	13.2
165.09091	4.5
166.07674	2.9
167.07185	2.1
167.08528	15.7
169.06506	4.1
174.06731	6.7
174.99208	2.4
175.07513	4.0
176.98970	5.1
177.06918	2.3
177.09090	4.1
178.07753	6.3
179.08488	1.3
181.06476	5.0
181.10059	1.2
182.07320	5.4
183.07974	1.6
184.08801	1.7
185.16615	1.1
187.07527	1.6
189.09087	33.5
191.07036	1.3
191.08620	1.7
192.09280	1.4
193.06406	9.3
193.10107	7.1
194.07227	2.4
195.08031	24.1
196.08658	2.6
197.05991	6.8
197.09515	1.4
199.07410	1.3
202.07718	1.8
203.08583	3.4
205.06378	1.3
206.07260	1.7
207.08244	1.9
207.10143	5.6
209.05914	3.6
209.09659	3.3
210.06714	8.0
211.07576	5.7
212.08345	5.6
213.03879	1.2
213.08931	2.0
219.08122	1.3
220.08835	1.8
221.06007	9.5
221.09572	11.8
222.06747	1.4
223.07504	12.1
224.08313	4.4
225.05499	1.8
225.09059	12.7
227.07014	4.1
227.10663	25.7
231.08035	1.4
234.06712	1.3
237.05505	1.8
237.09070	2.8
238.06126	5.1
239.06964	4.4
239.10640	1.5
240.07811	3.2
241.12224	1.3
249.09015	7.1
251.07011	1.1
252.07672	1.7
252.99826	1.4
253.08571	15.3
253.12201	17.4
254.09251	2.4
255.06329	2.4
255.10133	28.9
256.10446	1.5
259.13272	1.6
263.10892	1.1
266.09222	1.7
267.10199	6.9
269.08078	5.5
269.11655	2.4
270.08893	1.4
271.09747	1.4
272.10397	3.0
281.11642	6.4
285.11203	21.8
287.12747	54.4
288.12985	2.5
301.14120	1.9
311.09698	1.7
313.10892	1.6
313.14307	16.4
331.04596	1.2
331.08060	2.1
331.11920	7.0
331.15295	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	331.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01841	0.5
55.05491	0.9
56.96550	0.6
57.03415	0.3
63.20343	0.3
65.03917	0.9
67.05507	3.0
68.05001	1.1
69.03404	1.3
69.07058	6.3
70.06577	0.4
70.93719	0.7
71.04959	0.5
73.02887	0.5
76.28654	0.4
79.05458	1.2
80.04984	1.3
81.07062	2.8
83.04942	0.8
84.08123	0.7
85.02887	1.6
85.06504	0.5
89.03874	0.5
91.05453	1.5
91.15576	0.3
93.05754	0.8
93.07018	1.0
94.06560	16.8
95.04955	2.5
95.08600	0.6
96.04472	0.6
97.02858	0.6
97.06497	1.0
98.06035	0.7
98.98456	29.1
99.08065	1.1
105.07014	0.8
105.67635	0.4
106.06516	0.6
107.04942	5.2
107.08565	0.7
108.08086	1.6
109.02878	0.4
109.10192	0.5
110.06030	4.0
112.07608	2.7
116.04958	2.9
116.98698	0.6
116.99489	1.2
118.06522	1.2
120.04458	0.6
121.06521	0.6
121.10186	0.3
122.06020	33.7
123.04418	1.9
123.08028	0.4
123.11687	1.0
127.03860	0.7
130.06509	0.5
133.05203	0.4
133.10091	0.9
134.06015	1.7
135.04381	1.1
136.07495	0.4
137.05934	1.0
140.07053	46.1
141.07864	3.3
142.08597	1.5
144.04424	7.8
145.04964	0.5
146.05997	23.1
147.06750	0.8
148.07564	8.3
149.05995	0.6
151.07449	0.5
151.11182	1.7
152.07089	0.4
153.05431	2.2
154.08641	0.8
157.07599	0.4
161.02992	0.4
161.06038	0.4
162.05473	4.1
163.03831	0.4
164.07007	0.4
172.03925	26.6
173.04262	0.6
174.05505	1.7
174.99214	1.5
176.98915	3.1
177.05411	0.6
190.04973	100.0
191.05356	2.4
192.06525	10.9
240.10100	0.5
242.11650	0.6
268.09680	0.4
271.09723	0.5
285.08170	0.4
286.10712	2.1
287.13596	0.4
311.09589	0.4
313.11832	4.4
331.12894	13.1
332.13312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05504	0.5
65.03929	0.5
67.05507	2.6
68.05011	1.2
69.07065	5.4
69.72719	2.9
70.06564	0.4
75.78694	0.5
79.05476	0.9
80.05010	1.1
84.08139	0.8
85.02891	0.6
89.03870	0.4
91.05461	0.6
93.05790	0.6
94.06561	16.9
95.04977	2.5
96.71434	0.3
97.06520	0.5
98.98457	6.1
108.08105	1.6
110.06021	4.0
112.07620	2.1
116.04999	2.5
116.05665	0.4
118.06545	1.1
120.08106	0.5
122.06023	32.7
123.04413	1.4
123.06368	0.5
124.07635	0.6
136.07527	0.4
140.07057	46.1
141.07881	1.9
142.08653	0.4
144.04437	7.1
146.06003	21.3
147.06563	0.5
148.03926	0.6
148.07568	7.5
154.08685	0.5
162.05499	4.1
172.03922	25.1
173.04376	0.5
174.05455	2.0
176.98926	0.5
190.04982	100.0
191.05409	2.6
192.06537	10.0
243.07913	0.4
286.10739	1.4
313.11783	3.4
331.12863	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
51.54507	0.7
55.01866	1.6
55.05507	0.9
56.96553	2.0
60.04515	1.0
65.03925	1.2
66.92204	0.8
67.05476	1.5
68.99779	1.7
69.07055	2.3
70.95456	2.4
73.02905	1.1
79.05495	6.5
81.07039	3.7
83.04991	1.0
85.02915	0.8
91.05471	4.5
93.07025	1.6
95.04955	2.5
95.08580	2.0
97.06514	0.8
98.98462	100.0
100.98871	1.5
103.05442	1.1
105.07016	2.1
107.04951	12.2
107.08562	2.0
108.05257	0.8
109.06517	1.2
109.10108	1.3
113.05982	0.8
113.63324	0.8
115.05456	0.9
116.98761	0.8
116.99471	4.9
117.03375	1.1
119.04929	1.3
119.08540	1.0
121.02830	0.9
121.06476	1.7
121.10197	1.2
123.04420	1.2
123.08024	0.9
123.11663	1.0
124.05214	7.8
125.05990	1.8
127.03909	1.8
129.07027	1.2
131.04951	1.9
131.08604	1.1
133.10100	1.4
135.08064	0.9
137.06024	4.1
137.58650	0.8
139.07536	10.1
140.01041	1.6
141.06927	1.1
145.02858	1.0
145.10158	1.2
147.04422	4.2
147.11620	0.9
149.02258	1.0
149.05981	2.2
151.03871	2.3
151.07539	2.6
152.04643	4.1
152.06049	1.0
153.05463	4.7
153.06935	2.1
155.08545	0.9
157.06464	1.6
159.11639	1.1
160.05057	0.8
161.05923	1.1
162.03084	2.9
163.03905	0.8
164.04688	0.9
165.05573	1.0
165.06982	3.6
167.07045	22.5
168.05716	3.2
169.06535	1.6
174.99196	5.5
175.07544	0.9
176.04636	1.2
176.98923	9.2
177.05444	10.3
179.07050	1.4
181.04918	5.0
181.06404	1.8
182.07172	1.7
183.08022	3.4
185.05978	2.7
191.07013	4.1
193.06375	1.0
196.05211	4.1
197.05957	3.1
199.07547	2.5
200.04585	1.0
201.08905	1.0
207.06505	2.4
208.78223	0.9
209.05881	1.5
210.06694	2.3
211.07545	6.8
212.08405	0.9
213.05389	3.5
214.06006	0.8
216.07843	0.9
217.08577	0.9
221.06032	1.0
224.02686	0.9
224.04655	3.7
225.05510	1.4
227.06940	1.9
228.07646	2.0
231.10077	0.9
237.05528	1.3
238.06195	3.6
239.07059	16.9
240.07573	1.2
241.04913	5.7
242.05522	0.9
243.06439	1.1
243.10103	2.1
244.07471	1.1
251.03107	0.9
252.04208	1.1
252.99648	2.4
253.04810	1.1
253.08475	1.4
254.99518	1.8
255.06352	2.3
256.07233	7.7
257.08023	2.2
266.05914	1.4
267.06528	7.5
268.07178	2.2
269.04428	2.3
269.07565	0.9
270.05188	1.6
271.09683	9.1
283.05899	1.8
284.06781	11.8
285.07465	3.8
286.04593	0.9
288.09680	1.0
298.07590	1.2
299.09134	58.3
300.06314	1.3
300.09576	6.0
301.06955	4.8
303.12271	2.4
316.08899	5.8
330.10480	0.9
331.11627	49.5
331.22772	2.6
331.26526	1.9
332.11734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1173
Annotation	Balantiolide
Peak:m/z	Relative Intensity
53.03927	1.2
56.24235	0.7
56.96539	1.1
57.07060	1.0
57.85284	0.7
62.17057	0.8
67.05490	1.8
68.21887	0.8
69.07054	1.3
69.90724	4.5
71.80927	0.8
75.76435	0.9
79.05489	5.1
81.07029	2.3
88.28829	0.9
91.05473	11.5
93.07051	1.4
95.04939	3.1
95.08589	0.9
98.98459	98.1
100.48566	0.8
100.98882	2.6
106.04160	0.8
107.04940	8.1
108.05673	0.9
109.06516	5.1
116.99469	3.8
121.06495	35.1
123.04424	2.0
123.08018	1.1
124.05231	5.3
127.03900	1.0
136.05148	1.0
137.05965	16.3
139.07524	20.3
140.01068	2.0
149.02303	0.9
149.07071	1.1
151.07532	100.0
152.04646	5.1
152.07864	2.1
164.04652	0.8
167.07040	20.7
174.99278	5.3
176.98892	9.6
181.04883	1.0
185.06001	1.3
187.45387	1.0
200.18507	0.8
207.06406	0.9
213.05551	1.2
227.07135	1.5
239.07085	1.2
241.04909	1.0
242.05742	1.4
245.07980	2.7
249.59283	0.9
252.99641	0.9
257.08078	5.5
258.05142	1.3
271.05948	1.4
273.07446	3.0
285.07385	1.6
286.04636	3.2
287.09006	1.3
287.12723	0.9
288.09668	1.7
298.08047	1.0
299.09189	1.0
300.09924	1.5
301.07169	5.8
301.09979	1.5
303.12228	57.9
304.12708	2.3
316.09274	5.6
331.11682	65.1
331.29959	1.3
331.33832	1.5
332.06577	1.5
332.11905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Iristectorigenin
Peak:m/z	Relative Intensity
61.47198	0.5
62.70540	0.4
65.03951	0.6
67.05495	0.6
69.03419	0.7
69.07037	0.4
71.04987	0.5
71.59699	0.6
75.04494	0.4
79.05491	0.7
81.07054	1.2
83.04979	0.6
84.47581	0.5
84.48122	0.4
85.02915	0.7
86.09693	1.0
87.10049	0.4
91.05473	1.6
91.30480	0.4
93.07027	0.7
95.04999	1.1
95.08604	0.7
97.02869	0.5
98.98460	28.4
100.98879	0.5
105.06976	0.6
107.04948	1.4
107.08575	0.5
109.02854	0.8
109.10137	0.9
111.04479	0.5
115.05526	0.5
116.99535	0.9
119.04856	0.6
119.08595	0.5
121.02828	0.5
121.06526	1.0
123.04416	17.6
125.05981	0.8
127.03896	0.5
128.06201	0.6
129.06999	1.1
131.04950	0.7
137.05980	4.1
138.03125	1.8
139.03888	2.8
140.04681	0.6
140.07126	1.0
141.06976	1.2
145.00078	0.4
145.06532	0.7
149.02354	1.0
149.05965	1.0
150.03104	0.7
151.03886	0.6
151.07541	2.4
152.06216	0.7
153.05455	12.8
153.06757	0.8
154.06235	1.8
157.06511	0.9
158.03607	1.1
161.05916	0.6
161.64938	0.6
163.03900	0.5
165.06969	1.5
167.07037	1.4
169.06421	2.2
172.03860	0.8
173.05939	1.0
174.99266	1.5
175.07495	0.6
176.98926	3.3
177.01820	1.3
177.09096	1.2
181.06375	0.9
181.08647	0.7
182.07317	0.6
183.04370	0.7
183.08040	0.9
184.05148	0.5
185.05980	0.7
187.07539	0.7
189.05391	0.9
189.09061	1.0
190.04997	3.1
191.03424	1.4
193.04990	0.6
195.08101	0.6
195.30740	0.5
196.05228	0.8
196.46217	0.4
197.06007	3.2
198.06758	0.7
199.03798	0.6
199.07474	0.7
200.04671	5.2
201.05432	1.2
207.11603	0.5
208.05188	0.5
209.05817	0.7
210.06688	0.9
211.07524	1.1
212.04723	1.4
213.05490	3.2
213.08958	0.7
214.06271	1.7
215.07014	4.3
216.04176	1.1
217.04945	1.5
221.06055	0.6
223.07536	0.6
225.05492	1.6
225.09091	0.8
226.06381	0.7
227.03419	0.9
227.07094	2.7
228.04167	10.2
229.04990	1.2
230.05685	0.5
231.02881	0.7
238.06163	0.5
239.07152	0.8
240.04083	1.3
241.04904	1.5
241.08627	0.5
242.05632	2.6
243.06505	7.8
244.03822	0.5
245.04492	1.5
252.99670	0.7
253.05019	1.7
253.08516	1.0
255.02861	1.5
255.06523	1.6
255.10226	0.8
256.03650	4.0
256.07385	0.7
257.04346	1.2
258.05081	0.6
259.06186	0.6
270.05219	5.1
271.05994	31.6
272.06616	1.7
273.03922	4.9
273.06903	0.7
275.09131	9.5
281.04425	1.4
283.02393	0.9
284.03189	0.8
285.07690	1.5
285.11151	0.9
287.05618	0.5
287.12671	1.1
288.06287	3.6
298.04803	2.4
299.05545	8.6
299.08990	1.1
299.12433	0.7
300.06216	0.7
301.03378	2.0
303.08624	5.1
313.07678	0.6
313.10980	0.9
315.05063	1.4
316.05783	7.5
316.09152	1.1
331.08118	100.0
331.11734	11.2
332.08456	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1173
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
53.03928	1.1
55.05502	2.6
56.96557	2.7
58.06588	1.1
62.39312	1.0
65.03934	1.5
67.05477	2.7
69.03410	4.0
69.07048	2.4
71.62930	0.9
71.63438	1.7
73.02905	1.2
79.05480	5.3
81.03390	1.6
81.07039	4.4
83.04950	2.7
85.02879	2.7
87.04388	1.2
88.24154	0.9
91.05469	12.3
93.07037	6.7
95.04962	5.3
95.08581	4.3
97.02860	1.7
97.06511	1.4
98.98460	100.0
99.04450	1.9
100.98854	1.8
103.05460	3.6
105.07029	7.7
106.04171	1.5
107.04943	11.9
107.08575	4.8
109.02850	1.1
109.06516	4.7
109.10129	1.8
110.03629	1.2
111.04435	2.4
111.08089	1.8
115.05440	2.2
116.98659	1.6
116.99478	5.6
117.06994	2.5
118.04111	1.8
119.04936	6.5
119.08539	3.6
120.04470	0.9
120.05743	1.4
121.02850	1.4
121.05645	2.0
121.06499	35.0
121.07362	2.1
121.10158	2.0
122.03677	1.5
123.04414	12.2
123.08092	1.7
123.11726	1.0
124.05193	2.1
125.05968	3.8
125.09618	1.4
127.03909	2.6
127.07551	1.4
129.06979	2.8
131.04903	1.6
131.08534	1.8
133.02858	2.7
133.06480	14.2
133.10109	3.8
134.03627	2.0
135.04439	5.3
135.05376	1.4
135.08040	1.9
135.11684	1.0
136.05145	2.0
137.05971	41.4
139.03821	1.0
139.07512	1.8
140.01001	1.6
141.06996	1.4
143.08458	1.4
145.06470	1.5
145.10095	3.4
147.04388	3.9
148.05141	3.3
149.02345	1.1
149.05957	14.3
149.09653	1.3
150.06662	2.5
151.03928	6.7
151.07535	8.5
152.06157	2.6
153.05440	5.4
153.06949	3.5
153.09099	2.5
155.08476	2.4
157.06493	3.3
157.10071	2.0
159.08049	2.3
159.11688	3.5
161.05959	6.0
161.09572	3.8
163.07544	2.6
165.05626	1.6
165.06943	6.9
167.07014	6.8
167.08438	2.4
168.05745	5.8
168.09378	1.3
169.06439	2.6
170.07224	1.2
171.08029	2.3
174.06741	2.4
174.99184	5.4
175.07564	2.0
176.04663	1.3
176.98920	11.9
177.05452	11.2
177.09070	1.9
179.07083	7.5
179.10678	1.4
181.06514	4.9
181.08583	5.0
182.07211	3.0
183.08031	7.7
183.11662	1.7
185.05969	5.0
187.07553	1.6
187.11052	1.3
189.09120	2.2
191.07037	1.3
192.07777	2.2
193.06689	2.0
193.08549	10.0
195.07993	3.2
196.05214	3.0
197.05927	6.0
197.09503	1.8
197.13318	1.1
198.06671	3.2
199.07512	3.6
200.08321	5.4
201.09019	1.8
201.12628	1.7
207.06531	2.1
207.10078	2.5
209.05835	2.2
210.06752	4.6
211.07549	19.8
212.08302	6.1
213.05496	7.8
213.09103	1.9
214.06084	2.1
215.06880	1.3
215.10663	2.7
221.05971	1.5
223.07463	2.1
224.08113	1.1
225.05423	1.2
225.09085	4.4
227.07018	6.3
227.10764	1.4
228.04140	1.0
228.07809	9.7
229.08525	4.0
229.12247	1.2
230.05659	2.1
236.55228	1.3
237.05469	1.8
238.06165	2.9
239.07021	8.1
240.07901	5.0
241.04886	4.1
241.08647	2.3
242.05649	2.6
243.06419	1.3
243.10168	23.8
244.10555	1.4
245.08026	3.4
252.99672	1.7
253.08614	4.7
255.06535	3.7
256.07312	7.8
257.08130	3.0
269.07980	1.4
270.04965	1.3
270.08636	2.0
271.06027	2.8
271.09616	18.3
272.10400	7.2
273.07593	2.1
275.08954	1.1
281.08008	2.9
283.06030	1.4
285.11197	1.9
285.18466	3.5
287.12509	1.6
288.09821	5.8
295.16837	2.9
298.04813	2.3
298.08243	1.8
299.09064	5.7
300.09888	1.1
301.03583	6.0
302.11404	1.7
303.12256	52.1
304.12634	2.7
313.10748	6.3
313.14243	1.5
313.17773	5.1
316.05768	2.0
316.09128	2.5
330.61539	1.2
331.08057	17.2
331.11725	72.2
331.18964	6.1
331.22525	3.1
332.08331	1.7
332.11920	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92960	0.3
54.03451	0.7
56.96547	1.4
57.03435	2.6
61.02905	1.2
68.06367	0.4
69.03426	2.9
70.01495	1.8
70.01908	0.8
71.04982	0.4
73.02921	6.1
73.74854	0.3
79.05492	0.8
81.03411	0.7
81.07037	0.7
82.05305	0.5
83.04976	0.8
83.06099	3.1
84.06856	0.7
84.08134	0.6
84.96035	0.4
85.02901	6.3
87.04446	0.6
88.03983	0.7
94.06564	0.4
95.06097	2.1
96.08102	0.6
97.02896	3.7
98.20890	0.4
98.97596	1.9
98.98464	11.9
105.06992	0.4
108.06927	0.4
108.08126	0.5
109.07630	1.1
112.07594	0.8
113.02354	0.4
113.07133	7.3
115.03920	2.9
116.98599	1.3
116.99453	0.7
120.08097	1.7
122.09634	0.9
124.07576	4.5
127.03923	2.6
133.04968	0.9
136.06194	0.9
137.10739	32.9
139.12300	19.2
145.04951	1.8
146.99594	0.5
147.09151	1.2
148.07547	1.1
150.05508	2.5
155.11790	0.9
158.99677	0.8
159.03177	0.4
163.05992	1.5
165.10240	23.7
168.05347	0.5
168.06543	2.3
174.99188	0.9
176.98915	1.5
177.00703	1.4
177.05635	0.5
182.12874	0.8
183.11287	100.0
184.11626	1.6
192.06505	0.6
205.05522	1.8
214.05981	1.8
219.01826	0.5
223.04260	0.6
237.02690	1.1
252.99731	0.5
259.08255	0.5
265.09506	0.4
295.10544	0.4
312.15640	0.5
319.79144	0.5
330.12753	1.2
330.16605	32.3
331.10345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03437	38.6
59.04987	2.3
61.02925	15.8
69.03427	30.6
71.01334	4.3
71.50919	2.6
73.02915	100.0
81.03392	1.6
85.02904	69.0
87.04477	3.4
91.03942	4.6
97.02894	49.5
98.98494	8.1
99.04476	1.6
107.56233	1.4
109.02894	4.0
115.03931	52.5
116.04242	1.7
127.03913	22.8
129.68419	2.2
132.06511	1.8
133.04974	27.6
144.06552	3.6
145.03885	2.5
145.04964	32.9
150.07625	7.9
162.07642	2.1
163.06018	24.0
180.08698	3.8
198.09779	6.1
223.05991	6.0
241.07022	9.9
241.37694	1.8
259.08102	13.8
292.14160	1.5
295.10236	18.5
298.92639	2.0
309.15167	1.6
327.78494	1.6
330.13776	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01862	0.5
55.05509	0.6
56.96573	0.6
57.03443	0.3
67.05493	0.5
67.78036	0.3
69.03415	0.5
69.07072	0.9
69.63873	1.8
69.64275	0.5
76.71256	0.3
77.01567	0.4
79.05499	0.9
81.03406	0.4
81.07050	2.0
83.04974	0.4
83.08623	0.3
83.15467	0.3
84.19069	0.3
85.02885	0.6
86.09727	0.4
91.05461	1.1
93.07035	1.0
95.04966	0.4
95.08597	1.0
97.06482	0.4
98.98457	100.0
100.98869	0.7
103.52831	0.3
105.07027	1.1
107.04944	1.0
107.08601	0.9
109.10178	0.9
111.04405	0.5
115.05472	0.5
116.99496	5.4
119.08596	0.9
121.02826	0.4
121.06480	0.5
121.10139	0.8
123.04457	0.6
123.11729	0.5
124.07558	0.8
125.05965	0.5
129.07065	0.4
131.04919	0.9
131.08560	0.3
133.02821	0.8
133.10092	0.4
135.11679	0.5
137.05975	1.7
139.03899	0.8
140.01079	1.6
145.10115	0.7
147.04396	1.3
149.02304	0.6
149.13248	0.4
150.03093	0.8
151.03891	1.2
157.10172	0.4
159.11723	0.8
161.06026	0.3
162.03241	0.4
163.03885	0.8
163.07547	0.4
164.04681	2.2
165.05443	0.9
167.07050	0.5
168.05621	0.5
173.06027	0.3
174.99216	11.1
175.03917	0.8
176.04665	6.1
176.98914	6.4
177.05453	2.8
181.06473	0.5
185.06018	0.4
187.03812	0.6
189.05443	0.7
195.08090	0.4
197.05930	1.6
199.03902	0.5
200.04674	0.4
204.06596	0.7
212.04645	0.4
213.05551	0.6
214.06207	0.7
215.06981	2.7
221.09618	0.4
225.05371	2.3
226.06285	1.0
227.06908	0.7
237.03421	0.3
237.05399	1.7
239.06947	0.8
240.07750	2.5
241.08484	0.5
243.06500	1.9
250.06685	0.7
251.00035	1.2
251.06953	1.6
252.99707	2.6
253.04874	2.6
254.05672	0.5
255.06403	0.6
258.05261	0.4
261.57330	0.5
265.04984	2.6
266.05646	0.5
267.06494	1.8
268.07269	9.0
269.08087	1.0
270.05484	0.4
271.05975	6.5
279.06519	0.6
281.04483	0.7
282.05240	0.8
283.06061	6.6
283.09476	1.0
283.13190	0.3
284.03067	0.5
285.07468	1.3
286.08185	0.4
295.06003	1.8
296.06781	12.1
296.10104	0.7
297.07578	4.0
298.04684	0.9
299.05484	7.2
301.07098	1.5
311.05627	0.6
311.09201	2.0
311.12570	0.5
311.16379	0.8
313.07028	12.0
314.07773	10.5
315.08505	0.4
329.10165	82.4
329.13345	3.3
330.10400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05515	0.3
58.49738	0.2
67.05513	0.4
69.07069	0.5
71.60854	0.3
79.01827	0.3
79.05504	0.4
81.07055	0.6
83.04961	0.6
85.02886	0.4
91.05476	0.5
93.07027	0.3
94.35394	0.2
95.08591	0.5
98.98462	52.9
100.98887	0.4
105.07050	0.5
107.08571	0.5
109.06491	0.3
111.04446	0.2
116.98713	0.4
116.99490	2.1
119.08581	0.5
121.06515	0.3
121.10140	0.5
122.03632	0.3
123.04430	0.2
131.04994	0.3
133.02838	2.5
133.10124	0.3
137.05983	0.6
140.01067	0.8
141.06996	0.8
145.06535	0.3
147.04424	0.5
150.03049	0.3
151.03886	0.8
152.04712	0.3
153.05515	0.4
155.04907	0.3
161.13269	0.3
162.03111	1.7
163.03902	1.4
164.04695	0.8
165.05577	0.4
165.06918	0.6
169.06494	1.4
174.99223	5.8
175.03827	0.3
175.07524	0.3
176.98932	3.0
177.05487	3.4
180.05803	0.5
181.06509	0.4
183.04480	0.5
185.06062	0.3
187.07513	0.4
187.11220	0.3
189.05324	0.3
194.07199	0.4
195.08128	0.3
196.05228	0.7
197.05966	3.6
197.07675	0.4
198.06775	0.3
200.04662	1.3
201.05505	0.5
207.04385	0.5
208.05067	0.7
209.06007	0.7
210.06786	0.4
211.03859	0.5
211.07541	0.8
212.04942	0.2
213.05475	0.9
214.06194	0.9
215.06987	2.9
221.06007	0.5
222.06725	0.9
223.07558	0.6
225.05502	4.9
226.06187	1.0
227.07100	0.4
228.04149	0.4
230.10249	0.2
235.03914	0.6
236.04666	0.8
237.05490	1.8
239.07027	1.3
239.62703	0.2
240.04181	0.4
240.07841	1.6
241.04895	0.7
241.08539	0.3
242.05707	0.8
243.06517	2.2
250.06282	1.9
250.99931	0.4
251.07025	0.8
252.99710	0.9
253.04942	9.4
254.05673	1.6
256.03696	0.9
265.04913	0.9
267.06671	1.4
268.07297	8.3
269.04510	0.5
269.07941	0.8
270.05179	0.7
270.08276	0.3
271.05994	15.6
272.06317	0.6
278.05841	1.8
278.08395	0.3
279.06613	0.7
280.03506	0.4
281.04453	6.1
282.05127	2.8
283.06015	1.0
283.09637	0.7
284.03110	0.8
285.07559	0.9
286.08469	0.4
295.05988	1.3
296.06769	12.9
297.07513	2.1
298.04785	1.8
298.07889	0.4
299.02014	1.1
299.05463	14.7
301.07098	0.6
313.07050	7.2
314.04337	1.3
314.07813	17.3
315.08356	0.7
329.06824	4.6
329.10172	100.0
330.10498	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01843	1.5
55.05512	11.0
57.07074	10.4
59.16228	1.5
67.05502	21.2
69.07063	20.1
71.05108	3.3
71.08630	6.3
74.74357	1.5
79.05490	11.9
81.07053	46.4
83.08615	11.9
85.10180	4.3
91.05479	6.4
93.07029	23.6
95.04965	3.0
95.08601	50.4
97.10193	11.1
98.98463	100.0
101.83720	1.5
102.83990	1.5
105.07011	14.1
107.08591	17.5
109.06512	2.4
109.10147	23.4
110.04364	1.5
110.87724	2.0
111.11701	3.7
116.99516	5.0
119.08557	11.1
121.10126	13.5
123.08093	3.5
123.11697	11.6
125.13231	2.8
133.10115	12.6
135.11682	11.4
137.06009	3.2
137.09622	6.2
137.13272	6.0
147.04370	1.7
147.11673	11.8
149.13223	12.3
151.11205	2.9
151.14807	2.7
151.24330	1.6
154.47752	1.7
155.10669	2.5
159.82303	1.7
161.06078	1.6
161.13295	8.4
163.14809	6.6
165.12750	4.1
165.16377	2.1
174.99214	17.3
175.14871	4.7
177.16429	4.3
179.14461	1.4
179.17950	1.8
189.16406	5.1
203.17909	2.4
217.19482	3.5
241.11102	2.4
247.23799	1.9
251.00258	1.8
259.12308	2.4
261.26126	1.8
273.25766	22.7
274.26184	2.0
279.26749	1.8
285.10156	3.9
287.05823	2.5
291.26825	11.1
309.27737	7.6
327.08777	1.7
327.12289	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78119	0.4
55.01863	0.9
55.05506	8.6
56.96564	0.6
57.03404	0.4
57.84527	0.4
58.06618	0.4
58.57518	0.3
67.05502	2.9
68.74106	0.4
69.03424	1.2
69.07061	3.9
71.60966	0.7
79.05483	5.5
81.07062	3.5
83.04996	0.7
83.08614	6.7
85.06522	0.4
91.05456	2.4
93.07030	1.8
95.08593	1.6
97.06573	0.5
97.10163	13.9
98.98459	100.0
99.08024	0.4
100.98882	0.6
105.07017	2.5
106.20447	0.4
107.08588	15.3
109.06490	1.0
109.10148	0.9
111.08077	0.5
116.98711	0.7
116.99491	5.4
117.07027	0.7
119.08580	1.2
119.69929	0.5
121.10120	0.6
125.09622	10.3
130.93245	0.5
131.08565	0.4
133.10147	1.5
134.99631	0.6
135.08060	1.3
135.11662	0.7
140.01051	2.8
141.26801	0.4
143.10629	0.7
145.10123	1.5
147.11684	1.3
149.09644	0.9
153.09148	0.8
154.39824	0.4
159.11662	0.7
163.07558	0.5
171.10181	1.4
171.11606	0.6
172.94395	0.7
174.97687	0.6
174.99210	12.5
175.00656	0.8
175.99586	1.2
176.98930	4.9
179.14323	0.6
181.12263	0.9
189.11205	20.3
190.95432	2.5
208.96437	1.9
213.96979	0.7
232.96428	2.3
237.02615	0.5
239.18027	0.6
250.97545	1.8
250.99928	0.7
252.99731	1.6
257.18866	2.0
275.20032	15.1
276.20416	0.7
280.94797	0.8
283.09552	0.8
293.21170	2.0
313.06625	0.5
314.07739	0.5
328.15515	1.4
328.27341	2.2
329.10110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.06588	1.0
55.05511	20.3
57.07076	11.4
65.03934	1.8
67.05502	36.8
69.07067	51.7
69.46513	12.1
71.04970	4.2
71.08620	4.4
76.76763	1.1
79.05492	15.8
81.07056	100.0
82.07365	1.2
83.08615	24.9
85.06527	1.7
85.10158	2.1
91.05470	7.4
91.86075	1.2
93.07045	32.2
95.04958	3.7
95.08604	97.4
97.06530	4.9
97.10168	15.8
98.20698	2.1
98.98463	44.6
98.99114	2.3
99.08091	2.4
105.07042	11.8
107.08597	27.9
109.10156	53.2
111.08065	3.8
111.11729	10.6
119.08582	6.9
121.10146	19.9
123.11713	31.2
125.09647	1.4
125.13250	3.2
131.08546	1.2
133.10117	3.5
135.11693	20.3
137.06006	1.5
137.09651	1.4
137.13254	10.2
139.11194	3.3
147.11684	5.4
149.13254	21.1
151.14804	7.5
161.13228	6.3
163.14806	11.3
165.16397	3.0
174.99232	6.9
175.14854	2.7
177.16364	4.8
179.17972	2.8
189.16415	3.7
191.17923	3.7
203.17896	1.7
217.19484	5.3
247.24144	1.6
247.38293	1.3
261.25729	4.9
273.25793	10.8
279.26749	3.5
291.26797	7.1
297.27899	3.1
309.27972	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.05510	12.8
56.63301	1.6
57.07072	15.5
65.14793	1.4
67.05495	29.5
69.06718	2.1
69.07066	30.3
71.04918	1.5
71.08625	8.1
71.20954	1.4
71.37071	3.5
72.08140	3.0
76.88652	1.3
79.05492	15.9
81.07053	66.7
83.08624	17.3
85.06542	2.0
85.10168	3.7
91.05479	13.3
93.07034	28.9
95.04974	3.1
95.08599	70.2
97.06523	2.4
97.10194	9.2
98.98461	100.0
99.08051	1.8
105.07028	17.9
107.08593	20.8
109.06523	3.0
109.10149	30.8
111.08097	1.7
111.11704	6.5
116.98633	1.5
116.99486	4.1
117.06995	2.5
119.08583	16.7
121.10149	18.0
123.08043	5.0
123.11681	13.3
133.10121	12.6
135.11694	16.6
137.05916	3.0
137.09613	8.2
137.13208	7.5
138.50516	1.8
141.09120	1.8
147.11662	17.8
149.13251	15.8
151.11153	4.5
151.14804	3.1
155.10654	4.3
161.13235	9.1
163.14818	10.1
165.12738	6.3
165.16389	3.1
174.99252	16.1
175.14833	4.6
177.16382	4.5
179.14317	1.8
179.17897	2.4
189.16364	4.0
191.17953	3.0
203.18013	4.3
217.19524	3.5
218.82771	1.9
233.22653	1.6
250.99963	3.7
273.25745	26.1
286.08359	2.5
290.42120	1.6
291.26834	16.2
299.31308	1.7
309.27863	9.5
327.12222	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36760	0.5
55.01867	2.0
55.05509	5.9
57.03444	1.2
57.07064	2.8
62.61733	0.5
65.03939	1.0
67.05502	11.7
69.03408	2.6
69.07061	10.9
71.04996	1.4
71.08622	1.2
71.58503	1.0
74.90108	0.6
79.05477	6.4
81.03406	1.4
81.07049	26.6
83.04953	0.9
83.08608	6.1
85.02908	1.0
85.06547	8.3
86.60778	0.6
91.05485	5.8
93.07035	11.6
94.04160	1.3
95.04971	1.8
95.08598	24.6
97.02902	3.0
97.06550	1.7
97.10160	3.0
98.98460	100.0
99.04427	0.7
99.08095	6.2
100.11250	1.2
103.05438	4.2
105.07024	5.3
107.04946	2.6
107.08595	9.0
109.06528	1.6
109.10144	15.6
111.04425	1.0
111.08083	4.0
111.11704	1.8
113.09650	1.2
116.99505	4.8
117.07024	1.5
119.04954	0.8
119.08578	4.5
121.02798	1.2
121.06489	3.4
121.10141	9.2
122.03659	2.0
123.08070	1.5
123.11697	9.5
125.09631	2.0
129.06995	1.3
131.04907	6.5
131.08575	1.3
133.06496	9.3
133.10124	2.1
135.08055	3.8
135.11656	6.9
137.05971	35.9
137.09677	1.1
137.13271	3.1
138.06335	1.9
139.11249	1.4
143.04880	0.7
143.08533	0.9
145.06479	2.8
145.10118	0.9
147.08046	1.0
147.11655	1.8
149.05943	1.1
149.09708	0.7
149.13255	8.0
151.03918	2.1
151.07524	4.5
153.12711	1.0
161.05980	2.0
161.13277	1.4
163.07529	16.8
163.14827	3.5
165.16383	0.6
167.14311	1.2
170.11748	0.7
171.13797	1.2
173.05942	0.9
174.99222	15.1
175.07558	2.2
175.14735	0.7
177.05531	1.0
177.09111	4.7
177.16351	1.8
178.07758	1.1
179.08548	1.0
182.15369	0.7
185.15424	0.7
189.16367	1.0
191.17952	1.6
195.08008	1.4
203.07051	2.1
203.10550	1.1
206.07140	0.7
207.08072	2.3
210.06766	0.9
211.07503	0.8
221.05943	1.2
221.09518	0.8
222.06709	1.0
223.07611	1.3
224.08202	1.1
225.09007	1.4
234.06798	2.3
235.07506	1.8
235.20618	1.4
237.09082	1.3
239.07118	0.9
239.10664	1.5
240.07883	1.3
245.09688	0.7
249.09164	1.6
251.00066	3.8
251.07085	1.7
252.07838	1.5
253.08635	2.5
257.21933	0.7
262.06262	0.9
263.07053	1.2
263.10657	1.4
265.08521	1.9
265.25281	0.8
266.09393	1.2
267.07315	0.9
267.10141	5.1
268.07462	0.8
269.08087	1.1
273.25827	1.6
277.08545	3.5
280.07037	0.9
281.07965	1.1
281.11609	1.2
283.05981	1.4
283.09509	1.3
284.10117	0.6
285.07632	0.7
285.11105	1.0
291.19534	1.3
291.26773	5.7
295.09653	4.3
295.13278	3.6
296.10260	1.2
297.11224	1.3
298.08301	0.7
299.12903	2.2
309.11240	2.7
309.21732	1.1
309.27832	11.0
327.05209	1.0
327.08545	3.8
327.12268	21.2
327.15921	3.7
327.22998	0.8
327.28888	7.8
328.12723	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.6
57.07073	10.4
61.74782	1.8
67.05505	33.8
69.06710	3.5
69.07065	43.6
71.04985	4.7
71.06223	4.3
71.08614	3.2
71.23371	2.1
77.32813	1.9
79.05490	12.5
80.34930	1.8
81.07058	81.2
83.08622	22.6
85.06545	2.3
85.10152	2.6
91.05484	8.1
93.07050	28.5
95.08607	90.6
97.06519	4.4
97.10154	14.4
98.98462	100.0
99.08096	2.1
105.07007	8.5
107.08581	24.6
109.09440	4.2
109.10156	46.8
109.10905	2.6
111.08069	3.8
111.11697	9.4
116.99508	3.6
119.08564	7.2
121.06475	2.4
121.10122	18.3
123.11719	27.8
125.13267	3.4
133.10107	3.6
135.11678	19.3
137.05968	15.0
137.13264	10.7
139.11203	3.8
147.11713	4.2
149.13248	19.9
151.14790	7.0
161.06006	9.9
161.13292	4.1
163.14804	7.2
165.06950	3.5
174.99245	16.0
177.16411	5.6
188.04744	7.4
189.16460	2.2
191.17989	3.2
193.06474	3.7
203.07005	11.0
210.06725	6.1
217.19560	2.2
221.05997	8.1
225.09102	8.7
252.07651	2.2
253.08632	16.2
261.25806	4.0
267.10022	9.6
273.25735	8.9
277.08664	5.8
279.26935	4.7
280.07306	5.0
285.11227	11.9
291.26801	6.0
294.08725	3.6
295.09671	9.5
309.11124	10.1
309.27771	4.2
327.12268	72.6
328.12653	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73332	1.6
55.05508	20.6
57.07073	11.1
67.05501	26.2
69.07063	45.0
71.04997	2.2
71.08628	5.6
78.58593	1.5
79.05503	13.6
81.07055	76.3
83.08614	21.2
85.06522	2.1
85.10143	2.5
91.05456	6.8
93.07049	29.9
93.97842	1.8
95.08603	83.2
97.06520	2.8
97.10172	15.5
98.98460	100.0
99.08104	2.3
103.46944	1.6
105.06995	9.3
105.39556	2.0
107.08595	24.7
109.10148	40.0
111.08062	4.4
111.11703	6.8
116.99478	3.6
119.08586	7.8
121.10126	20.9
123.11709	24.7
125.13252	3.5
127.61647	1.6
133.10106	4.9
135.11661	19.0
137.05974	3.4
137.13264	11.7
147.11685	8.1
149.13246	22.1
151.14783	5.3
161.13257	5.2
163.14790	7.2
165.12801	1.8
165.16342	2.0
174.99240	15.7
175.14874	2.3
175.85759	1.7
177.16341	6.0
178.01497	1.8
179.17957	3.3
189.16364	3.7
191.17879	2.2
203.17877	2.1
217.19501	3.4
229.21768	2.2
235.07431	1.7
250.99959	2.6
261.25803	4.3
273.25790	10.5
279.26834	3.8
291.26825	5.7
309.27908	4.8
327.12048	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01863	0.9
55.05514	3.5
57.07067	1.8
59.04993	0.5
67.05489	4.8
68.05859	0.4
69.03420	0.7
69.06712	0.9
69.07064	10.6
69.53485	3.6
71.04984	1.2
71.44086	0.4
79.05493	2.9
81.07051	18.5
82.07374	0.7
83.04955	0.8
83.08615	3.4
84.08133	1.5
85.06513	3.2
91.05472	1.8
93.07040	5.7
94.07307	0.4
95.04955	1.1
95.08602	14.4
96.08919	0.5
97.02857	0.5
97.06530	1.6
97.10163	1.8
98.98460	100.0
99.04472	0.5
99.08097	1.7
101.07539	0.4
103.05478	1.1
105.07040	3.3
105.39553	0.5
107.04969	0.9
107.08601	6.1
109.06506	0.7
109.10155	7.4
111.08076	4.8
111.11759	0.9
116.99489	4.4
119.08551	2.6
119.29343	0.4
120.08122	0.6
121.06503	0.6
121.10153	4.0
122.03679	0.6
123.04462	0.5
123.08099	0.7
123.11705	5.7
125.09631	0.8
128.98543	0.5
131.04924	1.2
133.06473	2.0
133.10133	1.0
135.08127	0.5
135.11682	2.4
137.05965	11.1
137.13261	3.4
139.11172	0.7
140.01067	1.1
145.06445	0.6
145.10280	0.6
147.11705	2.0
149.13252	3.3
151.03893	1.1
151.07555	0.7
153.12764	1.0
155.14325	0.8
159.11649	0.7
161.05971	0.5
161.13231	0.5
162.05501	0.5
162.06744	0.5
163.07542	2.8
163.14848	1.3
163.42416	0.5
165.12758	1.4
174.99216	14.5
175.07536	0.9
177.05403	0.6
177.16428	0.7
178.07843	0.6
181.15834	0.4
183.11584	0.5
183.89566	0.5
189.07007	0.5
195.07982	0.5
201.78470	0.4
203.07031	1.0
203.10670	0.5
206.07254	0.8
207.08052	1.5
217.06477	0.6
219.77684	0.4
223.07712	0.6
224.08304	1.0
225.09105	0.8
234.06767	1.2
235.07506	1.4
235.20824	0.6
237.09042	0.5
239.10643	0.6
240.07927	0.7
245.20293	0.4
249.09203	2.3
251.00015	2.5
251.07076	0.5
252.07646	1.0
253.08633	1.0
263.07147	0.5
265.08524	1.0
267.10178	1.9
268.10419	0.5
273.25943	0.9
277.08670	3.5
283.09698	1.6
291.03543	0.5
291.26709	2.3
295.09698	2.6
295.13013	0.9
296.10480	0.6
297.10925	0.5
299.12897	0.7
309.11209	1.6
309.21295	0.6
309.27927	2.4
327.12250	9.2
327.15918	1.0
328.12732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03939	3.3
55.01857	0.9
55.05502	2.3
57.07066	0.7
58.06580	0.4
60.78684	0.4
65.03934	0.5
65.09496	0.4
66.85990	0.4
67.05498	4.0
69.07063	2.4
69.30315	2.4
69.30740	2.6
72.08152	0.6
77.03924	0.9
79.05483	2.8
81.03398	0.7
81.07044	4.2
83.08630	0.7
84.23909	0.4
85.06525	0.7
86.76780	0.4
91.05486	5.1
93.07037	10.5
95.04964	18.0
95.08604	8.0
97.06528	3.2
98.20653	0.9
98.98460	100.0
103.05479	0.7
105.04507	1.3
105.06371	0.8
105.07030	7.8
107.04885	0.6
107.08593	4.8
109.06506	1.5
109.10158	3.9
115.05451	0.4
116.99502	4.6
117.06989	2.5
119.08569	8.9
121.06474	2.0
121.10127	4.6
123.08049	1.7
123.11712	1.2
128.06230	0.6
129.06996	1.6
129.07886	0.4
130.07759	0.6
131.08585	4.2
133.10127	6.3
135.08044	0.9
135.11678	2.3
137.09550	0.8
140.01086	2.7
141.07007	0.5
142.07773	1.8
143.08545	2.4
144.09325	0.5
145.06496	0.6
145.10114	5.6
147.11690	2.1
149.09543	0.6
152.06209	9.4
153.06992	8.6
155.08566	0.8
157.10098	3.5
159.08078	0.7
159.11699	5.3
161.09586	2.3
161.13275	0.9
163.14841	0.6
165.06908	0.4
168.05696	2.9
169.06467	1.1
169.10126	1.8
171.08038	1.3
171.11691	2.2
173.09607	0.4
173.13251	2.6
174.99225	14.8
175.01503	0.6
175.11267	0.5
175.14801	2.8
183.11719	1.3
185.13264	1.2
187.03149	0.5
187.11096	1.1
187.14772	1.9
189.12750	0.6
189.16354	0.6
193.10161	0.5
197.13280	1.2
199.14818	1.3
201.16371	0.5
207.11545	0.8
209.13293	0.7
211.14778	1.3
213.16467	0.6
215.02638	1.5
215.14198	0.6
217.15840	0.6
220.12570	0.5
223.14813	0.8
225.16309	0.8
228.09203	2.7
229.10081	1.5
229.15840	0.7
233.03609	11.6
234.03957	0.8
235.14827	0.7
251.00076	2.8
251.04648	5.6
253.16092	0.5
309.22067	1.1
320.73206	0.5
327.07800	42.9
327.23141	2.8
327.26648	0.8
328.08273	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02377	0.5
53.03935	0.4
55.01865	1.0
60.18485	0.4
65.03918	0.4
66.04720	0.4
67.05499	0.8
69.07061	1.0
70.54897	1.5
77.03921	0.6
79.05495	2.4
81.07058	2.7
81.55016	0.3
85.02903	0.7
85.06548	0.4
91.05479	5.0
93.07032	1.5
94.04188	1.9
95.04958	1.4
95.08599	1.3
98.98463	36.9
103.05468	15.2
104.05770	0.4
105.07030	7.9
107.04950	2.9
107.08598	0.6
108.05771	0.5
109.06517	3.0
109.10165	0.9
115.05447	1.7
116.99492	1.2
117.07018	2.0
119.04942	1.1
119.08605	0.7
120.05685	0.3
121.06511	5.6
121.10103	0.6
122.03651	6.4
123.04400	0.5
123.08096	1.0
123.11648	0.5
128.06250	0.5
129.06982	0.6
131.04927	17.6
132.05304	0.4
133.06490	31.2
134.06853	0.4
135.04469	0.5
135.08055	10.4
135.11708	0.4
136.05148	0.4
137.05972	100.0
138.06320	2.2
141.06967	0.4
143.04909	0.9
143.08498	0.6
144.05666	0.4
145.06485	7.2
147.08025	2.4
149.05922	2.0
151.03973	0.7
151.07549	12.2
152.06146	0.4
157.06514	2.5
160.05232	0.6
161.05966	0.8
162.06749	0.9
163.07544	48.0
164.07878	1.6
165.09091	1.0
171.08031	1.1
172.05251	0.3
174.99226	5.8
175.07544	4.4
177.09114	1.8
179.08597	0.6
179.60283	0.3
181.06535	0.4
187.07562	1.4
188.08273	0.5
189.07147	0.4
189.09091	2.5
194.07211	0.6
195.08029	1.0
202.07788	0.9
203.10587	1.9
206.07372	0.8
207.08008	1.2
217.09998	0.6
220.08826	0.9
221.09622	0.5
223.07570	0.7
224.08363	0.4
234.06723	1.7
235.07553	0.4
235.11243	2.2
237.09082	0.9
240.07922	0.5
245.09636	1.0
248.08168	0.5
249.06731	0.3
249.08994	1.7
251.00018	0.9
253.08664	0.6
262.05920	0.4
263.07901	0.6
263.10657	4.6
267.10043	1.1
268.07288	0.6
277.08566	4.9
278.09021	0.5
283.09625	0.7
295.09714	1.1
295.13260	11.1
296.13608	1.1
297.10873	0.4
299.12683	0.4
309.11154	1.2
312.09781	0.4
312.13480	0.4
327.12238	4.5
327.15912	11.2
328.12601	0.5
328.16129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29522	0.4
53.03942	0.5
55.01868	0.9
55.05495	0.5
57.03428	1.0
67.05486	0.9
69.03423	0.8
69.07070	0.7
70.57103	1.6
79.05482	1.8
81.07065	2.4
83.04976	0.7
91.05456	3.8
93.07026	2.1
93.54982	0.5
94.04188	1.5
95.04952	1.6
95.08598	1.0
97.06506	0.9
98.98460	100.0
103.05457	6.7
105.07027	4.7
107.04957	2.2
107.08595	1.7
109.06506	1.4
109.10148	0.8
115.05441	1.0
116.99499	3.5
117.07042	1.2
119.04954	1.0
119.08573	1.1
121.06500	3.5
121.10149	0.7
122.03633	3.6
123.08092	1.2
123.11719	0.5
124.07597	0.6
131.04916	9.5
131.08548	0.5
133.06477	15.4
133.10132	1.4
134.06830	0.5
135.08046	5.9
137.05969	51.0
138.06334	1.3
139.25581	0.5
140.01065	1.1
143.04964	0.5
145.06445	3.6
145.10175	0.7
147.08043	1.1
147.11691	0.9
149.06012	1.4
151.03957	0.7
151.07532	6.7
157.06474	1.2
160.05180	0.6
161.05949	2.6
162.06857	0.6
163.07532	27.0
165.07031	1.2
165.09163	0.5
171.08096	0.7
174.99214	15.8
175.07545	3.0
177.09116	0.9
178.07875	0.8
179.08543	0.8
182.07231	0.5
187.07628	0.7
188.04723	1.7
189.09146	1.1
191.05522	0.7
193.06386	1.1
193.12286	0.7
195.08073	0.6
203.07028	3.0
203.10785	0.9
205.06616	0.8
207.08157	1.1
210.06819	0.9
217.12178	0.6
221.05956	2.6
224.06117	0.5
224.08263	1.2
225.09154	2.0
227.07059	0.6
234.06779	1.1
235.07559	1.3
235.11139	1.0
235.13203	1.2
239.10754	0.6
249.09155	1.6
251.00040	3.0
251.07062	0.9
252.07822	0.8
253.08565	2.8
259.08118	0.5
263.10733	1.9
265.08633	0.5
266.09457	0.7
267.10193	2.7
268.07925	0.7
277.08661	2.1
279.06534	0.7
280.07343	1.1
283.09787	0.9
285.11209	2.3
294.08871	0.5
295.09689	3.1
295.13370	7.1
309.11041	2.5
327.08524	1.8
327.12363	20.5
327.16019	3.9
328.08926	0.6
328.12854	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01859	1.3
56.96566	0.4
57.03429	1.4
57.07059	0.6
60.04509	0.7
61.02911	1.4
66.94965	0.3
68.99792	0.5
69.03423	7.5
70.06571	0.5
71.04973	0.7
71.60738	0.3
71.61161	0.6
73.02907	1.5
77.01603	0.5
79.05511	0.3
81.03410	3.6
83.04992	0.5
85.02898	20.6
87.00822	8.5
88.98199	0.4
95.04967	0.5
97.02880	6.2
98.98457	100.0
99.04440	2.5
103.03944	0.6
105.01857	19.6
108.04473	0.5
109.02859	4.6
115.03929	0.4
116.98673	0.6
116.99483	5.3
119.99303	0.4
127.03906	15.4
129.01843	0.6
131.04901	0.9
135.04344	0.7
136.06180	0.4
137.05966	0.6
138.05470	0.4
140.01103	1.0
145.04950	6.9
150.06696	0.3
159.02896	2.0
159.04242	0.4
163.03893	0.7
164.04262	0.8
164.07037	0.9
164.71117	0.4
164.75012	0.3
173.01173	0.4
174.99216	17.4
177.05489	0.8
182.13507	0.4
189.03960	1.0
213.03909	0.5
223.90520	0.4
231.04947	5.6
249.06009	2.3
249.15642	0.4
251.00002	3.4
291.10596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06876	0.6
51.63121	0.6
53.03928	1.2
55.01859	1.9
55.05511	2.8
57.03416	2.5
59.04992	1.0
61.02695	0.5
61.02924	5.6
69.03422	7.6
69.07055	0.9
71.04981	1.9
71.58445	0.8
73.02911	1.6
79.05485	1.0
81.03414	3.4
83.04971	0.6
83.08612	12.0
85.02898	48.2
87.04460	1.5
91.03963	2.8
91.05479	1.1
93.07030	1.0
95.08652	0.6
97.02888	12.8
98.98459	100.0
99.04446	3.1
100.03968	0.9
101.02378	0.7
101.09654	9.3
103.03891	0.6
106.06544	1.6
107.04955	1.4
107.08598	0.7
107.69294	0.8
109.02872	3.7
116.98708	1.1
116.99477	6.0
119.10702	1.0
122.74442	0.6
123.04421	0.9
127.03907	14.3
133.02853	1.3
134.03185	0.6
136.07599	0.7
137.05962	4.2
140.01115	1.1
142.12282	1.0
145.04948	20.1
147.10155	3.5
148.07506	0.9
149.05986	0.7
151.03873	0.9
161.05994	2.7
163.06026	5.3
163.07298	1.0
164.07025	0.8
167.07030	0.7
174.99226	15.4
175.07460	1.0
180.08716	0.6
203.07033	4.3
221.05922	1.2
224.08464	0.8
234.06599	0.8
235.07576	0.9
240.07729	0.8
249.09116	0.7
249.39136	0.6
251.00015	3.6
251.06952	0.8
253.08707	0.8
264.07458	0.6
265.08762	0.9
267.10080	1.2
277.08737	1.3
280.07462	0.8
281.08231	0.6
295.09567	1.4
296.10413	0.8
309.10919	1.2
326.07336	4.6
326.11099	1.4
326.14603	1.3
327.04803	0.7
327.08585	0.9
327.12146	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	326.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
57.03434	0.6
61.02915	0.7
62.06072	1.3
69.03409	1.7
70.64880	1.2
70.65228	0.4
73.02910	0.8
76.56894	0.5
81.03395	1.1
81.07039	0.4
83.04928	0.6
84.04523	0.4
85.02899	4.5
85.06550	1.0
87.00793	0.5
97.02872	2.3
98.06019	0.7
98.98454	85.1
99.04483	0.6
100.04086	0.4
105.01859	1.6
109.02895	1.0
110.06035	0.5
116.98626	1.0
116.99483	3.8
121.02940	0.5
122.06127	0.4
123.06699	0.6
124.07510	0.6
127.03891	1.7
128.10704	0.7
128.98634	0.4
129.05516	0.5
134.99648	0.6
140.01054	0.7
142.08659	1.7
145.04945	1.0
146.08022	0.6
146.99625	0.8
147.06497	0.9
152.07948	0.4
164.06955	1.9
164.09232	0.6
164.12808	1.8
174.99205	13.6
191.56099	0.4
194.10385	0.9
196.02870	0.6
200.85245	0.5
219.01736	0.8
220.09837	0.4
237.02824	0.8
251.00015	2.5
254.08597	0.6
321.01453	0.5
326.12054	100.0
327.12320	1.4
344.11826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03940	3.6
55.01870	2.7
55.05257	2.6
55.05509	26.6
55.64560	1.8
57.03423	5.6
57.07081	15.0
58.48605	1.7
59.04994	3.7
59.27633	2.0
67.05502	30.5
67.41752	1.8
69.03423	3.8
69.07065	71.2
70.39837	7.6
71.04990	9.8
71.08628	8.4
79.05487	18.8
81.07052	100.0
83.04966	5.9
83.08611	24.2
85.06540	8.7
91.05484	15.1
93.07037	59.7
95.04963	14.8
95.08601	83.0
97.06531	8.4
97.10162	9.7
98.20898	2.8
98.97570	3.1
99.08089	4.9
105.07027	21.7
105.51421	2.4
107.08598	35.9
109.06506	9.5
109.10150	51.5
111.08083	34.7
111.11716	12.3
113.05982	2.3
116.98643	2.2
119.08569	14.5
121.06496	3.3
121.10138	39.5
123.08085	3.5
123.11700	39.4
125.09610	6.4
125.37337	2.0
127.11155	4.2
131.08572	4.9
133.02834	3.5
133.10135	13.0
135.08067	2.4
135.11705	21.0
137.05922	2.7
137.09566	2.5
137.13245	11.4
139.11183	12.7
145.10100	9.6
147.11655	11.9
149.09569	2.3
149.13261	18.3
151.11166	6.6
151.14890	3.0
153.12721	9.8
159.11697	7.8
161.13199	9.2
163.11177	6.1
163.14818	8.8
165.12756	6.8
167.10704	2.6
167.14369	5.1
169.12248	2.8
173.13298	2.8
175.14873	4.0
177.16426	4.9
179.14464	2.5
181.12242	5.6
187.14850	3.0
189.16415	3.9
191.17918	3.4
201.16487	2.9
203.18037	2.7
209.19012	4.3
215.17981	3.8
223.41003	2.0
233.62506	1.8
245.22731	2.9
265.08542	2.7
271.24118	10.2
277.25214	3.8
289.25195	20.8
295.26260	3.3
307.26279	27.8
313.57553	2.0
325.06955	5.2
325.10703	5.9
325.14163	2.6
325.27359	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03933	3.6
55.01868	3.0
55.05508	21.9
56.64069	1.5
57.03411	2.2
57.07077	8.4
59.04972	2.2
61.02909	1.5
65.03920	2.0
67.05172	2.8
67.05502	38.1
69.03427	5.1
69.07063	40.7
70.15525	6.1
71.04983	5.2
71.08611	5.1
79.05058	2.0
79.05489	25.5
81.03391	2.2
81.07054	82.9
83.04964	3.9
83.08611	18.1
85.02888	9.8
85.06528	5.7
91.05463	19.7
93.06467	2.7
93.07042	50.7
95.04961	10.2
95.08602	100.0
96.08958	1.7
97.02875	2.1
97.06510	3.6
97.10175	9.6
98.97530	1.9
99.08083	4.7
103.05484	3.3
105.07020	30.1
107.05008	1.6
107.08588	36.1
109.06480	4.1
109.10152	53.8
109.10912	2.9
111.08051	4.3
111.11706	5.8
113.09657	1.6
117.07011	4.3
119.04912	2.3
119.08575	24.6
121.06472	3.5
121.10138	39.9
123.08042	5.5
123.11697	27.1
125.09612	2.6
127.03905	2.7
130.07767	1.8
131.08588	11.1
133.02858	7.5
133.10121	20.2
135.11693	25.6
137.05986	13.1
137.09599	9.0
137.13242	7.6
139.11165	2.7
145.04950	2.9
145.10094	13.4
147.11694	20.7
149.05942	3.7
149.09587	4.3
149.13261	20.7
150.06734	1.8
151.07509	2.4
151.11176	4.1
151.14801	5.4
155.10628	5.0
157.10094	2.1
159.11720	11.1
161.05902	3.4
161.13219	14.3
163.03908	1.9
163.07507	4.0
163.11110	2.8
163.14827	10.5
165.12773	7.7
165.16394	3.3
167.07069	1.6
173.13232	6.8
175.03859	2.4
175.07486	6.3
175.14815	7.9
177.16371	5.8
179.14322	3.2
179.17915	2.0
187.14827	4.4
189.16347	10.5
201.05434	5.3
201.16400	3.5
201.83133	1.6
203.17885	2.7
205.06522	2.4
207.17558	3.3
215.17915	9.2
217.19310	2.0
222.06801	2.6
229.19473	2.1
233.05946	3.6
233.18895	2.2
245.22667	4.4
250.06082	2.2
259.24298	4.9
263.23642	2.0
264.07672	2.5
265.08511	4.1
266.09003	1.8
271.24200	30.0
277.25320	5.2
278.06070	1.7
282.08749	2.3
289.25262	26.3
292.07260	2.4
293.08044	6.6
293.11572	3.1
294.08551	2.0
295.26410	2.1
307.09576	5.3
307.26282	22.7
310.08084	1.9
317.44009	1.7
325.07013	2.5
325.10672	14.0
325.14264	10.7
325.24115	2.2
325.27383	12.4
326.10986	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03935	2.6
54.22485	1.3
55.05502	15.2
55.27978	1.3
56.27734	1.5
57.03424	4.2
57.07061	6.6
61.02914	2.8
61.20296	1.4
61.71840	1.2
64.72961	1.2
65.95074	1.6
67.05496	38.8
69.03426	11.7
69.07060	34.3
69.30850	15.9
70.03735	1.3
70.57961	1.4
71.04987	4.1
71.08633	3.2
73.02885	1.9
79.05484	26.0
81.03413	2.8
81.07046	76.3
83.04978	3.6
83.08607	17.2
85.02895	48.0
85.06538	6.5
85.10199	2.3
87.03793	1.3
87.04444	2.3
91.03963	1.7
91.05470	18.8
93.07033	49.5
95.04968	6.4
95.08598	100.0
96.08926	3.4
97.02890	11.7
97.06522	2.6
97.10159	11.8
98.21559	2.3
99.04450	2.2
99.08096	2.7
100.11247	2.8
103.05457	2.4
105.07020	27.8
107.04988	1.4
107.08581	33.1
109.02868	2.3
109.06544	3.2
109.10143	56.8
111.08047	2.8
111.11722	5.3
113.09645	1.5
117.07024	2.7
119.08568	24.0
119.84771	1.3
121.06493	3.4
121.10128	33.2
121.26505	1.4
123.08046	3.8
123.11696	21.3
125.09606	2.4
125.13270	2.9
127.03883	10.5
131.08560	9.3
133.02840	8.1
133.10097	16.0
135.11665	28.9
137.05942	7.3
137.09628	10.9
137.13229	8.1
139.11163	4.9
142.07729	1.6
145.04955	13.9
145.10098	13.0
147.11659	18.7
149.13235	25.9
151.11194	3.9
151.14830	5.7
155.10654	4.5
159.11702	10.8
161.13245	14.3
163.03923	3.3
163.06030	6.3
163.07422	1.8
163.11214	3.7
163.14828	9.7
165.05536	1.8
165.12776	8.7
165.16408	1.6
173.13284	7.0
175.03879	1.9
175.07549	5.3
175.14825	8.8
177.16385	4.9
179.14366	3.4
187.14839	6.1
189.16356	7.8
191.17946	3.6
193.15897	1.6
195.17427	1.9
201.05496	3.5
201.09076	2.1
201.16397	5.2
203.17929	2.5
205.06393	1.6
205.15820	1.9
205.19627	1.6
207.17491	2.1
211.16872	1.7
215.17972	6.3
217.19577	1.5
222.06703	1.7
229.19490	1.8
233.05933	2.5
247.24219	2.2
259.24228	4.4
261.21957	2.0
261.25897	2.5
263.23706	2.5
265.08551	1.8
271.24173	33.5
277.25238	4.7
283.09546	1.9
289.25211	30.7
293.08060	2.7
295.26169	2.5
300.30197	1.6
307.09534	2.7
307.26270	23.4
325.10645	7.9
325.14352	5.8
325.27087	8.7
326.11130	2.2
326.27618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03939	2.6
55.01864	2.9
55.05254	3.0
55.05503	34.7
57.03422	6.5
57.06850	1.7
57.07070	16.3
58.06599	3.4
59.04992	5.0
67.05496	32.1
67.78757	1.4
69.03410	6.7
69.07061	92.8
71.05000	8.7
71.08618	6.4
71.15259	2.3
71.15578	2.8
79.05490	18.2
81.07050	90.9
83.04969	4.9
83.08609	44.0
85.06530	10.9
87.04472	3.5
91.05470	13.7
93.07035	100.0
93.38241	1.9
95.04964	17.3
95.08598	92.0
97.06523	13.0
97.10147	21.3
99.08071	5.6
105.07009	17.3
107.04935	2.1
107.08586	36.4
109.06528	12.8
109.10145	58.4
110.10461	2.3
111.08070	56.7
111.11730	8.4
113.05986	2.0
119.08555	13.2
121.06485	2.9
121.10133	61.4
123.08067	9.2
123.11690	34.7
125.09602	10.8
125.13297	2.7
127.07532	3.0
131.08571	4.7
133.10110	7.5
135.08040	2.1
135.11685	15.8
137.09622	3.3
137.13214	8.5
139.11172	15.7
141.12753	2.1
145.10115	7.1
147.11670	9.4
149.09604	5.8
149.13246	21.9
151.11238	3.0
151.14798	5.3
153.12746	3.2
155.10645	3.9
157.12212	2.0
159.11647	11.2
161.13213	9.1
163.11230	5.8
163.14798	6.7
165.12762	3.3
165.16385	3.4
167.10715	7.9
167.14348	5.7
173.13248	4.3
175.14833	7.7
177.12755	6.6
177.16370	3.6
179.14400	2.0
179.18011	2.5
181.12245	7.2
185.15453	1.9
187.14868	2.7
189.00475	2.1
189.16420	2.9
191.17949	4.1
195.13766	4.0
195.17442	2.4
197.19020	3.8
201.05330	1.9
201.16432	2.3
205.15692	2.0
209.18983	14.0
215.17943	4.6
217.19485	6.2
231.21310	1.6
235.20500	6.2
245.22546	2.3
247.24312	4.3
250.06387	2.8
261.49222	1.6
262.82199	1.5
271.24170	9.6
277.25327	2.0
284.06677	8.5
285.06433	6.4
289.25266	14.9
295.26044	9.1
302.07510	3.7
307.09497	2.0
307.26270	33.1
325.10468	2.7
325.14221	2.1
325.27377	74.9
326.27695	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.26112	1.3
53.90967	1.3
55.01862	1.9
55.05508	18.9
57.03425	2.0
57.07066	9.6
65.03957	1.8
67.05164	2.6
67.05499	37.8
69.03403	1.8
69.07064	49.0
69.62797	5.1
69.63226	6.9
71.04982	4.7
71.08636	3.8
79.05480	24.4
81.07051	78.2
83.04974	5.6
83.08619	16.6
85.06559	11.7
91.05462	16.3
93.06458	3.1
93.07036	45.1
95.04964	8.2
95.08598	100.0
97.06508	4.1
97.10174	12.0
99.08076	4.7
105.07025	26.9
107.08580	35.2
109.06532	3.4
109.10149	59.2
111.08060	5.2
111.11697	8.2
117.06996	3.2
119.08567	20.3
121.06602	1.6
121.10133	35.1
123.08074	3.9
123.11700	22.6
125.09624	2.7
125.13244	2.4
131.08566	10.1
133.02837	4.1
133.10110	21.1
135.11685	24.6
137.05971	2.6
137.09625	9.7
137.13223	10.8
138.37029	1.7
139.11165	6.5
145.10127	15.5
147.11685	17.9
149.09734	2.1
149.13242	20.3
151.11134	3.8
151.14848	5.2
153.12685	2.7
155.10689	5.8
159.11684	10.8
161.13228	11.6
163.07491	2.1
163.11229	2.5
163.14842	9.6
165.12689	4.2
165.16443	2.2
169.12392	1.6
173.13248	6.6
175.14816	8.6
177.16432	7.1
179.14346	2.6
179.17990	2.3
187.14777	8.5
189.16380	6.9
189.88162	1.4
191.17966	2.2
193.15755	1.7
198.37962	1.4
201.16339	5.4
203.17940	1.7
205.06357	2.0
205.69296	1.5
215.17940	5.7
221.05888	1.5
233.05878	2.4
245.22624	2.0
247.24229	2.5
250.06235	1.9
259.24246	4.4
261.25946	2.4
263.23895	1.8
265.08484	2.2
271.24207	32.3
277.25327	5.1
289.25247	30.7
293.08044	3.6
295.26367	2.8
307.26248	20.4
325.10687	7.1
325.27277	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	325.1433
Annotation	Cagayanin
Peak:m/z	Relative Intensity
50.76760	0.3
53.03942	0.3
57.01299	0.2
57.07047	0.3
58.06581	0.3
62.06076	0.5
67.05492	1.1
68.99789	0.9
69.07066	1.4
71.36731	0.4
79.05484	0.5
81.07043	1.1
83.08611	0.4
91.05488	0.3
93.07037	0.5
95.04971	1.6
95.08607	0.6
97.06524	0.5
105.07027	0.7
107.04953	25.3
107.08556	0.4
109.10119	0.5
119.08521	0.3
121.06485	0.4
121.10121	0.4
123.04424	8.7
135.04411	1.3
135.07993	0.3
137.05986	0.4
145.10109	0.6
147.04408	0.5
149.02356	0.3
149.05977	7.5
153.05528	0.2
161.05991	1.4
163.03850	0.3
163.07518	0.3
163.11189	0.4
173.09619	2.0
175.07549	0.3
176.08177	0.4
181.06425	0.4
191.10666	29.4
192.10977	0.3
197.05905	0.6
198.06763	0.3
199.07553	0.6
211.07494	0.3
212.04703	1.7
213.05423	0.2
213.09085	0.3
223.32431	0.3
225.09277	0.2
226.06248	0.8
227.07028	1.2
227.64433	0.3
229.08615	0.5
241.04971	0.6
241.08647	0.5
251.10599	0.3
255.06512	5.7
256.07309	2.1
257.08047	0.6
267.10135	2.9
269.07971	0.3
279.10114	0.4
280.07233	1.6
294.12534	0.8
295.09570	3.4
297.14847	29.2
298.15143	0.7
310.11954	4.9
325.14319	100.0
326.14679	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
51.68850	0.3
52.69074	0.3
53.33155	0.3
55.01848	0.4
56.96511	0.4
57.07042	0.7
58.06548	0.8
61.02908	0.3
67.05458	0.7
68.99784	2.1
69.03381	0.4
69.07012	0.8
70.90631	0.8
79.05449	0.7
81.06980	0.8
83.01338	5.0
85.02861	0.6
91.05418	0.5
95.04907	1.0
95.08533	0.5
97.06525	1.5
105.07008	0.7
107.04953	2.8
107.08521	0.6
117.04031	0.3
117.06892	0.3
119.04939	0.3
119.08505	0.5
123.04351	1.2
129.06950	0.8
131.04880	0.7
131.08545	0.3
133.06473	0.3
133.10054	0.4
135.04373	0.9
135.11708	0.3
137.02327	0.5
141.06938	0.4
142.07686	0.5
143.04935	0.4
143.08542	0.6
145.06366	0.5
145.10040	0.8
147.04430	1.6
147.11610	0.3
149.02296	0.7
149.05876	0.7
149.50389	0.3
151.03857	0.4
152.06157	1.1
153.06892	0.6
155.08501	0.7
157.06444	0.9
157.10066	0.7
158.07249	0.4
159.04408	0.4
161.06021	1.4
165.06944	1.2
167.08554	1.9
169.06448	0.6
170.07164	0.7
171.07967	1.4
173.05956	0.6
173.09572	0.6
177.06929	1.1
179.08522	0.4
181.06377	1.2
183.08005	0.6
183.11618	0.3
184.05157	0.9
185.05928	2.0
185.09557	0.7
186.06784	0.5
191.10576	1.2
193.04893	1.2
195.08060	2.5
197.05992	1.5
198.06734	6.8
199.07484	2.1
201.05385	1.1
201.09024	1.3
209.05902	0.4
210.06740	0.7
211.07481	0.4
213.05537	0.8
213.09076	18.2
214.09497	0.5
223.07495	2.2
224.08168	0.5
225.05461	0.4
226.06149	3.3
227.06973	1.2
237.05453	0.7
239.06729	0.3
240.07701	1.0
241.08571	2.9
251.06990	1.3
252.07777	0.6
253.04950	1.4
254.05603	4.1
267.06439	0.5
268.07175	0.6
269.08047	100.0
270.08426	2.5
297.14795	1.7
309.09683	0.4
325.14276	15.6
325.21588	1.0
325.25824	3.2
325.76071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Cagayanin
Peak:m/z	Relative Intensity
51.89685	0.4
53.03944	0.4
55.01854	0.7
57.07054	0.6
58.06595	0.7
61.02910	0.8
64.31321	0.4
67.05487	0.9
67.65368	0.4
68.99769	2.1
69.07063	2.1
73.02896	0.5
79.05489	1.2
81.07064	1.0
85.02891	1.5
88.07635	0.4
91.03943	1.5
91.05489	0.5
93.07050	0.5
95.04975	2.7
97.02864	0.6
104.06088	0.4
105.07008	0.5
107.04948	44.4
111.76137	0.4
121.06506	0.5
123.04424	14.1
125.49950	0.4
134.03587	0.5
135.04387	2.0
145.04927	0.7
145.10133	1.2
147.04385	0.8
149.02362	1.5
149.05969	12.2
157.92694	0.4
161.05984	2.3
173.09613	3.3
176.08371	0.5
181.06471	0.7
183.08197	0.5
189.62463	0.4
191.10661	38.9
192.10963	0.7
193.04967	1.9
197.05986	0.6
198.09908	0.4
212.04698	2.6
226.06143	1.1
227.07054	1.5
229.08449	0.5
239.07195	0.5
239.10619	0.5
241.04956	1.2
241.08531	1.5
251.10745	0.4
252.07455	0.6
253.08540	0.5
255.06483	5.9
256.07315	4.8
256.10046	0.6
257.08011	0.7
267.10187	4.0
269.08136	0.8
279.09958	0.9
280.07343	2.3
282.12204	0.4
294.12350	0.9
295.09515	5.4
297.14828	26.3
298.15079	0.7
310.11923	6.2
325.14304	100.0
325.25876	2.9
325.76260	1.0
326.14603	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	325.1431
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
53.00295	0.4
55.01860	0.4
55.05506	0.9
65.03602	0.2
65.03936	2.6
69.07053	0.3
71.36736	0.2
81.07027	0.5
83.04916	0.2
83.08585	0.3
91.05504	0.2
93.03402	2.0
93.07049	0.3
95.01295	0.4
95.04955	0.3
95.08549	0.3
106.97467	0.2
107.04971	1.0
111.04426	0.5
119.04903	0.5
121.02865	2.3
121.06497	1.0
131.01288	3.2
137.02335	0.2
141.06992	0.3
147.04393	2.0
149.02332	35.0
150.02695	0.3
155.08534	0.4
163.03888	0.4
165.06996	0.6
167.03391	100.0
168.03703	1.0
169.06454	1.3
177.06992	0.3
179.08583	0.4
179.10103	0.2
181.06488	0.7
182.07291	0.5
183.08014	0.5
195.06244	0.4
195.08051	6.5
197.05969	2.5
197.09663	0.3
205.08572	2.9
213.09137	0.4
221.09570	0.4
223.07571	0.5
227.06982	0.3
251.07059	1.3
269.08075	32.4
270.08417	0.5
279.13821	0.3
279.17468	0.5
285.03937	0.2
289.15820	0.3
307.16904	3.2
325.14340	25.9
325.17850	1.7
326.14667	0.9
336.53894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03947	2.3
55.01870	2.1
57.03437	2.7
59.04989	0.3
61.02904	0.8
69.03422	15.0
69.07048	0.4
69.66968	0.2
71.01329	1.0
71.04639	0.4
71.04991	5.1
71.49978	0.6
71.50327	0.3
73.02903	0.9
75.04485	0.3
81.03411	16.0
81.07050	0.6
85.02896	2.2
87.04468	0.5
87.84447	0.3
91.04968	0.3
91.05479	1.2
93.07027	0.4
97.02858	0.4
99.04446	5.6
107.04938	0.3
107.08530	0.4
109.06481	0.3
116.04958	0.5
117.05492	1.8
118.06522	4.1
119.72044	0.3
127.03898	0.4
137.05983	0.3
140.07037	0.3
145.04997	0.5
145.06555	0.4
145.07591	6.7
147.09163	7.7
151.03874	0.3
161.07137	0.6
162.07820	1.3
163.03886	0.5
163.07463	0.4
163.08658	0.9
173.07094	10.7
175.08662	6.1
177.05379	0.3
185.07129	0.4
191.08134	100.0
192.08472	0.9
205.09698	0.8
213.10074	0.4
231.11272	0.4
233.09427	1.2
243.11282	0.4
271.10764	1.0
289.11832	2.1
307.12848	35.0
325.13919	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03920	0.5
55.01863	0.3
56.96566	2.3
57.03428	1.4
57.03667	0.2
61.02931	1.1
64.87999	0.2
67.05495	0.5
69.03416	2.5
70.21274	1.2
71.04976	0.4
73.02913	2.4
77.29032	0.2
81.00942	0.2
81.03397	1.0
81.07063	0.3
83.04945	0.4
83.28182	0.2
84.08148	0.3
84.96024	0.3
85.02899	4.5
86.07750	0.2
87.04439	0.3
91.03929	0.3
91.05464	0.9
97.02891	2.5
98.71819	0.2
98.97584	2.2
98.98476	0.2
99.04440	0.4
100.99126	0.3
101.06011	0.4
108.85043	0.3
109.02874	0.5
112.99110	0.3
116.98596	1.7
117.05661	0.2
118.06544	2.5
119.01877	0.4
119.04914	0.3
123.11735	0.3
127.03906	1.3
128.98598	0.5
131.00159	0.5
133.07579	3.7
134.99646	0.9
135.04433	0.3
136.06174	0.4
137.06024	0.4
145.07599	100.0
146.08388	1.8
146.99628	0.9
147.06508	0.7
147.09138	0.6
149.01270	0.5
149.05898	0.3
155.86237	0.2
158.99637	0.7
161.01242	0.6
162.05493	0.3
163.04988	3.4
163.08656	58.3
164.09013	0.6
167.06985	0.3
169.04355	0.3
170.05154	0.6
170.55347	0.3
170.99649	0.4
175.02751	0.6
177.00734	1.1
177.04221	0.5
177.05574	0.6
178.04955	1.0
184.04912	0.3
189.00688	0.3
193.03850	0.3
219.01726	1.1
219.10764	0.2
237.02751	1.1
244.05707	0.3
244.55664	0.3
244.58197	0.3
245.04930	0.3
247.05870	0.2
259.07336	0.3
279.03864	0.3
295.91235	0.3
325.13922	87.1
326.14401	1.2
337.08310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	3.8
57.03437	5.9
57.07070	16.5
58.06591	25.2
60.61259	3.4
61.02930	74.4
63.85669	3.4
67.05496	7.9
67.17718	3.1
69.03416	9.9
69.07056	7.3
70.79809	6.2
71.05006	7.5
73.02918	29.0
79.05486	7.4
81.03371	3.5
81.07048	7.9
85.02905	100.0
88.07629	5.5
91.03954	81.6
91.05438	3.9
93.07062	4.0
95.04971	4.7
95.08598	10.4
97.02890	43.1
99.04424	7.1
105.07026	4.0
107.04951	12.4
109.06482	3.6
109.10140	6.3
111.22367	3.5
115.03981	4.7
123.04443	8.4
124.62003	3.2
127.03907	31.7
133.10104	4.7
139.10341	3.2
141.00539	3.2
145.04953	45.2
149.02345	14.6
163.05994	28.5
177.68719	3.4
191.10683	15.1
193.04968	32.8
210.64130	4.8
280.11975	3.9
294.07614	9.2
307.22922	4.4
309.09894	9.5
310.10254	5.9
325.14694	23.1
325.22089	6.8
325.26038	54.8
325.76437	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	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.60759	0.1
53.03935	0.2
54.02547	0.1
55.01867	0.3
55.05507	0.1
56.96539	0.2
57.03415	0.3
61.02908	0.4
61.73269	0.1
65.03933	0.4
68.99783	0.2
69.03423	0.7
69.07044	0.1
70.40353	0.3
71.04965	0.2
71.17200	0.1
73.02911	0.1
79.05486	0.4
81.03403	0.4
83.04948	0.1
85.02898	2.7
85.03407	0.1
85.07671	0.1
91.03967	0.1
91.05472	4.6
95.04950	0.3
95.08572	0.2
97.02876	0.9
99.04459	0.1
105.07034	0.1
107.04946	8.0
108.05284	0.2
109.02876	0.2
110.06022	0.1
115.05408	0.3
117.07033	0.3
119.04933	6.6
119.08623	0.1
120.05251	0.1
121.02831	0.1
121.10078	0.1
123.04385	0.1
127.03891	0.6
129.06998	0.2
131.04874	0.2
133.02887	0.1
133.06503	0.1
135.04402	1.0
137.05946	0.2
141.07028	0.1
144.05617	0.1
145.04984	0.7
145.06522	0.6
147.04338	0.2
147.08049	0.3
149.05899	0.1
150.06773	0.1
151.03857	0.2
153.05391	0.1
161.05930	0.1
163.03889	100.0
164.04240	1.9
166.08498	0.1
167.06972	0.3
173.05945	0.3
175.07533	0.5
177.05490	0.2
181.04907	0.2
181.08583	0.2
187.07597	0.1
192.07846	0.2
193.04919	0.3
201.05606	0.1
201.10265	0.2
205.08501	0.6
207.06555	0.3
207.10159	0.4
219.10164	0.2
233.07974	0.1
235.09737	0.9
244.09773	0.1
247.10719	0.5
259.09668	0.2
265.10764	0.2
289.10898	0.3
307.12369	0.5
325.06769	0.2
325.10071	0.2
325.13541	0.4
343.00003	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77082	3.1
55.05499	2.8
56.96555	5.3
57.07069	36.9
58.06591	9.9
62.23729	3.0
68.23850	3.1
69.07067	8.0
70.60280	11.5
71.08634	44.8
71.44425	2.5
71.44840	2.7
79.05507	5.3
81.07052	4.8
84.21206	3.0
89.06030	100.0
90.03967	2.8
95.08573	3.5
107.04960	4.1
107.07076	9.8
107.08607	5.0
109.10139	3.0
113.13313	3.7
119.08608	3.2
130.08678	3.7
133.08592	27.0
147.04396	3.6
147.08031	3.3
148.08415	2.9
151.09671	4.6
157.15849	3.8
161.02402	5.3
162.02689	5.0
164.25189	2.6
167.03372	3.9
176.04326	2.7
177.11261	10.1
195.12288	32.4
201.18550	8.9
203.07031	24.4
204.07391	41.2
205.07751	3.5
241.08566	3.0
268.07275	4.6
269.08069	4.8
273.56946	3.5
281.20001	3.9
294.07550	6.9
307.24765	65.8
309.09821	10.1
315.39114	3.2
324.13202	54.6
324.28720	42.2
325.14371	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.74642	0.3
53.03939	0.3
55.01875	0.9
55.05514	1.6
56.05037	0.3
56.96555	0.6
57.03449	0.4
57.07076	0.7
58.06576	0.8
64.44261	0.3
65.03930	0.4
67.05503	3.5
69.03414	0.4
69.07063	9.9
69.31818	0.7
69.32217	3.4
71.04984	0.3
79.05479	3.4
81.07052	7.7
83.04977	3.9
83.08612	0.7
86.09701	100.0
87.10038	0.9
91.05476	7.7
93.07035	12.3
93.08759	0.3
95.04960	2.7
95.08609	2.5
97.06530	1.1
98.23237	0.3
105.07027	14.5
107.04975	1.1
107.08586	4.2
109.06508	8.8
109.10153	1.5
111.08067	3.7
117.07037	0.5
119.08581	4.6
121.10148	1.2
122.60700	0.3
123.04427	0.7
123.08069	1.2
123.11697	0.8
123.87730	0.3
128.10712	5.2
129.06976	0.9
131.08548	4.6
132.10196	32.4
133.06490	0.9
133.10120	20.0
134.10518	0.4
135.08060	0.8
137.05986	0.4
140.14417	0.3
145.10121	0.6
145.72543	0.3
147.07962	0.4
147.11676	13.4
149.09637	1.8
149.13271	1.3
151.07614	3.0
151.11176	45.4
152.11494	0.7
156.10188	1.5
157.10146	0.8
157.25139	0.3
160.88875	0.3
165.12737	2.4
167.14288	0.4
173.12985	0.4
174.11316	0.7
175.11180	4.1
181.94386	0.3
192.13817	0.5
193.12218	4.5
204.13803	0.3
210.14926	0.6
222.14944	1.2
260.17563	0.6
260.20087	7.1
260.22635	0.5
278.21133	29.7
279.21393	0.8
302.56927	0.3
306.20612	6.9
309.09729	0.7
316.15207	0.3
324.08737	0.5
324.21667	22.1
325.14240	0.8
325.21906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01856	1.9
55.05489	3.3
56.96553	1.8
57.03437	4.9
58.06596	5.3
59.05002	1.4
60.04522	26.0
61.02925	8.5
67.05486	1.5
69.03426	20.3
69.85571	4.4
69.85987	2.0
70.03760	1.1
70.06589	35.2
71.04976	5.5
71.06923	1.1
71.96840	1.1
73.02918	5.1
74.06081	1.1
76.04004	1.4
79.05495	1.4
81.03419	8.5
81.07028	1.2
82.06570	3.5
82.59995	0.9
83.04975	15.2
84.08140	35.0
85.02902	41.1
85.06536	3.9
85.08467	1.2
86.06068	2.2
87.04461	3.8
88.07619	7.5
91.03960	2.7
91.05477	1.4
94.84785	1.0
95.06979	1.0
96.08134	6.2
97.02886	17.7
97.06521	5.0
98.06017	1.6
98.76784	1.0
98.97573	4.4
99.04452	4.1
100.07606	3.9
101.06028	3.3
102.09182	4.5
108.08109	1.1
108.22968	0.9
109.02874	5.4
109.06514	1.1
110.06025	0.9
111.86700	0.9
112.07590	2.5
113.02351	1.0
114.09172	5.2
116.98610	3.6
118.08639	15.9
123.04462	1.0
123.05509	1.8
124.07632	1.8
126.09175	3.4
127.03912	11.0
127.07557	2.0
128.07076	3.6
128.10666	1.2
128.98618	1.0
129.07281	1.1
130.08650	2.4
134.99641	1.3
137.05968	1.8
142.08633	1.0
143.01903	1.0
144.10182	7.8
145.04926	7.9
145.07578	3.9
145.08633	3.6
146.06068	1.2
146.11758	1.5
149.06819	1.2
158.99689	1.2
160.09718	1.2
161.02954	1.1
162.05560	4.0
162.11249	100.0
162.14938	3.8
163.03915	2.2
163.08684	3.0
163.11613	2.0
164.12799	1.3
172.03902	1.1
177.00716	2.1
177.05475	1.1
203.04050	1.1
206.10248	2.0
219.01744	1.3
237.02863	1.6
259.05991	2.6
306.15469	1.6
314.59052	1.3
324.10754	2.3
324.16525	65.1
324.19995	3.9
325.10123	2.7
325.13931	6.4
325.17230	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1076
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.00369	0.2
55.01863	0.5
55.05502	0.5
56.13901	0.2
56.96555	2.1
57.03434	1.4
58.06569	0.2
58.76783	0.2
59.04977	0.2
60.04508	0.8
61.02916	0.8
67.05489	0.4
69.03423	2.6
69.07049	0.2
70.06585	1.5
70.32461	0.7
70.32806	0.4
71.04986	0.5
71.75675	0.2
72.08182	0.5
73.02909	2.5
73.06556	0.3
74.06081	0.6
76.04015	0.3
79.05455	0.2
81.03407	0.7
82.02769	0.2
82.06575	0.4
83.04983	0.5
84.04498	0.7
84.08129	0.9
84.96008	0.4
85.02900	4.5
85.06565	0.3
86.06073	0.3
87.04462	0.6
91.03970	0.3
91.05463	0.3
96.08118	0.2
97.02888	2.2
98.01305	0.3
98.97576	2.5
99.04453	0.7
100.07648	0.2
101.06004	0.2
102.97015	0.2
106.06567	0.3
109.02871	0.9
115.03970	0.4
116.98618	2.2
118.06562	0.2
119.01806	0.3
119.04932	0.5
120.04481	0.4
120.05794	0.2
120.06580	0.2
127.03901	1.7
128.07077	0.3
128.98615	0.7
129.01985	0.3
131.00117	0.3
133.01782	0.2
134.06001	0.5
134.99670	1.2
135.04434	0.3
136.07520	0.3
137.05966	0.8
139.03894	0.5
140.04228	0.3
144.10184	0.6
145.02814	0.2
145.04970	2.1
145.07591	5.6
145.08536	0.3
146.04192	0.3
146.99646	0.8
147.03339	0.3
147.04355	1.2
148.03688	0.2
148.04779	0.3
149.01260	0.3
153.05540	0.3
155.04688	0.8
155.08159	0.2
158.99666	0.8
159.03279	0.2
160.09694	0.6
161.01300	0.4
161.02834	0.3
161.10017	0.2
162.05490	100.0
162.11244	3.2
162.14862	0.3
163.03903	0.4
163.05891	2.3
163.08658	2.8
164.05202	0.5
168.05405	0.3
170.05170	0.4
175.02600	0.3
177.00702	1.3
177.04297	0.5
177.05727	0.3
189.00629	0.3
189.04405	0.4
191.05775	0.3
192.06480	0.5
198.06348	0.4
205.05452	0.4
207.01656	0.2
214.06004	0.7
219.01741	0.8
220.02164	0.3
221.06871	0.4
226.05992	0.5
227.06714	0.5
229.04999	0.4
237.02766	1.8
243.07822	0.7
243.10016	0.5
243.57285	0.3
244.07884	0.5
247.06129	0.5
250.17099	0.3
255.03819	0.4
258.06537	0.3
259.05978	0.3
263.07571	0.3
279.07263	0.4
280.06989	0.4
309.08484	0.6
314.59015	0.3
321.08405	0.4
324.10721	11.9
324.16132	1.5
324.19858	0.4
325.10626	0.6
325.13998	3.9
335.10287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00369	0.2
55.01863	0.5
55.05502	0.5
56.13901	0.2
56.96555	2.1
57.03434	1.4
58.06569	0.2
58.76783	0.2
59.04977	0.2
60.04508	0.8
61.02916	0.8
67.05489	0.4
69.03423	2.6
69.07049	0.2
70.06585	1.5
70.32461	0.7
70.32806	0.4
71.04986	0.5
71.75675	0.2
72.08182	0.5
73.02909	2.5
73.06556	0.3
74.06081	0.6
76.04015	0.3
79.05455	0.2
81.03407	0.7
82.02769	0.2
82.06575	0.4
83.04983	0.5
84.04498	0.7
84.08129	0.9
84.96008	0.4
85.02900	4.5
85.06565	0.3
86.06073	0.3
87.04462	0.6
91.03970	0.3
91.05463	0.3
96.08118	0.2
97.02888	2.2
98.01305	0.3
98.97576	2.5
99.04453	0.7
100.07648	0.2
101.06004	0.2
102.97015	0.2
106.06567	0.3
109.02871	0.9
115.03970	0.4
116.98618	2.2
118.06562	0.2
119.01806	0.3
119.04932	0.5
120.04481	0.4
120.05794	0.2
120.06580	0.2
127.03901	1.7
128.07077	0.3
128.98615	0.7
129.01985	0.3
131.00117	0.3
133.01782	0.2
134.06001	0.5
134.99670	1.2
135.04434	0.3
136.07520	0.3
137.05966	0.8
139.03894	0.5
140.04228	0.3
144.10184	0.6
145.02814	0.2
145.04970	2.1
145.07591	5.6
145.08536	0.3
146.04192	0.3
146.99646	0.8
147.03339	0.3
147.04355	1.2
148.03688	0.2
148.04779	0.3
149.01260	0.3
153.05540	0.3
155.04688	0.8
155.08159	0.2
158.99666	0.8
159.03279	0.2
160.09694	0.6
161.01300	0.4
161.02834	0.3
161.10017	0.2
162.05490	100.0
162.11244	3.2
162.14862	0.3
163.03903	0.4
163.05891	2.3
163.08658	2.8
164.05202	0.5
168.05405	0.3
170.05170	0.4
175.02600	0.3
177.00702	1.3
177.04297	0.5
177.05727	0.3
189.00629	0.3
189.04405	0.4
191.05775	0.3
192.06480	0.5
198.06348	0.4
205.05452	0.4
207.01656	0.2
214.06004	0.7
219.01741	0.8
220.02164	0.3
221.06871	0.4
226.05992	0.5
227.06714	0.5
229.04999	0.4
237.02766	1.8
243.07822	0.7
243.10016	0.5
243.57285	0.3
244.07884	0.5
247.06129	0.5
250.17099	0.3
255.03819	0.4
258.06537	0.3
259.05978	0.3
263.07571	0.3
279.07263	0.4
280.06989	0.4
309.08484	0.6
314.59015	0.3
321.08405	0.4
324.10721	11.9
324.16132	1.5
324.19858	0.4
325.10626	0.6
325.13998	3.9
335.10287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01864	0.9
55.05498	1.7
55.93509	2.8
56.94305	3.0
56.96553	0.8
57.07066	1.3
67.05501	3.7
69.03413	1.3
69.07050	2.0
70.07388	1.0
70.95863	4.4
71.22000	1.8
71.93011	1.6
72.93784	13.9
79.05475	1.9
81.03407	3.0
81.07063	3.8
82.07394	0.8
82.95844	0.8
83.08601	1.1
88.96898	2.7
90.94830	10.1
91.05481	2.0
93.07022	2.4
95.04914	0.8
95.08595	1.8
96.08926	0.7
104.96352	0.8
105.07040	1.0
106.48724	0.8
107.08585	1.0
108.08907	0.8
108.95860	5.3
109.06483	0.9
109.10144	1.5
113.96370	1.1
116.96323	1.9
119.08584	1.0
122.10478	0.9
126.98424	1.4
127.03764	0.7
128.00128	0.6
128.96359	2.1
130.97878	1.9
131.97351	1.0
134.97395	2.1
136.95280	1.2
138.98396	2.4
141.77658	0.7
142.97858	1.4
144.95798	1.1
144.99451	2.9
146.97359	2.4
148.98958	4.0
149.00259	0.7
150.58420	0.6
150.96971	0.8
150.98436	1.1
151.02046	3.7
154.97888	3.8
156.99429	2.2
158.97408	0.8
159.01051	1.9
160.98973	1.5
162.96875	2.1
165.00002	3.3
165.03625	6.8
166.97935	4.2
167.01508	1.0
168.99452	2.7
170.97397	0.9
171.00987	1.2
172.98982	5.3
175.00621	1.1
177.12773	0.7
178.97861	1.8
180.99443	2.2
182.97424	1.6
183.00992	1.6
184.98987	3.8
185.02621	1.0
186.01216	3.3
187.00491	2.6
187.02011	0.9
188.98384	1.0
189.03596	3.2
189.99567	0.8
191.05147	1.0
192.99452	2.0
193.03145	1.4
196.98938	3.0
199.00467	1.5
199.02051	4.1
200.98427	1.3
201.01979	1.0
201.03638	1.5
209.02551	1.0
211.00510	1.0
211.04056	1.0
213.02051	1.3
217.03233	1.2
219.04692	1.5
221.06227	1.0
222.62654	0.7
227.03650	6.3
233.02554	1.3
237.05673	1.9
239.03601	1.5
244.19875	0.7
247.04187	1.7
253.05275	4.5
255.06830	3.7
257.08356	1.4
261.02234	0.8
263.03653	1.4
265.05203	9.6
281.04590	1.8
283.06253	100.0
284.06506	5.8
301.07315	36.7
302.07620	1.5
306.07828	4.9
306.24982	1.5
309.09888	1.6
324.08932	15.9
324.12747	1.1
324.26031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03938	3.3
55.05506	21.0
57.03425	2.4
57.07057	8.0
59.04989	3.1
67.05172	2.3
67.05500	39.9
67.99655	1.7
69.03424	4.0
69.07064	50.9
69.64788	15.2
71.04974	7.1
71.08617	2.8
79.05479	23.8
81.07051	100.0
83.04989	3.7
83.08617	21.2
85.06512	4.8
87.53939	1.9
89.58590	2.0
91.05463	12.7
93.07042	41.3
95.04975	3.7
95.08601	92.3
97.06509	9.2
97.10160	13.1
98.97541	4.2
99.08073	5.6
105.07030	14.4
107.08586	46.3
109.06480	5.2
109.10145	47.8
111.08070	5.4
111.11701	5.5
117.07066	3.0
119.08570	16.2
121.09314	2.9
121.10132	42.0
123.08051	13.7
123.11693	21.9
124.08897	4.1
125.09644	11.0
131.08513	5.6
133.10124	13.0
135.08038	3.1
135.11644	16.6
137.09607	64.2
137.13245	9.9
139.11157	9.3
139.86424	1.9
145.10060	6.1
147.04340	2.0
147.11667	9.4
149.13235	24.8
151.11159	9.1
151.14772	5.6
157.10170	2.1
159.11653	4.2
160.97542	2.0
161.09641	3.0
161.13266	10.6
163.11166	3.6
163.14809	29.9
165.12755	8.7
173.13258	4.4
175.14804	4.0
179.14319	3.9
187.14856	4.0
189.16383	5.7
191.14319	6.5
193.15805	5.9
201.16316	4.4
207.17432	8.1
210.24234	2.1
213.16335	2.1
219.17389	2.8
222.93153	1.9
257.22690	2.7
259.24286	5.5
263.23621	6.1
265.21616	2.4
269.22626	5.3
275.23706	10.9
277.25229	7.4
287.23654	18.6
293.24725	85.4
293.28046	4.7
294.24994	5.5
305.21246	4.1
305.24738	55.2
306.25134	4.0
323.08823	2.7
323.25784	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	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.01881	3.3
55.05507	26.1
56.96569	3.1
57.03428	4.4
57.07073	12.3
57.07290	2.3
59.05003	5.1
65.03940	2.1
66.93203	1.9
67.05504	38.8
69.03428	11.3
69.07066	78.6
69.92336	10.4
70.07365	2.5
71.04993	13.4
71.08627	3.2
79.05489	27.4
81.06573	4.8
81.07054	100.0
81.74670	2.1
83.04967	9.5
83.08611	20.7
85.06532	9.1
91.05477	19.0
91.82217	2.0
93.07039	86.6
95.04975	22.3
95.08601	96.8
96.08934	2.6
97.02878	2.8
97.06537	10.9
97.10145	10.3
99.04439	2.4
99.08090	6.4
105.07021	25.2
107.04949	3.5
107.08592	52.8
109.06516	11.0
109.10148	61.9
111.08066	10.2
111.11713	8.3
117.07032	2.6
119.08575	30.3
121.06514	4.1
121.10135	85.8
123.08054	8.8
123.11702	36.3
123.81624	2.7
125.05932	2.3
125.09611	8.3
126.21748	2.3
127.07537	2.1
127.11154	3.2
131.08569	10.6
133.10117	21.5
135.07976	3.1
135.11679	30.6
137.05983	3.2
137.09595	13.7
137.13242	15.3
137.14166	3.3
139.11177	19.0
141.12869	2.8
143.07030	3.0
143.08580	2.8
145.10100	16.6
147.11685	15.9
149.09610	10.0
149.13263	18.5
151.11192	8.8
153.12718	8.2
155.10606	7.2
157.10092	2.7
159.11681	10.1
161.13234	6.5
163.11166	10.1
163.14821	4.4
165.12740	8.5
167.10657	24.1
173.13237	8.3
175.11188	2.4
175.14844	6.5
177.12738	4.5
177.16373	3.2
181.12216	6.8
185.13258	3.3
187.14809	14.6
188.15163	2.1
189.16371	4.8
195.13808	3.0
199.11560	2.8
199.14801	3.7
201.16370	3.0
205.15907	2.6
213.16406	3.5
215.17857	2.2
235.20525	3.6
243.21149	2.5
245.22792	3.3
249.18500	3.3
258.00278	2.9
269.22528	6.2
277.25281	2.5
287.23727	13.9
299.99655	2.2
305.11642	2.4
305.21228	4.9
305.24661	30.7
314.13818	5.4
323.09088	5.1
323.14902	3.3
323.18237	2.7
323.25803	56.5
324.26044	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03953	2.2
55.05507	22.8
57.07063	6.5
59.04989	8.7
65.03944	2.5
67.05504	34.6
69.03416	12.0
69.07065	58.9
69.68336	3.3
69.68742	13.6
71.04990	25.4
71.08625	3.6
77.03953	2.3
77.63174	2.3
79.05486	35.0
81.07053	100.0
83.04974	9.8
83.08615	14.3
85.06529	6.1
89.51379	2.0
91.05470	16.5
93.07036	87.8
95.04958	28.6
95.08599	92.6
97.06506	12.6
97.10145	6.7
98.20755	4.7
98.97562	2.9
99.04382	2.3
105.07023	27.0
107.08591	54.9
109.06496	10.5
109.10151	60.4
111.08064	8.1
111.11713	11.1
116.55050	2.1
117.06998	3.1
119.08577	26.4
121.06507	2.4
121.10139	96.9
123.08044	6.6
123.11707	40.2
125.05987	5.0
125.09631	2.4
127.11212	2.8
131.08565	6.9
133.10120	18.0
135.11688	38.4
137.09604	10.0
137.13260	15.2
139.11208	13.3
145.10121	12.2
147.11671	16.1
149.09587	3.8
149.13254	14.2
151.11169	5.6
153.12727	12.3
155.10641	2.9
159.11691	9.4
161.13254	8.0
163.11223	16.0
163.14772	2.2
165.12738	5.2
167.10674	10.0
173.13260	5.0
175.14781	5.4
177.12762	4.3
177.16336	2.6
179.10452	2.5
179.14282	2.0
181.12227	20.2
184.37402	2.3
199.14780	2.9
201.16345	2.8
203.17877	2.7
213.16336	2.7
217.19400	3.6
218.89537	2.3
223.17668	2.2
255.84798	2.8
263.10458	3.2
269.22644	4.8
276.07391	2.0
283.06116	3.0
287.23627	8.1
293.24774	2.9
305.24661	21.7
323.09195	4.2
323.25858	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.00170	1.2
53.03936	2.3
55.01857	3.9
55.05257	2.2
55.05506	35.8
56.96544	3.2
57.03427	3.6
57.07068	24.1
59.04982	5.1
65.03934	2.3
67.02707	1.2
67.05499	46.9
69.03418	15.2
69.07063	98.7
70.07385	1.5
70.45563	5.0
71.04994	9.2
71.08620	7.2
79.05486	17.6
81.03416	3.0
81.07050	100.0
82.07409	2.5
83.04968	4.7
83.08610	65.2
85.02892	2.6
85.06527	6.6
87.04519	1.6
91.05467	15.3
93.07033	57.6
95.04422	2.1
95.04966	17.7
95.08598	91.8
95.64442	1.3
96.08936	2.4
96.83900	1.4
97.02910	1.8
97.06538	10.4
97.10165	17.2
98.76935	1.3
98.97588	5.1
99.08076	2.3
102.43906	1.3
103.05481	1.4
105.07022	33.8
107.08588	64.4
109.02879	2.6
109.06522	11.0
109.10147	80.5
111.04409	1.4
111.08077	10.1
111.11700	6.0
113.05978	2.2
113.09666	2.3
116.98631	3.0
117.06986	2.8
119.07785	2.5
119.08573	34.9
121.06492	4.4
121.10132	52.3
123.04352	1.5
123.08043	6.5
123.11695	25.7
125.05993	4.5
125.09621	4.1
125.13215	1.9
127.03944	2.5
127.07516	1.5
128.06303	1.4
129.12689	1.5
131.00259	1.4
131.08539	9.0
133.10120	49.5
134.99635	4.4
135.08083	2.9
135.11681	27.2
135.51126	1.4
136.11984	1.5
137.05978	4.2
137.09601	61.7
137.13220	14.0
139.07559	1.8
139.11169	6.7
143.08495	5.3
145.10106	6.7
146.07294	1.4
147.04390	2.2
147.08032	11.1
147.11670	19.9
149.09570	8.9
149.13243	28.4
151.11151	4.4
151.14825	3.5
153.09097	3.8
155.10612	2.4
157.10136	6.9
157.12276	2.0
158.58720	1.6
159.11707	4.6
161.09596	51.8
161.13257	11.3
163.11134	6.4
163.14783	8.3
165.09094	39.2
165.12758	4.9
165.16335	2.3
167.10675	20.9
167.14314	5.0
169.10109	1.4
171.11705	3.2
173.13289	5.3
175.11208	12.1
175.14819	13.5
177.00699	2.6
177.12775	1.9
177.16393	6.6
179.10658	26.8
179.12173	2.5
179.17914	2.6
181.12233	7.1
185.13277	2.0
187.14738	2.9
189.12804	2.1
189.16368	7.1
191.14516	1.4
191.17926	5.1
193.12241	18.3
193.13945	2.4
193.15834	7.9
195.13724	1.5
199.14824	4.0
201.11070	1.4
201.16350	1.4
203.14284	3.1
203.17953	4.1
205.19438	2.9
207.13826	2.7
207.17413	1.7
209.18996	7.6
211.13295	2.2
213.16362	3.9
217.15973	2.4
217.19482	1.8
219.17407	2.0
221.15349	3.7
229.19443	2.0
231.17355	3.3
235.16833	3.8
245.22644	19.0
247.13344	1.8
249.18465	4.4
259.24207	12.2
261.25739	2.0
263.10703	1.8
263.23694	1.8
269.22690	11.8
277.25302	4.8
278.10422	1.3
287.23700	21.8
305.24731	46.6
306.25046	1.7
321.25446	1.5
323.05496	1.8
323.09015	3.7
323.12582	2.8
323.25781	98.8
324.26132	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	323.2581
Annotation	Gypopinifolone
Peak:m/z	Relative Intensity
53.03944	1.5
55.01831	1.8
55.05510	10.6
57.07058	4.4
65.03923	3.6
67.05501	90.1
69.07063	12.9
71.04984	2.8
71.08619	1.5
71.63131	2.0
79.05485	20.8
81.07053	100.0
82.07396	2.2
83.08614	9.8
85.06542	2.9
87.04484	1.4
91.05473	11.9
93.07040	31.4
94.07353	1.5
95.04994	2.0
95.08603	79.6
96.08907	1.5
97.06524	4.1
97.10156	3.0
99.08064	2.0
105.07022	11.1
107.08592	21.3
109.10152	49.0
111.08064	2.9
116.98622	1.9
117.07005	5.4
117.94807	1.4
119.08582	9.1
121.10139	21.9
123.11697	30.2
131.08539	14.5
133.10120	10.6
135.11678	15.1
137.09636	4.0
137.13278	10.4
145.10127	7.9
147.11746	6.4
149.09671	2.3
149.13249	11.5
151.11151	3.3
151.14818	4.8
154.32939	1.3
159.11644	6.8
161.13240	4.8
163.14822	7.6
165.12720	1.6
171.17996	1.2
173.13249	9.7
175.14836	3.4
177.16360	3.7
179.14450	1.3
181.52861	1.2
185.13188	1.5
187.14842	6.0
201.16464	3.2
205.15866	2.0
210.90988	1.5
215.17949	1.7
219.17517	2.5
236.92696	1.4
243.21065	17.8
258.99954	2.3
261.22128	52.2
262.22421	3.0
274.40433	1.3
277.00824	1.9
305.24759	3.2
323.25815	48.6
324.25543	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03938	1.7
55.01865	3.2
55.05259	1.2
55.05509	19.1
57.03427	1.2
57.07061	1.0
62.06086	29.1
63.06416	2.8
67.05502	16.0
68.05815	2.3
69.03423	3.9
69.07066	15.4
69.58832	2.0
69.59251	3.7
71.04990	0.7
79.05486	13.2
81.03410	2.2
81.07053	17.9
81.08028	0.8
82.07404	1.0
83.04983	1.9
83.08607	8.2
84.55609	0.7
85.06539	1.3
88.10269	0.9
91.05475	8.6
91.47366	0.7
93.07040	12.6
94.07364	1.3
95.04966	4.1
95.08599	13.2
96.08939	1.1
97.02879	3.0
97.06514	1.9
97.10159	19.0
98.21484	1.1
105.07022	6.5
107.04958	3.7
107.08594	11.3
109.06461	1.1
109.10155	6.0
110.10480	1.2
111.08125	1.0
117.06998	2.8
119.04938	0.8
119.08567	7.4
121.06496	1.5
121.10125	4.2
123.08076	3.2
123.11691	1.4
125.09627	11.8
129.07005	1.7
131.08574	5.3
133.06523	1.5
133.10123	3.3
134.99683	1.0
135.08075	3.8
135.11694	2.3
137.09630	2.1
142.07782	1.0
143.08592	1.7
145.10095	3.3
147.08093	3.2
147.11703	2.5
149.09662	0.9
149.13254	1.4
153.09103	2.1
157.10075	1.1
159.11642	1.5
161.09621	1.5
161.13339	0.8
162.10387	1.0
163.11078	1.0
165.09091	1.7
173.13239	1.0
175.11133	1.5
183.11623	0.7
187.13295	0.7
189.11314	1.3
203.12756	7.0
205.12297	1.4
223.13242	10.3
223.16747	0.7
237.14664	1.7
255.17227	1.2
262.22318	1.8
271.89566	0.8
273.18442	7.0
277.00726	1.6
291.19528	100.0
292.19873	1.0
295.26254	0.8
305.21106	19.7
305.24481	1.2
305.26868	1.2
323.22147	2.8
323.27399	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01876	0.4
56.83117	0.3
59.81672	0.3
65.03957	0.4
65.30704	0.3
67.05508	0.5
69.03420	0.4
69.07078	0.4
69.48263	2.7
77.03904	0.6
79.05511	0.7
81.07057	1.1
83.04978	0.3
85.02905	0.6
89.03916	0.4
91.05463	2.6
93.07033	2.2
94.06550	0.3
95.04966	1.1
95.08615	0.5
96.08129	1.1
97.02882	0.3
98.21432	0.6
105.07028	0.3
107.08593	0.4
108.08125	1.2
109.10136	0.3
110.06025	1.6
117.03380	2.2
119.04914	0.4
122.06028	2.5
124.07587	8.9
125.07967	0.3
126.05520	1.5
131.08545	0.4
136.07571	100.0
137.06013	0.3
137.07933	2.7
138.09157	1.4
139.05013	0.6
140.07007	1.7
140.32654	0.3
142.08623	14.5
143.09010	0.3
144.10110	0.5
145.02826	6.1
145.35863	0.3
146.06023	0.5
147.06557	0.3
149.05960	1.0
150.05544	0.6
152.07083	3.6
154.08623	60.6
155.08987	1.8
156.10136	1.6
161.05994	0.4
164.07057	64.2
165.07434	2.1
168.06607	0.5
170.08128	4.0
177.05464	12.4
182.08122	23.6
183.08444	1.1
195.11351	0.5
201.05502	0.4
287.13635	0.3
305.11258	0.9
305.14828	5.1
323.12347	2.3
323.15958	9.8
324.10526	3.6
324.15781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	2.5
55.05510	1.2
67.05501	1.2
69.03416	0.7
69.07061	1.4
69.88141	0.9
69.88555	2.0
72.04523	0.7
77.03930	0.5
77.50079	0.5
79.05478	3.2
80.05022	0.7
81.05794	2.0
81.07043	4.1
83.04985	0.8
84.04498	2.6
85.06537	1.5
91.05466	2.7
93.07033	2.0
94.06576	1.0
95.04974	1.3
95.08592	2.3
96.08121	10.5
97.06555	0.6
103.05472	0.8
105.07014	1.9
106.06554	1.2
107.04932	0.7
107.08586	1.2
108.08119	0.5
109.06537	0.7
109.10151	1.1
112.34081	0.4
119.04942	2.2
119.08615	1.0
121.02847	4.0
121.10138	1.0
122.06059	0.8
123.08112	0.5
123.11656	0.8
124.07583	37.0
125.07951	0.9
126.05499	7.3
131.04901	0.8
133.10101	0.7
135.11720	0.6
136.07567	59.4
137.05986	1.3
137.07901	1.5
138.09145	2.0
140.07045	2.0
144.06551	2.7
145.02844	1.3
147.11630	0.5
148.05223	0.5
149.02316	0.7
149.05945	0.9
149.13234	0.6
151.07561	0.4
161.05991	0.7
164.07054	100.0
165.01834	0.6
165.07399	3.4
167.03395	0.9
177.01717	0.4
177.05444	3.2
182.08115	94.6
183.08444	3.0
187.03888	0.7
190.02554	0.6
195.02885	0.5
195.06569	0.5
205.01350	2.3
205.04939	3.0
254.60309	0.4
260.12625	0.5
267.06479	2.3
267.49738	0.4
279.06531	1.4
279.89334	0.4
280.07220	0.7
281.08170	0.8
283.05917	1.5
288.12427	0.6
295.05988	1.9
295.09616	4.9
296.09821	0.5
305.08002	1.9
305.11725	0.8
306.08185	0.7
306.13239	0.9
307.05875	0.7
308.06717	3.9
323.05478	10.1
323.09058	66.1
324.05673	1.6
324.09335	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	323.1275
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
50.49944	0.5
55.05489	0.6
62.20588	0.6
63.28703	0.5
67.05494	0.7
69.07047	0.7
71.62994	0.7
79.05481	0.7
79.75330	0.6
80.40996	0.6
81.07037	1.8
91.05467	2.9
93.07096	0.6
95.01283	0.6
95.08590	1.4
97.06508	0.5
98.97573	0.9
105.03336	0.8
105.07040	1.3
107.08513	0.8
109.06516	1.8
116.98595	1.2
117.07050	0.8
119.04919	2.4
119.08559	2.1
121.10094	0.7
128.06207	0.6
129.06985	2.1
131.08511	0.6
133.02861	0.9
134.99664	0.6
147.04417	4.4
147.08035	5.1
149.02336	1.6
151.03886	2.4
153.05487	0.7
157.06459	0.9
161.02332	11.0
161.05956	3.9
163.03929	2.2
167.03421	4.7
169.06293	0.7
169.07634	0.5
175.03920	1.8
175.07527	2.3
185.05991	5.6
188.04665	1.1
197.06078	0.6
203.07024	100.0
204.07333	2.8
221.08185	0.7
239.07004	1.3
241.25325	0.6
258.99661	0.9
267.06641	2.7
275.23117	0.6
277.00797	2.3
300.02386	0.7
305.21454	0.8
323.12762	62.5
324.13187	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	8-Prenyldaidzein
Peak:m/z	Relative Intensity
55.01867	4.1
55.05486	1.1
56.96564	1.0
57.03453	0.7
57.07063	0.4
67.05495	1.9
69.03419	0.7
69.07064	5.9
71.04976	0.5
71.43160	0.9
79.05460	1.4
81.07057	3.5
83.01340	5.0
83.04964	0.4
83.08601	1.0
85.02921	0.5
85.06476	0.5
91.05477	1.5
93.07037	2.7
95.04971	0.9
95.08591	3.7
97.06518	0.9
97.10128	1.0
98.97583	1.2
101.02370	0.7
105.07028	1.7
107.04905	1.1
107.08604	2.2
109.10149	2.9
111.11699	0.5
115.05440	0.4
116.98591	1.2
117.06997	0.5
119.04934	0.8
119.08576	2.0
121.02869	0.6
121.10137	2.1
123.04400	0.7
123.08070	0.4
123.11700	1.1
127.91069	0.4
133.10123	1.9
134.99683	1.2
135.11714	1.1
137.02223	1.2
137.09569	0.6
139.11111	0.5
141.07008	1.5
145.10066	0.7
147.04408	4.1
147.11676	1.2
149.13261	1.2
153.06989	1.7
155.08533	1.8
157.06407	0.7
157.10121	0.6
159.04495	0.7
160.05104	0.5
161.09650	0.6
161.13225	0.6
163.14766	0.9
165.01698	0.9
165.06989	5.9
167.08510	0.6
169.06525	0.7
171.04399	0.6
175.07578	1.8
181.06435	0.6
183.08064	3.4
185.05974	2.0
193.06432	0.5
195.08090	1.0
197.05969	8.6
198.06548	0.5
206.04364	1.4
210.06715	1.0
211.03931	3.5
211.07541	9.6
213.05473	4.1
221.05965	8.4
222.06709	2.4
223.07538	1.2
225.05406	1.0
226.06186	0.9
234.21394	0.6
237.05463	1.0
238.06134	0.8
239.07036	17.1
240.07532	0.7
249.05533	2.8
250.06177	1.2
253.04990	1.2
253.08546	2.5
254.05737	13.6
258.99750	0.6
259.24213	0.9
263.06906	1.4
267.06516	100.0
268.06812	3.5
272.97717	0.5
277.00848	0.7
277.25223	1.2
279.06525	1.1
280.07303	6.5
281.08041	2.6
295.13376	0.6
300.07813	0.5
305.07047	0.4
305.24713	2.5
309.09985	0.6
323.05118	0.7
323.09003	1.3
323.12750	10.7
323.22281	0.6
323.26086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	Erypoegin H
Peak:m/z	Relative Intensity
55.01849	2.7
55.05495	3.7
56.96559	3.2
57.07056	1.8
65.94862	1.1
67.05482	4.0
68.99792	5.3
69.03421	2.1
69.07066	9.2
69.20712	1.2
70.37916	3.4
71.04954	1.2
71.63647	1.0
79.05481	2.9
80.19302	1.0
81.07061	9.2
83.01336	1.9
83.04965	1.2
83.08594	2.8
85.02908	1.8
85.06565	1.1
91.05468	4.5
93.07024	5.2
94.95478	0.9
95.04979	1.9
95.08617	7.9
97.10156	1.3
98.21497	1.3
98.97573	3.7
104.72752	1.1
105.07011	4.4
107.04932	4.2
107.08545	5.8
109.06457	1.6
109.10130	4.0
115.05457	1.4
116.98602	2.3
117.07064	1.2
119.08572	3.6
121.06504	1.3
121.10128	6.1
123.04428	2.9
123.08092	1.9
123.11658	3.1
125.05915	1.1
128.06209	1.8
129.07053	1.6
131.08542	1.8
133.10101	4.4
134.03540	1.4
134.99637	3.1
135.04399	5.1
135.11670	3.0
137.02283	1.6
137.05968	2.5
137.09593	2.8
141.06982	3.6
143.08537	1.3
145.10199	1.4
147.04399	6.5
147.11711	2.1
149.09560	1.3
149.10768	1.1
153.06944	2.8
155.08549	3.3
157.06523	1.6
159.11655	2.2
161.05948	1.4
161.09547	1.4
163.03891	6.0
165.05673	1.6
165.06981	8.0
168.05740	1.3
171.04364	2.0
175.07510	1.2
175.14844	1.4
177.00725	1.5
181.06503	1.2
183.08015	3.1
185.05986	6.3
185.09573	2.8
187.03983	1.4
193.06436	3.1
197.05962	24.9
198.06674	3.5
199.07544	10.2
210.06688	2.1
211.07526	11.2
213.05486	7.6
213.09039	1.2
221.05914	3.7
222.06880	1.4
223.07491	1.4
223.18823	2.4
225.05429	4.7
237.02869	1.8
238.06310	2.1
239.06993	21.4
249.05586	2.6
250.06235	9.5
251.06856	1.6
253.08505	2.7
254.05676	6.8
263.06955	2.4
263.10397	1.0
266.05637	1.4
267.06509	100.0
268.06854	5.3
277.00885	2.3
277.21646	1.5
279.06564	2.0
280.07291	14.8
281.07971	3.2
287.23624	1.4
294.07803	1.6
295.13354	2.1
305.24634	3.7
323.12729	86.3
323.18506	4.4
323.27808	2.5
324.13049	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16254	1.6
51.94001	1.5
53.18047	1.6
55.01859	3.5
56.96551	3.8
57.03425	3.1
61.02918	7.6
67.05476	2.0
69.03410	3.6
69.07064	2.9
70.11198	3.3
70.11609	6.0
70.73315	1.7
71.01331	1.8
71.04966	1.6
71.59065	1.7
72.15398	1.9
73.02909	4.1
79.05473	2.5
81.03401	3.4
81.07064	2.0
81.35516	1.6
83.04938	1.8
85.02902	10.4
89.03940	1.5
97.02872	2.5
98.97557	2.1
103.05447	8.6
107.04938	4.6
109.02851	2.3
115.05463	6.3
116.98616	3.0
117.03387	4.2
117.07006	3.3
123.04408	6.2
129.07010	2.9
131.04926	17.1
133.06432	2.2
134.99649	2.3
135.04405	19.5
137.02322	9.7
141.06952	6.4
143.04903	3.5
144.07492	1.9
145.02831	5.1
145.06488	3.7
146.99620	2.4
147.04382	10.3
149.05948	12.0
151.03902	1.8
153.07048	2.0
155.04922	5.1
157.06496	5.9
159.04399	7.8
159.08130	1.8
161.02377	3.4
161.05939	5.8
163.03891	57.5
165.01839	2.0
169.06503	9.7
171.04424	5.6
173.05943	10.1
175.03893	11.4
175.07468	1.8
176.04869	2.1
177.00729	1.9
177.05453	42.1
179.03491	2.1
183.04434	4.5
185.05984	7.1
187.03925	6.5
187.07460	1.9
189.05463	22.1
191.03404	7.4
191.07031	2.0
193.04941	11.1
197.05917	9.8
199.03937	4.9
201.05440	18.5
203.03365	9.6
203.07021	3.4
205.04947	100.0
207.02858	5.7
213.05484	12.3
214.05930	2.0
215.03336	4.1
215.07014	9.7
217.04933	35.9
219.06572	3.2
225.05424	2.5
229.04918	9.4
231.06546	7.4
241.04947	5.7
243.06541	8.1
245.04507	9.8
247.06064	3.5
259.05994	15.2
277.06985	12.4
287.05493	4.6
295.08228	1.9
305.06558	6.0
323.07581	41.0
323.11957	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03965	0.5
55.05510	5.2
57.07074	1.3
60.04514	1.0
62.06087	100.0
65.03915	0.5
67.05502	16.1
69.07069	4.6
71.04983	0.7
79.05490	9.4
81.07055	16.1
83.05007	0.5
83.08624	1.9
91.05474	5.4
93.07037	10.8
95.04970	0.7
95.08602	12.4
97.06538	0.7
97.10168	1.5
98.06073	0.5
99.04472	0.4
105.07035	2.9
107.08601	7.0
109.06493	0.7
109.10148	5.6
111.08100	0.6
116.71425	0.4
117.06998	0.9
119.08572	2.1
121.10136	5.7
123.08090	0.7
123.11677	2.3
125.09641	1.1
130.08665	0.5
131.08609	1.9
133.10159	1.4
135.11676	2.8
137.13295	1.1
144.10248	0.5
145.10127	1.7
147.11702	1.3
149.09625	0.5
149.13258	1.6
151.14781	0.4
158.11749	0.6
159.11694	1.2
161.13268	1.1
163.14799	1.4
172.13332	0.7
173.13280	0.9
177.16342	1.3
177.57884	0.4
184.13351	0.4
186.14949	1.0
187.14818	0.7
200.16582	0.9
212.16521	0.5
214.18008	0.8
223.13475	0.7
226.18192	0.6
228.19785	0.6
229.56516	0.4
229.59253	0.5
243.21016	2.2
261.22168	3.4
273.18369	0.5
291.19562	5.6
291.22556	0.7
292.15366	0.5
304.26291	2.1
305.21127	1.2
305.24783	2.0
322.27393	13.8
323.27734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73999	0.4
53.01834	0.4
53.03933	1.5
55.01855	2.1
55.05498	1.6
56.05019	1.3
56.96565	9.1
57.03434	4.8
58.06579	0.4
59.04979	0.5
60.04490	0.7
60.95834	0.6
61.02923	3.3
67.05499	1.0
68.05021	0.5
69.03078	0.6
69.03424	8.4
69.07053	1.3
70.03753	0.6
70.06570	2.1
71.01333	0.4
71.04977	2.0
71.59293	0.7
72.08164	0.9
73.02914	6.5
74.06066	1.0
74.97598	0.6
76.02206	0.6
79.05476	1.3
79.39104	0.5
81.03419	4.1
81.07053	3.0
82.06560	1.2
83.04977	1.1
84.04499	42.6
84.08167	0.9
84.96014	1.1
85.02901	18.9
85.06528	1.0
86.06093	0.5
86.09695	0.5
87.04453	2.0
90.05547	0.9
91.03940	1.7
93.07024	0.5
95.04939	0.6
96.04462	0.8
96.08114	2.0
96.52524	0.5
97.02892	8.0
97.06540	2.5
98.06058	5.6
98.97571	7.3
99.04439	3.0
100.03957	0.7
100.07645	0.6
101.06000	0.7
102.05527	1.0
107.04936	0.8
109.02864	1.9
110.06017	0.9
110.97560	1.0
111.04418	0.7
112.07594	0.7
112.99058	0.6
114.09175	1.3
115.00666	0.6
115.03933	0.9
115.07599	0.5
116.07084	0.9
116.98606	6.3
119.01875	1.2
119.04961	0.5
119.08624	0.4
124.07586	6.0
125.05983	2.2
126.05472	1.2
127.03920	4.5
128.02348	1.3
128.07101	0.5
128.98582	3.3
130.04951	1.5
131.00194	1.6
131.05081	0.6
133.01695	1.1
133.03424	0.6
134.99644	3.8
136.06152	0.5
137.05965	1.3
139.03897	1.9
140.02286	0.6
142.08630	15.3
143.00206	1.1
143.06975	0.7
144.06488	0.5
144.98056	0.7
145.04951	3.3
146.99651	3.7
147.04405	0.9
149.01215	1.7
150.99034	0.5
154.03830	0.5
157.01610	0.8
158.02634	0.6
158.99670	2.2
160.09682	100.0
161.01183	2.1
161.03038	0.4
161.04655	0.8
161.10016	1.4
162.99144	0.9
163.02704	0.9
164.05080	0.5
165.00714	0.9
168.05426	1.5
169.04375	1.0
170.05205	1.5
170.99693	0.9
173.03096	0.5
175.02747	1.9
175.04185	0.6
177.00728	3.9
177.04263	2.0
177.05602	1.0
178.04771	0.9
179.02237	1.3
181.00186	0.6
183.06746	0.5
184.09653	0.8
189.00706	1.9
189.04292	0.7
190.08591	0.5
191.02170	0.9
193.00174	1.0
193.03806	1.5
195.05367	0.7
197.03108	1.0
201.00687	1.2
203.02222	0.8
203.57646	0.5
205.03777	1.1
205.05486	0.9
214.05959	0.8
216.99965	0.6
219.01802	3.8
219.05202	0.6
220.02122	0.6
223.01218	1.1
226.05858	0.7
237.02812	8.1
238.03235	1.0
241.06261	3.1
241.08443	1.8
242.07214	1.2
245.06737	0.9
247.05954	0.9
250.07034	0.9
260.04398	0.5
261.02661	0.7
263.00806	0.7
263.04648	0.6
281.01575	0.5
299.02310	0.9
305.01697	0.8
305.11398	0.6
309.08490	0.7
321.08670	0.8
322.11108	2.7
322.15155	2.3
322.18500	1.1
323.12100	0.9
339.09766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01868	1.0
55.05499	1.5
56.05023	0.6
56.96286	0.5
56.96556	6.4
57.03429	4.2
57.07050	0.4
58.70969	0.3
59.04959	0.3
61.02927	3.5
65.55513	0.3
67.05501	0.5
68.05024	0.3
69.03069	0.5
69.03423	7.7
69.07051	2.6
70.06586	10.4
70.66885	0.9
70.67268	0.5
71.04987	1.4
72.04475	0.3
72.75578	0.3
73.02913	7.8
76.02225	0.5
79.05470	0.4
81.03413	3.3
81.07056	0.5
82.06559	0.5
83.04951	0.5
84.04502	4.1
84.08141	0.9
84.96017	0.8
85.02899	15.8
85.06532	0.5
86.03238	0.4
86.06067	0.4
87.04464	1.7
88.07634	0.5
90.05554	0.4
91.03947	1.1
93.07048	0.4
96.08118	9.2
97.02880	6.5
97.06522	0.8
98.06039	1.0
98.97575	7.2
99.04450	1.4
100.07613	0.5
100.99142	1.7
101.00848	0.9
102.00945	0.6
109.02888	2.0
110.96895	0.3
110.97552	1.7
112.07600	0.3
112.99081	0.6
114.05507	1.6
114.09158	21.4
115.02397	0.3
115.03905	1.0
115.09536	0.4
116.02482	0.5
116.07072	0.6
116.98617	4.3
119.00181	0.8
119.01888	2.6
120.01993	1.8
121.01669	0.8
121.03497	0.3
121.10174	0.3
124.07574	1.1
125.05994	0.5
127.03908	4.0
128.07086	1.0
128.10683	0.3
128.98584	2.5
131.00165	1.5
131.01894	1.6
132.02042	0.9
133.01642	0.5
133.03433	2.0
134.03563	2.3
134.99640	1.8
135.03194	0.8
137.02942	0.5
138.03065	0.5
140.07082	0.6
141.03935	0.3
142.03206	0.4
142.08615	8.5
143.00154	0.9
143.01900	1.1
144.01985	0.5
144.98088	0.6
145.01691	0.5
145.03506	2.0
145.04910	2.4
146.03662	0.5
146.05974	0.5
146.99641	2.8
147.03218	0.5
147.05013	0.4
148.05096	0.7
149.01202	1.4
149.02892	0.4
150.99141	0.3
151.04424	0.5
152.04735	0.5
153.04181	0.4
155.01889	0.9
156.01930	0.7
156.10199	0.6
157.03482	1.5
158.03694	0.5
158.08160	0.4
158.99652	1.7
159.03238	0.4
159.05028	1.6
159.06310	0.4
160.09679	100.0
161.01280	1.6
161.02945	2.1
161.04567	0.7
161.10022	1.5
162.03046	0.8
162.99142	0.8
163.02760	0.6
163.04529	0.4
165.00728	1.7
170.05138	0.3
170.99619	0.6
171.05020	0.6
172.05153	0.8
172.97618	0.9
173.01469	0.5
173.02959	1.9
174.03142	1.2
175.02769	0.9
175.04509	1.7
176.04707	0.5
177.00719	2.2
177.04262	0.5
177.05995	0.5
178.04889	1.2
178.06277	0.6
179.02211	0.6
183.01749	1.3
183.05089	0.6
184.05101	0.8
184.09669	0.8
185.02956	0.6
186.03123	0.4
187.04437	0.6
188.00978	0.3
188.04716	0.4
189.00764	1.7
189.02246	0.5
189.06073	0.8
189.55838	0.4
190.02815	0.3
190.06137	0.6
190.98611	1.9
191.02336	0.7
191.04053	0.8
192.04332	0.4
193.00206	0.5
193.03957	0.4
193.05640	1.2
195.01730	0.5
195.05405	0.3
196.07225	0.4
197.03099	0.5
198.03120	0.5
198.04700	0.4
199.04466	0.5
200.04594	0.6
201.00690	0.9
202.06023	0.3
202.10732	0.5
203.02225	0.4
203.03993	1.2
204.04131	0.6
205.03780	0.6
207.01764	2.2
207.05147	0.4
208.99690	2.3
209.02977	0.4
213.23715	0.3
217.00150	0.3
217.05644	0.3
219.01776	2.7
219.07152	0.8
220.07294	2.7
220.99789	0.3
221.05060	2.1
221.06981	0.7
222.05194	2.1
223.04843	0.4
224.57849	0.4
225.02800	0.6
225.07202	0.4
226.05991	0.5
231.07123	0.9
232.07356	3.0
232.99672	0.5
233.06982	0.9
234.08885	0.4
237.02779	3.0
242.07285	1.6
244.99657	1.3
245.05095	1.7
246.05330	2.4
247.04758	0.5
247.06921	0.4
248.03088	1.1
251.00566	0.3
251.04312	0.5
256.07239	1.2
257.05005	0.6
260.06741	0.4
261.02869	0.8
262.08432	0.8
263.00720	3.3
263.06128	1.3
264.06302	0.4
269.05396	1.1
273.08054	0.4
274.08444	1.0
279.03885	0.8
280.09351	0.7
281.01782	1.3
281.05182	0.6
286.12869	0.9
287.06158	0.6
304.09540	0.4
305.01794	1.6
319.08884	0.3
321.10327	0.6
322.10834	18.9
322.15027	13.7
323.02878	0.6
323.06958	1.7
323.10217	5.9
325.17337	0.3
337.07971	0.4
341.07510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75464	0.5
56.96446	11.6
56.96766	4.8
60.13691	0.5
66.01362	0.5
67.05397	0.8
69.38793	2.0
69.39217	3.7
70.98047	1.0
74.97515	0.6
75.96407	0.5
88.07513	0.7
88.99028	0.6
98.20736	1.1
123.01060	0.7
139.00572	1.1
141.02115	1.0
153.02225	1.1
157.01593	2.2
159.03185	0.7
159.93517	0.6
167.03677	0.9
169.01659	1.1
171.03313	4.9
173.04784	0.7
175.02689	0.7
181.01547	0.6
183.03194	0.9
185.04813	5.2
187.02652	0.8
189.04344	3.3
195.06784	1.5
201.04263	1.0
203.05829	3.1
203.47235	0.6
207.06979	0.7
211.06277	2.3
212.20168	0.6
213.07867	1.8
219.06856	1.1
221.08421	1.4
223.06430	0.7
223.10030	2.4
224.17986	0.6
229.07399	1.5
231.06995	3.6
231.08836	1.0
237.07855	2.3
239.09529	2.6
241.11052	1.4
249.08000	4.3
255.08878	1.0
257.10513	2.2
258.99765	0.6
267.06442	7.0
267.09018	17.0
281.10590	17.1
285.07123	1.2
285.10089	13.7
290.10532	3.1
299.11661	100.0
300.12051	3.7
303.11139	0.8
308.11731	1.3
317.12717	14.1
322.13287	24.1
322.31177	1.3
323.12885	6.8
340.14371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43517	1.4
56.59975	1.4
56.96562	94.5
67.05508	2.0
70.98115	16.8
71.61058	2.8
71.95257	3.0
74.15737	1.3
74.97617	5.1
80.32942	1.8
88.99153	15.6
90.95730	1.3
92.98658	2.8
94.47186	1.7
97.99144	1.8
98.97533	1.6
105.00109	1.7
107.00185	7.0
111.84282	1.6
116.98628	2.1
130.01755	1.8
134.99651	1.9
141.02185	2.2
147.03273	2.6
150.33331	1.5
155.03737	1.5
157.01723	1.8
159.03302	9.7
164.39214	1.6
169.05382	3.5
171.03302	5.4
173.04843	18.3
177.04344	2.4
185.04855	5.0
187.02763	3.2
187.06409	22.8
189.04379	3.1
191.05887	15.0
196.06461	3.6
203.05719	1.6
205.07487	12.7
210.08031	2.5
213.08171	2.4
219.08981	3.2
221.08472	4.0
223.10043	33.9
225.11586	4.0
228.09074	2.4
239.09512	8.8
241.11098	42.9
243.12595	1.7
255.09073	2.2
255.12781	3.7
257.10681	1.5
259.12234	8.3
264.12766	11.0
273.09995	2.0
273.13818	2.3
277.00732	5.8
281.10635	9.4
287.11688	1.5
288.50690	1.8
299.11646	100.0
300.02341	1.6
317.12708	82.5
318.12961	2.5
322.07449	1.9
322.13245	26.4
323.12787	3.1
340.14359	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	321.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	0.2
56.96558	3.2
60.04498	0.2
61.02899	0.4
71.60995	0.3
71.95255	0.3
82.99860	0.2
94.47202	0.2
98.97576	6.6
107.42199	0.2
116.98609	6.9
119.01897	2.0
123.98592	0.3
130.74037	0.2
134.76888	0.2
134.99648	6.0
137.02922	1.2
140.00172	0.2
140.97644	0.2
140.98761	0.4
142.03458	0.8
152.59718	0.2
153.00723	1.0
158.01210	0.6
158.99864	0.5
160.04498	0.3
177.00934	9.8
178.01051	0.7
182.99739	1.6
194.98373	0.2
195.01865	0.3
201.00896	3.9
202.01109	0.3
202.93475	0.2
214.95622	0.2
216.98586	0.2
218.03615	0.2
219.01987	100.0
220.02107	7.2
221.02403	0.6
222.96617	0.2
230.93365	0.4
232.93150	0.6
232.96606	0.2
234.94507	0.8
234.99675	0.7
235.94318	0.8
236.99501	2.1
237.03027	0.5
238.95526	0.3
242.03584	6.7
243.03796	0.6
243.07242	0.2
243.94969	0.7
244.45006	0.4
244.94922	0.5
245.44873	0.2
246.95293	0.2
247.25490	0.2
250.94043	0.4
253.43663	0.4
253.93451	0.4
254.93547	0.3
255.45764	0.3
255.95236	0.6
256.45450	0.4
256.96606	7.8
257.96759	0.8
258.96439	0.4
258.99969	0.3
260.00238	0.2
261.03046	0.4
262.95538	0.5
264.95587	0.4
265.05264	0.3
265.95416	0.3
272.94354	1.1
273.94476	0.4
274.94138	2.0
274.97659	3.4
277.00858	0.4
278.01096	0.5
279.01270	0.2
279.95242	0.2
279.98138	1.2
280.96451	1.2
283.92743	0.4
285.45203	0.3
286.92334	0.2
287.58307	0.2
289.59283	0.2
290.95609	0.6
291.15988	0.2
292.95145	1.8
293.22916	0.2
295.92743	0.7
296.43100	0.9
296.92761	0.4
297.99197	0.3
298.97659	38.2
299.97748	2.7
301.59259	0.4
301.84082	0.2
303.92432	0.6
303.98215	0.4
304.41861	0.3
304.92493	0.2
307.59399	0.3
308.26358	0.3
309.59540	0.3
309.93124	0.3
310.59009	0.3
310.92465	0.4
311.25812	0.4
314.58231	0.3
316.95056	1.5
316.98792	0.7
319.44699	0.3
321.99231	6.1
322.99411	0.6
328.44141	0.4
329.43958	0.3
332.81067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74994	0.6
55.05513	0.7
60.04534	0.9
67.05503	1.8
69.03417	0.8
69.07055	1.4
70.18177	2.3
71.05012	0.6
79.05482	1.9
81.07051	4.1
83.08640	0.9
85.06544	0.7
86.09699	100.0
87.10027	1.2
91.05476	1.5
93.07035	2.8
95.04970	1.0
95.08587	2.9
103.05470	4.0
105.07007	2.0
107.04959	1.1
107.08578	3.2
109.06488	0.7
109.10133	3.0
119.08563	1.7
120.08096	99.6
121.08456	2.4
121.10148	2.7
123.11670	1.3
128.10707	49.1
129.11049	0.8
131.04906	2.8
131.08569	0.7
133.10110	1.1
135.11668	1.5
137.09625	1.6
139.11162	0.6
145.10156	1.1
147.11688	0.6
149.05954	2.5
149.13268	1.1
151.11127	0.8
156.10182	16.5
165.09059	1.1
166.08626	66.4
167.08939	1.5
175.11082	0.7
199.14755	0.7
261.08997	1.5
285.22174	1.5
289.08566	1.3
303.20065	0.6
303.23157	3.2
304.11774	0.5
310.71094	0.6
321.11044	0.9
321.24167	2.6
322.08173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
52.75170	0.8
53.03939	1.9
55.01865	1.7
55.05508	13.2
57.07069	5.5
59.04988	1.2
60.67467	0.7
65.03936	0.8
67.05502	30.9
69.03421	9.3
69.06716	1.5
69.07066	22.7
69.38323	1.2
69.38730	7.0
71.05003	5.2
71.08605	1.5
79.05056	1.0
79.05492	17.8
81.07055	100.0
82.07367	2.4
83.04979	1.9
83.08619	5.4
85.06543	10.7
91.05477	11.2
93.07043	42.4
94.07346	1.1
95.04974	11.0
95.08604	53.4
96.80254	0.7
97.06535	8.6
97.10170	3.2
98.20702	1.4
99.04466	0.7
99.08109	1.8
103.05399	1.0
105.06291	1.2
105.07028	25.4
107.08590	41.6
108.93382	0.8
109.06520	7.6
109.10159	38.1
110.10497	1.4
111.08078	3.8
111.11724	2.4
113.06020	1.4
117.07009	2.8
119.08580	28.1
121.06525	7.3
121.10143	40.9
122.10450	1.2
123.08086	4.8
123.11704	39.2
124.12019	1.2
125.05977	1.4
125.09621	4.6
127.07590	1.1
130.07724	1.0
131.08560	8.6
133.10127	23.6
135.08058	3.6
135.11693	35.8
136.12085	1.1
137.09613	24.2
137.13239	8.4
139.07510	1.0
139.11172	3.4
143.06911	0.9
143.08543	3.2
145.10123	13.6
147.08026	5.7
147.11676	18.5
149.09616	9.7
149.13255	9.4
151.07526	1.0
151.11159	2.0
153.09038	1.4
153.12788	1.1
155.10675	2.2
157.10173	5.2
159.08049	1.2
159.11693	12.2
161.09618	15.8
161.13260	8.3
163.11179	8.6
163.14810	3.0
165.09113	28.0
165.12766	3.1
167.10655	5.8
169.10109	1.1
171.11691	1.9
173.09679	1.5
173.13251	7.0
175.11171	8.2
175.14827	8.1
177.12773	5.8
177.16331	5.1
179.10629	6.0
179.14391	0.9
181.12245	3.5
183.10167	2.0
183.11678	1.9
185.13243	1.9
187.11165	1.4
187.14835	6.4
189.12738	3.2
189.16360	4.6
191.10669	2.2
191.14380	1.5
191.17950	1.6
193.12253	6.5
193.15898	1.5
197.13272	1.2
199.14967	0.9
201.12839	1.0
201.16409	3.4
203.14346	2.0
203.17966	2.3
205.12245	0.9
205.15884	4.0
207.13820	1.7
211.14857	3.1
215.14275	1.1
215.18002	1.5
217.15944	1.4
217.45517	0.9
219.13811	1.0
219.17455	3.1
221.15315	1.2
229.15869	3.4
233.15343	1.2
235.16939	2.2
243.21086	4.7
243.23331	0.8
246.35359	0.8
247.16905	2.6
253.17993	1.2
257.22681	4.1
261.22147	2.7
267.21017	9.8
275.23682	3.4
285.22156	16.1
286.22577	1.4
288.33337	0.8
303.23160	30.1
304.23465	2.5
321.11136	1.7
321.24231	31.9
322.24646	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.133
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
53.03915	0.5
55.01837	1.5
55.05480	1.9
57.03415	0.9
57.07047	0.8
65.03915	0.5
67.05505	3.9
68.99757	1.5
69.03394	1.5
69.07059	2.9
70.89043	1.1
71.04971	1.2
72.03323	0.4
73.06564	0.5
75.57421	0.5
79.05484	6.8
81.03396	1.1
81.07051	7.8
83.04966	1.3
83.08605	0.8
85.02879	1.1
85.06516	1.3
91.05469	2.8
91.25729	0.5
91.83201	0.4
93.07030	7.0
95.04974	3.7
95.08607	5.0
97.06503	1.8
99.04453	5.3
103.05439	2.0
105.03371	0.6
105.07021	6.8
107.04948	11.4
107.08609	3.2
109.06483	2.0
109.10142	4.0
111.04430	3.7
111.08065	1.5
118.04154	3.1
119.08582	3.2
121.06485	5.1
121.10144	3.2
123.04421	57.5
123.08022	0.8
123.11760	2.3
124.05286	3.0
125.05972	2.2
127.03909	5.8
127.07550	0.6
129.06978	0.5
131.04890	1.4
131.08571	1.0
133.06483	75.1
133.10115	2.5
134.06821	2.1
135.11691	2.2
137.05965	2.3
137.09590	2.0
139.07529	9.6
139.11153	0.9
143.08653	0.6
145.10143	1.6
147.11694	1.9
149.05975	11.2
149.09596	1.0
149.13319	0.5
152.04695	1.9
159.08078	2.0
159.11684	1.0
161.05972	34.3
161.09581	1.0
161.13266	1.4
162.06393	0.9
163.07599	0.8
165.09135	1.4
167.07031	100.0
168.07397	2.6
171.11746	0.6
173.13284	0.9
175.11290	0.6
175.14867	0.7
176.04735	0.7
177.05472	0.7
179.10762	0.9
187.07520	1.1
187.14752	0.7
189.16525	0.9
191.07059	1.5
193.08595	17.5
194.09041	0.6
195.10226	0.8
197.08112	1.6
205.08650	0.7
219.10245	2.4
246.06802	0.8
261.09265	2.1
265.84201	0.5
278.52039	0.6
285.22244	1.0
289.08740	1.9
303.12360	2.9
303.22934	2.3
304.12085	0.7
306.08899	1.0
321.13522	18.2
321.21262	0.5
321.24261	3.4
322.13889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.133
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
53.03967	0.8
55.01870	2.0
55.05499	2.0
57.03429	1.5
67.05507	4.4
68.99786	1.3
69.03419	1.8
69.07072	4.9
70.93919	2.2
71.04977	1.8
79.05489	6.3
81.03403	1.2
81.07056	9.0
81.22578	0.6
83.04986	3.0
85.02895	1.5
89.71404	0.7
91.05483	4.4
93.03380	0.8
93.07044	7.1
95.04955	5.1
95.08603	6.5
97.06525	2.3
99.04462	3.5
103.05472	2.5
105.07023	8.7
107.04956	10.0
107.08596	4.0
109.06503	2.4
109.10175	5.0
111.04457	3.5
111.08073	1.9
111.11665	0.6
115.05429	1.3
118.04140	3.6
119.08567	3.3
120.07449	0.7
121.06525	5.7
121.10127	4.3
123.04427	59.9
123.08068	1.3
123.11680	2.1
124.05170	2.1
125.05993	2.0
125.09623	1.2
127.03915	4.1
131.04922	1.4
131.08545	1.2
133.06487	78.3
133.10124	2.7
134.06813	2.1
135.08029	1.6
135.11670	2.7
137.05951	1.4
137.09624	2.1
139.07536	9.3
143.08617	0.9
145.02861	0.9
145.10106	1.9
147.08041	1.1
147.11685	2.5
149.05986	11.9
149.13304	1.1
151.11133	0.9
152.04657	2.2
155.06970	0.9
159.08047	2.2
159.11691	1.8
161.05980	33.5
161.13257	2.9
162.06485	0.7
163.11212	1.1
165.09116	0.9
165.12759	1.9
167.07036	100.0
168.07359	3.9
173.09598	1.1
175.11125	0.9
176.04684	1.3
177.05453	1.5
179.10771	0.9
187.07567	1.9
187.14713	0.8
191.07047	1.5
191.14363	0.9
193.08586	19.0
194.09012	0.7
195.10178	1.0
197.08130	1.2
219.10190	1.9
246.06686	1.0
261.09042	1.4
285.22177	1.4
289.08606	1.2
303.12411	2.0
303.23065	3.8
304.11957	1.1
306.08942	0.8
321.08008	5.0
321.13660	14.1
321.24158	4.7
322.13397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83168	0.3
56.96566	0.4
64.76580	0.3
69.03435	0.9
70.05914	2.0
70.06593	0.7
73.02937	0.7
75.94159	0.4
81.03431	0.4
85.02911	2.2
96.08168	0.4
97.02919	0.9
98.21403	0.5
98.97606	1.3
101.00861	1.9
103.02469	1.5
112.99155	0.4
113.00904	1.2
114.09204	1.7
115.02416	2.4
116.98615	0.9
119.01900	6.2
121.03529	0.5
127.02484	0.4
128.98648	0.4
129.03999	0.9
131.01910	4.8
133.01875	0.5
133.03452	13.7
134.03580	0.6
136.49776	0.3
137.03000	0.9
141.04019	0.7
142.08678	1.4
143.01855	2.2
145.03444	2.6
145.04967	0.4
147.05014	3.2
149.03000	0.4
151.04488	2.5
155.01888	3.9
156.05009	0.4
157.03500	3.0
158.08170	0.5
159.05031	5.2
159.06265	0.5
160.09662	6.4
160.10883	0.4
161.02977	3.5
163.04523	0.4
171.04996	3.5
173.02936	4.8
175.04547	2.0
177.06078	3.1
179.01926	0.8
183.05029	2.8
185.03056	1.4
185.06560	0.8
187.01001	0.8
187.04610	0.4
189.06084	2.1
191.04146	0.5
195.07133	2.3
197.02974	1.9
197.06662	0.4
201.06172	1.4
203.04074	1.6
211.04634	1.1
213.06195	1.2
215.00410	1.2
215.07678	0.4
219.07117	9.4
220.07375	0.7
221.05064	8.0
221.06950	0.5
222.05408	0.7
225.06215	0.7
231.07118	10.5
232.07423	0.5
233.05135	0.6
233.08667	2.2
240.07869	0.5
245.05074	7.2
245.07396	0.5
246.05406	0.8
247.03070	1.3
255.07176	2.9
259.06677	0.8
261.08139	2.2
263.06354	1.2
263.10156	0.5
273.08182	3.8
279.09314	0.9
303.09415	0.5
320.60931	0.5
321.11319	100.0
322.10651	5.2
339.11487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01865	5.7
56.64924	1.7
56.96565	9.6
57.03439	4.1
61.02919	3.8
61.26838	1.7
62.05401	1.6
65.03931	2.8
67.05502	7.9
69.03428	12.1
69.07061	3.4
69.74238	7.1
69.74674	5.5
71.01376	2.8
72.08153	2.2
73.02913	6.4
79.05489	3.6
81.03410	6.0
81.07056	8.2
83.04960	2.0
84.08131	2.2
84.96016	2.0
85.02903	14.2
87.04500	2.5
91.05470	7.2
93.07051	4.7
94.06596	4.3
95.01328	2.9
95.04956	9.3
95.08595	6.5
96.08109	2.5
97.02885	10.2
97.06547	3.5
98.97593	9.0
99.04493	2.4
103.05465	3.1
105.07026	3.7
107.04993	2.7
108.08132	2.1
110.06041	6.8
111.04461	2.2
112.07603	8.9
115.05451	6.0
115.07588	3.3
116.98632	7.9
117.07021	8.1
118.06536	5.2
119.04992	2.9
120.04487	3.2
120.08122	2.3
121.06548	2.2
122.06035	12.6
123.04427	2.3
123.08080	4.4
124.07584	7.8
127.03938	2.7
128.06204	2.5
128.98610	2.1
129.07002	6.6
131.04915	5.5
131.08592	3.5
132.05743	2.0
133.06500	4.8
134.06023	27.9
134.99657	6.0
136.07590	25.3
137.05913	2.4
138.05493	4.8
139.03958	4.5
140.07066	10.6
141.07024	3.3
141.09096	7.7
143.04895	3.9
144.05704	4.6
145.04906	2.0
145.05278	2.0
145.06485	18.8
145.07529	3.6
146.06003	5.1
146.08397	3.4
146.99680	4.4
147.04419	5.1
147.08020	2.3
148.07605	2.6
149.01289	2.0
149.05983	2.1
151.03889	2.4
152.07082	33.5
153.01860	2.3
153.05484	2.6
155.06020	2.8
156.05682	3.2
157.06462	9.0
158.09703	3.6
158.11818	2.5
158.99655	2.4
159.08051	5.5
159.10225	4.4
159.12100	4.7
160.07573	2.5
161.05963	7.0
162.99222	2.3
164.07057	41.6
166.08664	2.5
167.07079	2.3
169.06485	7.4
171.04448	3.1
172.05171	8.5
172.11186	3.6
173.05811	13.7
173.07204	23.3
173.10721	2.7
174.07927	3.9
175.03842	2.4
175.07509	2.8
177.00748	4.7
177.05481	2.9
179.05510	1.9
179.07031	13.8
182.08107	14.9
184.05222	5.7
185.05940	4.3
186.06790	2.2
187.07568	8.1
188.54962	9.2
189.05457	6.0
189.10219	18.1
190.06288	3.1
191.06979	10.9
192.07852	2.2
196.05275	3.9
196.09946	4.5
197.05923	17.0
199.03838	2.1
200.04622	2.7
200.10754	2.1
201.05515	8.9
202.10963	9.0
203.03345	3.2
203.06976	5.5
203.11784	8.5
204.07826	3.0
205.08623	14.5
206.08310	8.7
207.06503	46.1
208.09628	8.7
211.03978	2.2
211.12276	5.3
213.05515	2.9
214.04083	3.0
214.06122	3.5
215.07066	7.9
215.11874	2.5
217.05029	2.4
217.08554	19.2
218.05826	7.8
219.06541	9.3
221.08087	2.9
221.10789	1.9
223.08606	3.0
224.04738	3.4
224.09361	3.0
225.05525	2.9
227.07010	2.5
227.11761	2.2
228.04201	4.0
229.04932	10.0
229.13400	3.4
231.06517	13.7
232.04892	8.3
232.07091	3.4
233.08069	22.9
237.02914	4.6
239.11755	7.6
240.07115	3.3
242.05774	2.9
242.11800	4.0
242.56247	2.4
243.06499	10.5
243.11279	2.7
244.12112	18.6
246.05331	4.1
247.05988	3.8
247.09671	5.7
248.06865	4.9
249.07539	25.2
251.09328	2.3
251.56490	9.9
252.19472	2.0
256.04974	3.7
257.08105	24.2
257.12906	14.4
259.09570	3.3
260.12851	9.8
260.58514	2.0
261.07498	15.1
261.12381	2.3
262.13187	11.9
263.09158	8.8
267.11343	15.6
271.05991	16.4
274.06036	2.5
275.09106	29.1
275.13748	13.7
276.12381	2.6
277.07043	8.0
285.08884	3.6
285.12320	33.0
288.06259	4.6
289.07080	3.8
290.12567	11.9
298.06213	2.7
303.05115	3.5
303.08698	34.6
303.13391	79.9
321.09933	52.1
321.14456	100.0
321.59863	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.09
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
62.10220	0.4
70.69469	1.4
73.02887	0.5
80.81175	0.5
91.05499	2.6
103.05438	1.9
112.02185	0.9
115.05456	1.4
117.07003	0.8
118.06538	0.8
130.04149	0.6
131.04933	1.4
132.07932	0.6
133.06509	0.6
135.02615	6.9
136.03397	0.8
142.06493	1.5
143.07300	5.6
146.06071	0.8
148.02132	1.2
149.00545	0.8
149.04193	1.0
156.04352	0.5
157.05206	0.7
159.02628	0.7
160.07607	0.8
162.03706	1.0
163.02113	2.8
164.03064	0.5
165.02484	3.2
170.06009	1.9
171.06769	8.1
172.07521	0.6
173.08348	0.5
176.01611	2.0
176.05266	5.3
186.03734	1.2
187.04474	0.7
189.02394	2.0
202.03230	0.6
203.03993	0.8
204.04779	100.0
205.05452	2.2
206.06342	7.3
218.06355	1.2
231.05861	1.8
232.04259	1.9
249.06897	4.9
250.05318	11.7
261.06924	17.4
303.07977	24.5
321.09027	56.1
322.09482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.6
62.10550	0.5
70.02934	0.8
70.88708	1.5
70.89038	0.7
73.02911	0.8
81.07036	1.2
88.32250	0.6
91.05472	10.7
93.07051	1.1
95.08591	0.7
102.04671	8.3
103.05443	1.2
121.01080	0.8
125.55406	0.7
130.04134	16.5
132.04396	1.0
135.02631	76.7
142.36906	0.6
143.07246	1.0
146.05983	1.4
157.05348	0.7
158.05965	1.2
162.03702	13.4
163.02118	61.0
164.01643	2.0
164.02863	1.3
165.02406	0.7
170.05994	2.8
171.06779	21.4
172.07529	3.0
173.08334	11.1
176.05301	2.0
178.03206	0.8
180.04781	1.0
189.02309	1.3
202.03328	0.7
204.04770	100.0
205.05569	3.4
206.06348	9.3
218.06407	1.5
222.05865	0.6
223.48363	0.6
231.05840	1.6
232.04283	5.3
245.07472	1.4
249.06900	9.1
250.05316	15.4
261.06915	27.0
264.06982	0.8
275.08469	1.3
286.05328	1.1
303.07950	32.7
321.09006	87.2
322.09219	1.7
339.64807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37914	2.8
54.08092	3.3
54.36792	2.8
55.05500	4.9
56.10940	3.5
56.96286	5.8
56.96562	90.0
57.03441	21.3
58.99886	3.5
61.02928	22.6
63.51382	3.0
68.05041	3.9
68.73402	3.0
69.03423	42.4
69.07067	4.3
69.82341	19.6
70.06590	8.2
71.04990	9.6
72.08132	3.8
73.02905	30.5
74.97626	3.0
75.04496	3.4
77.00929	4.3
79.05484	4.8
81.03422	25.8
81.07050	12.5
83.05004	5.9
84.04504	18.9
84.08152	6.2
84.96024	11.1
85.02896	89.9
85.07657	7.2
86.03235	5.5
87.04472	9.7
91.05448	4.4
95.04980	5.6
97.02891	62.4
98.03269	3.1
98.06067	9.7
98.21394	5.1
98.97575	79.2
99.04451	12.2
100.99175	5.2
101.00885	15.0
102.97068	4.5
103.02410	4.3
103.09935	3.4
107.04992	4.8
109.02857	14.1
110.06039	7.3
110.97556	10.3
111.04437	4.1
111.06387	4.9
112.07625	4.6
112.99146	4.8
113.05917	3.6
114.09119	3.7
115.00747	3.4
115.02422	13.0
115.03876	3.5
116.07059	4.2
116.98605	73.7
119.00201	7.0
119.01907	90.6
119.04945	5.2
121.01658	3.8
123.04447	5.5
127.03933	24.8
128.02269	9.9
128.98599	33.2
129.03952	4.4
131.00172	12.4
131.01871	26.7
133.01723	12.7
133.03482	37.0
134.99652	49.2
135.05025	4.3
137.02930	34.7
137.05956	6.3
139.03888	6.7
140.07091	10.3
140.98595	3.5
143.00174	7.4
143.01913	6.2
145.01756	4.3
145.03471	14.5
145.04967	14.8
146.99644	40.4
147.03253	6.6
147.04993	5.7
149.01190	20.1
149.02942	7.3
151.04523	10.4
153.00609	5.7
155.01878	7.9
155.03082	3.9
155.08177	7.5
157.03519	6.5
158.08144	25.2
158.99681	24.5
159.03200	13.3
159.05000	14.1
159.06390	5.7
159.08586	23.3
160.09746	15.3
160.99068	3.6
161.01360	17.2
161.02913	31.4
161.04697	5.3
162.99205	7.1
163.02740	9.1
163.04559	6.5
165.00740	10.2
167.02272	4.3
168.99867	9.2
169.04465	3.7
170.05154	5.7
170.99641	10.8
171.05006	12.3
173.01230	12.5
173.02922	19.2
174.03488	7.3
174.53862	3.7
174.99127	4.7
175.02786	18.6
175.04317	6.1
177.00723	41.8
177.02490	6.4
177.04274	25.6
177.05913	11.0
179.05836	3.4
181.00175	4.2
182.03355	11.2
183.04063	18.1
186.99229	5.5
187.00821	29.4
189.00708	33.2
189.02446	17.0
189.06129	17.1
190.98570	3.5
191.02301	11.7
191.03983	16.5
191.05713	5.9
192.04707	6.3
193.00215	11.9
193.03732	16.9
195.01765	5.9
195.03578	4.8
195.05399	19.1
196.99361	7.4
197.01172	4.4
201.00720	12.3
201.02496	10.6
201.06041	4.4
203.02310	7.8
203.04070	6.0
203.07549	6.1
205.00188	7.5
205.01941	15.3
205.03839	8.5
207.01790	12.3
209.03317	4.0
213.06053	6.3
215.00381	34.2
217.01973	4.3
217.05557	5.0
219.01765	54.3
219.03549	11.4
219.05301	6.6
221.01376	4.9
221.03252	7.7
221.05112	13.9
223.01190	9.7
229.01973	11.6
231.01663	6.2
231.05243	18.2
231.56975	3.9
233.01355	4.5
233.05014	16.2
234.99043	5.3
237.00443	6.0
237.02789	100.0
237.05087	6.9
240.05554	25.6
240.07843	6.4
241.06517	7.9
242.03365	4.7
245.05066	5.1
247.02989	62.7
255.03833	7.7
255.06290	12.9
260.04449	8.2
261.02768	9.2
261.08359	18.9
264.06906	5.8
265.04041	16.4
267.11584	4.9
269.05545	5.8
275.08981	5.5
277.05948	4.2
277.09848	4.6
279.03900	21.7
279.09506	30.1
285.12424	5.4
289.04062	9.1
295.51334	4.2
303.13440	7.8
313.12366	8.6
320.60901	5.2
321.08127	21.1
321.11838	92.7
339.09482	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01829	2.9
56.96564	44.1
57.03439	19.1
61.02923	6.3
68.96922	2.9
69.03426	15.6
69.85300	17.5
70.06569	4.6
70.84904	2.3
71.04998	6.0
73.02919	26.8
74.22104	2.3
81.03421	10.7
82.99847	3.4
84.08120	6.3
84.96028	11.4
85.02908	23.8
95.06109	7.1
97.02892	20.2
98.97585	50.7
99.04459	3.2
101.00871	11.4
109.02905	8.5
110.01376	3.0
110.03194	2.7
110.97593	7.9
111.05570	20.9
112.89613	4.7
112.99147	4.2
115.03906	2.9
116.98622	49.4
117.02157	5.5
118.00278	3.0
119.00197	3.4
119.01170	3.1
119.01925	70.9
120.02045	4.3
121.01658	7.1
123.05586	18.7
125.01907	7.5
126.00877	2.5
126.01842	2.7
126.02694	3.2
127.00787	4.5
127.02390	3.3
127.03937	4.8
128.01350	3.5
128.98607	27.0
130.02011	2.5
131.00168	12.3
131.01912	15.4
132.00035	3.2
132.02692	3.1
133.00784	5.4
133.03459	7.7
134.01538	4.2
134.99672	39.0
137.00970	3.7
137.01895	14.2
137.02972	15.9
137.51971	4.0
138.00078	3.1
138.01738	3.8
138.02721	8.2
139.00771	5.1
139.02650	3.7
139.68718	2.7
140.98610	2.7
141.06596	45.1
143.00175	11.3
143.01915	32.8
144.02679	12.4
144.52785	5.7
145.00768	5.6
145.01729	4.7
145.03474	31.5
146.01379	6.4
146.02432	8.6
146.52592	3.8
146.99654	43.0
147.03255	6.2
149.01173	13.4
149.02963	3.1
149.52031	3.1
150.02699	11.6
150.52794	3.1
152.02426	9.4
153.00626	6.7
153.03195	3.0
154.01323	5.6
155.00151	3.2
155.01950	11.2
156.02684	4.2
157.00829	4.7
157.03554	13.4
158.01321	3.2
158.99628	12.4
159.03229	11.3
159.05055	4.2
159.07614	34.7
159.08615	2.7
160.09760	6.4
161.01254	20.2
161.02972	65.1
162.99196	8.3
163.02730	3.4
163.04524	10.6
163.07356	3.2
164.02475	8.2
164.52586	3.2
165.00685	17.0
168.03720	7.9
168.05089	2.7
168.53807	3.9
169.01826	2.7
169.03525	5.4
170.99619	5.9
171.01422	10.0
173.01242	8.1
173.02963	38.8
174.03818	6.4
175.04510	8.3
177.00761	24.5
177.02286	4.2
177.04219	6.4
179.02264	5.1
180.03755	5.2
180.52472	2.9
182.00903	5.9
182.03432	3.7
183.01598	3.9
183.04305	5.1
184.01486	3.9
184.04533	3.8
185.01430	4.7
185.03033	14.5
186.03133	4.6
187.04483	5.2
188.03448	3.3
189.00728	30.3
189.02455	45.0
189.04286	9.4
190.02464	4.1
191.02357	4.8
191.03969	9.0
192.98683	3.1
193.53833	3.3
194.03493	11.0
194.50961	3.5
195.01805	4.1
195.04282	8.3
195.54301	2.6
197.03050	7.2
198.01250	4.7
198.03827	3.9
199.04614	2.8
201.00764	13.0
201.02455	19.4
203.02499	4.9
203.04059	31.9
203.54019	5.2
203.97174	3.9
204.04918	13.7
205.00264	3.3
205.03668	3.1
207.01732	18.7
210.04836	3.7
211.02951	4.1
212.01942	10.0
212.04349	11.6
213.02478	7.8
213.05408	5.9
214.54877	4.1
215.04042	5.6
217.02802	3.1
219.01817	47.2
219.03589	7.9
219.05241	2.9
221.01874	3.9
221.05093	100.0
222.03175	3.5
222.05135	4.4
223.52898	2.8
223.55438	2.9
224.02501	2.9
224.04480	18.8
225.02899	7.0
225.05313	9.1
231.01814	6.4
231.05396	4.1
233.02992	3.9
233.05127	32.7
235.06541	3.5
237.02818	37.1
238.03311	4.5
240.05894	11.3
240.55933	3.3
241.05846	3.4
243.01591	3.6
243.05466	14.2
243.55507	3.3
244.06792	6.0
245.05121	8.6
249.02826	16.8
249.06612	5.5
251.04369	8.5
254.56366	3.7
255.03879	8.9
256.97601	8.5
260.04349	3.1
261.04440	27.4
261.06534	18.1
261.56589	6.8
263.06284	16.4
267.03818	4.9
269.05396	6.1
270.99408	3.5
279.03644	17.8
279.05756	23.2
280.04373	3.9
280.08112	7.1
288.00916	3.5
289.00629	3.5
291.04486	3.9
291.07401	10.8
291.57391	8.5
297.05118	6.8
297.08673	4.0
298.05499	7.7
298.08981	22.1
298.18613	4.8
298.98123	15.2
300.07608	4.5
301.06302	4.1
302.07217	5.3
303.05615	3.6
309.04810	4.4
309.10345	4.3
320.55762	4.8
321.06125	35.9
321.13104	13.5
321.16748	6.6
321.32132	3.3
339.05887	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86929	1.0
55.01855	1.2
56.96562	29.8
57.03437	1.5
60.04520	1.5
60.95867	0.9
61.02927	2.0
69.03439	3.5
70.52480	1.7
70.52850	2.2
71.95261	1.3
77.00922	2.1
81.03417	2.3
82.99876	2.7
84.08158	5.1
84.96036	6.7
85.02902	6.3
95.01978	1.0
95.06065	1.3
97.02892	3.8
98.97580	25.7
101.00868	10.2
102.97002	1.0
103.02448	1.4
105.00377	1.8
109.02878	1.2
110.09518	0.9
110.97586	3.3
111.05573	4.3
112.99142	1.3
115.02422	1.1
116.98617	33.0
117.98956	0.8
119.01918	61.6
120.02026	1.9
120.97968	1.9
121.01657	1.8
121.03456	1.2
123.05557	4.3
127.02451	2.7
127.03856	1.3
128.98631	6.5
130.08664	1.4
131.00137	1.9
131.01904	10.7
133.03444	4.6
134.99658	33.8
137.02948	14.3
139.02615	1.2
140.00209	1.5
141.06586	11.6
142.03479	3.4
143.00136	3.0
143.01883	14.2
144.01942	1.0
145.03459	33.8
146.03552	1.4
146.99664	9.1
147.01437	1.7
147.03174	1.2
147.04988	1.4
149.01210	3.3
149.02985	3.2
153.00713	6.9
155.01962	7.1
156.02658	1.5
157.03490	7.2
158.01268	2.6
158.99722	2.8
159.05038	1.3
159.07642	7.6
160.04573	1.6
161.01314	4.9
161.02960	42.2
162.03159	1.7
162.99142	2.3
163.04521	8.8
165.00754	3.2
167.01932	1.0
168.03749	1.3
168.05101	1.2
168.98492	2.0
169.00082	1.0
171.01328	9.2
171.05040	1.4
173.01468	1.4
173.02959	15.5
174.97626	2.3
175.02864	1.8
175.04558	4.1
176.99367	1.9
177.00922	19.3
177.02477	1.0
178.01082	2.2
178.96979	0.9
179.00706	1.7
179.02258	2.3
179.04010	1.9
180.04958	1.2
180.17487	1.8
181.00491	3.2
182.99992	1.2
184.04562	3.4
185.01424	1.8
185.02988	6.9
187.04543	2.7
187.99257	1.0
189.00769	3.9
189.02432	44.7
189.03983	1.5
189.06068	1.4
190.02606	2.4
190.95357	2.6
191.02377	2.0
191.04033	7.0
191.47057	1.1
191.97151	1.4
192.98750	2.1
193.99146	1.6
197.02995	3.2
199.04448	1.1
199.99130	1.1
200.02663	2.2
200.97261	1.1
201.00793	2.6
201.02467	14.3
201.50949	1.2
202.97285	1.1
203.00652	1.7
203.02478	14.4
203.04074	14.3
204.51521	1.2
205.00336	1.4
205.96815	1.6
207.01883	6.7
207.98764	1.7
208.96490	1.6
208.99744	2.3
209.98030	1.7
210.48721	1.5
210.94328	1.0
210.96182	1.3
210.98033	1.5
211.97905	1.4
212.04077	3.9
212.97572	1.5
213.02470	3.3
214.96696	1.3
215.00595	1.4
215.04185	2.0
216.98790	2.8
217.00659	1.2
217.97047	1.5
217.98949	2.0
218.98563	2.5
219.01886	53.6
219.03583	8.6
220.02023	1.8
221.01987	4.5
221.05058	100.0
222.05295	4.3
224.00174	1.4
224.50493	1.1
224.99390	1.7
225.02768	1.4
226.03963	2.4
226.97418	1.2
229.00212	1.3
229.50075	1.2
230.98793	1.3
231.03416	2.8
232.96399	2.1
233.05101	24.3
233.07320	1.4
234.99725	3.2
236.00015	3.4
236.99374	5.0
237.02835	4.6
238.03130	2.0
238.97572	1.3
239.06133	3.5
239.97975	1.2
240.05965	2.6
240.50099	1.0
240.99890	1.8
242.03615	3.4
243.08521	1.1
243.99963	1.3
244.06671	4.9
244.98334	2.7
245.05046	10.3
246.97887	2.2
247.01585	3.3
249.03300	1.2
250.97539	2.7
251.00285	1.7
251.06264	1.4
252.02025	1.4
253.98517	1.5
255.03897	5.5
255.50444	1.4
255.97729	1.8
256.04214	3.6
256.97574	14.6
258.00311	1.5
258.97684	2.5
258.99994	2.7
259.48370	1.2
260.00449	1.6
261.00024	2.1
261.04633	41.0
262.01089	1.3
262.04810	1.9
263.06247	4.5
264.98956	1.4
265.98477	1.8
266.97916	1.5
267.00504	3.2
267.50610	1.5
267.98038	1.4
269.52988	1.3
269.99994	1.2
270.99969	1.5
272.98123	1.3
273.94690	2.7
274.94498	2.7
274.97778	3.5
275.00790	3.4
275.97485	2.2
276.00980	1.4
276.51154	1.4
276.94254	1.2
276.98456	3.7
277.01144	2.3
277.47986	1.3
278.97333	1.7
279.00479	1.9
279.05753	37.9
279.47946	1.3
279.99161	1.6
280.04364	2.8
280.96777	1.2
285.96695	1.8
286.99377	2.3
287.98087	5.1
288.01154	5.3
288.48236	1.3
288.51212	4.8
288.99673	1.2
289.01172	1.4
289.98846	2.8
293.02121	3.3
294.97256	1.8
295.96933	1.6
296.98257	6.9
297.01498	1.5
297.04834	3.2
297.48831	1.9
297.98755	2.8
298.02176	2.7
298.05511	3.3
298.18555	7.0
298.97989	25.9
299.48776	1.5
299.52029	3.2
302.07123	7.1
302.97220	1.9
303.01080	1.4
303.05612	3.3
303.97754	1.5
306.97079	1.9
307.96286	1.7
308.99716	2.8
309.96906	1.4
315.96722	1.9
316.19681	3.0
316.95587	1.5
316.99445	1.1
321.01654	3.6
321.06647	26.8
321.12750	1.7
321.16641	1.9
321.99347	4.6
322.06659	2.1
339.07672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05506	3.5
55.58582	0.3
56.05020	1.0
57.03436	0.6
60.04515	0.5
61.02917	0.9
64.43832	0.4
66.75587	0.4
67.05492	1.2
69.03409	1.8
69.07055	1.2
69.61100	0.4
70.06590	4.6
70.60082	1.3
71.04979	0.5
72.08141	1.3
73.02911	0.6
79.05495	0.4
80.74645	0.4
81.03400	1.3
81.07059	3.2
83.04960	1.0
83.08598	1.4
84.04501	27.7
84.08141	0.9
85.02903	5.9
85.06493	0.4
86.09702	0.7
91.03938	0.4
91.05463	0.7
93.07024	0.7
95.04980	0.4
95.08609	3.9
96.08136	0.4
97.02888	2.1
97.06538	1.0
97.10146	1.1
98.06038	3.1
98.09668	1.1
105.06973	0.6
107.04961	0.5
107.08589	0.4
109.02882	1.1
112.07623	2.8
112.11250	0.9
114.09187	0.4
116.04939	0.9
116.07057	0.7
117.05301	1.2
122.09695	0.4
123.08067	2.0
126.05560	0.8
127.03887	1.3
135.04384	0.5
137.05949	1.1
138.06352	0.8
138.09169	0.6
139.03925	0.4
140.07059	1.4
140.10692	42.5
141.11089	0.6
144.04437	0.5
145.04822	1.2
146.05913	0.4
149.05981	4.1
150.05322	0.4
150.06332	4.0
151.03915	5.3
151.05095	0.6
152.04260	4.7
152.10693	0.4
153.01837	1.0
153.05527	0.4
153.06848	0.6
154.02238	0.4
158.11757	100.0
159.12093	1.1
162.05461	0.5
167.06984	0.5
170.11794	0.7
171.06389	0.4
172.03894	0.7
173.04318	1.3
177.05457	4.7
178.05827	7.5
182.06850	0.9
182.11781	1.3
183.06485	0.7
190.04961	0.5
191.05116	0.8
200.05354	0.9
200.11104	0.4
200.12823	1.7
221.08031	0.6
224.12920	0.6
242.06400	0.4
242.08893	0.9
270.08493	0.5
274.11057	2.4
285.12119	0.5
302.10818	1.9
303.13174	0.9
320.09534	0.9
320.17020	1.3
321.14041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72135	1.1
56.05033	1.8
56.96550	2.7
57.03429	1.8
60.04520	1.8
61.02920	2.9
67.05480	1.2
69.03423	5.8
69.07064	8.8
69.88082	8.4
70.06587	11.4
73.02925	1.5
78.38907	1.2
81.03410	4.0
81.07034	1.2
84.04496	5.6
84.57555	1.3
85.02903	15.3
92.05133	1.0
94.06570	8.2
95.04969	1.9
95.07337	1.5
96.04499	6.4
96.08109	4.3
97.02876	5.5
98.06049	8.8
98.21564	1.2
98.97559	6.3
99.04424	1.4
102.05542	1.9
109.02873	16.0
110.97618	1.6
112.07598	9.6
113.05984	1.3
114.05515	16.0
116.98599	4.8
122.06038	2.4
127.03922	2.3
128.98572	2.6
134.99571	1.5
137.05971	1.6
138.00279	1.2
138.09142	4.3
140.07059	54.1
141.05461	19.6
141.07291	1.9
142.08691	1.7
145.04955	3.2
146.99677	1.9
147.82599	1.3
158.08121	100.0
158.11742	2.4
158.99648	1.4
159.06558	1.4
159.08453	1.5
161.01221	1.4
173.12787	1.2
177.00681	2.1
185.96970	1.3
186.07613	3.1
213.93861	1.2
219.01706	2.0
234.98924	2.6
237.02776	4.2
240.12389	1.4
258.13409	5.3
279.07504	3.8
295.59573	2.6
297.08517	1.3
302.12329	3.7
320.13388	2.6
321.08575	3.3
330.28073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87414	0.3
55.01894	0.4
55.05532	0.8
56.96577	0.7
57.03465	0.4
57.97458	0.3
61.02948	0.6
67.05534	0.9
69.03458	1.3
69.07089	1.0
70.11585	0.7
70.11997	1.2
72.08176	0.4
79.05517	0.7
81.03436	0.6
81.07090	1.1
83.05020	0.6
84.04510	0.9
85.02911	2.8
85.04044	0.4
85.06590	0.6
86.09737	0.8
91.05524	0.6
93.07066	0.9
94.06628	0.6
95.04995	0.8
95.08643	0.7
97.02933	1.2
97.06557	0.5
98.21345	0.5
98.97602	0.7
99.08114	0.4
105.07064	0.5
105.66256	0.3
107.08649	0.5
109.02916	0.5
109.06552	0.5
109.10162	0.4
110.06052	0.5
110.78872	0.3
111.04437	0.4
111.08125	0.6
113.09618	0.4
116.04189	0.4
116.04954	1.7
116.31165	0.4
120.08121	2.9
121.06536	0.7
121.10147	0.6
122.06078	1.5
123.04422	0.6
124.07686	0.4
125.02420	0.5
126.09144	0.5
127.04002	0.4
131.08636	0.4
134.99663	0.5
136.00134	0.3
137.06012	1.1
139.03951	0.5
139.07549	0.3
139.09511	0.8
139.11209	0.8
140.07077	0.5
140.10722	1.9
144.04474	0.9
144.08131	0.3
145.04932	0.5
146.06097	0.5
149.05968	3.1
150.05492	0.6
151.03952	3.0
151.05043	0.7
153.01826	2.0
153.05495	0.6
153.06984	0.3
155.04572	0.6
156.10246	2.0
157.07596	0.5
157.08661	2.3
157.10637	2.2
157.12201	0.5
158.11775	3.6
158.99619	0.5
162.05565	0.7
165.01843	0.6
166.08704	0.6
167.07269	0.5
170.06024	0.5
171.09216	1.2
172.03984	1.4
173.08394	0.4
174.09198	0.8
177.00800	0.5
177.05461	3.9
178.05013	1.5
179.03438	0.9
182.09645	0.7
183.09242	0.7
184.09848	1.7
190.04977	0.6
193.05003	0.5
194.08348	0.5
195.03011	0.5
195.07829	1.0
197.07236	0.5
197.10843	0.5
198.07878	1.2
199.05161	0.6
199.08705	1.4
199.12378	1.6
200.10735	0.9
207.03113	0.4
209.10670	1.8
210.09123	0.9
210.11685	0.5
211.08714	1.5
211.12477	0.4
212.09422	3.6
213.10239	3.7
215.08076	0.5
225.06789	0.5
225.10179	2.7
226.11012	8.7
226.13242	0.6
227.11795	13.3
228.10197	5.6
228.12157	0.8
229.09903	1.1
240.08879	0.5
243.07616	0.6
245.04562	0.8
245.12984	0.5
255.11272	6.5
257.09381	0.5
259.10925	0.5
270.09970	16.7
271.10681	3.4
272.11551	15.7
273.04102	0.9
273.07516	0.6
273.12299	9.8
283.10782	7.0
284.11545	0.5
295.60590	0.4
301.11826	100.0
302.12320	5.6
319.04691	6.8
319.09924	1.6
319.12869	42.5
320.05008	0.7
320.13351	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1174
Annotation	Evofolin B
Peak:m/z	Relative Intensity
50.22243	0.7
50.61769	0.6
53.03959	1.1
55.01875	1.6
55.05510	1.0
57.03428	0.9
58.35975	0.5
65.03966	1.7
67.05508	3.2
68.05086	0.6
69.03432	1.6
69.07090	2.4
69.43894	5.8
70.06637	0.8
71.04988	0.9
79.05524	1.3
80.20996	0.6
81.03452	1.0
81.07069	1.4
83.05004	0.7
84.04514	1.4
85.02920	2.8
85.06536	1.3
89.03944	1.7
91.05497	2.7
93.07069	1.8
95.04964	3.2
95.08607	1.0
97.02895	1.3
98.20723	0.8
99.08168	0.6
101.30627	0.5
103.05515	0.7
105.07072	1.0
107.04950	1.3
107.08651	1.2
108.02113	2.8
109.02914	0.9
109.06562	1.2
111.04454	1.8
111.11731	0.9
113.95767	0.6
116.04974	7.9
117.03391	2.6
121.06488	3.9
121.10155	0.8
122.06036	0.8
123.04485	1.0
125.05899	0.6
127.03955	1.1
131.04906	0.9
133.02856	1.2
134.03627	1.0
135.04420	1.2
135.08174	0.7
137.05969	10.4
139.11177	1.4
140.10716	1.3
141.05447	4.7
144.04427	4.6
145.06445	0.9
145.10141	0.7
149.02353	1.5
149.05968	70.8
151.03896	81.4
151.04996	6.8
151.07544	2.5
152.04271	0.9
152.06230	0.8
153.01843	4.7
153.05664	1.0
153.06999	7.7
157.12215	2.0
158.11771	3.9
162.05447	1.3
167.03453	1.0
167.07184	0.8
169.06480	0.7
171.02843	0.7
172.03918	7.4
177.05453	100.0
178.05809	1.6
181.06462	9.6
183.08078	0.6
187.08678	1.4
190.05003	2.4
195.02866	1.6
195.08078	1.8
198.06757	1.8
199.05009	4.6
209.05959	3.4
211.07646	0.7
213.09061	7.3
215.08170	1.1
223.07539	1.0
226.06271	1.5
227.11824	0.8
241.08516	7.5
245.08133	1.0
255.11223	0.7
259.10776	0.9
268.07007	0.7
269.08066	2.3
273.07816	2.1
273.11130	14.8
283.10245	1.1
301.07101	0.8
301.10599	12.6
301.14435	1.0
319.04587	0.9
319.09015	6.5
319.12637	3.3
319.16437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.17207	0.7
65.03925	1.7
67.05498	3.2
69.03417	1.8
69.07053	2.9
69.61324	5.2
69.61735	2.3
71.04980	1.3
79.05502	1.7
80.05004	0.9
81.03401	1.1
81.07056	2.4
83.04974	2.3
83.78819	0.8
85.02882	1.6
85.06541	1.0
91.05475	1.3
92.04972	2.9
93.07027	2.2
94.06538	1.8
95.04948	2.1
96.08099	1.4
105.06992	1.8
107.08604	2.3
109.02837	1.2
109.06529	1.3
109.10169	0.9
110.06038	1.9
111.04419	1.2
119.08559	1.6
120.04461	2.2
121.10126	1.8
122.06030	3.5
123.11669	1.4
124.07580	3.1
125.05983	1.6
126.09174	3.8
128.06267	1.0
133.02878	1.6
135.08096	1.0
136.07573	4.0
137.05975	5.1
138.09164	2.2
139.03865	2.5
139.11150	2.2
140.07071	1.4
143.08540	2.0
144.08075	1.2
145.06534	1.0
146.06036	1.1
147.11610	0.9
148.03897	1.7
149.02353	2.3
149.06000	3.0
150.05540	1.2
151.03885	1.7
152.07057	7.2
153.01793	4.6
153.05487	3.4
153.06871	1.2
155.07295	1.0
157.07562	1.0
157.12236	1.0
158.09677	1.4
160.07532	1.5
162.05524	3.7
164.07007	0.8
165.09041	1.9
166.04990	14.9
167.03491	1.4
170.09631	3.7
172.07585	1.6
172.09924	2.2
172.11285	1.6
173.10771	2.1
174.09152	1.6
175.08690	5.8
176.03508	2.4
177.05437	2.6
178.04935	0.9
180.06624	1.0
182.04454	3.0
182.09735	1.1
183.09265	1.0
184.07565	5.9
186.09186	1.7
187.08649	1.4
187.12349	7.2
188.07047	1.4
188.10703	2.3
194.04439	2.8
195.02931	1.5
195.06543	2.1
198.09158	11.8
199.08595	1.1
199.12393	1.6
200.09387	3.0
200.10744	3.4
201.10179	11.5
210.09169	1.6
211.08675	1.4
212.07149	2.3
212.09468	3.3
213.10284	1.3
214.08711	1.3
215.11780	26.6
216.10185	2.9
225.10143	1.8
226.08823	2.1
226.10841	1.4
227.08235	2.6
227.11758	8.5
228.10426	5.4
229.09708	21.2
230.08035	1.0
230.09988	1.0
233.09143	1.2
240.08887	2.9
241.09637	4.9
242.10522	1.3
243.11278	53.6
244.11668	2.8
245.08356	1.0
245.12857	5.0
253.09712	1.0
255.11240	10.0
256.09601	2.5
257.09409	0.9
257.12811	2.0
258.11475	0.9
259.10834	2.2
261.12250	1.8
270.10071	2.1
271.10751	25.3
272.11630	5.1
272.14322	1.2
273.07529	3.0
273.12314	100.0
274.04471	1.2
274.10510	21.7
275.13882	7.0
283.10721	16.0
289.11734	4.9
301.11816	41.2
302.09799	1.5
302.12564	1.4
319.04916	3.1
319.12878	80.2
320.07938	1.1
320.11084	2.6
320.13718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1175
Annotation	Evofolin B
Peak:m/z	Relative Intensity
55.01862	1.7
55.05494	1.4
65.03925	1.7
67.05495	1.9
68.99775	0.7
69.03413	1.4
69.07045	2.0
70.06556	0.9
70.74416	2.1
71.04966	1.1
79.05465	1.5
81.03401	1.1
81.07056	1.7
84.04476	1.6
85.02895	3.1
85.06505	1.4
89.03907	2.1
91.05473	2.0
93.07039	1.8
95.04942	2.8
95.08610	0.9
97.02871	1.0
97.06503	0.7
104.55234	0.7
105.07014	1.3
107.04926	1.7
107.08576	0.9
108.02090	2.3
109.02893	1.5
111.04414	2.2
116.04971	5.2
117.03384	2.6
119.04912	0.9
119.08594	0.8
121.06468	3.5
121.10078	0.7
122.03635	0.9
123.04410	1.1
125.05993	1.1
127.03925	0.8
131.08566	1.0
133.02823	1.6
134.03586	1.5
135.04434	1.6
135.11650	0.7
136.07523	0.8
137.05962	11.4
139.03874	1.2
139.11162	2.0
140.07040	1.3
140.10675	1.4
141.05444	5.1
144.04448	3.4
145.10075	0.8
149.02315	2.7
149.05969	64.2
150.06396	0.8
151.03897	77.0
151.05006	7.0
151.07507	2.4
152.04297	1.3
152.06139	1.2
153.01804	7.5
153.05444	1.9
153.06976	5.4
157.10201	0.8
157.12202	1.8
158.11755	5.4
161.02365	0.8
161.05928	1.2
162.05479	1.0
166.04933	0.6
167.03368	1.7
167.08517	0.7
172.03935	5.7
175.07529	0.7
177.05455	100.0
178.05934	1.4
181.06473	9.0
190.04994	1.7
195.02875	2.5
195.08078	1.7
198.06723	1.8
199.05023	3.2
209.05988	2.9
213.08961	5.5
214.06732	0.7
215.08173	1.0
226.06168	0.8
228.10330	0.9
241.06252	1.1
241.08498	6.9
245.08165	1.8
254.05573	0.7
258.11218	0.9
259.10883	0.7
269.08066	2.5
273.07767	2.3
273.11118	16.3
283.10010	1.5
301.07089	2.3
301.10864	12.9
314.67294	0.7
319.04480	2.0
319.09088	4.9
319.12845	6.6
319.16339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1175
Annotation	MPHPV II
Peak:m/z	Relative Intensity
55.01862	8.8
65.03936	3.3
67.05468	3.9
69.03418	3.5
69.80969	18.8
79.05486	15.9
81.03419	3.4
81.07039	11.8
91.05463	10.4
93.07021	5.9
95.04961	24.0
95.08620	5.0
97.06499	3.9
99.04449	8.0
105.07026	3.6
107.04933	28.2
107.08562	4.4
109.06513	5.4
109.10156	3.4
119.04946	8.7
123.04423	30.4
124.05211	11.3
125.02386	3.9
125.05997	16.9
126.91541	3.0
129.49611	2.6
131.08627	3.3
133.06563	4.4
133.10106	3.1
135.04395	3.9
137.02347	4.8
137.05957	20.2
138.03111	5.8
139.07564	24.7
141.05461	4.4
147.04393	11.6
152.04640	12.2
153.01793	6.1
153.05444	14.2
155.07042	9.8
163.03918	12.2
165.05441	9.2
167.07030	100.0
171.08025	7.5
177.05472	7.9
181.04939	25.9
183.06525	50.5
195.06534	8.3
199.07547	12.2
202.06070	4.4
211.07419	4.5
213.09082	3.4
216.07814	3.5
217.08849	2.8
219.06398	2.9
227.06987	3.8
230.26840	2.8
231.10052	21.1
240.07841	4.9
241.08521	11.1
241.10748	2.8
242.09550	4.0
243.06537	4.5
243.10097	3.2
257.08044	4.3
258.09021	3.4
259.09683	3.1
269.08075	9.9
273.11218	42.0
286.08429	4.4
289.10645	7.0
291.12280	17.0
301.10666	50.9
301.21451	3.6
319.11850	31.5
319.22647	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	319.1174
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
53.03933	2.2
53.86507	0.6
55.01872	5.8
55.05498	1.4
60.66236	0.7
65.03928	1.9
67.05499	2.8
68.99770	2.6
69.03409	1.2
69.07072	1.0
70.65900	0.6
70.66670	0.6
70.89874	1.2
70.90215	0.8
71.04981	0.7
79.05492	8.3
81.03410	2.5
81.07046	6.0
83.04980	8.9
85.02877	0.9
87.43616	0.6
88.15209	0.7
91.05463	7.3
93.07029	2.1
94.04113	0.7
95.04964	16.2
95.08605	1.6
97.02917	0.8
97.06521	2.6
99.04446	49.8
103.05456	1.0
105.07011	2.3
107.04943	29.6
107.08562	1.3
109.02866	3.1
109.06509	5.9
109.10152	1.2
110.03642	0.7
111.04463	4.5
115.05454	0.9
117.06986	1.1
118.40671	0.7
119.04930	8.5
119.08533	0.7
119.39005	0.6
121.02851	0.7
121.06473	2.1
121.10146	1.4
122.03654	0.9
123.04420	20.8
124.05202	9.6
125.02328	1.5
125.05977	9.2
127.03901	1.5
128.06206	1.3
129.06944	0.6
131.04903	0.9
133.02843	0.8
133.06496	3.0
133.10048	0.9
134.03662	0.7
135.04411	7.4
135.08043	1.0
137.02338	7.0
137.05963	16.0
137.09512	0.9
138.03088	2.9
139.03897	8.8
139.07530	19.3
140.04680	3.2
141.05429	2.3
141.06984	0.8
143.08575	0.9
145.06477	0.9
145.10100	1.0
147.04413	9.0
147.11659	0.7
149.05962	3.8
151.03883	2.9
151.11140	0.7
152.04681	7.9
153.01830	2.3
153.05450	7.9
153.06938	2.0
154.06264	1.2
155.07013	7.9
155.08316	0.9
157.06477	2.0
157.10121	0.8
159.11574	0.9
161.05962	2.1
162.03128	1.1
163.03899	24.8
164.04623	1.1
165.05487	7.9
165.06880	1.5
166.02617	3.8
167.07033	51.6
168.04193	1.6
168.07317	0.8
169.06502	1.4
171.07997	3.3
173.05991	1.5
173.13310	0.8
174.06644	1.3
175.07419	1.0
176.04706	1.6
177.05489	5.5
178.06264	0.7
179.07040	5.7
181.04964	29.1
181.06442	3.5
181.08517	3.2
183.06520	22.8
183.07962	1.4
185.05974	1.8
185.09637	1.3
187.07465	1.5
189.05461	1.1
189.09117	0.9
190.06197	1.1
191.07013	2.3
192.04080	1.3
192.80264	0.7
193.06662	0.8
193.08582	1.4
195.06520	14.5
195.08095	1.6
197.05927	1.8
197.07928	0.8
198.06737	2.7
199.07494	6.5
201.05412	1.6
202.06233	2.0
203.07016	1.4
207.06483	2.3
209.05983	1.2
209.08006	0.9
211.07509	2.3
212.08249	1.6
213.05487	0.8
213.09146	5.2
215.06940	1.4
216.07768	0.9
217.08611	3.0
221.08101	0.9
223.07597	1.5
224.08260	0.7
226.06241	1.9
227.07028	3.4
229.04967	1.4
229.08571	1.0
230.09373	1.5
231.10121	5.8
233.08104	1.6
239.06972	1.6
240.07800	2.7
241.08533	8.1
242.09383	1.3
242.31071	0.9
243.06561	3.9
245.08090	1.6
245.11697	1.0
253.04990	1.0
254.05617	0.8
255.06595	1.5
255.10005	1.3
257.08054	2.4
258.08899	3.8
259.09872	3.9
261.07593	0.8
268.07242	3.2
269.08035	5.3
270.08893	1.3
271.06116	2.2
272.10504	0.8
273.11182	13.4
277.10776	3.7
285.07645	0.8
286.08322	7.0
289.10663	1.5
291.12238	2.8
301.10678	65.0
302.11005	1.0
319.11737	100.0
320.12073	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.081
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
55.01869	1.4
55.05504	1.5
65.03934	4.2
67.01859	1.8
67.05504	2.6
68.99799	3.5
69.03429	3.2
69.07063	2.4
70.21673	3.6
71.04961	0.8
79.05492	1.8
81.07050	3.5
85.02908	2.0
85.06543	0.9
91.05474	1.7
93.07069	1.6
94.04173	1.9
95.04946	1.9
95.08608	2.3
97.02887	2.3
97.06512	0.8
98.21356	1.2
105.03405	2.5
105.07039	2.2
106.06572	0.9
107.04932	0.9
107.08598	1.9
109.02885	0.8
109.06511	3.1
111.00808	0.9
111.04427	7.9
121.02864	8.1
121.10145	2.5
122.03661	6.1
123.04406	5.5
123.11692	1.4
124.07619	3.0
125.05978	4.3
126.09147	4.5
127.03930	3.3
131.04944	1.0
131.08560	1.1
133.02864	11.9
133.06506	0.9
135.11684	0.8
136.07527	0.7
137.05966	91.8
138.05421	1.5
138.06343	2.2
138.09108	4.1
139.03888	6.6
147.04384	1.1
149.02327	46.7
149.05963	2.7
150.02872	1.2
151.03897	2.6
152.06966	0.9
153.01819	100.0
153.05438	2.7
154.02266	3.4
157.06490	2.1
161.02328	18.9
161.05980	1.8
165.05469	5.8
166.04942	6.8
167.03394	20.9
171.02890	3.3
173.13144	0.9
177.05522	1.4
182.04378	1.0
184.05165	2.2
185.05981	4.4
189.05560	1.2
193.04959	7.8
194.04401	5.3
195.02879	35.9
196.03296	1.5
197.05856	0.8
209.54091	0.9
212.04683	3.2
212.09488	1.1
213.05444	15.4
214.08772	1.3
217.04997	2.6
225.08080	0.9
225.10164	1.3
226.11069	1.9
227.07025	1.5
227.11705	3.9
228.10175	1.2
229.05005	2.3
230.05820	1.5
241.04929	14.5
242.05385	2.2
243.07635	2.6
245.08063	35.2
246.08478	1.4
249.11230	1.9
255.11292	3.1
257.09143	1.4
259.05945	1.0
259.10834	4.6
269.04443	3.1
270.10086	4.2
271.10794	3.2
272.06860	2.5
272.11484	9.5
273.07556	59.4
273.12012	8.9
274.07892	3.1
283.10822	4.0
286.04825	2.5
301.07071	19.2
301.11838	35.2
319.04626	1.4
319.08197	12.6
319.12860	12.2
319.19116	0.9
319.22919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1023
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
53.03943	1.0
55.01866	2.4
55.05509	1.3
56.96561	5.8
57.03418	3.4
59.04970	1.0
61.02909	2.5
63.69867	0.9
69.03429	11.8
69.07062	1.6
69.64716	1.0
70.06570	1.5
70.71490	3.1
70.95879	1.0
71.01346	2.6
71.04975	1.0
72.93780	3.8
73.02903	2.2
76.78875	0.9
81.03399	3.7
83.01337	1.5
83.04947	1.2
84.08141	2.3
85.02425	1.6
85.02905	22.2
87.04492	1.9
88.90570	0.8
90.94822	3.7
91.03928	1.3
97.02888	9.8
98.97596	7.7
99.04462	1.5
99.36400	0.9
108.95885	1.3
109.02889	2.4
111.04438	67.8
112.07623	1.2
116.96395	1.2
116.98653	6.3
119.01884	2.0
119.04902	1.2
123.04523	1.0
124.07584	1.7
125.02256	1.2
127.03909	6.2
128.07048	2.2
131.01871	1.3
132.95836	13.8
134.97340	1.5
134.99631	2.2
137.05968	1.4
138.05525	1.2
139.03896	100.0
140.06987	1.8
141.05385	1.4
142.08603	2.6
144.13826	1.9
144.95865	1.2
145.04959	2.6
146.99612	2.7
147.01424	1.3
150.96873	8.2
156.06569	1.6
157.04958	98.0
158.08154	5.5
158.97353	3.1
158.99609	2.5
161.02959	1.3
162.96902	2.7
163.08167	1.3
173.09160	1.2
174.96878	30.3
175.02802	1.2
175.08159	1.0
176.98471	2.3
177.00642	4.7
186.96854	2.4
192.97946	2.6
194.06418	1.0
199.00517	4.7
199.02704	1.1
204.98010	1.1
211.00554	2.1
215.99586	1.1
216.97893	2.4
217.03719	1.1
217.09215	1.3
219.01797	3.0
221.05203	0.9
229.09227	2.3
234.99011	13.0
237.02853	4.2
242.10741	0.8
253.00026	2.7
260.09479	0.9
273.09433	1.2
277.05081	0.8
295.09241	1.1
301.03714	1.5
319.04675	3.4
319.10004	12.7
319.13568	95.1
320.05270	1.0
320.13770	3.2
329.13458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	5.0
55.01862	5.8
56.55783	4.3
56.96556	40.0
57.03429	25.8
58.03781	5.9
58.99845	5.0
61.02918	26.7
69.03423	44.8
69.62580	12.9
69.63010	20.9
71.04969	9.5
73.02919	40.9
74.03245	4.9
75.79591	3.9
77.16536	4.5
81.03400	15.7
83.04944	5.1
84.08122	9.4
85.02419	5.6
85.02898	68.6
86.03234	10.9
87.04464	8.8
91.03965	4.7
97.02887	37.4
98.03230	6.3
98.97578	40.4
99.04399	5.1
101.00853	9.5
103.02403	6.2
104.01260	5.2
109.02882	12.7
110.01208	4.8
110.97591	7.2
111.04434	13.5
112.99114	17.1
115.02396	4.5
116.98605	23.1
119.00159	5.0
119.01910	34.9
120.01993	4.3
122.06129	4.7
127.03891	17.9
128.02298	4.7
128.98572	12.9
131.00192	27.6
131.01880	17.5
133.03461	23.4
134.99605	4.9
137.03008	4.7
137.05965	6.2
139.03896	21.5
143.01854	6.3
145.01691	5.3
145.03458	19.4
145.04933	9.8
146.99667	8.1
147.01276	5.4
149.01164	15.8
149.02902	11.2
155.01912	8.3
156.03627	6.7
156.05389	10.8
156.06496	6.4
157.03490	11.5
157.04941	24.8
157.06873	6.2
158.08095	7.5
158.99669	10.2
159.05006	8.4
161.01132	5.7
161.02942	20.0
162.03212	7.1
162.99142	6.5
163.02782	11.2
165.00658	5.7
167.02277	4.8
169.54633	4.6
172.99452	4.9
173.02953	13.1
173.09178	5.4
174.96909	4.7
175.02782	8.6
175.04584	12.0
176.04587	5.2
177.00699	13.7
177.02214	4.4
177.06125	7.8
178.04881	29.5
178.55052	32.5
179.05219	11.8
183.01794	5.4
185.02916	9.2
185.06534	5.9
187.04562	12.0
189.00682	6.5
190.98622	10.1
191.02243	7.0
193.00241	8.4
193.03894	9.1
199.00989	8.8
203.03929	13.5
208.99680	16.1
211.04692	11.9
213.03462	6.4
217.01898	10.8
217.03777	6.6
219.01730	10.5
221.05057	18.1
222.05536	7.7
227.00624	9.2
235.02927	4.9
237.02744	20.9
237.08081	19.7
237.58264	44.2
238.03154	5.0
238.08510	8.0
245.01474	20.2
245.05109	14.4
246.05370	5.2
250.57143	5.4
257.05066	7.4
259.02954	7.9
259.06754	28.1
260.49298	4.6
273.08322	5.2
275.06152	6.2
277.04242	10.0
277.07681	13.3
278.07999	12.2
287.02402	11.7
291.09213	5.1
295.08505	7.0
296.08960	30.0
301.03973	5.9
301.12048	5.8
318.60916	100.0
319.07730	45.1
319.11044	43.5
319.13730	10.3
319.60022	4.3
321.10168	9.0
322.10608	8.1
323.10159	11.7
324.10486	8.8
337.08157	12.1
338.08426	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	319.0742
Annotation	Fenofibric acid
Peak:m/z	Relative Intensity
54.05687	0.8
54.26880	0.8
55.01864	3.8
55.05497	2.4
55.72345	1.0
56.96551	1.7
57.07063	1.6
67.05467	2.4
69.03407	1.3
69.07065	4.3
71.21215	2.2
73.02915	1.0
79.05491	4.4
81.03404	1.0
81.07043	6.9
83.04973	1.3
83.08614	1.3
91.05457	3.5
93.07023	4.4
95.04951	2.1
95.08586	4.6
98.97580	1.1
99.04405	1.9
103.05442	3.4
105.07050	5.1
107.04926	3.9
107.08576	3.3
109.02898	1.1
109.06509	3.7
109.10123	3.5
115.05440	3.3
116.98605	1.4
117.07030	0.8
119.08572	3.7
121.06487	7.3
121.10111	3.3
123.04411	9.1
123.08051	1.4
123.11670	2.1
130.06479	2.7
131.04919	2.5
131.08545	1.0
133.06479	10.0
133.10104	2.7
134.05949	1.1
134.99585	1.6
135.11659	1.2
137.05936	3.6
137.09599	1.2
139.03917	1.7
139.07512	2.8
140.04977	1.2
141.05722	1.2
142.06520	1.5
143.07268	3.6
143.08484	0.9
145.10115	2.3
147.02617	11.1
147.11693	1.5
149.05962	1.9
149.09613	1.2
151.03862	3.1
151.11212	1.1
157.10149	1.8
159.01427	2.0
159.02650	1.1
159.11693	1.6
161.06000	5.6
161.09589	2.2
161.13345	1.2
163.03879	1.7
165.05493	4.9
165.12708	0.9
167.07033	11.9
170.05966	4.1
171.06773	7.8
171.11609	1.3
173.02879	1.3
175.11111	1.3
176.05283	2.2
177.00972	1.1
177.05489	1.4
179.10640	1.2
187.04323	0.9
189.02440	1.7
189.05368	1.0
191.07002	4.8
192.04755	5.5
202.03191	28.3
203.03773	1.3
204.04771	36.9
205.05293	2.4
217.08591	1.0
218.06479	1.3
219.05864	6.3
220.04233	1.7
229.04204	1.3
230.06317	0.9
231.05865	2.4
232.04315	1.8
244.04279	4.1
245.07472	2.8
246.05879	1.5
247.05362	29.1
248.03687	10.5
248.05650	0.8
259.05334	42.9
260.05573	2.2
273.06952	10.5
273.09900	1.2
273.11179	1.7
287.12686	1.2
291.03787	1.3
301.06604	7.8
301.11142	5.8
301.18063	1.0
301.21600	2.4
309.66519	1.5
319.07443	100.0
319.11346	3.6
319.22626	3.1
319.26196	2.0
320.07709	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
53.56917	0.2
55.01871	0.2
57.05158	0.2
65.03923	0.5
67.01848	0.4
67.05486	0.2
68.99428	0.2
68.99786	2.9
69.03426	0.3
69.07056	0.2
70.00792	0.8
76.73017	0.1
79.01853	0.4
79.05477	0.2
81.03419	0.6
81.07050	0.3
82.41566	0.2
83.04945	0.1
85.02888	0.4
91.05485	0.3
93.03410	0.4
93.07021	0.2
95.04975	0.3
95.08601	0.2
97.02908	0.3
105.07037	0.4
107.01339	0.2
107.08601	0.3
109.02866	2.3
111.00800	4.3
111.04464	0.8
114.03873	0.1
115.05428	0.3
117.07047	0.2
121.02872	0.5
121.06495	0.6
121.10165	0.1
123.04387	0.3
125.02355	0.5
126.03123	0.4
127.03890	1.0
133.02818	0.4
133.06483	0.3
135.04378	0.2
137.02325	3.6
139.03886	0.7
143.03362	0.2
145.06541	0.2
147.04442	0.5
149.02332	0.3
149.06013	0.2
151.03885	0.3
151.07562	0.2
153.01819	20.8
153.05321	0.4
159.11655	0.2
161.02377	0.2
161.05984	0.7
163.03903	0.3
165.01839	5.9
165.03265	0.3
166.02594	0.8
166.04907	0.2
171.04315	0.8
175.03940	0.4
177.05414	0.9
179.03387	2.7
183.02939	1.6
189.01735	0.3
189.05449	1.9
193.01268	0.5
193.04977	0.3
194.02074	0.2
195.02899	1.3
199.03946	0.7
203.03358	1.4
205.04965	0.2
207.02908	0.6
209.04401	0.2
217.04955	7.9
219.02885	0.4
221.04420	0.6
227.03403	0.9
229.05013	0.7
231.02943	0.5
232.03618	0.3
235.02266	0.3
235.06029	0.5
244.03665	0.6
245.04446	9.0
249.03734	0.2
255.02808	1.0
259.02158	0.2
259.10739	0.2
263.05423	1.0
272.03189	0.4
273.03918	8.0
290.04236	1.9
291.04788	0.3
301.03351	1.7
301.11792	0.5
319.04462	100.0
320.04791	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.6
55.05487	1.7
56.96562	63.4
57.03423	5.1
61.02926	4.7
67.05489	1.6
69.03423	10.7
69.07042	1.0
70.26080	3.9
71.01353	1.4
71.04980	1.9
72.08152	1.2
73.02924	5.1
74.97586	1.9
79.05450	1.2
81.03403	4.3
81.07046	1.4
82.06567	1.7
82.54162	0.8
83.01305	1.3
83.04997	1.1
83.06072	1.2
84.08136	2.6
84.96020	3.4
85.02894	21.5
86.09679	1.5
87.04461	2.8
91.05466	2.0
95.04935	1.4
97.02894	12.5
97.96771	1.2
98.21480	1.2
98.97584	13.0
99.04419	2.9
105.07053	1.0
107.04936	2.2
109.02839	3.1
110.06023	2.7
110.07151	1.2
110.97575	3.0
111.04436	10.1
112.02180	1.0
115.00704	1.1
116.98600	12.0
119.01923	5.8
119.04916	2.3
121.01698	1.0
121.03530	1.3
122.06000	1.7
127.03912	6.5
128.98596	10.0
129.05510	2.0
131.00156	3.1
131.01891	3.8
133.01730	2.7
133.03424	3.1
134.05983	1.1
134.99683	8.3
137.02940	1.7
137.05986	6.1
138.05498	3.7
138.06409	1.0
139.00697	3.3
139.03897	16.7
139.05815	3.3
140.07080	1.8
140.98566	6.2
143.00146	1.5
144.98106	1.4
145.03439	2.0
145.04977	2.9
146.02455	1.1
146.99637	16.7
147.04398	2.1
149.01195	3.0
149.02905	1.9
149.05946	1.5
151.03862	1.7
152.07042	1.4
153.00676	1.3
155.08096	5.7
156.06520	4.4
156.98137	4.3
157.01703	8.3
157.03532	2.1
157.04892	18.7
157.06941	3.7
158.08170	1.8
158.99646	30.0
159.03236	1.1
159.05025	1.7
161.01242	3.2
161.02943	5.9
161.04810	1.1
162.99153	2.1
163.02750	1.4
165.00755	5.7
170.99669	1.4
173.02956	1.6
173.09195	1.5
174.96889	1.4
174.99164	36.3
175.02774	87.2
176.03238	1.8
177.00708	47.0
177.04219	1.9
177.06042	3.8
181.00201	1.4
182.01219	2.4
182.99745	1.3
185.06517	1.3
186.99252	1.3
187.04398	1.6
188.54933	1.1
189.00706	2.5
189.02507	1.7
189.04228	1.2
190.98575	4.0
191.02251	2.8
191.03851	1.3
193.00204	100.0
193.03825	85.7
194.00577	1.3
195.01727	6.6
198.00803	5.0
198.04353	5.6
199.02718	1.2
200.02252	2.8
201.00691	21.6
203.03976	2.9
203.07591	3.0
205.00151	2.4
207.01678	1.5
208.99706	1.8
210.54294	1.5
211.01254	10.2
211.04633	1.9
213.06067	1.4
216.01775	3.9
216.05351	2.8
217.01875	3.1
217.03842	2.5
217.05611	1.8
218.03557	1.1
219.01753	71.1
220.02019	1.1
221.05089	3.3
223.01247	2.9
224.02299	2.8
229.05591	1.6
229.07481	1.5
231.07129	1.8
235.02916	2.1
237.02809	26.5
242.03322	5.3
245.06732	1.2
247.01387	1.3
247.06763	1.5
253.04170	1.1
255.03857	1.7
255.08385	1.9
257.03217	14.5
259.01181	6.8
259.06647	1.3
260.04361	1.6
260.10092	1.5
273.09473	5.0
275.04172	21.3
277.02182	2.3
283.01276	2.6
291.03943	1.4
293.05563	2.0
296.08728	1.5
298.06055	2.1
301.02179	33.1
301.11551	1.7
309.08560	1.8
318.58820	1.0
319.03522	18.2
319.07285	3.6
319.09958	6.3
319.13556	68.7
321.08466	1.8
325.86749	1.2
337.08170	3.7
339.09543	1.5
342.04941	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01893	0.6
53.03928	2.1
55.01867	1.2
55.05487	0.7
56.96556	1.0
57.03424	2.5
61.02922	3.8
62.26880	0.7
67.05503	1.0
69.03419	7.3
69.07047	1.6
70.06590	8.2
71.04963	1.5
71.61756	0.7
72.08128	1.3
73.02901	2.2
79.71903	0.7
81.03405	3.7
81.07072	1.0
81.67185	0.7
84.04473	0.7
85.02894	32.1
85.20423	0.8
87.04459	1.4
91.03944	1.8
91.05464	2.1
93.07037	5.6
95.04961	1.0
97.02877	9.1
98.97543	1.8
99.04454	2.3
103.05481	3.9
107.04889	0.9
107.61618	0.6
109.02862	2.9
110.06052	1.2
110.09644	1.1
112.07580	0.8
113.05990	0.6
116.98629	0.7
117.07003	0.8
119.07247	0.7
121.06493	100.0
122.06818	2.1
124.07590	1.3
127.03909	6.4
130.06564	1.2
131.04959	1.7
131.06812	0.7
132.04425	1.2
134.99712	0.8
135.08035	1.6
137.05992	1.6
138.05455	1.4
138.09106	8.7
139.03928	0.8
139.07547	13.9
141.52084	0.8
145.04953	8.2
145.06084	0.9
145.06519	1.0
149.06030	1.2
151.03865	1.0
151.07504	1.0
154.08629	0.9
156.06555	3.9
156.10190	16.5
157.08650	1.5
162.09154	1.1
163.06129	0.8
163.07506	2.3
175.07542	1.1
177.00682	1.1
177.05482	1.1
179.00293	0.8
180.08685	6.5
187.07550	2.0
197.05847	0.9
205.08647	1.9
220.21468	0.8
221.09224	1.6
229.08565	1.6
234.99001	1.1
237.02798	1.3
247.09709	4.2
255.11353	1.2
265.10641	1.0
273.12360	0.9
287.05692	1.1
301.11954	2.0
318.12109	1.3
318.15277	1.2
319.13257	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01861	3.3
57.03432	5.3
61.02922	10.9
61.58249	1.5
67.05517	1.6
69.03420	21.6
71.04993	3.2
71.14552	3.4
71.14897	3.0
73.02900	4.3
81.03421	9.5
81.07057	2.7
84.53122	1.6
85.02898	100.0
87.04459	3.8
91.03950	6.8
91.05473	1.8
93.07046	3.4
95.04967	2.0
97.02882	26.8
98.97594	1.9
99.04449	5.5
103.05428	1.7
109.02871	5.7
121.06494	66.5
121.07371	3.7
127.03904	20.7
128.43518	1.7
138.05516	3.5
138.09154	4.4
145.04956	35.5
145.06134	2.2
156.10220	11.2
157.05022	2.1
163.06013	7.3
180.08679	20.6
187.07541	10.2
201.09129	1.9
201.75262	1.5
205.08635	7.9
229.08620	2.7
247.09500	3.9
265.10623	3.6
302.33966	1.9
318.15335	3.4
319.13593	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05498	1.0
56.43966	0.5
57.03423	1.2
60.04514	1.2
61.02908	2.1
64.37019	0.5
67.05492	1.2
69.03428	4.7
69.06781	0.4
69.07071	4.8
69.93629	0.4
70.06564	0.6
70.07378	1.3
70.69731	1.4
70.70089	0.6
71.04964	0.8
72.08140	1.4
73.02899	0.8
74.79610	0.5
79.05482	0.6
81.03443	2.4
81.07056	0.8
82.06581	0.7
84.08104	0.5
85.02898	8.8
86.09699	6.0
87.04447	1.2
91.05470	1.5
93.07030	1.6
95.04976	0.5
95.08588	1.8
95.09166	0.5
96.04489	2.4
96.08108	1.3
97.02888	3.5
97.05256	1.5
97.06516	1.5
99.04456	1.2
108.08093	0.6
109.02866	1.5
109.06514	0.7
110.06027	4.5
110.09669	3.1
111.04415	0.5
111.08081	1.2
113.24332	0.5
114.09207	0.6
115.07523	0.8
120.08068	0.9
121.06502	10.3
123.04425	0.5
124.07720	0.5
126.09134	8.2
127.03901	1.1
128.04234	0.7
128.10706	2.3
129.06938	0.5
130.06450	0.8
137.06003	1.0
138.09135	20.7
138.10214	1.0
139.07533	1.9
139.09442	0.7
140.06993	0.6
145.04984	1.2
149.06020	1.3
151.03920	2.1
153.05501	0.7
153.06940	0.6
156.10193	100.0
157.10516	1.5
159.11288	1.3
162.05315	0.7
165.05661	0.6
165.06943	2.7
167.08640	0.7
168.10216	0.6
173.12862	2.1
173.14302	0.5
177.00665	0.7
177.05418	2.5
180.10182	0.6
181.06493	1.2
183.08076	5.1
187.07526	0.8
193.06310	0.7
194.07132	0.5
195.07947	0.5
198.11348	0.7
201.12444	0.8
205.11844	1.1
209.05974	2.5
211.07454	2.8
218.53133	0.5
219.08199	0.7
226.11084	0.7
227.11905	0.7
237.03320	0.8
237.05446	4.2
237.09146	1.2
241.08582	0.9
255.06511	9.8
270.09933	1.1
272.09079	3.6
272.11768	0.9
273.12387	1.5
283.05859	0.6
301.06854	0.7
301.08115	0.6
301.11810	7.8
318.09406	5.0
318.15359	2.8
319.09323	0.8
319.12912	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	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01872	1.0
55.05492	0.7
56.96547	1.7
57.03415	2.1
57.07073	0.7
59.04999	1.0
59.51690	0.5
61.02919	3.6
61.03162	0.6
65.03951	0.6
67.05489	1.0
68.05011	1.5
69.03426	9.1
69.07048	2.7
70.06590	0.8
71.04960	1.7
71.58228	0.8
72.04501	0.8
72.08139	2.0
73.02908	3.6
79.05477	0.7
80.49018	0.5
81.03423	4.4
83.04948	0.6
84.04488	2.1
85.02901	21.2
86.09688	4.9
87.04462	2.5
91.03946	0.8
93.07057	0.6
94.06535	0.6
96.04488	21.0
96.08143	0.6
97.02885	7.3
98.97553	1.8
99.04462	1.5
103.03935	0.9
107.04910	1.0
109.02856	3.7
110.06058	1.6
111.04393	2.9
112.13006	0.6
114.05482	2.1
116.98597	2.2
118.97569	0.5
119.01924	0.7
120.11713	0.6
121.02808	0.6
121.06496	1.4
122.06035	0.6
124.07579	0.8
124.45531	0.6
125.02370	1.9
127.03925	6.2
128.98572	0.6
134.97261	0.5
134.99605	1.2
137.05920	0.6
138.05493	36.0
138.09039	1.4
139.03920	5.3
140.07053	1.7
143.11774	0.8
145.04947	3.1
146.99670	1.1
156.06543	100.0
156.10104	3.8
157.04897	1.0
157.06885	1.0
157.13364	0.7
162.05428	1.3
168.06534	0.9
171.06554	0.6
175.02725	1.1
177.00688	1.2
180.06610	1.1
180.08690	0.7
185.16405	0.9
194.30948	0.8
197.12823	0.7
198.07608	1.1
198.94536	0.5
213.15868	0.8
217.03778	0.9
219.01775	0.8
234.99045	2.2
237.02878	2.0
252.99995	0.9
262.52545	0.7
295.08658	0.9
301.03448	1.0
301.09341	0.6
318.11868	22.3
319.07632	1.0
321.08533	0.9
323.10092	1.5
337.07944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01872	1.0
55.05492	0.7
56.96547	1.7
57.03415	2.1
57.07073	0.7
59.04999	1.0
59.51690	0.5
61.02919	3.6
61.03162	0.6
65.03951	0.6
67.05489	1.0
68.05011	1.5
69.03426	9.1
69.07048	2.7
70.06590	0.8
71.04960	1.7
71.58228	0.8
72.04501	0.8
72.08139	2.0
73.02908	3.6
79.05477	0.7
80.49018	0.5
81.03423	4.4
83.04948	0.6
84.04488	2.1
85.02901	21.2
86.09688	4.9
87.04462	2.5
91.03946	0.8
93.07057	0.6
94.06535	0.6
96.04488	21.0
96.08143	0.6
97.02885	7.3
98.97553	1.8
99.04462	1.5
103.03935	0.9
107.04910	1.0
109.02856	3.7
110.06058	1.6
111.04393	2.9
112.13006	0.6
114.05482	2.1
116.98597	2.2
118.97569	0.5
119.01924	0.7
120.11713	0.6
121.02808	0.6
121.06496	1.4
122.06035	0.6
124.07579	0.8
124.45531	0.6
125.02370	1.9
127.03925	6.2
128.98572	0.6
134.97261	0.5
134.99605	1.2
137.05920	0.6
138.05493	36.0
138.09039	1.4
139.03920	5.3
140.07053	1.7
143.11774	0.8
145.04947	3.1
146.99670	1.1
156.06543	100.0
156.10104	3.8
157.04897	1.0
157.06885	1.0
157.13364	0.7
162.05428	1.3
168.06534	0.9
171.06554	0.6
175.02725	1.1
177.00688	1.2
180.06610	1.1
180.08690	0.7
185.16405	0.9
194.30948	0.8
197.12823	0.7
198.07608	1.1
198.94536	0.5
213.15868	0.8
217.03778	0.9
219.01775	0.8
234.99045	2.2
237.02878	2.0
252.99995	0.9
262.52545	0.7
295.08658	0.9
301.03448	1.0
301.09341	0.6
318.11868	22.3
319.07632	1.0
321.08533	0.9
323.10092	1.5
337.07944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
55.05505	9.6
56.96561	2.7
57.03434	5.7
57.07080	1.9
57.80308	1.6
63.08346	1.4
65.03947	1.6
67.05504	34.3
69.03423	2.8
69.07058	16.6
69.42624	1.3
69.42985	15.3
69.86464	1.5
71.04979	4.7
73.06528	1.7
74.58605	1.9
75.06371	1.6
79.05492	19.8
80.63949	1.5
81.07056	100.0
83.04972	6.4
83.08615	6.2
85.06554	10.2
91.05473	38.7
93.07039	15.7
95.04967	6.1
95.08596	22.9
97.06516	11.0
98.97581	3.1
99.08099	5.6
105.07030	42.4
107.04955	10.0
107.08586	17.6
109.02898	2.0
109.06535	7.0
109.10161	4.0
116.98592	3.0
117.07050	2.1
119.08578	38.4
121.06481	1.9
121.10143	25.6
123.04448	1.7
123.08086	5.4
123.11703	20.8
125.05998	3.2
127.07556	2.3
129.07034	5.1
131.08562	5.2
133.06487	2.7
133.10121	17.7
135.08052	4.0
137.05945	8.7
137.13254	2.8
145.10106	3.2
147.11682	94.5
148.05194	6.1
149.09615	2.6
153.05447	3.7
157.10155	7.5
161.05998	3.2
161.13138	1.7
163.03949	3.3
163.07555	9.2
165.12746	67.8
167.07079	2.1
173.13246	1.8
175.11194	12.0
178.06313	4.7
183.13956	2.4
193.08636	4.6
193.12247	27.8
193.35487	1.7
194.12489	1.8
197.15312	16.7
211.13324	3.3
218.22215	1.6
225.14894	6.2
229.14308	3.2
243.15959	4.4
267.15909	18.8
285.07581	4.1
285.17007	4.1
289.10764	2.7
299.18506	53.2
317.06830	3.2
317.10123	7.5
317.13754	2.7
317.21100	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01860	3.6
55.05511	10.4
56.96548	1.6
57.03436	8.0
59.04993	1.3
67.05502	35.0
69.03421	2.4
69.07066	16.8
69.92197	5.4
71.04986	5.2
73.06546	2.3
79.05490	18.7
81.03413	1.6
81.07054	98.3
83.04971	8.0
83.08616	7.2
85.06549	6.2
91.05477	35.4
93.07040	13.4
95.04994	6.5
95.08602	20.1
97.02846	1.2
97.06531	11.3
98.97568	1.4
99.08080	3.9
99.15957	1.0
102.73902	0.9
105.07030	45.5
107.04955	3.5
107.08591	14.9
109.06499	8.5
109.10142	2.6
111.04463	1.1
111.08104	1.1
113.06028	1.1
114.76700	1.1
116.98618	1.8
117.07000	1.9
119.08575	34.7
121.10130	21.9
123.08051	3.5
123.11710	25.6
129.07013	5.1
131.08553	7.0
133.06461	1.3
133.10129	17.2
135.08084	1.7
135.11598	1.4
137.05972	3.7
137.09601	1.9
137.13254	5.9
141.09085	1.8
142.07819	1.1
145.10130	2.4
147.11679	100.0
148.05333	1.0
149.09602	2.3
151.07541	1.5
157.10106	10.6
163.07487	2.9
165.12749	70.1
167.07002	1.5
167.30992	1.0
175.11171	12.0
178.06284	2.0
183.13884	1.3
193.12234	34.9
197.15364	20.2
211.13293	2.0
223.53148	1.0
225.14868	7.7
229.14345	4.0
233.08208	1.2
243.15926	5.0
267.15918	23.1
285.16937	5.3
299.18524	54.1
317.06512	2.8
317.09988	1.8
317.17358	2.6
317.21161	3.3
317.24747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Lespedezavirgatol
Peak:m/z	Relative Intensity
55.05507	2.9
56.96537	1.3
57.03432	1.5
67.05502	3.6
68.99786	1.4
69.07063	1.7
69.86820	4.6
75.10114	1.0
79.05485	4.0
81.07063	9.8
83.08628	1.6
91.05473	4.4
93.07051	3.4
94.04168	3.2
95.04942	1.4
95.08607	3.9
97.06525	1.1
98.21473	1.5
105.07038	5.4
107.04948	3.4
107.08594	3.3
109.06509	3.5
109.10190	1.0
119.08583	5.8
121.10131	1.9
122.03646	7.3
123.11707	2.1
129.07007	1.7
131.08553	1.5
133.10138	4.0
137.05972	100.0
137.09616	2.0
138.03113	12.0
138.06265	2.7
141.06999	2.4
143.08524	1.7
145.06538	1.7
147.11671	8.0
149.09618	1.5
153.05466	31.8
157.06519	1.7
158.07256	1.1
161.09592	3.3
163.03879	1.1
165.12740	4.9
168.05695	4.2
169.06487	3.7
171.11678	0.9
173.05936	1.1
175.11208	1.1
185.05997	5.0
186.06693	2.2
193.12308	2.2
196.05167	2.7
197.06004	4.3
197.15332	1.6
199.14841	1.2
200.04695	1.3
201.05435	3.5
202.06247	2.9
213.05444	8.5
214.06192	5.4
215.07021	3.5
224.04697	3.4
225.05496	4.2
227.07050	1.1
228.04094	1.7
229.04985	3.8
229.08595	2.0
231.06506	3.4
232.03644	2.3
241.04767	2.9
242.05757	9.6
243.06281	5.1
252.04166	2.0
253.04955	3.3
255.02892	1.6
256.07068	2.0
257.04520	1.5
257.08112	5.3
259.05887	5.4
269.04449	3.7
270.05194	11.3
271.06128	2.1
274.08118	2.0
285.07565	75.3
286.04761	1.4
286.08038	5.0
287.05347	5.5
289.10706	32.3
289.13858	2.1
290.11157	1.8
299.18671	3.4
302.07687	11.9
317.10129	95.6
317.21167	3.0
317.28506	1.3
318.10516	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
53.03939	0.9
54.50458	0.7
55.01867	0.6
65.03943	1.9
67.05499	1.7
67.33150	0.6
68.99773	0.8
69.07063	1.4
69.81499	4.2
69.81900	1.5
73.77142	0.7
79.05493	6.1
81.03418	2.3
81.07044	3.9
85.02906	0.9
91.05011	0.7
91.05493	6.1
93.07027	1.1
95.04969	9.6
95.08604	1.1
95.82059	0.7
97.02985	0.7
97.06545	0.9
103.05482	1.0
105.03356	1.0
105.07018	1.9
107.04954	60.0
107.08583	1.7
109.02879	1.8
109.06522	1.4
109.10139	1.1
110.03672	1.1
111.04449	1.8
115.05464	0.7
119.04939	8.5
119.08605	1.2
121.06520	1.8
121.10130	1.4
123.04430	11.3
124.05209	3.0
125.05966	0.9
127.03889	1.0
129.07019	1.0
130.04140	0.6
131.08578	1.2
133.02812	3.6
133.10074	1.0
135.04413	100.0
135.11722	1.0
136.04787	2.1
137.02345	11.1
137.05939	3.3
138.03102	0.8
139.03882	2.5
139.07555	4.9
140.04691	3.3
141.05453	1.3
141.06961	1.4
143.08600	1.0
147.04404	19.8
148.05107	0.9
149.02394	0.9
149.06035	1.7
149.19048	0.7
150.03088	0.9
151.03896	2.1
151.07539	2.2
152.04681	2.7
153.01796	1.0
153.05499	6.1
153.06676	1.0
154.06013	0.6
155.07030	5.6
155.08458	1.1
161.05942	1.2
163.03900	47.0
164.04424	1.9
165.05429	2.2
165.06961	1.4
167.07059	14.8
167.08432	1.6
168.05655	1.0
169.06410	1.6
179.07033	20.0
180.07622	1.0
181.05049	1.0
181.06488	1.2
183.06526	3.9
183.08047	1.7
185.05887	1.0
186.06731	2.0
191.06999	1.0
196.05179	1.2
197.05957	4.5
198.06752	1.3
201.09035	1.8
203.14388	0.8
207.06503	4.9
211.07553	2.2
213.05476	1.4
214.06081	1.6
215.07109	0.8
221.06042	0.8
225.05479	1.4
229.08611	9.5
231.06589	1.3
238.06157	1.8
239.07050	2.4
240.07735	0.9
241.04971	1.1
241.08578	0.8
242.05634	2.2
243.06505	1.0
253.05077	0.8
257.08026	4.8
258.08829	1.2
267.06488	2.4
268.37863	0.8
269.04440	1.6
274.08304	1.9
281.19055	0.7
283.05872	1.2
284.06479	1.6
285.07513	2.9
286.08252	1.3
287.05139	1.0
289.10709	23.6
299.09143	10.2
299.20169	1.0
302.04181	1.0
302.07294	3.7
317.10172	73.2
317.20993	2.0
318.10532	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03922	0.5
67.01855	0.2
68.99777	0.5
69.03415	0.2
69.58215	0.5
69.58659	0.5
81.07027	0.2
85.02904	0.1
91.05492	0.2
92.02623	2.8
93.03402	2.6
95.01315	0.1
98.21463	0.3
107.04978	0.2
109.02924	0.3
111.00796	0.3
114.40571	0.1
120.02043	0.2
121.02867	1.9
122.03606	0.2
126.03113	1.0
133.02823	0.2
135.04396	0.2
137.02327	0.4
137.05931	0.6
139.02893	0.2
139.03909	1.6
145.06442	0.4
151.03905	1.1
152.01051	0.2
153.01826	15.1
154.02200	0.1
159.04300	0.1
161.05975	0.3
163.03918	0.4
163.07513	0.4
165.01804	0.9
166.02547	0.2
167.03413	0.2
167.07045	0.1
172.11066	0.1
173.05946	0.2
176.04823	0.1
177.05455	0.5
178.06332	0.2
179.03357	0.4
183.02919	0.3
183.04454	0.3
184.35075	0.2
187.03917	0.3
189.05479	0.2
190.06255	0.3
193.08588	0.2
200.04697	0.8
201.05457	1.8
203.03387	1.6
204.04158	0.2
217.04968	2.3
218.05736	1.2
218.11783	0.6
219.02968	0.6
228.04160	3.3
228.10194	0.2
229.04942	6.6
230.05573	0.3
231.02846	1.1
232.03647	0.2
239.03578	0.1
243.06525	0.2
245.04451	3.7
246.02795	0.2
246.05235	3.3
246.11221	0.2
247.02194	0.1
256.03741	0.5
257.04440	3.9
258.05093	0.3
260.03281	0.7
261.07535	0.5
271.06097	0.2
273.03976	3.2
274.04718	6.3
275.05060	0.3
284.03128	0.8
285.03937	6.9
287.01978	0.3
288.06299	0.3
289.11429	0.2
299.09357	0.4
301.03387	0.6
302.04208	20.0
303.04501	0.4
317.06552	100.0
318.06894	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09525	0.1
53.03932	0.1
55.01863	0.1
65.03928	0.5
67.01862	0.1
67.05501	0.1
68.99770	0.4
69.03423	0.2
70.89593	0.1
70.89912	0.1
79.05468	0.1
81.03416	0.2
81.07044	0.3
85.02887	0.1
85.06531	0.1
91.05453	0.1
92.02612	2.9
93.03397	2.6
93.07045	0.1
94.04179	0.1
95.01322	0.1
95.04955	0.2
95.08571	0.2
97.02866	0.1
99.38776	0.1
105.03346	0.1
105.07020	0.2
107.04928	0.1
107.08559	0.1
109.02871	0.5
109.10102	0.1
111.00764	0.3
111.04346	0.1
117.06982	0.1
119.08555	0.1
120.02071	0.1
121.02858	2.0
122.03611	0.3
123.04420	0.2
124.01601	0.1
124.05212	0.1
126.03126	1.2
129.92046	0.1
131.04932	0.1
131.08592	0.1
133.02844	0.2
133.06502	0.1
134.92326	0.1
135.04393	0.2
137.02321	0.5
137.05960	0.2
137.13268	0.1
138.03053	0.1
139.03882	1.4
139.04890	0.1
145.02805	0.1
145.06451	0.2
147.04358	0.2
149.02277	0.1
150.03101	0.2
151.03891	1.4
151.05089	0.1
152.01036	0.1
153.01810	15.6
154.02272	0.2
155.04863	0.3
159.04430	0.1
161.05956	0.2
163.03908	0.4
165.01808	1.1
165.05496	0.1
165.12856	0.1
166.02597	0.3
167.06967	0.1
170.02094	0.2
171.04445	0.1
173.05927	0.4
176.04677	0.2
177.01822	0.1
177.05502	0.4
178.02539	0.1
179.03357	0.3
181.06456	0.1
183.02872	0.4
183.04399	0.3
185.05902	0.1
187.03880	0.3
189.05444	0.2
190.06282	0.2
191.03389	0.1
192.04218	0.2
193.01241	0.1
200.04630	0.6
201.05453	1.6
203.03377	1.3
204.04175	0.2
205.04988	0.2
211.03871	0.2
213.05479	0.1
215.03404	0.1
215.06888	0.1
216.04163	0.1
217.04944	2.4
218.02151	0.1
218.05725	1.1
219.02908	0.5
228.04138	3.2
229.04933	7.2
230.05496	0.1
231.02870	1.1
232.03618	0.2
233.04425	0.1
233.08139	0.1
234.01759	0.1
239.03441	0.2
243.06520	0.2
245.04439	3.6
246.05203	3.3
247.02383	0.1
247.05466	0.1
256.03662	0.5
257.04422	4.2
258.05161	0.1
260.03195	0.7
261.07465	0.6
271.06015	0.4
273.03900	3.3
274.04694	6.6
275.05038	0.2
284.03131	0.8
285.03912	7.7
286.04544	0.3
287.01810	0.3
288.06207	0.4
299.05533	0.1
299.08917	0.1
299.20273	0.1
301.03363	0.4
302.04178	22.1
303.04501	0.5
317.06519	100.0
318.06870	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.86206	0.1
55.05512	0.1
65.03936	0.7
67.01859	0.2
67.05492	0.2
68.99789	0.3
69.03415	0.3
69.07054	0.1
70.51899	0.3
70.52298	0.2
79.05498	0.2
81.03423	0.2
81.07056	0.6
85.02898	0.1
91.05477	0.2
91.28439	0.1
92.02620	3.0
93.03406	2.8
93.07028	0.1
95.04992	0.2
95.08586	0.3
97.00858	0.1
98.20766	0.1
105.07053	0.3
107.04959	0.2
107.08584	0.2
109.02863	0.4
109.06478	0.2
109.10087	0.1
109.28270	0.1
109.35001	0.1
111.00804	0.5
111.04467	0.1
115.05467	0.1
117.07025	0.1
117.41930	0.1
119.08570	0.1
120.02104	0.2
121.02852	2.1
121.06536	0.2
121.10086	0.2
122.03630	0.2
123.04440	0.2
124.01514	0.1
126.03131	0.9
131.04897	0.2
131.08632	0.1
133.02852	0.3
135.04393	0.3
136.07558	0.4
137.02322	0.7
137.05954	0.3
139.03902	1.5
145.06465	0.2
149.02386	0.1
150.03134	0.2
151.03900	1.5
151.07504	0.1
153.01817	16.0
155.04948	0.2
161.06006	0.2
162.03137	0.2
163.03859	0.4
163.07605	0.1
164.07068	0.2
165.01825	1.0
166.02603	0.3
167.07002	0.2
170.02110	0.3
173.06001	0.4
175.07529	0.1
176.04720	0.1
177.01872	0.1
177.05516	0.5
179.03374	0.4
183.02856	0.4
183.04430	0.3
187.03946	0.2
189.05386	0.3
190.06209	0.3
200.04634	0.7
201.05467	1.8
203.03386	1.4
204.04137	0.2
211.03926	0.2
213.05489	0.2
217.04968	2.7
218.05727	1.4
219.02921	0.6
228.04150	3.6
229.04953	7.3
231.02834	1.0
232.03697	0.2
233.04556	0.1
239.03401	0.2
243.02808	0.1
243.06520	0.3
245.04439	3.5
246.05215	3.5
247.02136	0.1
253.13074	0.1
256.03656	0.6
257.04425	4.2
258.04932	0.2
260.03146	0.5
261.07581	0.4
271.06021	0.6
273.03903	3.6
274.04703	6.8
275.05176	0.2
281.12842	0.1
284.03223	0.8
285.03922	8.0
286.04498	0.3
287.01865	0.2
288.06216	0.4
299.09235	0.1
299.13907	0.2
301.03519	0.4
302.04193	22.5
303.04596	0.5
317.06537	100.0
318.06912	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
54.03835	0.3
55.01863	0.7
55.05508	5.0
56.05030	3.7
57.03433	0.7
57.07065	1.5
59.68934	0.3
60.04522	100.0
61.04859	0.5
67.05506	6.9
68.05022	0.7
69.07068	5.3
70.59613	1.2
70.68037	0.3
71.08642	0.8
72.04505	2.0
72.36498	0.4
73.02908	0.4
74.06086	2.6
78.35946	0.3
79.05492	3.4
80.05025	0.7
81.07054	7.5
82.06567	1.5
83.04970	0.8
83.08620	3.5
84.04478	0.5
85.10178	0.6
86.06042	0.5
87.04499	0.6
88.07639	0.3
90.05546	1.4
91.05459	2.8
93.07038	3.4
94.06586	1.0
95.04971	0.6
95.08598	7.2
96.08127	0.7
97.06548	0.8
97.10168	2.1
98.06041	0.6
100.07663	0.5
105.07028	1.3
107.08575	1.5
108.08107	0.4
109.10137	2.5
109.34669	0.3
111.11728	0.8
112.07566	0.4
116.07059	0.4
119.08605	1.2
119.09906	0.4
120.58827	0.3
121.10124	1.9
122.09698	0.4
123.11705	0.7
133.10129	1.0
135.11708	0.8
219.21033	0.4
245.22673	0.5
250.25316	1.3
262.25253	1.9
263.23749	0.6
268.26154	0.5
280.26349	12.2
280.45532	0.4
281.26776	0.8
284.66791	0.3
298.27402	14.9
299.27704	1.2
316.28448	58.8
317.28754	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	316.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	1.5
55.05509	8.2
56.96564	3.2
56.96801	0.5
57.03438	15.7
59.04996	4.9
61.02928	10.4
62.06091	1.2
69.03426	8.1
69.07072	0.6
70.83087	2.0
71.01360	0.8
71.04990	13.8
73.02916	25.2
73.06555	1.6
79.05491	0.6
81.03395	3.1
83.04979	21.9
84.08125	0.8
85.02905	15.0
87.04467	1.6
91.03946	1.1
91.05453	0.7
97.02886	8.1
98.97578	3.8
99.04460	1.6
101.00817	1.0
101.06015	100.0
102.06344	1.4
103.02382	0.7
109.02856	2.7
111.04434	1.6
112.99113	1.0
115.03957	3.7
116.98608	2.6
117.05484	0.9
119.01917	3.5
119.07054	6.5
122.02734	1.5
123.09191	1.4
125.05984	1.6
125.10741	1.0
127.03915	4.1
128.98616	1.1
130.08575	0.8
131.00171	2.2
131.01894	1.6
133.03473	2.9
134.99637	1.4
136.07581	1.3
137.02980	0.9
137.05974	1.8
137.08086	21.9
140.02406	0.7
143.01889	1.5
145.03464	1.3
145.04982	2.0
146.99678	1.4
147.01364	1.2
147.05090	1.0
149.01228	1.6
149.02917	0.9
151.08701	1.2
153.04356	0.8
153.05441	4.7
154.04964	0.7
154.06075	1.3
154.08641	1.1
155.01884	1.2
155.05623	1.0
157.01605	0.6
157.03438	1.8
158.99652	1.4
159.05051	1.8
161.01253	1.3
161.02966	3.6
161.05513	2.8
163.02892	0.6
163.04503	0.8
169.04424	1.8
169.09737	5.9
170.06070	2.1
170.99698	1.0
171.05037	0.6
173.01317	1.0
173.02974	2.9
175.02776	0.7
175.04539	2.0
177.00746	1.6
177.05533	1.0
178.04932	3.6
184.06180	0.6
187.04509	1.2
189.00742	1.0
189.02383	0.8
189.55769	0.8
191.02228	1.3
195.06462	4.2
201.00717	0.8
203.04108	1.3
207.03545	1.7
219.01823	2.3
219.07150	4.3
221.05139	2.6
229.04791	0.7
231.07042	2.8
232.07018	0.9
233.08862	0.8
235.06676	0.7
235.56352	0.6
236.07529	2.1
237.02817	2.1
242.07982	0.7
242.72427	0.6
245.05089	4.3
250.07188	1.8
251.04474	0.7
251.08620	1.2
253.07944	0.7
255.07179	1.2
257.01340	1.1
259.06927	0.8
263.06226	1.1
269.05484	0.9
273.08420	0.8
274.14346	0.6
279.07428	0.6
280.08221	2.3
291.09323	0.8
295.08737	0.7
299.13455	1.5
305.07239	1.7
316.10068	2.0
316.15118	2.6
317.02582	0.8
317.10004	3.5
319.08777	2.0
321.10306	23.8
337.08005	1.4
339.11230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.05498	1.0
56.96565	0.3
62.84375	0.3
67.05491	0.3
69.03413	0.3
70.06595	0.5
70.51660	0.3
70.91747	0.2
71.30109	0.7
72.08161	0.5
72.96152	0.2
79.05463	0.8
81.03399	0.3
81.07059	1.4
82.06564	0.3
83.08602	0.3
85.02892	0.8
86.09689	0.6
93.07038	0.4
95.05006	0.2
97.02903	0.3
97.05275	0.6
97.06516	0.2
98.06060	0.8
98.97575	1.2
105.07013	0.8
107.08594	0.4
108.08100	0.6
109.06520	1.2
110.06049	0.4
116.98602	0.9
119.08572	0.4
121.10158	0.7
124.07566	0.5
125.08380	0.3
126.09131	1.1
133.10100	0.3
138.09145	0.3
139.06241	1.0
147.11681	0.7
149.09558	1.3
154.08618	100.0
155.09016	0.7
167.10651	0.3
177.09122	1.1
179.08554	0.3
185.16629	0.3
189.12862	0.5
195.10226	1.8
207.03470	0.4
207.08025	0.6
213.07840	0.3
235.07509	0.6
253.08629	0.8
270.11517	1.6
271.10333	0.3
299.09525	1.0
305.10593	0.6
316.11844	3.8
317.11520	0.4
323.11560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17355	0.3
53.03947	0.8
55.01858	0.9
55.05502	0.5
56.96558	7.3
56.96836	0.5
57.03436	4.0
57.16245	0.4
59.04991	0.6
61.02914	3.8
65.03953	0.5
67.05501	2.6
68.04997	0.4
69.03421	7.4
69.07066	0.4
70.01018	0.4
70.03745	0.4
70.06401	1.1
71.01337	0.5
71.04984	2.7
73.02911	8.5
74.97627	0.6
79.05473	0.6
80.04958	0.4
81.03406	2.6
81.07034	0.8
83.04962	1.1
83.06107	1.0
84.08125	0.6
84.96033	0.6
85.02897	13.7
85.06515	0.4
86.03217	1.1
86.09698	0.5
87.04445	2.1
87.46808	0.4
89.03915	0.4
91.03936	0.9
91.05469	1.5
93.05775	0.4
95.04912	0.4
95.06056	0.4
97.02876	8.2
98.03216	0.6
98.06045	0.3
98.97572	7.1
99.04466	1.6
101.00858	0.6
101.06000	5.1
102.96895	0.3
106.06524	0.7
107.04946	0.5
108.08109	6.5
109.02859	1.7
109.06535	0.5
110.01292	0.4
110.06039	0.8
110.97582	1.1
112.99126	1.1
113.07147	0.9
115.03920	0.9
116.98603	6.7
117.03365	1.0
118.06520	1.2
119.01875	1.7
119.04899	0.4
122.07142	0.9
123.06759	0.8
123.07561	0.4
123.09180	2.2
124.07599	1.0
124.99111	0.4
125.05988	0.6
125.10735	2.0
126.09238	0.3
127.03925	3.3
128.04108	0.4
128.98605	1.9
130.08577	0.5
131.00159	2.3
131.01854	0.9
132.02538	0.4
133.03409	0.7
133.04987	0.4
134.06017	0.5
134.99654	3.8
135.03131	0.5
136.07562	100.0
137.02870	0.4
137.05992	3.6
137.08104	1.4
138.05438	0.8
138.09099	1.3
139.03348	0.5
141.01178	0.4
143.00136	0.7
143.01898	0.5
145.01712	0.5
145.02734	0.7
145.03575	0.5
145.04965	2.6
146.99612	2.6
147.04398	0.4
149.01208	2.2
151.08687	1.9
152.07050	0.8
153.05716	1.6
153.55861	0.8
154.03816	0.8
154.08612	48.3
155.00098	0.4
155.09035	0.4
156.03601	0.6
157.03387	0.5
158.99582	1.7
159.03226	0.7
159.05014	0.4
161.01219	1.3
161.02835	0.8
161.55760	0.6
162.05435	0.4
163.02750	0.9
163.04385	0.9
164.07091	0.4
165.00771	0.4
165.07393	0.9
169.04372	2.5
169.09702	9.8
169.54456	0.5
170.05128	1.1
170.55261	0.8
170.99628	0.7
173.01239	1.7
173.02965	0.9
174.03212	0.4
175.02750	1.4
175.04333	0.5
177.00720	2.7
177.02077	0.5
177.04251	1.3
177.05536	1.4
178.04915	9.4
178.55087	0.7
179.02261	0.6
179.07529	0.4
179.70410	0.4
182.06053	0.3
183.54282	0.4
184.04716	0.4
185.02765	0.5
187.02817	0.8
189.00702	0.7
189.04192	0.4
189.06033	0.3
189.55685	0.8
190.95570	0.6
190.98625	1.1
191.02293	1.9
191.03906	0.6
191.05722	0.9
192.04637	0.3
193.03778	0.7
193.92548	0.4
194.04214	0.4
195.06627	0.6
197.06610	0.4
198.04552	0.7
200.06259	0.5
201.00784	0.7
201.46452	0.3
203.02286	0.6
203.03986	0.5
203.07613	0.5
205.03835	0.4
206.04330	0.5
207.01616	0.4
207.05147	0.4
208.99641	0.4
211.04900	0.6
212.04662	0.4
213.03270	0.5
213.05132	0.5
214.11781	0.4
215.07600	0.4
217.03754	0.5
217.08849	0.3
218.98082	0.4
219.01727	3.1
220.05865	0.7
221.05087	0.8
222.05252	0.3
226.05865	1.4
228.05534	0.5
231.04698	0.4
231.07126	0.6
232.07059	0.6
232.99579	0.4
234.08159	0.8
234.58046	2.0
235.06371	4.0
235.08347	1.5
235.56630	0.7
237.02798	5.0
242.03229	0.6
249.06474	0.4
250.07033	3.0
251.04489	0.8
252.09750	0.5
255.04018	0.7
264.06262	0.4
269.05432	0.6
270.10947	0.7
274.97534	2.0
275.04327	0.6
279.03867	0.4
287.06317	0.5
292.98541	2.0
305.10733	1.3
315.60403	1.8
316.10135	2.4
316.13895	65.4
317.05679	1.1
317.09000	2.0
317.14352	0.6
319.06659	0.4
321.10544	0.6
322.10434	0.4
323.09927	0.7
335.06461	0.9
337.08087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.5
57.07068	6.1
58.06596	3.7
67.05495	4.3
69.07059	3.7
69.63173	5.4
69.63595	5.4
71.04989	1.7
79.05477	4.2
81.07054	6.8
83.04956	4.7
83.08633	2.0
85.06537	4.0
91.05466	5.7
93.07050	11.3
95.04965	2.2
95.08601	9.3
97.06521	5.3
105.07038	3.4
107.04950	5.8
107.08592	15.3
109.06481	2.5
109.10151	3.8
110.73860	1.5
111.04440	67.0
111.08088	2.1
117.06979	2.3
119.00137	1.3
119.08536	2.6
119.33655	1.4
121.06495	2.8
121.10128	3.7
123.08086	2.2
125.05989	39.9
127.07476	3.0
133.59322	1.5
135.08051	14.7
135.11662	16.8
139.07533	2.8
145.10094	13.0
153.12753	5.1
153.60086	1.6
163.11211	17.5
177.38127	1.6
181.12228	100.0
182.12775	3.3
206.31438	1.5
231.58586	1.4
276.72763	1.2
287.62308	1.6
297.18619	2.0
299.11130	13.7
300.06116	1.9
300.11682	9.9
315.08771	6.6
315.14133	30.4
315.17874	6.1
315.23187	3.3
315.27655	1.5
328.94028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
54.94471	1.4
55.01867	1.8
55.05496	5.2
56.96552	4.4
57.07071	1.6
60.04519	1.4
67.05495	5.5
68.99779	1.9
69.03414	6.6
69.07053	4.6
69.46430	11.8
75.34948	1.4
79.05488	23.1
81.03412	2.5
81.07049	12.9
83.04989	7.3
83.08603	2.2
86.41119	1.3
88.69447	1.5
91.05496	8.6
93.07031	8.3
95.04945	5.1
95.08614	6.9
97.06510	3.7
97.86761	1.5
98.97588	5.4
105.03431	1.7
105.07040	12.9
107.04957	12.9
107.08592	9.2
109.02854	1.5
109.06496	4.1
109.10151	6.6
111.04301	1.5
116.98606	4.2
117.07044	3.2
119.04948	1.6
119.08567	10.2
120.05751	1.5
121.06492	9.1
121.10152	7.1
122.07276	4.1
123.04397	4.1
123.08089	2.7
123.11667	2.3
129.06947	2.0
129.70282	1.5
131.08577	4.9
133.06493	4.8
133.10161	6.9
134.99658	3.2
135.04404	9.2
135.08054	16.0
135.11755	1.7
136.16002	1.8
137.05948	4.0
137.09622	20.9
141.07005	2.7
142.07753	2.9
142.83250	1.6
143.08548	3.9
145.06482	2.8
145.10118	5.4
147.08022	2.0
147.11667	5.5
151.03902	11.5
153.05437	3.5
155.08588	2.0
157.10152	4.9
159.08049	100.0
160.08304	2.3
161.05930	1.8
161.09616	5.5
161.13213	2.1
163.03889	8.8
163.11151	3.6
171.08188	2.2
171.11639	4.5
172.08844	1.8
175.11212	2.0
175.14952	1.5
177.00687	2.3
177.05539	1.5
185.09596	3.0
185.13206	1.5
187.11191	2.5
189.05492	1.7
189.12752	4.5
191.03401	46.0
192.03716	1.8
195.08078	1.9
197.06046	2.1
198.10460	1.8
199.11192	2.0
203.14296	2.1
213.09138	3.0
213.12743	11.3
213.16566	1.6
223.11214	2.1
226.06218	2.3
227.06918	2.1
227.10780	1.8
231.13901	2.0
237.05414	2.0
241.12277	3.1
254.05861	7.3
255.06526	5.4
257.04547	2.6
259.09781	2.3
272.06635	3.0
272.51709	1.7
273.07535	3.5
279.17416	2.2
282.05112	6.9
283.06049	5.0
283.09708	3.3
285.03949	3.5
297.18475	15.4
299.05545	3.4
299.11118	6.2
300.06357	8.9
300.11728	4.4
301.07111	3.0
315.08572	54.6
315.11432	3.4
315.14600	14.1
315.19489	9.7
315.22894	2.1
315.26926	2.2
316.08997	7.8
331.09921	1.7
333.08759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.78270	1.5
55.01865	9.9
55.05511	9.5
56.96557	6.9
57.03408	2.4
57.07061	4.3
58.49284	1.3
59.04974	4.1
65.03928	5.5
67.05504	13.6
69.03427	22.5
69.07063	17.8
70.97659	1.4
71.04980	2.7
71.61087	2.6
72.08120	1.4
73.02901	2.2
79.05490	25.8
81.03400	2.6
81.07052	21.4
83.04974	14.7
83.08620	4.2
84.64982	1.4
84.96031	2.8
85.02890	5.1
85.06521	2.8
91.05480	43.8
93.07031	37.1
95.04975	11.5
95.05914	1.5
95.08607	25.1
95.09174	3.3
97.02883	8.8
97.06512	2.6
98.97580	16.3
103.05466	3.2
105.07024	81.1
107.04946	12.5
107.08591	62.8
107.24034	1.5
109.02857	2.8
109.06509	37.5
109.10152	13.2
111.04460	1.8
111.08059	2.7
111.11635	1.7
112.99124	2.0
115.05415	3.1
116.06200	5.6
116.98631	16.9
117.07016	5.2
119.06071	4.1
119.08587	13.8
121.02845	5.6
121.06467	9.4
121.10132	18.6
122.03641	2.1
123.04409	6.3
123.08051	4.7
123.11694	5.9
125.02340	5.0
125.05987	13.1
125.09608	2.5
128.06267	2.3
129.06976	6.1
131.00143	4.1
131.04951	2.9
131.08569	57.1
133.06451	2.1
133.10123	44.9
134.99634	13.4
135.04422	14.1
135.08044	38.9
135.11674	10.0
137.02321	3.2
137.05992	5.7
137.09608	59.8
137.13239	3.7
139.03822	2.1
139.11171	2.9
142.07771	1.7
143.08539	4.8
145.06468	2.1
145.10112	12.4
146.03658	2.4
147.04393	2.4
147.08002	2.7
147.11690	5.2
149.01201	6.6
149.02335	4.4
149.05981	2.8
149.09592	13.0
149.13234	4.1
151.07478	3.6
153.00682	1.6
153.05455	6.8
153.06744	1.6
156.09317	1.9
157.10107	4.9
158.99637	6.4
159.08054	29.9
159.11658	5.1
160.97534	2.0
161.05974	9.4
161.13239	3.1
163.03906	3.3
163.11188	10.6
165.05591	2.4
165.07028	4.5
167.06964	1.9
167.08453	2.0
169.06384	2.5
171.08061	2.4
171.11685	5.6
173.01180	5.7
173.09555	3.5
173.13278	4.4
177.00800	8.5
177.09099	100.0
179.07042	4.2
182.11429	1.6
182.48021	1.6
185.13210	4.7
187.14842	4.1
191.02179	9.1
191.10616	12.1
194.07260	2.8
195.08008	5.3
195.11635	2.7
195.13425	1.6
197.06018	2.7
198.06589	1.7
200.02275	1.8
201.00690	2.4
201.05370	1.8
202.98627	4.3
209.11697	38.7
209.13599	2.2
211.07501	2.8
211.14868	2.7
212.04517	2.1
212.08443	1.7
213.12724	5.9
214.03798	2.9
215.06982	2.6
219.01741	4.3
223.07468	7.3
225.05479	2.9
226.06221	5.5
227.06953	4.0
229.04930	3.2
231.13728	3.0
237.05566	2.6
237.09109	3.1
239.07068	2.4
240.07750	2.8
241.04945	3.8
241.12286	3.6
244.03676	2.0
244.99579	8.4
251.06984	3.3
251.17766	2.5
253.04936	3.8
253.08635	2.0
254.05824	8.4
254.09358	4.0
254.13496	2.7
255.06418	10.1
255.10086	6.0
256.07153	3.2
257.04474	5.1
259.09683	15.7
259.13525	1.8
263.00668	3.5
263.13812	1.8
265.08417	3.6
268.01224	1.7
268.07303	2.6
269.07950	1.9
269.18967	7.2
271.06122	3.8
272.06674	3.1
279.23120	2.2
282.05170	6.9
283.06033	4.0
283.09552	25.2
284.10248	3.2
285.03860	4.2
286.08118	1.8
287.05426	4.0
287.08990	6.3
297.04010	1.9
297.11285	2.1
297.18454	4.2
299.05515	5.8
299.11108	6.2
300.06448	8.1
300.11926	3.2
315.05328	2.9
315.08801	67.1
315.12271	24.6
315.14404	9.4
315.19519	18.9
315.23224	3.9
315.26572	2.6
316.08936	7.9
316.12439	3.6
325.48138	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.3
55.05509	6.8
56.56897	1.3
56.96555	2.7
57.03415	6.1
61.02910	5.3
64.40354	1.4
67.05507	6.6
69.03426	12.7
69.07063	7.3
71.01371	2.2
71.04991	23.9
71.60593	1.8
73.02905	5.5
79.05491	9.5
81.03405	7.4
81.07047	14.4
83.04971	4.1
83.08585	1.9
85.02898	23.3
85.06554	2.0
91.05476	12.9
93.07036	21.1
95.04957	8.3
95.08591	14.0
97.02894	9.9
97.06522	4.1
102.60866	1.3
103.03941	5.1
103.05419	2.7
105.07027	22.6
106.01247	1.3
107.04950	4.6
107.08583	19.3
108.04504	1.4
109.02859	3.1
109.06528	9.7
109.10151	5.6
111.04413	3.4
111.08030	1.9
115.03928	5.0
115.05457	3.5
117.07008	7.6
119.08579	24.1
121.02866	1.5
121.06493	6.0
121.10118	5.8
123.08059	7.8
123.11713	2.7
127.03925	3.5
128.06186	1.9
129.05487	3.0
129.06992	5.4
131.08574	14.4
133.04951	4.3
133.06490	4.7
133.10117	4.7
135.08067	4.6
135.11682	8.9
137.05974	8.5
137.09610	5.6
138.09172	1.3
139.07628	1.7
139.11191	2.1
140.07062	4.9
142.07849	1.9
143.08571	5.7
145.06453	2.6
145.10123	12.9
147.04370	2.5
147.08054	15.0
147.11673	5.0
148.07547	3.3
149.05992	2.0
149.09604	3.8
151.07559	2.9
151.11168	5.5
153.05446	1.5
153.12738	5.3
155.08572	4.3
157.10146	3.3
159.08031	6.2
159.11710	5.0
161.06006	4.9
161.09669	3.9
161.13297	2.3
163.11169	6.6
165.09096	2.2
165.12740	19.2
168.06609	2.5
171.08026	3.8
171.11642	3.5
173.09644	9.1
173.13240	5.4
175.07553	4.1
175.11186	2.1
177.00719	1.8
177.12766	9.1
183.07935	1.7
183.11720	2.5
189.09097	2.0
189.12778	6.5
191.07089	1.3
191.10663	3.8
194.07300	1.7
195.02869	2.3
195.08034	3.0
195.13779	2.4
198.09149	2.0
199.08652	5.9
201.12766	4.0
207.13850	3.7
208.05174	2.9
209.11646	1.4
213.10310	2.0
215.14212	1.4
219.13727	3.2
221.70796	1.4
223.07516	2.6
225.10249	6.4
226.08659	2.0
227.08092	4.1
227.11938	1.8
231.13777	4.5
237.09151	2.7
240.07896	1.7
243.11473	2.2
243.13795	2.6
255.11403	17.7
261.14825	8.1
265.08527	4.4
269.08325	2.0
269.12808	6.4
279.15979	5.3
282.08661	1.4
283.09546	10.4
297.12000	5.3
297.17059	3.6
299.11002	3.7
300.11911	1.9
315.04947	2.5
315.08258	11.7
315.13385	100.0
315.18225	5.5
316.13672	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11127	2.9
53.03939	5.2
55.01873	8.3
55.05499	11.3
57.03426	11.8
60.58264	3.1
60.59318	3.3
61.02909	6.9
63.13493	3.4
67.05498	16.3
69.03439	22.6
69.07065	7.8
69.60218	23.2
71.01360	4.2
71.04994	8.3
73.02898	9.1
79.05491	20.2
81.03414	21.9
81.07058	39.3
83.04991	6.1
83.08598	4.8
84.08141	20.7
85.02901	60.1
91.05483	22.1
93.07037	82.7
95.04952	14.7
95.08621	27.4
97.02886	15.1
97.06537	8.2
97.59599	3.2
98.20795	5.7
99.04445	9.7
103.03965	8.3
105.07027	29.3
107.04955	5.5
107.08581	75.6
109.02872	8.9
109.06508	8.0
109.10152	10.3
111.04421	6.1
111.08112	4.2
115.03920	5.3
117.07007	6.9
119.04932	3.2
119.08581	20.9
121.06516	5.1
121.10151	18.9
123.04443	7.4
123.08031	4.2
123.11835	3.6
126.09171	15.5
127.03895	13.9
128.06204	3.7
129.05460	5.6
129.07024	4.5
130.08681	4.6
131.04930	6.8
131.08562	10.1
133.04961	9.8
133.10123	11.0
135.11678	74.3
137.06006	8.3
137.09633	4.2
137.13187	5.5
143.08542	6.7
145.04944	7.7
145.10143	14.0
147.08043	10.4
147.11688	12.8
149.05962	4.3
149.09613	4.5
151.07578	7.1
151.11127	8.2
153.12752	26.0
154.08591	9.0
157.10165	6.1
159.11696	8.7
161.05954	16.3
161.09589	4.8
161.13223	4.2
163.11230	9.1
165.12740	36.1
171.11659	5.3
171.99715	3.3
173.13269	5.0
175.07562	3.5
175.11177	4.5
177.12674	7.0
179.08708	3.4
193.12308	5.6
195.08221	3.7
201.12721	6.6
219.13644	4.5
231.13811	10.8
232.99437	6.8
239.06999	4.5
243.13800	7.5
254.05734	5.1
255.10057	7.7
261.14923	16.0
269.07288	6.9
274.74741	3.3
279.15930	20.0
282.05103	5.8
283.09683	9.5
285.06851	5.8
286.07663	7.4
297.06595	6.9
297.16818	16.0
300.06381	7.3
315.07837	100.0
315.12616	30.1
315.18097	16.5
316.04367	4.0
316.08188	8.4
316.13898	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05491	1.0
56.96554	1.7
57.03418	1.0
67.05497	0.5
69.03410	1.7
69.07049	0.8
69.56471	1.3
69.56898	2.0
70.06584	0.6
71.05004	0.6
73.02905	1.7
74.97612	0.5
81.03422	0.7
81.07044	1.7
82.06573	4.1
83.04975	0.6
84.68543	0.4
85.02903	3.0
86.09677	0.6
87.04478	0.5
95.04968	0.5
95.08614	0.5
97.02915	2.1
98.97591	1.5
107.04976	0.7
109.02869	0.5
112.08578	0.4
116.98612	1.2
119.01897	1.2
119.08569	0.7
120.08069	0.8
124.63871	0.4
125.05910	0.5
127.03880	1.0
128.98494	0.5
134.99619	1.3
135.04405	0.5
137.06021	0.6
138.09123	1.1
145.02858	0.6
146.99594	0.5
149.01108	0.4
151.03929	0.7
151.07460	0.5
152.07051	0.5
153.05292	1.4
153.06540	8.0
154.05058	0.5
154.08636	0.7
156.10220	0.7
161.03006	0.4
169.06145	0.5
177.00710	1.1
177.05513	0.8
185.04272	0.7
195.07707	1.8
223.07298	0.5
234.98897	0.5
237.02867	0.9
245.79785	0.4
292.04904	0.8
299.11008	1.0
315.10501	100.0
316.10922	3.0
317.08975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
52.27999	0.2
55.01867	0.9
55.05508	0.4
56.96555	0.5
59.99871	0.2
67.05489	0.4
68.99784	0.5
69.03415	0.8
69.07059	0.7
70.26350	0.2
70.76868	0.4
70.77240	0.5
71.04996	0.3
79.05490	0.5
80.20213	0.2
81.03403	0.5
81.07023	0.9
82.66931	0.2
83.08597	0.3
85.02863	0.8
89.03916	0.3
91.05488	2.2
91.73270	0.3
93.07028	0.5
95.04983	0.3
95.08591	0.7
97.02931	0.3
98.97590	0.6
105.03374	0.3
105.07047	0.3
107.04967	0.5
107.08588	0.4
109.02847	0.6
109.10109	0.4
115.05460	0.2
116.98598	0.5
118.04134	1.0
119.04948	2.0
119.08566	0.5
121.02831	0.3
121.06499	0.3
121.10119	0.4
123.04420	0.4
127.03885	0.3
128.06223	0.4
129.06989	0.7
131.04939	0.5
133.78934	0.2
134.03647	0.4
134.99593	0.4
135.08069	0.4
137.02330	4.7
137.05968	1.6
140.07027	0.4
141.06995	0.4
142.68375	0.3
145.02817	0.3
146.03644	0.4
146.99658	0.3
147.04405	0.8
148.07530	0.3
148.79573	0.2
149.02304	1.3
149.09676	0.3
152.06177	0.7
153.05446	0.5
153.06960	0.7
154.02528	0.4
156.05672	0.5
157.06471	0.7
158.99458	0.3
161.05962	1.0
162.03078	0.4
163.03928	1.1
164.04671	1.0
165.07059	0.3
167.03426	0.4
169.06458	0.7
170.07274	0.4
171.08006	0.9
175.07506	0.3
180.05646	0.3
181.06456	3.3
184.05183	2.9
185.05902	0.5
187.03937	0.8
188.04683	0.2
191.07187	0.3
193.04993	0.3
195.08022	0.7
197.05971	7.9
198.06702	1.9
199.07365	2.3
200.04666	0.8
201.05453	1.2
208.05263	0.3
209.05865	1.5
210.06668	0.3
211.03896	1.1
211.07487	0.4
212.04683	7.5
213.05350	1.6
215.03381	0.8
215.06966	0.3
219.01741	0.3
223.03894	0.3
223.07573	0.7
224.04709	2.0
225.05475	6.2
225.10255	0.4
226.06229	11.0
227.06883	3.9
227.08633	0.2
227.11699	0.3
229.04939	0.8
236.04747	0.4
237.05446	4.2
238.05769	0.3
239.03424	2.4
239.07059	0.5
240.04153	4.4
240.07767	0.4
241.04822	0.9
251.08020	0.3
252.04161	1.7
253.04948	4.7
254.05734	9.0
255.06497	14.9
255.10735	1.6
256.06955	0.7
257.04376	1.2
258.04980	0.5
259.09567	0.4
265.04999	1.6
265.08527	0.3
267.02774	0.3
268.03683	0.9
268.07413	0.3
269.04471	0.6
269.08301	0.3
270.05292	0.3
271.06055	2.3
279.07779	0.4
281.04434	0.7
282.05228	9.7
283.05981	9.4
283.09570	2.2
284.06497	0.6
285.03937	4.2
286.04562	0.4
287.09222	0.5
297.08591	0.7
297.11661	0.4
297.18536	0.4
299.05527	2.9
299.11047	0.5
300.06277	9.7
301.06638	0.7
315.08603	100.0
315.13028	6.9
316.08936	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	315.0861
Annotation	Melannein
Peak:m/z	Relative Intensity
52.56644	0.2
57.92886	0.2
63.92054	0.2
67.18992	0.2
68.99783	0.4
70.69637	0.6
75.04471	0.2
76.92612	0.2
79.05501	0.2
95.04985	0.4
99.93966	0.2
107.04951	9.7
108.05288	0.3
115.05427	0.3
121.02872	0.2
123.04430	2.1
125.05978	0.4
128.06204	0.6
128.98573	0.2
129.07036	0.3
131.04871	0.3
133.02815	0.4
134.03636	0.5
138.03117	0.8
139.05370	0.3
141.06955	0.4
143.08559	0.3
145.06499	0.3
145.15399	0.2
147.04378	0.6
148.05124	0.2
149.02321	0.6
152.06206	0.5
153.05452	6.0
153.06935	1.6
156.05620	0.5
157.06454	0.8
160.05161	0.3
161.06123	0.2
165.06981	0.8
168.05746	1.7
169.06439	0.8
170.03557	0.3
171.08046	1.3
173.05974	0.7
175.03922	2.2
181.06503	2.5
182.07182	0.3
183.08055	0.4
184.05186	7.5
185.05835	0.5
187.03871	0.4
195.04396	0.5
196.05203	2.6
197.05974	2.8
198.06747	1.2
199.03883	0.6
199.07524	6.8
200.04692	1.5
201.05438	2.2
207.02866	0.5
209.05989	0.7
210.06784	0.4
211.03918	0.7
211.07544	4.6
212.04677	16.4
213.05392	2.5
215.03403	0.7
215.06915	0.3
223.03920	1.0
224.04720	1.9
225.05507	1.5
226.06226	2.3
227.07014	10.8
228.04169	1.1
228.07330	0.5
229.04939	1.6
237.05441	0.9
239.03520	1.0
239.07021	2.2
240.04178	5.2
241.04916	2.1
242.05629	0.2
243.06506	0.9
244.07277	0.5
253.04974	0.6
254.05737	5.7
255.06511	46.8
256.06961	3.3
257.04437	5.4
259.09659	7.4
259.12305	0.4
260.09915	0.2
265.04910	0.2
267.02905	0.7
268.03741	1.3
269.04309	0.3
271.06116	0.3
272.06778	3.4
281.04553	0.3
282.05228	3.2
283.06006	13.3
284.06561	1.3
285.03983	3.2
287.09125	4.3
300.06296	9.2
301.06458	0.3
315.08606	100.0
316.08975	5.8
316.11801	0.1
332.59314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95681	1.2
51.20053	1.2
53.03928	1.7
55.01857	2.1
55.05503	7.0
55.78247	1.3
56.05024	1.5
56.96552	4.4
57.03440	10.0
57.07076	2.0
57.70752	1.2
58.02957	6.0
58.06588	4.8
59.04990	5.4
60.04525	2.8
61.02921	10.7
65.76202	1.1
67.05492	2.4
69.03420	18.2
69.07047	1.2
70.06580	4.7
70.64226	4.0
71.01323	1.6
71.04985	17.5
73.02914	8.8
73.06527	1.5
74.06076	4.5
75.04464	1.9
76.03992	9.8
81.03406	7.0
81.07046	1.5
82.06582	4.5
83.04976	12.3
84.08138	6.1
84.76826	1.1
85.02901	48.0
86.03277	1.5
86.06059	8.1
87.04458	2.7
88.03951	2.1
89.05469	2.7
89.06026	51.5
91.03938	3.2
93.55064	1.2
97.02888	25.7
98.97577	11.3
99.04485	6.1
101.02341	1.9
101.06003	11.7
104.07110	1.8
108.08087	1.6
109.02866	5.3
112.07608	3.0
114.05474	1.4
115.03925	4.9
116.07069	8.8
116.98573	8.1
117.05491	5.2
119.01881	1.4
119.07085	1.5
127.03913	10.0
128.07082	10.4
128.98509	1.3
130.08554	1.8
134.08124	4.3
134.09674	1.9
134.99644	5.4
135.06522	21.5
136.06165	10.3
136.07623	1.8
137.05975	1.6
143.01944	2.7
143.03345	2.3
145.04935	9.5
146.99660	2.4
152.07089	6.9
152.09160	100.0
153.04085	1.2
153.05377	1.4
157.03484	1.8
158.99593	2.6
161.01140	1.9
161.02888	2.1
168.06619	2.1
171.04916	1.7
173.02928	2.5
173.09178	2.5
173.54410	1.9
177.00771	5.9
178.07030	1.5
181.55455	1.7
190.55925	2.2
191.05743	2.3
198.04637	9.3
201.00749	1.3
216.05464	1.4
219.01732	4.1
233.06738	1.5
233.56732	1.2
234.07593	3.3
237.02878	5.0
245.05013	4.2
246.05209	2.9
247.04774	1.7
262.57513	6.6
285.08737	2.0
291.08841	1.3
291.57761	1.4
296.13556	3.3
298.10666	5.0
299.11551	1.7
314.08981	14.8
314.14392	30.7
314.59283	1.5
315.10480	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.1
55.98612	0.7
57.03189	1.1
57.03437	15.3
57.07071	49.4
58.06594	16.9
64.86563	0.6
67.05499	9.7
68.31974	0.7
69.06760	0.8
69.07069	8.0
69.95319	2.4
69.95728	1.5
71.08628	32.5
73.05614	0.6
77.30428	0.7
79.05502	1.0
81.07055	13.8
83.05013	0.7
83.08610	9.2
85.10175	17.5
86.80082	0.7
89.05994	1.4
91.05487	1.3
93.07020	1.0
95.08599	18.0
97.10177	5.7
103.07561	1.9
105.07059	0.7
107.04967	5.9
109.10146	8.6
111.11706	1.7
123.11682	4.1
135.11613	0.9
137.05991	1.3
137.13243	1.3
143.04892	1.0
149.05995	0.8
151.07510	5.3
152.07089	1.4
162.90459	0.7
175.07501	1.3
209.09691	0.8
221.22705	1.2
239.23695	4.1
257.24750	3.9
269.11688	1.8
298.10712	28.1
298.27213	1.1
299.11484	15.7
313.07181	1.8
313.27350	100.0
314.13840	37.7
314.17499	12.5
314.27570	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	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01855	0.5
55.05499	0.4
56.96557	3.7
57.03416	1.4
58.06595	0.5
59.04981	0.4
61.01146	1.0
61.02921	0.8
62.06072	0.8
69.03423	4.1
71.04980	1.1
71.58701	0.3
71.59117	0.6
72.08149	0.4
73.02925	1.7
73.06526	0.6
74.06062	0.4
79.05503	0.5
81.03404	1.6
81.07026	0.8
82.06596	0.5
84.08136	0.9
84.96038	0.6
85.02899	6.0
85.06508	0.5
87.02676	0.4
87.04475	0.8
89.06023	1.6
91.03906	0.4
95.04910	0.4
96.04471	0.5
97.02886	43.8
98.03226	0.4
98.97576	3.9
99.04443	0.8
99.08072	0.9
108.08142	2.4
109.02915	0.7
109.69242	0.4
111.04459	0.4
113.02375	0.5
115.03903	0.4
116.98618	4.9
117.05460	1.0
117.09138	0.7
119.01747	0.4
127.03960	1.8
128.07063	0.6
128.98579	0.8
134.09689	0.6
134.99658	3.2
135.05551	0.5
135.06549	1.2
136.06177	100.0
137.04599	1.1
137.05812	0.5
142.08652	0.5
143.01598	2.5
145.04939	1.1
146.99644	0.8
148.06165	0.6
150.05475	0.4
152.05818	0.7
152.07043	3.8
152.09137	0.7
152.10699	1.2
153.00632	0.6
154.08556	0.4
158.99667	1.3
161.01256	0.6
161.02704	1.4
164.05681	4.5
164.91609	0.4
176.05438	0.4
177.00719	2.2
177.04132	0.7
177.05957	0.4
178.07211	2.7
179.03680	2.8
184.04875	1.1
191.03946	0.5
196.54738	0.7
198.04616	1.0
201.00652	0.5
204.24220	0.4
205.03700	0.5
219.01794	1.3
226.05956	0.7
233.06682	0.8
233.08702	0.5
237.02805	1.7
248.07788	1.1
248.99184	1.6
260.04361	0.4
267.00351	1.4
268.56699	0.4
278.07062	0.8
290.07367	0.9
295.92325	0.4
296.08075	4.2
298.10812	1.7
299.11514	1.0
302.06259	0.6
309.08652	0.9
313.60367	1.0
314.09125	10.0
314.12439	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	313.1065
Annotation	5,7,4'-Trimethoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
54.07406	0.5
55.01868	0.7
55.05510	1.2
56.96568	1.0
58.06597	0.7
67.05489	1.7
67.18450	0.5
69.03417	1.5
69.07073	1.2
71.08643	0.7
71.59818	0.5
71.60210	0.7
79.05496	1.3
81.07036	1.8
83.08543	0.5
84.83334	0.5
85.02912	0.9
91.05463	2.2
93.07026	1.4
95.04974	1.2
95.08581	2.0
95.64463	0.6
97.06457	0.6
98.97559	0.7
105.07004	1.5
107.04951	1.6
107.08554	1.2
109.06471	0.7
109.10141	1.1
115.05489	0.7
116.98584	0.6
118.68301	0.5
119.08540	1.3
121.10098	1.1
123.04433	0.6
123.08060	0.5
123.11670	0.6
125.09647	0.5
128.06184	0.7
129.06929	1.0
130.74864	0.5
131.04895	0.7
131.08534	0.5
133.10089	0.6
134.99687	0.7
135.04353	0.7
137.05991	1.1
141.06982	1.5
145.06540	0.8
145.10075	1.1
147.04443	0.7
151.03842	1.3
152.06201	1.1
153.06993	2.4
154.07687	0.7
155.08572	2.8
157.06435	0.8
157.10059	0.7
159.08127	0.7
161.06000	1.3
165.06993	3.4
167.08640	0.6
168.09328	1.0
169.06474	1.9
169.10046	0.7
170.07259	1.9
173.05994	0.7
175.03873	1.0
178.07768	7.2
179.08519	0.8
180.05801	0.7
181.06535	2.7
182.07271	2.3
183.08083	2.7
187.07492	1.1
189.05350	0.5
191.08597	0.6
193.06517	0.8
193.10083	3.5
195.08047	1.5
196.08781	1.1
197.05991	1.7
197.09616	0.9
197.67447	0.5
198.06718	4.7
199.07530	1.0
201.09059	2.3
202.07739	1.4
203.06969	1.5
203.08536	1.7
205.06390	0.8
206.07243	2.2
207.07985	1.1
209.06010	1.1
210.06798	0.8
211.07550	2.5
211.11124	2.5
215.06990	0.7
216.07777	1.8
219.08046	0.7
221.05940	0.8
221.09615	4.0
224.08281	2.2
225.05452	0.9
226.06172	2.2
227.06831	1.3
229.04938	1.1
229.08565	3.5
234.06700	1.0
237.05380	0.9
239.07094	0.9
239.10599	2.8
242.09441	0.8
243.06410	0.7
244.07355	0.9
249.09209	1.1
252.07782	1.9
253.08565	0.7
255.06427	0.9
267.10138	2.7
269.04669	0.6
269.08008	0.6
270.08942	0.7
272.06702	0.7
281.08194	0.6
284.06586	0.6
285.11185	100.0
286.11505	4.7
295.09665	1.4
295.22919	0.7
298.10654	2.3
299.11545	1.1
313.07025	5.2
313.10696	6.1
313.13852	0.7
314.07724	0.9
314.13892	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	5,6,3'-Trimethoxyflavone
Peak:m/z	Relative Intensity
51.77645	0.4
53.53086	0.4
53.83964	0.5
55.01841	0.5
55.05497	1.1
56.96551	1.2
57.65585	0.6
67.05487	0.8
69.07054	1.6
71.04969	0.5
72.08125	0.6
73.02877	0.5
79.05489	0.9
81.07049	1.9
83.08596	0.7
91.05460	1.6
93.07046	1.6
95.08583	1.9
98.97565	0.5
101.05993	0.5
105.07012	1.2
107.04963	0.7
107.08588	1.5
109.10155	1.2
116.98618	0.6
119.08592	0.6
121.06477	0.8
121.10123	0.9
121.69184	0.5
123.04449	0.7
123.11635	0.6
124.05212	0.6
129.06921	0.5
133.02834	1.8
133.10086	0.6
134.99649	0.7
137.05959	1.2
139.11057	0.6
145.10136	0.6
146.03560	0.5
147.04387	0.6
147.11726	0.8
148.05176	1.1
151.07487	0.8
153.06949	1.1
157.10085	0.6
161.05968	3.8
165.07008	0.6
174.06790	0.8
181.06482	1.5
193.06480	0.9
198.06741	1.1
199.07549	3.1
209.06032	3.9
211.07498	0.9
215.07082	1.0
221.05917	0.8
221.40114	0.6
223.07523	0.9
224.08328	4.5
227.07050	3.2
235.07463	1.9
237.05452	4.1
241.08542	1.1
249.05368	1.5
251.07062	3.7
252.07790	12.6
253.08438	2.3
255.06487	10.9
263.06964	2.6
265.04926	3.5
266.05771	1.1
267.06519	1.4
268.07227	0.7
269.08032	4.6
270.08853	0.7
279.06476	3.6
280.07291	16.7
281.07971	4.7
282.05185	0.8
283.06006	13.6
285.07608	1.3
297.07562	14.9
297.10870	1.0
298.08200	19.7
299.08578	1.3
299.11536	1.7
313.07480	4.3
313.10648	100.0
314.10773	4.8
314.14172	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	67858-30-4
Peak:m/z	Relative Intensity
55.05486	1.2
56.96561	1.0
57.03421	0.4
57.07081	0.5
58.06581	1.2
62.11748	0.5
67.05483	1.7
69.03398	0.6
69.07051	1.9
69.45943	2.5
69.46365	2.3
71.04964	0.6
71.08616	0.6
72.44957	0.4
79.05472	1.4
81.07035	2.4
82.81702	0.5
83.04979	0.5
83.08605	1.1
85.02894	0.8
85.06549	0.5
90.89130	0.5
91.05463	2.0
91.39112	0.6
93.07014	1.5
95.04939	0.8
95.06789	0.5
95.08610	2.2
97.10152	0.5
98.20701	0.9
98.97552	0.8
103.05412	0.6
105.07031	1.4
107.04953	4.6
107.08578	1.6
109.06492	0.8
109.10149	1.1
119.08569	1.1
121.06496	0.6
121.10110	0.9
123.04408	1.8
123.11533	0.5
131.04921	2.3
131.08640	0.5
133.10049	0.7
134.99635	0.7
135.04379	2.3
135.11681	1.1
136.05179	0.7
145.10167	0.8
147.03233	0.6
147.04405	9.9
147.11647	0.7
149.02335	0.8
149.05957	0.7
151.03885	0.7
151.07503	2.2
153.06973	0.7
157.06488	0.6
161.09401	0.5
161.13210	0.6
165.06966	0.5
167.07045	0.7
169.06468	0.7
173.13223	0.5
175.03806	1.0
179.07042	1.2
181.06448	1.3
185.05945	0.8
191.07025	3.3
195.08002	0.9
197.06006	1.3
199.07539	1.6
207.08049	0.7
209.05861	1.1
212.04555	0.8
213.05478	1.4
213.09117	1.1
221.05966	1.7
223.07501	2.3
224.08311	0.7
225.09094	0.6
226.06194	0.9
227.07002	1.5
234.06671	0.7
235.07597	0.7
237.05428	4.7
238.06082	1.0
239.06816	1.0
241.08604	2.3
249.05594	0.6
251.06992	6.8
252.07791	2.9
253.04823	1.1
253.08513	1.7
254.05751	1.1
255.06494	6.3
257.18271	0.9
263.06876	0.7
265.04883	2.4
266.05643	0.9
267.06534	3.8
268.24466	0.6
269.04376	0.5
269.05392	0.6
269.08139	5.4
270.08691	0.8
277.21555	1.4
279.06540	2.2
280.07327	2.7
281.04413	3.1
281.08087	1.8
283.05978	25.4
284.06552	1.9
285.11053	1.7
295.06064	1.0
295.16782	0.7
295.22635	0.6
297.07571	10.9
298.08038	5.3
298.10849	1.2
299.11588	0.6
313.07391	4.7
313.10648	100.0
314.10904	3.7
314.14099	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93415	0.6
53.03936	1.4
55.01865	2.9
55.05513	1.0
56.96556	0.7
57.03439	5.1
61.02923	10.3
69.03426	15.4
69.07069	10.6
69.45513	3.0
69.45943	3.4
71.04981	1.7
73.02924	4.7
73.06554	0.9
75.39240	0.8
81.03404	5.3
81.07039	0.9
83.01353	0.8
84.08138	1.5
85.02901	100.0
85.11242	0.7
86.03223	1.0
87.04452	3.6
87.08103	18.8
88.54611	0.8
91.03960	5.6
96.05899	0.7
97.02889	23.5
99.04433	3.7
103.03961	0.8
105.09130	2.3
109.02866	8.4
115.03982	0.9
117.06609	0.9
122.06030	0.9
127.03909	30.7
133.08607	8.1
140.07065	2.0
145.04953	55.0
149.05966	0.7
150.05510	12.6
152.60353	0.7
161.13260	1.8
163.06004	15.5
177.05243	0.8
180.06660	0.8
180.08597	0.8
303.57938	0.7
312.11096	1.1
313.12454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0695
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.03937	0.2
53.92031	0.0
55.01863	0.2
57.03420	0.2
63.02332	0.0
65.03925	0.5
67.01866	0.3
67.05484	0.1
68.99421	0.1
68.99761	0.5
69.00095	0.1
69.03423	0.1
70.85422	0.1
79.01830	0.1
81.03406	1.3
83.01331	0.1
83.04966	0.1
85.02892	0.9
86.87273	0.0
91.05496	0.3
93.03377	0.6
95.04972	0.3
97.02883	0.1
99.04395	0.1
105.03365	0.3
107.01293	0.1
107.04937	0.1
108.15123	0.0
109.02866	0.9
110.03664	0.1
111.00825	0.1
111.04423	0.2
116.33940	0.0
118.04150	0.2
119.04922	1.6
119.05759	0.1
120.05688	0.1
120.08091	0.3
121.02847	6.1
123.04415	0.2
124.01585	0.1
125.02331	0.3
127.03883	0.2
129.01904	0.0
131.04922	0.1
133.02798	0.3
133.06516	0.1
135.00737	0.1
135.04399	0.1
137.02386	0.1
138.03069	0.5
138.04037	0.1
139.03859	0.1
141.01776	0.1
143.03374	0.0
145.02817	1.9
145.06491	0.1
147.04391	0.2
149.02312	2.5
149.05864	0.1
151.03903	0.2
151.07475	0.0
152.01115	0.1
153.01807	0.7
153.06964	0.1
155.08672	0.0
157.06544	0.0
163.03885	0.6
165.01811	0.7
165.06944	0.2
166.02576	0.4
167.03375	6.1
168.03709	0.1
169.06465	0.1
170.02109	0.1
171.02863	0.2
173.05922	0.1
175.03902	0.1
177.01804	1.7
181.06430	0.1
182.07251	0.1
183.02837	0.4
183.07986	0.2
184.03662	0.5
186.06673	0.1
187.03903	0.2
195.02859	3.5
196.03276	0.1
197.05971	0.3
199.07561	0.1
200.08379	0.1
201.05534	0.1
202.06274	0.2
203.07130	0.1
210.06726	0.2
211.03738	0.1
211.07478	0.5
213.03865	0.1
213.05539	0.3
215.07051	0.3
221.05803	0.1
225.05402	0.1
227.07013	0.6
228.07663	0.3
229.04910	1.6
237.05318	0.1
238.06219	0.2
239.06998	1.9
240.07585	0.1
241.04811	0.1
241.08600	0.1
242.05699	0.8
243.06409	0.3
247.06012	0.2
249.05658	0.1
251.07144	0.1
253.04890	0.1
255.04468	0.0
255.06480	1.8
256.07251	2.5
257.07855	0.1
266.05661	0.1
267.06476	11.0
268.06888	0.3
269.04404	0.6
269.07950	0.1
270.05179	3.8
271.05682	0.2
283.05969	8.9
284.06735	16.1
285.07394	1.5
286.07782	0.1
294.05331	0.0
295.05960	7.4
296.06271	0.1
298.04575	0.1
312.05887	0.0
313.06992	100.0
314.07346	3.7
316.05588	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01859	3.4
55.05498	2.5
56.96545	1.3
57.03433	4.4
61.02924	8.8
67.05486	1.5
69.03074	1.4
69.03424	18.9
69.07062	9.9
70.06577	1.0
70.95515	2.2
71.04984	2.7
71.27917	0.9
72.08140	1.4
73.02919	5.3
73.06549	1.0
79.05460	1.2
81.03400	8.1
81.07044	1.2
84.04482	1.6
84.08121	2.5
85.02897	100.0
85.07656	2.2
86.03219	0.9
87.04446	4.3
87.07600	1.6
87.08099	19.1
88.03997	0.9
91.03935	6.6
91.05466	1.5
94.06536	2.5
95.04955	1.3
95.08593	1.2
97.02267	1.6
97.02882	24.8
98.97494	1.4
99.04443	4.6
103.03929	1.8
105.07014	1.8
105.09108	2.6
107.05003	1.1
107.08586	1.7
109.02856	7.4
115.03913	1.1
115.07557	4.3
121.06512	1.2
122.05981	3.7
123.04446	1.0
124.07575	1.1
127.02944	1.5
127.03896	30.6
131.04947	1.1
131.08516	1.7
132.08107	1.6
133.08592	7.3
133.14880	0.9
134.99678	1.3
137.05948	3.3
139.05711	1.0
140.07037	7.7
141.07246	1.0
145.04950	50.1
147.11505	1.1
150.05467	10.5
150.06595	2.2
150.09160	1.0
151.03889	2.5
161.05855	1.0
161.13120	1.0
162.05437	2.3
163.05978	13.2
164.07063	1.7
168.06560	1.0
169.04341	1.8
173.13249	2.5
174.05437	1.9
175.17497	1.0
177.05478	1.0
180.08678	1.8
181.07059	1.0
191.14282	1.1
244.65732	0.9
280.09827	1.5
282.07385	1.5
285.12064	0.9
294.09671	2.0
312.12274	4.8
312.16238	6.2
313.11526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.59656	2.4
55.01854	6.4
55.05495	2.0
56.96555	13.5
57.03433	49.4
60.04502	3.9
60.95851	2.0
61.02922	35.8
68.05023	2.4
69.03072	4.6
69.03425	59.5
69.07058	3.8
70.03767	4.2
70.06586	4.9
71.01337	4.5
71.04989	13.2
71.15658	2.0
71.58791	2.6
73.02496	5.2
73.02912	91.1
74.03236	2.6
75.04478	8.6
76.07634	4.6
79.74118	2.1
81.03417	18.7
83.04969	6.3
84.04536	2.5
84.08147	3.1
84.96019	2.4
85.02900	100.0
86.03226	3.6
86.06043	3.2
86.09727	2.2
87.00839	3.0
87.04462	18.4
91.03927	2.4
95.04967	3.3
96.04507	3.8
97.02275	5.1
97.02885	84.9
98.03215	3.4
98.06068	3.1
98.97575	10.4
99.04446	28.1
103.03937	3.9
104.07101	6.8
105.01874	3.3
107.08591	2.1
109.02859	17.2
110.01274	2.9
113.01744	2.6
113.06013	2.2
115.03934	42.7
115.07599	3.9
116.98599	13.8
117.05491	44.6
119.01863	7.5
123.04466	2.4
127.03920	51.0
128.02295	3.5
128.98584	4.3
131.00171	3.5
132.06557	9.9
133.03377	2.2
133.04979	27.6
134.99654	7.8
135.04375	2.7
137.02859	3.4
137.06020	3.6
140.06987	2.6
143.00133	2.3
143.02829	3.2
144.06548	8.7
145.04950	53.7
146.99669	6.6
149.01190	6.2
150.07668	44.1
150.65286	2.6
158.99638	4.1
161.01196	4.8
161.02866	3.0
162.07611	11.8
163.06009	46.1
171.04274	2.6
173.01170	4.0
175.00679	2.2
175.02693	3.3
177.00638	6.5
178.04875	8.2
179.02159	3.1
180.08673	10.4
189.00748	4.2
191.03821	2.8
193.00293	2.8
193.03735	2.3
200.04428	5.7
206.04366	4.1
207.05312	3.6
209.04854	3.4
212.33693	2.5
213.03439	5.0
215.05064	7.5
215.10294	3.8
222.03937	4.2
223.06374	2.3
223.56676	3.2
225.06406	2.7
228.04031	4.2
229.79362	2.6
230.07295	3.1
230.57474	5.4
231.05074	3.0
233.07082	2.7
235.02907	4.1
237.02814	2.7
241.07074	7.6
259.08093	8.2
262.63300	2.7
269.05563	2.8
273.04648	2.3
291.03867	4.8
294.11765	4.0
311.60052	13.2
312.09924	4.8
312.13416	14.0
312.19263	4.5
324.10498	3.3
324.46667	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62417	0.1
53.03938	0.5
53.70315	0.1
54.44318	0.2
54.69362	0.2
55.01860	0.4
56.96555	0.6
57.03426	0.5
59.04989	0.2
61.02921	1.5
69.03423	3.3
69.64754	1.2
71.04993	0.5
73.02914	1.3
73.73161	0.2
81.03429	1.1
84.08125	0.2
85.02900	5.0
86.03222	0.1
86.41734	0.2
87.04479	0.5
88.94846	0.2
91.03943	0.5
94.40337	0.2
94.67452	0.2
97.02884	2.2
98.97599	1.1
99.04448	0.5
108.05589	0.3
109.02871	0.8
109.05106	0.5
110.97559	0.2
112.00985	0.2
112.99176	0.2
115.03957	0.2
116.98606	0.6
119.01862	0.2
127.03915	1.3
128.98572	0.2
131.00101	0.4
132.08086	0.3
133.05083	7.5
134.99644	0.3
136.07555	0.2
139.09781	0.2
145.04948	0.7
146.99605	0.2
147.03159	0.2
150.07742	100.0
151.08220	1.3
161.01181	0.3
168.98131	0.2
177.00748	0.3
178.04814	0.2
180.04497	0.2
186.99150	0.6
219.01729	0.2
219.07158	0.2
223.04633	0.2
237.02728	0.6
291.81567	0.2
294.05731	0.2
297.12314	0.2
312.13016	27.7
313.13361	1.0
321.10257	0.3
322.10675	0.3
323.10229	0.4
324.10535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
55.05261	2.1
55.05509	25.3
56.35220	1.5
56.35850	1.5
57.07075	15.5
57.66137	1.4
58.92027	1.5
67.05500	28.0
69.07066	55.6
71.08617	6.5
71.19582	1.6
71.19930	3.7
71.95911	1.5
79.05497	10.2
81.07054	81.4
83.08618	32.8
85.06542	14.1
85.10180	3.5
91.05476	1.9
93.07044	13.5
95.08602	100.0
96.08957	2.0
97.10168	24.1
98.97532	1.7
99.08084	8.4
107.08581	11.4
109.10149	57.9
110.10478	2.4
111.08037	2.3
111.11001	2.2
111.11713	17.0
115.77784	1.4
119.89497	1.7
120.10185	1.5
121.10155	8.7
123.11706	29.2
125.13264	7.2
127.11156	2.8
131.25887	1.6
135.11699	11.2
137.13275	15.4
139.14815	1.9
149.13260	19.1
151.14822	21.5
163.14828	10.8
165.16367	7.0
169.15829	2.4
177.16406	3.7
179.18031	4.4
183.17554	1.9
187.07478	1.6
205.19516	2.0
219.21051	3.8
249.25720	4.5
267.26956	3.1
275.27295	10.3
293.28357	13.9
311.05447	1.8
311.29462	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	311.2942
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
55.05507	20.9
56.14537	1.2
57.07073	15.9
65.52097	1.2
67.05501	30.4
69.07063	59.6
69.39674	11.5
69.40089	2.1
70.07389	1.4
71.08627	6.1
79.05473	8.9
81.07052	83.2
83.08617	31.1
85.06540	11.1
85.10157	3.1
91.05472	1.7
92.43668	1.3
93.07032	13.5
95.08603	100.0
96.08920	1.7
97.10172	21.8
99.08079	7.8
105.06950	1.4
107.08594	14.2
109.10149	57.6
110.10454	1.6
111.08060	3.0
111.11714	17.6
113.10799	1.3
121.10123	9.7
123.11698	31.9
125.13274	6.2
126.25876	1.2
130.56767	1.2
135.11696	9.5
137.13234	16.0
139.14795	1.8
143.14333	2.9
149.13251	22.0
151.14804	19.9
163.14835	9.3
165.16345	8.5
177.16418	3.4
179.17969	5.7
183.02470	1.5
191.17921	2.4
193.19582	3.0
199.20575	1.5
219.21042	2.5
249.25803	7.0
267.26794	3.2
275.27325	10.2
293.28311	12.9
311.23636	2.1
311.29468	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03930	1.6
55.05505	55.8
57.03431	21.9
57.07070	24.9
67.05485	7.7
68.99780	1.9
69.07062	62.7
70.04128	4.5
70.07394	1.8
71.08623	17.0
72.14822	0.7
79.05475	6.1
79.44323	0.8
80.86247	0.8
81.07040	11.0
83.04967	2.4
83.08609	53.6
84.08948	1.4
85.10178	4.6
91.05454	2.5
93.07027	8.1
94.01601	0.8
95.08024	0.8
95.08588	5.9
97.06527	5.9
97.10162	36.0
98.21396	1.0
105.03381	1.5
105.07045	2.0
107.08591	5.4
109.06463	1.3
109.10136	2.8
111.04431	0.9
111.08082	2.7
111.11694	8.5
121.10134	7.3
123.11672	1.8
125.05993	1.8
125.09614	1.5
125.13259	2.7
125.21830	0.9
135.04405	37.2
135.11668	4.8
136.04718	1.3
139.11148	1.6
146.07294	2.9
149.13234	2.3
153.05411	1.0
161.09602	49.7
162.09943	3.6
163.14763	1.3
177.05473	3.8
203.10585	1.1
209.11685	3.1
219.20966	1.9
237.11160	2.7
237.22145	0.8
255.10001	1.2
255.12379	1.1
296.09036	1.2
311.12747	1.6
311.16370	34.0
311.25769	100.0
312.12949	0.8
312.16605	3.9
312.26068	6.8
326.48181	0.9
330.74777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
51.64251	1.4
52.68518	1.5
53.03949	2.2
54.67424	1.7
55.05257	2.2
55.05505	26.9
56.96559	3.5
57.03423	1.5
57.07065	17.5
59.04980	4.0
67.05498	41.3
69.03446	2.1
69.07065	56.9
69.33723	1.5
71.05010	3.3
71.08633	9.6
71.63023	1.7
71.63435	2.3
73.02915	1.9
79.05496	15.8
81.03433	2.2
81.07050	100.0
82.07346	2.4
83.04967	3.4
83.08613	35.8
85.06551	8.3
85.10180	3.7
91.05472	4.5
93.07042	20.2
95.04971	3.5
95.08600	95.7
95.79064	1.7
96.08944	2.0
97.06522	6.2
97.10162	24.8
99.08089	13.1
101.21394	1.8
105.07027	4.8
107.08590	16.2
109.06483	2.1
109.10147	70.2
111.04401	2.7
111.08078	5.2
111.11713	17.5
113.09631	2.6
113.39578	1.6
115.02531	1.6
116.98631	2.4
117.07005	2.1
119.08583	2.3
121.10137	15.1
123.11695	30.0
125.09626	2.7
125.13280	7.9
131.08589	2.8
134.10257	1.8
135.11700	13.0
137.05965	13.2
137.13239	19.4
139.11186	4.8
149.09557	2.9
149.13261	22.9
151.14854	8.8
160.57771	1.7
163.14818	5.6
165.16411	5.6
167.14288	4.1
177.16362	2.9
179.18018	3.0
184.17017	7.9
191.14069	1.7
191.17940	2.4
193.19466	2.3
206.27327	1.5
207.21046	2.6
219.08061	2.9
251.10876	2.7
263.27377	7.9
266.21088	11.8
275.19952	2.3
275.27310	8.2
279.10059	2.1
281.28406	4.0
283.05997	2.8
293.21387	2.0
293.24896	3.0
293.28281	21.3
294.20651	17.2
311.05588	2.6
311.09009	4.2
311.12723	8.0
311.23700	1.9
311.29468	5.3
312.12384	3.8
312.21573	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00286	0.4
53.03932	1.2
55.01868	1.4
55.05508	39.1
56.05829	0.9
56.71330	0.4
57.03436	16.9
57.07072	20.1
58.78025	0.4
61.71944	0.4
63.43698	0.4
67.05495	6.0
69.07063	42.7
71.08627	11.1
71.36572	1.0
73.02885	0.8
74.65821	0.5
79.05473	3.1
81.07048	7.6
83.04976	1.0
83.08614	36.8
85.06551	0.5
85.10174	4.6
88.28323	0.4
91.05459	0.7
93.07033	5.2
94.47592	0.5
95.08595	4.9
97.06522	3.9
97.10164	26.2
98.10484	0.5
102.25335	0.5
105.25250	0.4
107.08583	3.2
109.10124	2.0
111.08056	1.8
111.11024	0.6
111.11725	8.1
119.17355	0.4
121.10149	5.4
123.11691	1.1
125.09647	1.4
125.13273	1.2
135.11693	3.7
136.92238	0.5
137.13313	1.1
139.11165	1.3
139.14751	0.5
149.13219	1.9
153.12718	0.8
163.14784	1.2
181.16037	0.5
209.11790	0.5
210.68294	0.4
213.13640	0.4
219.21066	1.7
221.88763	0.5
232.64030	0.5
232.68657	0.5
237.22108	1.1
289.66727	0.5
311.25781	100.0
312.26129	5.6
325.89673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01858	1.8
55.05508	41.4
56.05835	0.5
57.03434	17.4
57.07072	21.9
59.05017	0.6
66.47532	0.4
67.05501	6.6
69.07064	46.9
70.88609	1.5
70.88986	0.5
71.04981	1.0
71.08627	12.9
71.57458	0.5
73.02921	0.9
79.05496	4.2
80.38342	0.6
81.07052	9.6
83.04956	1.8
83.08614	39.4
85.10180	5.5
87.67258	0.6
91.05472	1.1
93.07046	5.1
95.08607	6.4
97.06542	4.8
97.10164	27.6
98.20678	0.5
107.08600	3.6
109.10171	2.9
109.32711	0.5
111.08025	2.6
111.11714	7.5
121.10152	5.5
123.11711	1.1
125.09638	1.7
125.13242	1.2
127.59872	0.5
135.11696	3.7
137.13246	0.9
139.11154	0.6
149.13271	2.4
163.14812	0.8
192.30943	0.5
209.10036	0.5
209.11710	3.2
209.73734	0.5
210.75070	0.5
219.21107	1.0
229.14278	0.5
237.11137	2.5
237.22050	0.7
278.78323	0.6
311.25790	100.0
312.26163	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03928	1.0
55.05508	43.2
57.03434	17.4
57.03720	0.4
57.07071	20.2
58.90879	0.5
67.05505	7.4
69.07063	52.4
70.07370	0.7
70.20077	2.3
71.08627	13.2
73.02913	0.5
74.21810	0.4
79.05488	3.9
79.33969	0.5
81.07053	9.7
83.04955	1.3
83.08611	43.5
84.08945	0.7
85.02869	0.4
85.06561	0.5
85.10176	5.4
93.07035	6.3
95.08610	6.3
96.30722	0.5
97.06529	4.2
97.10162	28.1
98.10496	1.0
98.50949	0.5
99.11731	0.5
101.06019	0.7
107.08585	3.6
109.10141	3.5
111.04398	0.7
111.08045	1.9
111.11716	8.9
119.08596	0.5
121.10136	5.8
123.11693	1.2
125.09594	1.6
125.13251	2.0
135.11664	3.9
137.13203	0.5
139.11156	1.3
142.69098	0.5
149.13275	1.7
153.12691	1.0
161.09645	0.7
163.14812	1.3
191.10712	0.6
209.11647	2.8
219.21042	1.7
237.11220	2.1
237.22169	0.9
246.93353	0.5
255.12276	0.6
311.25784	100.0
312.26190	6.0
314.80313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84806	1.6
53.03938	6.6
55.01852	7.2
56.96560	11.4
57.03434	16.1
61.02927	9.7
65.03938	3.2
67.05491	4.1
67.19102	2.5
69.03076	4.1
69.03428	64.5
69.07061	12.5
69.66163	10.1
69.66576	5.0
71.01346	4.7
71.05003	10.0
73.02916	12.3
79.05498	9.3
81.03428	17.6
81.07047	4.3
83.04988	4.0
84.08122	2.1
85.02424	3.3
85.02905	45.5
85.06532	3.2
86.09698	3.3
86.60448	1.9
87.04467	4.4
89.03928	1.9
91.05465	12.1
95.04948	2.1
97.02891	51.0
97.10156	2.3
98.06049	2.8
98.97562	5.7
99.04438	7.8
101.02384	4.0
103.03931	12.0
103.05454	11.5
105.07050	2.6
107.04945	13.4
109.02888	6.1
109.06516	3.2
110.06039	12.4
111.04443	5.0
112.39629	1.9
113.02320	2.6
113.05993	5.0
114.06316	4.0
115.03941	11.6
115.05476	5.8
115.07571	3.1
116.98624	7.6
117.07001	3.6
117.98904	2.1
119.04933	11.8
121.06498	10.0
122.03623	6.5
122.05988	7.2
123.04449	5.1
127.03914	37.0
129.06996	2.6
131.04924	22.3
131.07013	12.5
132.07352	7.7
133.02823	4.5
133.07596	7.1
134.99663	7.7
135.04420	10.3
136.07564	3.9
137.05971	100.0
138.05447	2.9
139.03925	2.3
140.07065	17.5
141.06993	7.8
143.04866	5.0
144.05624	2.0
145.04927	8.0
145.06470	8.2
147.04391	23.0
149.02115	13.0
149.05981	33.3
149.07114	3.9
151.03848	11.5
151.07483	10.8
155.04817	2.4
157.06496	3.1
159.04425	9.7
160.05167	6.8
161.05939	5.8
161.07104	47.8
162.03053	4.2
163.06348	3.0
163.07509	15.5
164.04585	2.5
165.05457	2.3
167.07054	13.2
169.05200	2.4
169.06508	7.7
173.05969	3.9
175.07506	15.8
176.04681	6.7
177.00638	3.9
177.05464	52.1
177.08977	3.8
179.07042	16.3
185.04274	2.8
187.07536	9.7
189.05396	4.1
191.06987	42.0
191.08516	3.1
193.04367	5.3
197.05925	10.8
200.04610	3.1
201.05515	4.8
201.10423	4.9
202.04802	2.7
203.07050	14.9
205.08600	5.6
207.06560	3.2
215.07056	16.2
217.08505	2.9
219.01778	2.5
221.08057	8.3
229.08452	15.1
233.08075	8.3
237.02757	5.9
245.09360	11.7
249.06731	2.0
257.08975	13.5
269.05518	2.9
275.09738	8.6
283.05869	2.4
287.07755	2.7
293.11301	19.3
311.07281	66.6
311.11929	19.8
311.16232	5.6
321.08527	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
56.96554	1.4
57.03423	1.3
57.07064	0.6
60.05961	0.4
61.02918	1.1
67.05490	0.8
69.03427	2.9
69.07053	1.1
70.38377	0.4
70.38702	1.8
71.04983	0.6
73.02894	1.4
74.92637	0.4
76.52012	0.4
79.05518	0.5
81.03413	1.2
81.07048	0.7
83.08611	0.4
85.02894	5.4
85.06535	0.6
86.09703	0.9
87.04443	0.7
95.04930	0.6
95.08547	0.8
97.02895	2.6
98.97555	2.1
99.04427	0.8
105.07041	0.6
109.02888	0.8
110.06026	1.3
113.05989	1.1
113.09655	0.5
114.06300	0.4
116.98601	1.5
122.06013	0.8
122.53114	0.4
123.04472	0.4
127.03911	1.7
128.98605	0.5
131.07016	0.6
132.07323	0.7
134.99658	1.1
136.07613	1.4
137.05942	2.4
138.05482	0.4
140.07069	1.4
145.05002	0.5
146.99673	1.1
149.02086	23.5
149.06068	0.5
151.03944	0.4
154.08572	0.4
158.99617	0.9
161.01208	0.4
161.07108	2.7
162.05441	0.8
163.07498	0.5
166.08650	0.7
177.00708	1.4
177.05457	0.9
179.07179	0.4
180.10220	0.5
185.02861	0.5
185.04240	6.5
191.07024	0.7
195.96375	0.4
199.07825	0.4
200.09154	0.6
201.00696	0.4
201.10136	0.5
212.06131	0.6
219.01764	0.9
221.07271	0.7
237.02823	2.9
255.03981	0.4
283.06088	0.5
293.11450	2.2
293.14365	0.4
305.09033	2.3
311.07339	100.0
312.07806	2.7
323.10062	2.2
324.10413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05493	2.2
56.68209	0.8
56.96569	2.4
57.03425	2.8
57.07078	4.6
59.04984	0.9
61.02914	4.0
65.03934	0.9
67.05501	16.6
69.03431	7.1
69.07044	1.3
70.04074	0.9
70.87496	1.3
70.87832	1.9
71.04989	26.5
72.93774	1.0
73.02899	3.4
75.87891	1.0
81.03407	3.7
81.07047	2.3
85.02903	36.9
85.06545	8.9
87.04476	1.8
88.46413	1.0
91.03952	2.9
91.05453	1.8
93.07014	1.1
95.04961	13.8
97.02897	10.4
98.97566	2.8
99.04434	1.9
107.04952	1.2
109.02874	3.6
113.06004	91.2
116.98624	2.4
127.03913	9.0
127.04736	1.4
128.91724	1.0
131.07036	100.0
137.06004	1.0
141.04309	1.4
145.02803	2.0
145.04941	13.4
146.99693	1.2
147.04364	1.0
149.13350	0.9
161.05756	0.9
163.03979	1.3
163.06010	3.7
177.05443	3.5
178.05823	2.2
179.06987	0.9
188.04456	1.2
190.05745	1.2
204.07350	2.0
228.07468	1.2
246.08479	1.9
274.07874	1.9
287.44412	1.1
293.12225	2.7
303.69989	0.9
310.09903	2.7
311.06744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	1.8
55.01858	5.3
55.05259	2.3
55.05506	29.1
56.96551	2.1
57.03424	4.2
57.07071	18.2
59.04995	3.2
65.03913	1.4
67.05167	2.4
67.05502	33.1
69.03421	5.5
69.07066	81.4
70.07391	2.7
70.36660	3.9
71.04996	8.8
71.08287	1.3
71.08620	9.2
73.06538	3.0
76.51326	1.1
77.04010	1.1
79.05491	14.8
80.05800	1.8
81.03407	2.5
81.07053	100.0
82.07383	2.9
83.04987	3.5
83.08137	2.0
83.08616	36.6
85.02882	3.4
85.06532	12.1
85.10176	2.0
87.08108	1.2
91.05463	9.9
93.06458	2.3
93.07040	34.5
94.07388	1.8
95.04961	6.9
95.08604	81.2
96.08926	4.3
97.06532	9.6
97.10171	15.6
98.20715	1.5
98.98444	1.8
99.04465	1.2
99.08081	9.3
105.07027	18.7
107.04929	1.6
107.08594	37.7
108.08898	1.2
109.06514	4.1
109.10151	47.6
110.10452	2.8
111.08083	26.7
111.11712	10.7
113.09636	2.0
119.04974	1.3
119.08580	14.9
121.06521	1.8
121.10142	24.0
122.10487	1.8
123.08109	5.9
123.11697	38.7
124.12029	1.7
125.09615	4.1
125.13250	3.1
127.07482	1.4
129.05515	1.3
131.08551	3.1
133.10100	10.3
135.08032	1.8
135.11684	20.1
137.05989	1.8
137.09593	7.3
137.13254	15.5
139.11168	4.7
141.63130	1.2
143.08536	1.4
145.10088	2.0
147.04329	1.9
147.07990	1.6
147.11696	13.5
148.12143	1.5
149.09615	1.6
149.13260	15.6
151.11180	4.0
151.14828	3.0
153.05525	1.2
153.12712	8.7
155.14258	1.9
155.30278	1.1
159.11716	4.2
161.09622	4.3
161.13255	7.6
163.11186	2.1
163.14832	10.4
165.09077	2.2
165.12772	9.2
165.16335	1.6
167.14325	2.6
173.13260	2.3
175.14787	4.3
177.16402	6.0
179.14268	2.6
179.17931	2.3
181.15811	2.0
189.16394	1.9
191.17917	3.2
195.17435	1.6
199.14688	1.3
203.17950	2.4
206.07201	2.1
207.17429	1.3
209.18872	2.1
217.06578	1.4
217.19516	3.5
231.21039	2.4
234.06677	3.5
235.07498	1.4
235.20563	1.7
249.09097	3.8
251.07033	1.5
262.06345	1.3
266.09341	1.4
273.18436	2.1
273.22986	1.1
273.25665	7.4
277.08560	11.4
279.26837	1.9
281.11746	3.3
291.16333	1.5
291.19516	4.2
291.23355	2.2
291.26776	22.2
291.81372	1.4
292.27289	2.3
294.08752	2.5
309.07547	4.1
309.11194	16.7
309.20883	2.3
309.24472	2.0
309.27826	28.6
310.11130	2.1
310.28180	2.1
316.34335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.94793	1.6
55.05510	24.2
56.76846	1.7
57.03411	2.2
57.07076	19.1
59.05009	2.6
67.05499	38.7
69.07062	58.2
70.07386	2.1
70.69608	2.2
70.69944	4.2
71.04978	4.0
71.08634	13.8
78.86749	1.4
79.05485	19.4
81.07053	97.4
83.04955	3.5
83.08613	28.7
85.06523	1.8
85.10178	4.6
86.77294	1.5
91.05472	12.6
93.07037	32.7
95.04950	5.4
95.08602	100.0
96.08900	3.9
97.06531	5.3
97.10168	20.0
99.08067	3.1
105.07021	21.5
107.08584	28.4
109.06504	3.9
109.10146	57.6
109.39637	1.9
111.08054	5.2
111.11713	12.5
114.13376	1.5
118.68070	1.5
119.08577	15.5
121.09326	1.9
121.10144	25.3
121.49068	1.5
123.08037	5.1
123.11696	31.9
125.09637	1.9
125.13274	4.6
127.07548	2.7
133.10118	12.6
135.11693	17.0
137.09598	3.2
137.13257	13.3
139.11172	3.8
145.10028	1.8
147.11687	18.7
149.13263	14.7
151.14821	3.2
161.13269	9.5
162.96103	1.9
163.14828	9.8
165.12706	6.1
165.16383	3.5
175.14809	5.3
177.16374	6.2
177.27907	1.7
179.14340	2.0
179.17914	3.8
180.74924	1.6
189.16435	4.0
191.17946	2.6
203.17894	2.2
217.19455	4.9
223.57924	1.8
226.35875	1.9
249.09042	2.8
273.25717	23.8
277.08664	4.2
291.26901	18.5
309.11115	6.9
309.27780	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
54.59665	1.3
55.05265	1.6
55.05507	22.1
57.03415	2.3
57.06862	1.1
57.07072	12.4
57.38955	1.2
65.03925	1.4
67.05500	41.3
69.07063	48.4
70.86944	3.4
71.04988	8.2
71.08615	5.1
79.05492	14.1
81.07050	98.5
82.07354	1.6
83.04980	2.2
83.08614	24.4
85.06533	2.9
85.10151	2.9
91.05471	9.4
93.07040	29.6
95.04955	4.1
95.08601	100.0
96.08914	2.7
97.06525	6.3
97.10159	18.5
99.08081	2.6
105.07026	12.3
107.08587	24.9
109.06515	1.2
109.10149	51.4
111.08062	4.2
111.11703	10.5
112.68326	1.3
116.46263	1.1
119.08572	7.6
121.10141	25.3
121.31807	1.2
123.11693	32.2
124.12084	1.3
125.13245	3.9
133.10112	5.1
134.76781	1.4
135.11699	16.7
137.13248	10.3
139.11116	2.4
147.11629	8.6
149.13254	17.0
151.14809	5.1
161.13193	6.6
163.14822	11.0
165.16379	2.8
167.14226	1.9
175.14851	1.5
177.16357	5.7
179.17929	4.6
189.16406	2.2
191.18021	2.4
194.05891	1.4
195.30466	1.2
203.17915	2.3
216.78661	1.5
217.19496	3.7
249.09352	1.3
272.30603	1.5
273.25748	13.1
274.25958	1.6
291.26822	11.1
292.27371	1.2
294.08563	1.7
309.27896	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	309.2786
Annotation	Labdenediol
Peak:m/z	Relative Intensity
55.01868	4.4
55.05509	29.5
57.03427	4.6
57.07071	21.7
59.04991	2.6
65.03920	3.3
67.05505	46.8
69.03436	3.9
69.07063	45.6
70.04055	3.1
70.07968	11.2
71.04993	7.6
71.08627	13.3
79.05493	25.0
81.07054	100.0
82.07378	3.1
83.04985	9.9
83.08616	30.8
85.02899	3.0
85.06541	7.2
85.10172	5.4
87.43631	2.3
91.05475	18.7
93.07035	49.3
95.04942	13.3
95.08603	85.8
96.08934	3.7
97.06540	8.8
97.10171	18.1
98.20886	2.3
99.08082	4.4
105.07027	26.8
105.59032	2.5
107.08591	32.6
109.06522	6.4
109.10150	47.5
111.08085	5.4
111.11718	9.3
117.07085	3.2
119.08578	22.7
121.10134	35.6
123.08070	17.7
123.11707	22.3
124.72046	2.3
125.09611	5.5
125.13278	3.3
131.08575	5.2
133.10120	19.8
135.11714	21.9
137.09639	9.5
137.13252	10.3
145.10150	4.1
147.04387	3.1
147.10648	3.1
147.11699	24.2
149.09549	2.4
149.13249	14.1
151.11208	7.0
151.14815	6.3
153.12746	2.4
157.10155	3.3
161.13268	13.9
163.14848	11.8
163.45175	2.3
165.12767	5.7
165.16302	3.7
171.11732	2.2
175.14841	10.2
177.16539	2.2
179.17931	2.5
186.16502	2.6
189.16408	9.0
191.10652	2.9
191.17966	3.5
203.17931	4.3
217.15909	2.8
217.19528	7.4
247.24205	5.3
249.09335	3.0
269.08337	3.8
273.18546	5.7
273.25708	34.9
277.08594	4.8
291.19580	7.6
291.26785	22.5
309.07846	3.9
309.11273	12.5
309.20700	7.0
309.27872	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.11517	2.4
53.03936	3.2
55.01856	2.8
55.05293	2.4
55.05511	25.0
57.03185	3.3
57.03435	42.4
57.07058	4.2
67.05501	67.8
67.32619	2.4
69.06773	2.8
69.07069	29.8
70.63750	2.3
71.04987	3.4
71.08632	20.2
76.35374	2.7
76.66074	2.4
79.05061	3.9
79.05492	51.9
81.03419	4.7
81.07053	100.0
81.59278	2.5
83.04977	7.5
83.08593	12.1
83.39504	2.5
85.06538	11.9
85.97330	2.4
91.05471	31.8
93.06473	4.3
93.07044	69.1
95.04954	9.0
95.08606	82.7
95.09229	4.3
97.06506	10.2
97.10150	9.9
98.21532	4.2
99.08093	22.9
105.07024	24.1
107.08579	50.9
109.06502	7.4
109.10156	35.3
111.08035	5.6
111.11722	5.2
117.06995	10.6
119.08600	25.7
121.10139	53.4
123.08051	10.8
123.11694	12.1
125.09599	4.4
129.07056	3.9
131.08566	15.5
133.10136	27.2
135.08034	4.2
135.11679	41.5
137.09601	8.2
137.13235	4.5
139.11128	3.8
143.08600	5.1
145.10088	17.6
147.11665	16.7
149.09590	3.8
149.13271	20.9
151.11176	9.8
153.12665	2.7
159.11714	17.2
161.13258	16.7
163.11163	9.3
163.14771	7.3
165.12715	3.7
171.11682	8.9
173.13185	8.4
175.14844	8.3
177.12781	3.8
179.12926	4.0
179.14311	42.5
181.12126	2.9
185.13231	4.2
187.14862	25.7
187.88791	2.5
188.15234	2.5
199.14888	4.1
201.16322	4.3
203.17929	6.4
205.15813	12.5
219.17612	2.8
221.18996	8.8
221.41661	2.4
237.18506	7.0
241.19482	13.1
259.20563	23.3
277.21619	76.7
291.23236	19.8
298.63141	2.6
308.61237	2.8
309.24274	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	309.2786
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
51.66927	1.3
53.03936	2.2
55.01872	1.9
55.05507	22.3
57.07075	12.8
57.61685	1.4
67.05162	2.5
67.05500	34.4
69.07062	47.9
70.86880	3.8
71.04984	6.2
71.08630	7.1
79.05487	14.9
81.03370	1.3
81.07050	100.0
82.07388	1.8
83.04974	4.9
83.08611	25.0
83.89455	1.4
85.06541	2.5
85.10175	3.0
85.97318	1.3
89.19508	1.2
91.05479	6.9
93.07039	30.6
95.04963	5.5
95.08600	94.5
97.06514	8.3
97.10167	18.2
99.08077	2.8
105.07019	13.7
107.08581	28.4
109.06522	2.2
109.10141	55.5
111.08102	5.0
111.11735	11.4
119.08589	9.9
121.10128	24.8
123.08047	2.1
123.11699	30.7
125.09610	3.5
125.13268	4.5
133.10129	7.5
135.11678	21.0
137.09618	1.7
137.13252	13.5
139.11163	4.1
139.14738	1.4
147.11652	8.9
149.13245	19.8
151.11128	1.6
151.14835	5.9
153.12761	2.2
155.10651	1.4
161.13248	5.1
163.14871	8.2
165.12723	2.0
165.16388	2.1
167.14383	2.2
175.14801	1.7
177.16385	5.7
179.17947	4.8
189.16396	2.8
191.17964	6.1
195.17479	1.9
203.17903	3.8
205.19455	2.0
217.19598	3.7
247.24107	3.2
249.09143	2.5
250.36620	1.4
273.25735	16.0
277.08609	2.8
291.26794	17.7
309.11310	5.6
309.20651	1.7
309.27859	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.62771	0.6
53.03935	1.3
55.01862	3.1
55.05506	19.0
57.03442	1.0
57.07064	1.2
58.06590	0.7
59.04992	0.9
67.05502	13.3
69.03422	3.7
69.06716	0.9
69.07064	9.7
70.14190	2.7
71.04979	0.9
79.05486	10.2
81.03435	1.6
81.07054	13.6
83.04972	2.7
83.08616	10.3
85.02907	1.1
85.06539	0.9
91.05470	7.0
93.07033	8.7
94.51025	0.7
95.01333	0.8
95.04963	4.4
95.08605	8.1
97.02882	1.0
97.06508	1.9
97.10169	15.8
98.20889	0.7
105.07037	7.3
107.04951	2.2
107.08577	9.0
109.02894	1.4
109.06488	2.0
109.10153	4.0
110.93254	0.7
111.04427	1.5
111.08054	1.0
117.07004	3.0
119.04900	0.7
119.08572	5.8
121.06477	2.5
121.10143	3.9
123.04478	0.9
123.08062	4.7
123.11715	0.9
125.05942	0.7
125.09624	11.6
129.07019	2.3
131.08577	4.4
133.06493	2.8
133.10107	2.3
134.07292	0.8
135.08006	2.4
135.11693	1.4
137.09616	1.4
143.08534	1.6
145.10107	3.5
147.08022	3.2
147.11708	1.8
149.09607	1.5
153.09074	1.7
153.12672	1.1
157.10110	1.7
159.11690	1.6
161.09573	1.3
161.13258	0.7
165.09160	1.8
169.10236	0.9
171.08205	0.8
171.11742	0.9
173.13354	0.8
175.11209	1.0
185.13367	1.1
189.11237	6.8
189.12746	1.2
213.00058	0.9
217.12195	1.2
223.13261	4.6
235.13333	0.8
245.19138	1.4
249.14931	1.1
255.17555	1.2
263.20081	1.2
273.18460	8.9
291.19522	100.0
292.19852	5.0
309.15079	1.3
309.20636	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03931	2.1
55.01855	5.9
55.05497	7.5
57.03431	28.8
57.07064	5.2
63.51545	1.8
67.05499	30.4
69.03412	2.9
69.07053	7.5
71.04987	5.4
71.63235	3.4
79.05497	12.8
81.03423	2.7
81.07047	20.4
83.04962	2.3
83.08600	4.3
85.02911	2.3
85.06538	30.1
91.05476	10.4
93.07035	19.5
95.04970	36.4
95.08585	13.6
105.07018	12.2
107.04945	4.1
107.08575	13.2
109.02915	2.1
109.06521	31.9
109.10143	6.2
113.05997	100.0
117.07022	5.9
119.08566	7.0
121.06490	3.0
121.10141	6.9
123.08018	2.5
123.11677	2.5
129.07008	4.3
131.08565	8.3
133.10141	8.2
135.08052	30.7
135.11662	3.5
143.08533	4.4
145.10138	5.3
147.08083	3.4
147.11678	2.9
149.09636	5.9
149.13158	1.9
152.87392	1.9
153.27454	1.8
157.10164	3.2
161.09621	6.0
170.04027	2.3
177.12724	3.9
199.14949	3.6
217.15930	12.1
223.25536	1.8
273.18524	17.5
291.19510	45.7
292.19919	2.0
309.20618	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03937	5.7
55.01863	20.6
55.05506	25.5
57.03409	6.7
57.07057	5.9
59.63156	5.1
62.53278	4.5
67.05502	64.9
69.07066	33.0
71.04977	11.8
71.60703	6.7
72.10561	5.3
79.05480	47.8
81.03411	9.9
81.07050	92.5
83.04961	16.0
83.08598	14.4
85.02885	6.5
85.06530	10.7
91.05473	53.3
93.07046	55.2
95.04945	15.7
95.08598	42.6
97.06483	6.0
101.63481	5.3
105.07022	54.4
107.04954	10.4
107.08590	59.9
109.06494	15.9
109.10143	81.1
111.08075	12.8
117.06985	8.0
119.08556	27.4
121.06476	8.0
121.10125	19.0
123.08007	9.2
123.11698	13.9
129.06958	8.8
131.08519	13.0
133.06438	5.8
133.09215	9.1
133.10124	100.0
135.08055	6.6
135.11671	15.3
143.08582	8.2
145.10068	14.1
147.08041	12.0
149.09653	9.1
151.11179	67.3
157.10155	6.9
159.11629	7.3
161.09576	16.2
163.11176	8.6
165.09126	8.8
169.12204	24.1
171.11673	6.9
175.11205	6.0
177.12724	6.7
215.12769	9.8
245.18965	16.6
251.73595	6.6
263.20071	15.4
269.12219	6.0
273.18521	42.1
274.18759	5.3
291.19537	84.2
309.10294	5.9
309.21140	29.3
309.24213	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.14864	1.7
53.03940	3.2
55.01865	10.1
55.05510	42.0
56.96568	3.4
57.03431	6.0
57.07075	15.3
57.53543	1.7
59.04992	2.7
65.03935	2.5
67.05502	44.1
68.60771	1.6
69.03425	5.2
69.07066	36.8
71.04984	6.9
71.08640	12.2
71.60902	2.9
73.02897	1.7
79.05489	36.2
81.03404	12.5
81.07056	100.0
83.04967	16.4
83.08620	30.7
85.02914	5.6
85.06532	4.9
85.10175	2.6
91.05474	26.3
93.07047	38.8
95.04977	16.8
95.08604	65.1
97.02863	2.3
97.06521	8.3
97.10165	34.0
98.97577	2.7
99.04434	3.0
99.08089	5.3
101.94206	2.1
105.07037	29.1
106.07361	1.7
107.04964	20.4
107.08589	31.0
109.02850	2.8
109.06517	9.5
109.10159	38.2
111.04442	11.2
111.08083	9.1
111.11731	6.3
114.02689	1.7
116.98604	2.4
117.07014	7.1
119.08584	27.9
121.06518	3.6
121.10152	21.6
123.08069	27.7
123.11687	14.0
123.24660	1.7
125.09625	22.3
127.07539	4.5
129.07008	3.3
131.04875	8.4
131.08559	9.3
133.10109	15.9
134.99638	2.0
135.08066	5.2
135.11662	16.5
137.09578	8.4
137.13245	4.7
139.07523	2.0
139.11183	3.7
139.44675	1.8
143.08514	3.1
143.10693	2.1
145.06499	3.2
145.10118	9.8
147.04381	2.6
147.08054	6.6
147.11684	16.8
149.09636	4.4
149.13258	8.2
151.11206	2.7
151.14821	2.6
153.09128	3.3
153.12798	3.5
155.10661	2.1
157.10165	5.9
159.11688	5.2
161.09673	3.4
161.13277	8.2
163.11176	13.8
163.14832	3.4
165.09067	4.1
165.12753	6.1
165.16356	2.7
167.08466	2.1
171.07993	2.3
171.11673	3.1
173.09546	1.9
175.11182	3.1
175.14835	4.8
177.16341	3.0
179.08612	5.2
179.14339	3.1
179.17902	2.2
181.12263	4.6
182.07280	1.9
183.07947	2.2
187.14825	2.0
189.11227	12.8
189.12723	3.3
189.16409	4.2
191.10689	7.2
191.17853	2.8
193.12236	7.1
199.07600	2.6
203.18051	4.5
205.15860	2.2
205.19716	2.1
207.08052	4.4
210.06773	5.6
211.13202	3.3
217.19511	3.3
223.13237	4.4
225.09067	5.9
227.12709	4.5
227.17987	2.4
235.07611	3.2
245.19070	3.8
249.15039	2.1
253.08597	62.9
254.08566	2.8
255.17369	2.3
263.19946	2.4
273.18546	16.2
273.25757	17.9
277.08490	3.1
291.19540	53.9
291.26831	13.4
292.19977	2.8
305.12573	3.3
309.11435	2.9
309.14896	13.8
309.20538	19.8
309.27902	16.3
310.14807	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.16574	5.3
53.91879	4.9
55.01868	11.3
55.05510	56.2
55.48970	6.3
56.37914	5.2
56.96553	10.6
57.03440	27.4
57.07064	11.5
59.04983	8.3
67.05498	60.4
69.03425	6.7
69.07063	39.1
71.04990	8.3
71.08601	6.5
71.59997	11.7
73.02913	7.3
79.05486	85.9
81.03391	7.2
81.07059	95.4
83.05003	9.1
83.08614	31.8
85.02905	10.3
85.06532	8.3
91.05474	91.0
93.07045	100.0
95.04964	25.8
95.08600	64.0
97.02853	6.1
97.06541	8.1
97.10167	24.4
99.08078	15.2
100.11250	17.0
105.07013	63.2
107.04968	17.4
107.08586	80.9
108.52811	6.2
109.06524	16.8
109.10164	26.5
111.04429	12.3
116.39399	6.3
117.06998	29.1
117.51511	6.3
119.08578	75.0
121.06499	9.2
121.10134	48.9
123.08080	13.6
123.11713	22.7
125.09595	13.2
128.06198	5.9
128.07072	8.3
129.07004	15.8
131.08586	34.4
133.10097	56.7
135.08040	17.7
135.11652	15.4
137.09604	8.5
143.08556	12.4
145.10143	14.4
147.08069	10.5
147.11674	17.7
149.09616	7.4
149.13173	7.0
157.10138	23.9
161.09650	10.9
171.11740	12.8
175.11143	6.7
182.15396	55.5
189.11191	11.0
189.16367	18.5
199.14809	51.5
210.14882	71.9
217.15866	69.0
219.49834	5.9
235.16887	10.8
249.07021	6.2
255.17389	8.5
273.18433	35.8
273.25708	7.9
291.16412	12.2
291.19537	76.3
291.26465	8.3
292.19800	6.2
309.11133	7.6
309.20593	47.6
309.24872	13.0
309.28070	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Allamandicin
Peak:m/z	Relative Intensity
51.89856	1.0
52.08476	1.0
55.01866	3.5
55.05484	1.0
55.33989	0.9
57.03424	2.3
65.03868	0.9
67.05498	1.2
69.03419	2.1
69.70647	7.5
73.02929	5.4
79.05470	1.2
81.03433	1.3
81.07030	1.4
84.08131	1.0
85.02891	3.4
89.03871	2.3
91.05476	3.0
93.07058	1.2
97.53761	0.9
101.02360	2.1
103.03945	5.0
103.05451	5.3
105.07046	1.4
105.74085	1.0
109.54514	1.1
110.06024	1.3
115.05441	8.0
117.03349	3.7
117.07005	1.1
117.70201	0.9
119.04929	3.6
122.05991	1.5
124.07577	1.0
125.05964	1.7
128.06229	1.5
129.07016	4.9
131.04938	8.6
133.06464	2.0
134.03641	1.0
136.07533	0.9
137.05969	4.2
140.07088	1.3
140.57903	0.8
141.06944	2.9
141.15208	1.0
143.04912	11.1
144.05669	1.0
145.02785	3.2
145.06450	3.6
146.03645	2.6
147.04419	8.7
148.05147	1.8
149.05969	27.8
151.03833	3.2
152.07014	3.2
153.05423	3.8
154.08617	1.8
157.06453	3.7
157.07584	1.0
159.04408	2.7
160.05161	6.3
161.05968	14.6
162.03111	2.3
162.06642	1.2
163.03816	1.3
163.07507	2.5
167.04877	1.2
169.06532	4.9
171.04369	7.4
173.05969	1.7
174.06715	2.7
175.03932	8.8
175.07521	23.9
176.04643	4.3
177.05458	100.0
178.05968	3.5
179.06946	1.4
181.04985	1.3
184.05174	4.0
185.05991	5.7
187.03903	1.8
187.07524	5.4
188.04594	2.2
189.05450	9.9
189.09050	2.8
190.06194	1.7
191.07034	15.0
193.04948	4.0
195.06541	3.6
197.05966	1.7
199.03874	2.2
201.05418	6.6
201.09042	2.6
203.07018	22.4
204.04173	1.9
205.04979	3.8
205.08551	1.8
207.06514	39.2
208.02864	2.2
208.06912	1.6
212.04659	4.0
213.05418	5.7
214.06326	1.7
215.07027	2.9
217.04951	3.5
217.08543	6.9
219.06522	8.6
221.08051	4.2
227.07014	16.0
229.08542	5.4
230.05646	1.2
231.06506	18.3
235.05971	1.4
241.04822	1.5
243.06607	1.3
245.08057	20.2
247.05991	2.2
249.07582	10.9
261.07523	2.3
263.09146	6.0
273.07599	17.2
291.08594	11.0
291.13422	2.1
309.09711	29.1
309.14130	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.3
57.03420	1.4
57.07046	1.8
60.16604	1.4
61.02921	2.8
69.03423	2.0
71.30161	3.4
73.02908	9.9
73.81694	1.2
79.05499	1.7
81.03412	1.9
83.07201	1.3
85.02896	4.1
89.03949	1.7
91.05482	3.0
93.13343	1.2
94.06497	1.3
103.03916	2.0
103.05461	3.4
105.07024	2.4
107.04913	1.6
111.04422	1.7
114.14296	1.4
115.05447	13.5
117.03344	5.2
117.06991	2.5
119.04920	3.5
121.06481	1.9
122.05980	1.9
127.03929	1.5
128.06213	2.9
129.06999	7.2
130.06546	1.5
131.04907	10.2
133.06505	3.0
136.07535	1.8
137.05952	3.4
141.06938	7.0
143.04912	17.9
144.05679	2.0
145.02823	3.6
145.06512	3.7
146.03604	3.2
147.04459	8.4
147.05452	2.0
148.05167	3.4
149.05968	27.2
151.03955	2.1
152.07089	4.1
153.05431	7.0
155.04939	1.5
157.06541	9.2
159.04425	4.0
160.05194	12.1
161.05963	17.4
162.03091	3.1
162.11470	3.4
163.07498	5.4
169.06491	5.3
171.04410	11.4
173.05997	2.0
174.06769	2.9
175.03975	7.2
175.07549	43.8
176.04669	8.5
177.05463	100.0
178.05951	1.8
179.07030	2.2
184.05222	6.8
185.05865	7.3
187.03888	2.3
187.07486	7.3
188.04776	2.3
189.05457	15.4
189.09129	6.0
190.06241	2.2
191.07030	21.3
192.04091	1.5
193.04918	3.1
195.06531	6.6
197.05954	3.0
199.03859	2.3
199.07552	4.1
200.04691	2.5
201.05449	11.9
201.09164	2.3
203.07019	38.0
204.04118	1.7
205.04987	5.3
205.08636	3.5
207.06525	27.5
212.04689	9.2
213.05461	4.3
214.06212	2.7
215.07008	8.0
217.04932	6.0
217.08514	8.6
219.06522	16.7
221.08002	6.7
222.05127	1.8
224.52440	1.4
227.07001	35.3
229.08582	12.4
231.06500	31.1
235.05965	3.4
241.05023	2.2
245.08087	31.1
247.06023	6.0
247.09668	1.6
249.07611	20.1
255.06322	1.6
261.07599	4.2
263.09171	10.4
273.07574	29.2
273.12189	3.4
291.08609	18.6
291.13406	3.5
309.09689	19.7
309.14532	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05509	0.3
56.99863	0.2
57.07067	0.5
66.29993	0.2
67.05489	0.4
69.07053	0.9
70.04070	0.5
70.44183	0.7
71.08600	0.6
73.33010	0.2
79.05497	1.0
81.07050	1.8
85.06510	0.2
91.05459	0.6
93.07048	0.5
94.04189	1.5
95.04950	0.3
95.08602	0.7
100.93803	0.2
105.07018	0.2
107.04933	0.6
107.08575	0.3
109.06502	0.5
109.10180	0.2
111.11685	0.2
122.03646	5.3
137.05965	100.0
137.13229	0.5
138.06294	2.3
153.12695	0.3
172.16972	1.4
184.16969	2.4
239.91092	0.2
248.66066	0.2
265.07327	0.4
291.20224	0.2
291.23248	0.8
294.08969	0.3
308.22427	0.5
308.25955	0.5
309.11325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Allamandicin
Peak:m/z	Relative Intensity
53.03937	1.1
55.01857	4.5
57.03427	2.7
58.28132	1.1
61.02913	2.0
63.64570	1.0
63.93509	1.0
67.05501	1.6
69.03406	2.2
70.66447	3.6
73.02914	6.1
75.14713	1.0
79.05488	1.8
81.03402	1.3
81.07046	1.0
85.02893	4.8
86.09686	1.4
86.63813	1.2
89.03931	1.4
91.05463	2.6
95.01330	1.4
95.04959	1.5
97.02888	1.9
98.97588	1.3
101.02426	2.2
103.03930	4.5
103.05470	3.9
105.07001	1.5
111.04427	2.4
115.05453	9.2
117.03352	2.9
117.07034	3.0
119.04946	2.6
122.06001	1.3
124.07456	1.3
124.40442	1.0
125.05984	2.5
128.06233	1.7
129.06995	4.5
131.04938	6.9
134.03592	1.3
137.05978	5.8
140.07060	1.8
141.06992	4.8
143.04895	12.6
143.57841	1.2
144.05673	1.5
145.02834	3.8
145.06502	3.2
146.03603	2.6
147.04373	6.9
147.08069	1.4
149.05974	24.1
151.03894	3.4
152.07011	1.2
153.05461	5.4
157.05318	1.0
157.06465	6.1
159.04422	3.0
160.05215	7.9
161.05965	16.8
162.03125	5.4
163.03879	3.2
163.07538	3.0
169.06480	5.7
171.04370	8.0
172.05147	1.4
173.05907	1.9
174.06725	1.4
175.03943	9.2
175.07533	30.6
176.04684	5.9
177.05457	100.0
178.06059	2.4
179.06975	2.6
184.05197	3.3
185.05977	7.2
186.03137	1.1
186.06793	1.2
187.03816	1.7
187.07483	5.0
188.04707	2.6
189.05444	9.2
189.09100	3.1
191.03456	1.7
191.07025	16.8
193.04964	4.3
195.04736	1.3
195.06494	5.6
199.03889	2.0
199.07570	2.6
200.04684	2.5
201.05472	8.7
201.09132	2.7
203.07031	32.5
203.08980	1.7
204.07549	1.3
205.04922	6.1
205.08577	3.8
207.06512	38.2
212.04741	5.6
213.05521	6.4
215.06998	3.1
217.04910	3.2
217.08585	6.3
219.06541	13.1
221.08052	4.1
222.05205	1.2
227.07025	15.9
229.08575	7.7
231.06509	20.4
231.13879	1.2
233.08026	1.1
235.05959	3.0
241.04906	2.4
243.06444	1.9
245.08073	21.5
247.06020	3.8
249.07532	13.1
255.06436	1.7
261.07556	3.9
263.09125	6.9
273.07584	18.9
273.12137	1.6
291.08640	13.7
291.11816	1.4
291.13187	1.2
309.09671	32.3
309.14325	3.4
319.64304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01860	7.9
55.05505	6.0
56.05023	2.9
56.29110	2.6
56.60171	2.2
56.96557	10.8
57.03438	24.2
57.07064	3.3
58.06606	13.9
60.04519	6.4
61.02915	9.7
67.05499	4.9
69.03435	30.8
69.07083	17.8
70.04063	10.6
70.06586	8.3
70.08435	13.9
71.04984	5.7
72.04525	2.9
72.08149	10.4
73.02920	35.9
74.06095	5.4
75.04453	3.6
81.03426	14.9
81.07059	5.4
83.04971	10.0
83.08601	3.4
84.04514	6.7
84.08128	9.1
85.02905	62.5
85.06534	25.0
87.04474	3.8
88.07622	12.5
89.26543	2.4
91.03957	4.1
93.07025	5.7
95.05009	4.2
97.02895	30.4
98.06043	6.2
98.09697	5.4
98.97585	16.6
99.04468	5.8
102.09175	13.5
105.06983	2.4
109.02878	8.3
110.06052	6.7
111.04419	22.2
111.08078	28.0
112.07558	3.6
115.03940	5.5
115.05457	4.2
116.07063	2.7
116.98628	14.9
117.07065	3.2
126.05505	3.4
127.03896	15.8
128.07042	3.2
128.10718	73.3
128.98628	6.7
129.05504	3.9
129.09119	29.5
130.08728	2.8
130.12282	7.3
133.02827	3.1
134.99646	7.5
135.04509	2.6
137.05978	3.6
139.03926	10.3
140.04303	5.8
140.06990	4.1
143.04913	6.0
145.04979	8.3
145.06444	3.0
146.05969	8.8
146.11754	100.0
146.99667	6.6
147.04402	5.2
149.05972	6.9
153.05510	5.7
154.53456	2.6
157.06456	3.2
158.08092	5.2
158.99670	6.5
161.04677	4.9
161.05959	6.6
162.05429	4.9
162.07593	2.8
164.05167	3.4
171.04353	4.1
175.06183	3.1
175.07535	11.1
176.37671	2.8
177.00728	11.4
177.05545	19.5
185.03909	2.5
185.05948	3.6
186.07652	3.2
189.00702	3.5
189.05484	5.9
191.07065	6.1
195.06372	3.4
201.00797	3.6
203.07057	8.1
204.08684	24.3
206.10245	4.7
212.06404	6.5
219.01817	8.3
219.06531	5.9
227.07030	8.1
231.06516	6.1
234.07600	2.6
237.02852	20.5
242.07327	9.1
243.08086	4.1
245.08055	11.4
249.07558	4.3
273.07605	8.9
290.12091	2.6
290.15784	5.6
291.08594	8.2
296.12445	2.9
305.09119	5.1
308.09244	4.0
308.13391	5.1
308.17050	64.3
309.09955	5.8
309.14185	3.3
309.17502	3.2
321.08630	12.0
323.10086	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	308.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17973	2.5
53.03937	8.5
55.01867	5.2
55.05503	10.8
56.96560	20.7
57.03428	23.0
57.07063	5.8
58.06591	6.2
58.32901	2.5
59.04967	3.2
60.04517	10.3
61.02922	20.1
65.03951	3.0
67.05494	10.1
69.03425	38.2
69.07049	4.9
69.95035	6.4
69.95453	10.7
70.04068	9.9
70.06581	9.0
71.01347	4.8
71.04984	12.5
71.93706	2.4
72.04552	2.9
73.02916	32.2
74.06044	3.1
75.04463	8.9
79.05473	2.9
81.03405	18.5
81.07046	6.2
82.06577	8.0
83.04977	24.9
83.08613	4.9
84.08128	4.4
85.02900	99.2
85.06539	17.3
86.06056	6.3
86.09700	6.0
87.04455	9.9
88.07638	6.0
91.05488	3.4
93.07024	4.7
95.02375	2.5
95.04974	2.8
96.08112	4.4
97.02881	33.7
98.06055	3.3
98.09689	7.4
98.97565	40.3
99.04443	10.2
99.08086	6.8
100.07563	3.8
101.06055	6.2
102.09167	14.7
108.08112	19.8
109.02866	9.0
110.06046	5.3
110.09665	22.1
110.97556	2.8
111.04462	19.8
111.08092	17.9
112.07628	3.0
112.11320	2.9
112.64747	2.7
113.03619	4.9
115.03934	6.7
116.10733	3.6
116.98605	33.2
119.01857	4.4
126.05455	3.0
126.09177	3.7
127.03891	22.8
128.02313	5.5
128.07085	19.1
128.10707	69.3
128.98599	9.0
129.05479	26.7
129.09088	23.7
130.08626	6.1
131.00122	7.3
134.99660	23.1
136.06142	4.3
137.05885	2.6
139.03888	4.6
140.04268	4.3
142.08571	3.9
143.00157	3.4
143.04976	4.2
144.06567	3.3
144.10176	5.4
145.04962	12.6
145.10457	2.9
146.06004	89.9
146.07095	5.6
146.07927	16.2
146.11754	100.0
146.99664	10.8
147.06337	3.3
149.01207	7.0
149.05957	4.4
153.00748	3.9
158.99667	13.7
161.01219	3.0
161.02852	3.3
163.02760	6.5
169.04387	5.5
170.05161	3.3
170.99667	8.0
173.01126	3.4
175.02844	2.8
175.07513	7.2
176.03801	4.0
176.05165	23.3
177.00702	43.8
177.04114	5.9
177.05508	8.4
177.08989	3.3
178.04861	13.1
185.05743	9.0
188.09166	5.3
189.00705	21.3
189.05496	4.0
190.07109	3.9
191.02232	4.0
191.03885	3.6
198.04723	4.7
200.02399	3.8
200.04475	8.4
201.00745	5.8
206.10260	18.0
207.01820	4.8
218.06337	2.8
219.01796	17.7
219.06535	3.0
226.58859	4.4
227.06885	5.3
231.01714	3.7
231.06535	3.7
237.02802	12.1
242.07329	5.9
245.08081	3.8
249.02841	10.0
249.07536	4.6
250.06955	3.8
261.02814	3.4
263.09662	3.4
266.06592	5.5
267.03799	5.2
267.97366	3.1
273.07483	6.3
279.03976	5.3
290.15924	13.2
291.04037	18.6
291.09253	4.7
303.07465	7.6
308.12320	19.0
308.17007	96.4
309.04865	11.3
309.10501	5.7
321.08630	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	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01873	2.1
55.05265	2.4
55.05510	36.9
57.03429	5.1
57.07081	11.8
59.04985	2.1
62.48914	1.7
67.05505	33.3
67.05833	3.8
67.64919	1.7
68.33531	1.6
68.60250	1.8
69.03410	4.6
69.07066	68.1
69.84412	12.2
70.06581	2.7
71.04995	11.0
71.08617	5.0
79.05492	17.2
81.07055	100.0
83.04984	11.7
83.08624	24.9
85.06533	4.5
85.10175	2.2
87.04427	2.5
90.72192	1.8
91.05479	14.8
93.07039	57.6
95.04972	12.8
95.08604	89.3
96.08926	1.9
97.06546	8.8
97.10173	10.2
99.08078	4.3
101.51669	2.0
105.06471	2.1
105.07039	22.5
107.08595	39.1
109.06510	4.8
109.09447	3.7
109.10155	48.8
111.08061	13.8
111.11710	8.0
117.06976	3.0
119.08580	14.0
121.06473	3.2
121.10143	40.2
123.08081	5.0
123.11696	32.6
125.09659	4.5
125.13243	2.0
127.11176	4.2
131.08559	6.0
133.10129	12.1
135.07986	4.2
135.11691	26.2
137.09634	3.7
137.13258	16.7
139.03900	4.4
139.11163	7.7
145.10115	11.0
147.11671	12.2
149.09593	2.8
149.13243	26.4
151.11118	2.8
151.14816	2.7
153.12683	4.0
159.11652	7.0
161.13240	10.7
163.11191	6.6
163.14786	6.9
165.12755	4.7
167.14328	4.0
169.12215	2.2
173.13266	4.8
175.14806	6.1
177.12796	4.9
177.16414	5.4
179.17760	2.2
181.12157	2.7
187.14850	3.3
189.16402	5.3
191.18022	4.2
201.16385	3.3
201.20410	2.8
203.17982	3.7
203.94853	2.1
209.18939	5.1
215.17926	5.3
217.19534	2.4
245.22977	8.4
271.24289	12.5
289.25223	19.2
303.10928	1.8
307.09729	3.8
307.26398	87.3
308.26544	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	1.6
55.05503	21.3
57.03424	2.0
57.07076	8.3
59.04982	1.6
65.03913	2.1
67.05499	42.7
69.03410	2.1
69.07064	47.3
70.16137	7.0
71.04981	5.1
71.08597	3.5
73.38823	1.3
79.05486	22.9
81.03409	2.3
81.07053	100.0
83.04968	7.0
83.08607	17.7
85.06526	9.2
91.05469	15.4
93.07037	47.9
93.07623	2.4
95.04974	9.0
95.08601	99.9
97.06522	8.0
97.10165	13.5
98.21352	1.6
99.08092	6.1
102.54682	1.3
105.07025	28.2
107.08585	39.8
109.02832	1.9
109.06486	4.7
109.10152	65.5
111.08084	6.9
111.11703	10.8
113.09605	2.8
117.06993	3.0
119.08570	21.0
121.06480	1.3
121.10141	37.4
123.08030	6.4
123.11691	28.2
125.09622	5.2
125.13242	2.5
131.08571	6.4
132.19524	1.2
133.10115	22.0
135.08009	2.1
135.11688	31.5
137.09647	8.2
137.13219	7.8
139.03889	6.4
139.11163	7.2
145.10104	10.4
147.11684	21.5
149.09605	1.5
149.12169	2.0
149.13254	27.1
151.11159	4.1
151.14810	5.1
153.12828	1.4
155.10649	2.8
159.11739	10.6
161.13245	19.7
163.11163	2.8
163.14778	14.1
165.12750	9.5
165.16422	2.5
167.14276	2.4
169.12166	1.5
173.13249	6.9
175.14813	10.6
177.16339	7.8
179.14299	3.7
179.17993	1.6
187.14816	6.7
187.70840	1.5
189.16336	10.0
191.14243	1.7
191.17923	4.3
193.15883	2.2
201.16336	3.9
203.17950	2.6
207.17418	2.4
215.17960	9.7
217.19495	1.9
229.19534	2.4
231.21147	3.1
233.18904	1.5
245.22621	3.0
261.25836	1.5
263.23755	2.6
271.24207	30.8
277.25174	1.4
289.25241	42.1
290.25375	1.6
292.06998	1.7
307.09604	3.0
307.26288	60.1
308.26898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01859	1.8
55.05505	18.8
57.03425	1.7
57.07071	9.0
58.06593	0.8
58.07380	1.1
59.04981	1.6
67.05169	1.3
67.05500	17.9
69.03420	2.6
69.07063	72.1
70.06589	6.9
70.07353	1.1
71.04990	5.6
71.06896	1.5
71.08636	4.1
71.60418	1.1
73.02901	1.1
79.05481	11.5
81.07049	68.1
83.04968	4.4
83.08145	0.8
83.08616	14.0
85.02877	1.1
85.06531	6.7
88.07633	3.4
89.07967	1.2
90.43298	0.7
91.05462	7.9
93.07037	33.7
94.07372	1.1
95.04962	8.0
95.08598	50.9
96.08936	0.7
97.06503	6.6
97.10165	6.8
99.08079	2.1
102.09170	1.6
105.07023	28.7
107.08582	25.4
108.08873	0.9
109.06499	6.5
109.10146	27.6
111.08070	6.6
111.11712	15.3
113.09624	1.6
117.07011	1.6
119.07778	1.2
119.08573	16.5
121.10133	34.8
122.10390	0.8
123.08049	2.5
123.11698	30.7
124.12091	0.9
125.09604	3.4
125.13221	1.7
127.07547	1.3
127.11166	1.0
131.08551	3.3
132.10199	1.7
132.95831	0.8
133.10098	6.7
135.08035	1.1
135.11661	13.2
137.09583	2.5
137.13228	11.2
139.03882	1.0
139.11168	19.6
145.10110	4.9
146.11739	2.0
147.11674	18.7
149.09625	1.0
149.13246	16.5
151.11151	3.3
151.14809	3.7
153.12726	6.8
159.11678	3.7
161.13277	5.7
163.11131	1.9
163.14822	4.7
165.12740	25.4
167.14372	3.5
169.15906	1.8
173.13219	2.5
175.14803	2.7
177.12761	1.0
177.16367	3.7
179.14326	1.4
183.13768	1.7
186.96919	0.9
187.14821	2.7
189.16348	3.5
191.17876	1.9
193.15831	1.1
195.13902	0.7
200.20108	2.4
201.16335	2.3
201.20406	7.3
203.17967	2.0
209.19020	1.9
215.17958	3.1
217.19574	1.2
219.17412	1.1
221.35107	0.8
229.19543	0.9
244.22746	2.6
245.22966	17.7
263.23630	1.4
271.24191	8.2
277.25195	2.9
289.25259	20.4
290.25797	1.1
307.09341	1.1
307.26505	100.0
308.26752	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.75998	2.0
53.03934	4.2
55.01867	2.8
55.05504	20.1
56.96543	3.5
57.03433	46.6
57.07066	3.5
59.04983	2.0
65.03924	2.9
67.05499	41.4
69.03447	2.3
69.07057	23.5
70.16122	9.0
71.04985	6.2
73.06551	2.7
79.05489	54.3
81.06580	3.2
81.07049	54.4
83.04977	3.8
83.08611	12.8
85.06539	14.8
91.05472	58.4
93.06465	4.3
93.07037	75.4
94.07351	2.9
95.04974	16.3
95.08595	50.8
97.06511	9.5
97.10141	4.6
98.06058	4.4
99.08073	5.5
105.04472	2.7
105.07021	68.3
106.07338	2.2
107.04988	5.1
107.08584	55.5
109.02840	2.4
109.06503	25.0
109.10143	13.7
111.08065	6.2
113.72990	2.0
117.07008	19.6
119.08569	59.5
121.02882	4.9
121.06475	7.8
121.10133	26.7
123.08070	7.6
125.09595	6.2
128.06210	2.4
129.06989	8.5
131.08559	26.0
133.10123	38.6
134.10413	2.5
135.08067	6.2
135.11662	7.7
137.06053	3.1
137.09586	3.8
141.06940	4.4
143.08562	14.3
145.10123	21.2
147.07994	3.1
147.11696	24.7
149.09631	15.2
149.13242	4.1
151.11168	4.2
155.08484	2.5
157.10086	9.6
159.11693	39.9
161.09587	3.1
161.13245	28.0
163.11148	9.3
165.12746	24.5
169.10162	2.4
171.11717	4.4
173.13235	15.3
175.11194	6.5
175.14824	10.8
177.12666	3.2
183.11592	5.5
185.13243	45.3
187.14832	2.4
191.14267	4.5
197.13312	3.1
201.16422	10.2
203.14311	33.2
205.15866	3.8
215.17902	3.0
219.17426	86.9
220.17815	4.4
229.19432	2.9
235.16928	35.8
239.17915	13.5
257.18973	28.1
270.84363	2.5
275.20047	100.0
276.20346	4.3
289.21613	44.0
307.09512	3.5
307.22696	43.8
307.28149	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05517	0.6
67.05500	0.9
69.03415	0.6
69.07076	0.6
69.34685	2.8
69.35090	0.6
71.05008	0.3
72.78966	0.4
77.03946	0.4
79.05491	1.0
81.03407	0.3
81.07057	2.6
82.05035	0.2
83.04993	0.4
85.02890	0.4
91.05495	1.2
93.07040	2.1
94.06557	0.3
95.04970	0.5
95.08598	1.7
96.08141	0.8
97.06508	0.3
98.21470	0.5
105.07001	0.5
107.08604	0.8
108.08112	0.8
109.02881	0.3
109.06524	0.5
109.10153	1.0
110.09691	0.5
111.08066	0.7
113.05974	0.4
119.08569	0.6
121.10121	1.0
122.06046	1.1
123.06799	0.9
123.11723	0.7
124.07590	6.5
126.05530	0.5
126.09144	4.4
127.03950	0.4
133.10129	0.8
135.11719	0.6
136.07567	52.1
137.07916	1.4
137.09613	0.6
138.09126	48.9
139.03903	0.6
139.09486	1.1
140.07047	1.8
147.11617	0.4
149.13226	0.3
150.05539	0.5
152.07051	15.8
153.07405	0.3
161.13263	0.2
163.14867	0.3
164.07054	100.0
165.07402	2.3
170.08118	4.8
182.08115	23.9
183.08434	0.5
184.09700	0.4
215.23302	0.3
289.12213	0.3
289.15445	6.3
289.18494	0.6
289.25070	0.6
290.15848	0.4
292.07175	0.4
307.09512	0.3
307.13000	0.4
307.16440	3.1
307.26025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01856	12.7
55.05505	71.9
56.38860	4.0
57.03416	8.2
57.07065	6.7
65.03938	5.8
67.05501	57.7
69.03436	5.2
69.07072	24.5
70.85622	9.4
70.85996	9.1
71.04973	7.1
79.05482	100.0
81.03399	10.5
81.07049	60.1
83.04979	27.4
83.08626	21.0
91.05465	47.5
91.30928	4.6
93.07029	56.0
95.04936	15.2
95.08614	38.4
97.06513	16.9
97.10172	45.6
105.07017	42.7
107.04940	43.5
107.08585	82.9
109.06505	7.0
109.10139	23.7
109.10738	4.3
111.08083	9.9
117.06989	18.9
119.08562	31.3
121.06467	7.6
121.10120	24.1
123.08009	6.1
123.11682	10.1
124.24363	3.8
125.09619	65.8
129.07002	5.9
131.08539	19.0
133.10121	34.2
135.07112	4.3
135.08037	24.7
135.11694	14.9
140.82475	4.2
145.06401	4.9
145.10095	14.9
147.11638	23.3
149.09602	65.1
149.13202	7.4
151.11206	5.1
153.09077	16.6
159.11685	13.2
161.09610	3.9
163.11156	6.8
169.10097	4.8
169.12123	6.2
171.10243	4.7
173.11716	6.3
173.13152	9.9
177.12685	5.0
179.14285	5.3
187.13333	6.6
191.14404	7.0
203.12755	58.3
204.06859	4.6
209.15419	11.7
219.17529	4.2
229.19392	8.7
247.20715	6.7
257.18961	19.0
275.20035	98.1
307.22610	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	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01869	1.2
58.07887	0.3
69.07054	0.5
69.71599	1.8
69.72007	0.6
81.32849	0.3
87.34117	0.4
98.06036	0.6
107.08559	0.5
108.04451	0.9
113.75383	0.4
122.06013	1.9
123.04378	0.4
124.07552	0.8
132.07964	0.4
135.08051	1.5
136.07559	0.9
138.05510	0.5
140.07097	2.3
146.09634	0.8
150.09169	0.6
159.09241	0.5
160.07565	1.5
163.08661	1.2
168.06564	2.6
170.09773	0.4
173.10791	0.7
174.09143	1.9
176.07025	0.6
176.10741	0.6
177.10236	1.2
178.08629	11.5
182.08073	0.9
184.07529	1.2
187.08673	1.5
188.07047	3.2
188.10629	0.5
189.10280	0.6
191.08138	0.5
198.09085	1.8
200.10716	0.8
201.06557	0.9
201.10222	3.0
202.08633	5.7
204.10229	0.5
205.09744	3.4
206.08110	2.2
207.02870	0.4
211.08653	0.4
212.07074	1.0
215.11626	0.5
216.10217	2.5
217.09744	0.7
219.07651	0.7
219.11281	4.7
220.09703	1.6
225.10220	0.8
226.08630	2.5
229.09744	4.9
230.08145	3.4
243.11263	1.8
244.09727	3.8
247.10794	10.0
248.09103	0.6
254.08005	0.5
261.12250	1.2
262.10754	1.8
265.11810	12.6
271.10767	1.6
272.09195	1.7
289.11819	13.8
290.09949	0.7
307.12857	100.0
308.13223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
51.48299	0.2
53.00302	0.5
54.20486	0.2
55.01858	0.7
65.03923	0.9
67.05492	1.0
68.99779	1.0
69.03413	0.4
70.74746	0.6
73.02904	0.5
74.73677	0.2
79.05492	0.4
79.53444	0.2
80.18885	0.2
81.03423	0.3
81.07041	0.3
83.04970	0.6
85.02876	0.6
85.06507	0.3
91.05463	0.2
93.03392	0.7
93.07039	0.2
95.04954	1.3
97.02872	0.4
98.97563	0.3
103.05458	0.3
106.97049	0.2
107.04946	1.2
109.02818	0.2
111.00797	0.3
111.04447	1.3
116.98629	0.2
120.73877	0.2
121.02839	0.7
121.06465	0.3
123.04407	1.5
127.03906	1.0
127.07566	0.4
130.06499	0.4
131.04942	1.1
133.02824	1.6
135.04388	3.0
139.03889	100.0
140.04227	2.0
145.02838	0.4
145.08578	0.3
147.04370	0.4
149.05975	0.9
151.03902	4.3
153.01849	0.6
153.05470	1.1
157.07626	0.3
158.06012	0.6
159.04439	1.8
161.06075	0.2
163.03899	9.1
164.04277	0.3
167.06975	0.3
169.04964	2.7
175.08638	0.3
177.05446	2.9
179.03319	0.2
181.04945	5.9
193.05022	0.4
193.86063	0.2
195.06540	3.0
205.04997	0.9
223.05962	1.2
229.04979	0.3
238.07166	0.2
247.06024	0.7
261.08609	0.2
288.43457	0.3
289.06931	1.1
289.11795	0.3
307.07837	1.3
307.12955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60764	0.7
71.61115	0.3
76.00881	0.3
90.77084	0.3
101.00846	0.3
119.01920	5.6
134.99792	0.3
137.02943	2.5
153.00925	0.5
165.06932	0.3
177.00940	11.2
178.01021	0.7
195.02010	0.3
200.02631	0.3
200.60466	0.3
201.01006	0.5
217.04059	2.2
219.01996	20.7
220.02121	1.1
221.01857	0.8
225.00868	2.3
242.03595	0.6
243.01955	6.1
258.06784	0.6
261.03055	100.0
262.03198	4.4
266.03568	0.4
284.04703	7.3
285.04865	0.4
302.05936	0.6
307.14182	0.3
324.19638	0.3
324.44559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	23.4
55.05506	10.6
56.96559	6.1
57.03430	1.1
57.07068	4.9
59.04994	1.4
63.92684	0.7
67.05497	10.4
69.03417	1.9
69.07063	22.5
69.37827	0.7
70.75750	1.8
71.05001	4.3
71.08616	1.3
71.69514	0.7
71.95258	1.1
73.02906	2.2
76.60346	0.6
77.03896	0.8
78.05223	0.6
79.05490	7.1
81.07052	30.2
82.12445	0.7
83.04967	1.5
83.08209	0.9
83.08619	11.2
84.96033	0.8
85.02913	1.1
85.06522	1.7
87.04467	0.9
89.06010	1.8
91.05458	5.2
93.07043	18.2
95.04973	6.6
95.08599	22.7
97.02863	3.0
97.06503	3.4
97.10148	4.3
98.97555	1.6
103.05471	2.1
105.07036	5.7
107.04948	1.2
107.07861	1.0
107.08583	13.8
109.06501	2.5
109.10146	11.8
110.07764	0.8
111.08056	3.0
111.11701	3.2
116.98614	1.9
117.07005	1.3
119.08559	4.5
121.10133	12.2
123.08037	1.8
123.11678	7.5
125.09596	1.5
128.04950	1.0
130.04103	1.0
131.04903	2.5
131.08546	2.2
133.10095	3.3
134.99615	0.9
135.02618	3.5
135.07953	1.1
135.11693	5.6
137.09569	0.9
137.13254	6.4
139.03883	2.5
139.11186	1.8
142.01222	0.8
145.10124	2.9
146.05978	1.6
147.11671	1.9
149.09628	1.4
149.13255	7.1
151.09692	1.3
151.11104	1.4
156.04376	1.3
157.05229	4.5
159.11668	2.8
161.13234	3.0
162.03693	5.7
163.02078	2.5
163.11185	2.7
163.14795	2.3
167.14314	1.2
172.02150	6.6
173.02919	1.0
173.13205	1.2
175.14751	0.8
177.00739	1.5
177.12756	1.1
177.16380	1.1
181.12184	1.3
187.14752	0.8
189.02475	1.2
190.03181	2.0
192.04683	1.8
215.17899	0.9
217.04233	2.1
217.07414	1.1
218.02724	1.9
235.05333	23.4
235.07697	1.3
236.03743	100.0
237.04118	1.7
241.11134	3.5
247.05351	49.4
247.24263	1.1
248.05687	1.2
259.12143	6.2
261.06314	1.0
271.24167	2.7
285.10010	3.9
285.15649	0.9
286.12485	2.8
286.62540	0.9
289.06384	34.3
289.09604	1.6
289.25241	4.7
303.11169	3.7
307.07428	25.5
307.18964	1.0
307.22919	0.8
307.26291	14.7
308.11542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41032	0.3
53.02449	0.3
69.07056	1.4
71.03549	1.0
79.05487	0.5
81.07043	0.7
91.05494	0.7
93.07033	0.4
94.04165	1.6
95.08602	0.4
100.07631	0.4
107.08596	0.5
109.10164	0.4
111.61255	0.3
122.03644	5.3
123.11735	0.4
126.09087	0.3
133.10121	0.6
135.11713	1.1
137.05971	100.0
138.06326	1.3
151.11205	0.5
153.12732	1.2
162.59805	0.4
170.15382	1.4
181.35971	0.3
182.15399	3.1
206.08147	0.4
232.51874	0.3
306.20633	1.3
311.14825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62318	0.2
53.03933	0.4
55.01866	1.1
55.05506	6.3
56.05003	0.2
56.96529	0.2
57.07057	0.8
59.49258	0.2
65.03926	0.4
67.05500	8.3
69.03399	0.3
69.07062	7.7
69.26411	0.2
69.26748	2.4
72.04508	0.4
79.05485	2.2
81.06574	0.4
81.07048	8.1
83.04954	0.4
83.08610	2.3
84.04005	0.2
85.05288	1.8
86.06069	0.8
91.05476	1.1
93.07034	2.5
95.04939	0.5
95.08601	5.3
96.08094	0.3
97.06508	0.6
97.10157	0.7
98.06048	14.2
98.09723	0.2
99.06843	0.3
105.07029	1.0
107.04976	0.3
107.08574	1.5
108.08138	0.2
109.06506	1.9
109.10149	1.3
110.09660	0.7
111.06860	0.2
111.08104	0.2
112.07612	1.7
117.06951	0.3
119.08580	0.7
121.06479	0.3
121.10120	0.7
123.11678	0.8
124.07523	0.3
124.11217	0.3
125.08344	0.2
125.09579	0.3
126.09148	0.7
127.03951	0.3
131.08516	0.3
133.10068	0.5
135.11649	0.5
137.05969	3.3
138.09120	0.4
139.03944	0.3
140.10672	0.7
145.10077	0.3
147.11661	0.2
149.09537	0.2
152.10724	0.3
154.12248	0.9
168.13809	0.5
182.15408	0.5
194.15367	0.3
196.16960	0.7
198.31546	0.2
208.16931	0.6
222.18483	0.8
236.20010	0.5
250.21683	0.4
251.16399	0.3
275.19955	0.9
289.21686	0.4
306.27878	100.0
307.22717	3.1
307.28159	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01861	0.7
55.05505	0.8
56.96570	0.5
57.03432	1.5
57.94188	0.3
58.99593	0.5
59.05002	0.4
61.02927	2.4
63.01915	0.4
65.03937	2.0
68.05017	1.9
69.03426	6.7
69.49397	2.5
71.04979	0.6
73.02917	2.3
79.05478	0.5
81.03417	1.7
81.07056	0.8
83.08631	0.6
84.04514	2.2
84.08137	0.7
85.01156	1.9
85.02899	15.9
87.04457	1.3
91.03963	0.4
91.05482	0.4
97.02882	5.0
97.06541	0.4
98.00636	1.7
98.97568	0.6
99.02677	3.4
99.04444	0.8
101.02391	0.6
103.03935	0.5
106.18990	0.3
109.02873	1.3
111.04454	0.4
113.02984	1.7
115.03945	0.5
116.98618	0.4
123.52046	0.4
126.03732	28.3
126.09135	4.2
127.03765	3.5
127.04619	1.4
128.04253	0.4
130.06502	0.5
134.99680	0.4
136.90027	0.4
137.05960	1.2
139.03899	1.6
144.04774	100.0
144.10178	9.4
145.05048	3.0
157.04942	0.5
157.07600	0.6
158.06024	0.5
175.08633	0.4
175.85686	0.4
186.05800	2.7
210.58702	0.3
241.13197	0.4
268.52454	0.4
289.07990	0.5
306.10019	18.2
306.16821	1.2
326.79251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	1.6
55.01850	4.1
55.05508	23.9
57.03431	2.5
57.03703	1.5
57.04447	1.4
57.07055	8.0
59.04995	3.9
65.03930	2.7
66.67613	1.4
67.05499	33.2
69.03442	8.5
69.07063	52.0
69.83862	11.3
71.04989	15.5
71.08629	2.1
79.05482	33.9
79.05945	1.7
81.03413	3.6
81.07053	87.0
82.07390	2.9
83.04968	9.7
83.08599	14.2
85.04574	1.6
85.06528	6.5
91.05470	22.7
93.07037	100.0
95.04970	20.2
95.08599	76.6
97.06522	10.6
97.10165	7.3
98.21398	1.9
99.08086	4.3
100.16826	1.4
105.07023	38.8
107.04961	2.3
107.08588	69.3
109.02898	3.6
109.06515	9.7
109.10152	50.3
111.08073	5.7
111.11739	8.6
113.09709	1.7
115.05502	2.1
117.07021	3.1
119.08569	31.0
121.06487	5.3
121.10134	89.3
122.10490	1.6
123.04438	4.9
123.08043	6.8
123.11697	35.6
124.94804	1.4
125.05989	5.8
125.09610	6.7
125.13280	2.2
127.03911	19.3
127.11059	2.2
129.06976	1.8
131.08534	6.8
132.17169	1.8
133.10114	25.2
135.08032	4.0
135.11685	53.0
136.12013	3.3
137.06009	1.9
137.09607	10.2
137.13268	9.8
139.03860	10.4
139.07547	1.6
139.11185	9.1
143.08536	5.0
145.10098	18.2
147.04367	1.9
147.11681	21.5
149.09601	4.2
149.13239	31.4
151.03888	14.8
151.11160	7.9
151.14816	2.0
153.12718	5.2
155.03362	4.4
157.10092	5.2
159.11703	15.8
161.09566	3.6
161.13281	8.2
163.11136	11.4
163.14787	7.3
165.05460	2.7
165.12732	6.8
167.10677	12.6
171.11703	3.2
173.13277	8.9
175.03885	2.8
175.14783	9.0
177.12787	3.5
177.16344	5.8
179.03424	9.3
179.10674	2.3
181.12219	7.8
185.13284	2.6
187.14844	8.0
189.16360	5.0
191.14378	3.3
193.15863	4.5
195.13847	2.0
199.14888	5.3
201.16420	4.8
203.17928	4.9
205.15800	3.3
213.16380	4.7
215.17958	2.1
227.17972	1.9
229.19495	2.8
243.21117	2.7
249.18535	2.0
259.24191	1.7
261.22205	2.2
269.22549	7.9
277.25208	2.2
287.05450	4.0
287.20474	3.3
287.23679	24.4
288.08963	1.6
305.06436	7.9
305.24716	89.1
306.26089	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03927	4.5
55.01866	3.1
55.05505	20.5
57.03415	4.6
57.07051	5.7
59.04985	4.0
65.03916	2.0
67.05502	33.5
67.16788	1.5
69.03406	7.0
69.03775	1.6
69.07063	54.3
69.44756	3.9
69.45168	10.0
71.01334	1.8
71.04989	15.5
71.08600	2.1
73.06571	1.5
79.05065	2.4
79.05486	33.8
81.03387	4.6
81.07050	89.8
83.04979	7.6
83.08620	12.4
85.02843	1.8
85.06518	5.3
89.03142	1.5
91.05474	23.3
92.08300	1.4
93.07037	100.0
94.07352	2.1
94.76523	1.5
95.04969	25.3
95.08596	77.9
97.06547	10.5
97.10149	7.1
99.08062	3.7
105.07022	40.4
107.04936	2.7
107.08585	81.7
108.08884	1.9
109.02835	4.9
109.06506	10.7
109.10146	45.0
111.08034	4.7
111.11687	6.8
113.09607	1.7
117.07004	3.2
119.08566	35.8
121.06474	2.8
121.10131	84.3
122.10453	2.1
123.04395	5.7
123.08038	7.2
123.11686	35.5
125.05962	5.7
125.09612	4.4
127.03902	28.5
127.11203	1.8
128.04236	1.9
129.06970	2.1
131.08542	7.4
133.02873	2.4
133.10110	29.7
134.99576	1.9
135.08005	2.4
135.10677	2.5
135.11682	44.9
137.09596	9.0
137.13249	8.2
139.03859	12.4
139.11148	10.5
143.08571	3.7
145.10100	16.4
147.07954	1.7
147.11673	23.8
149.09569	4.0
149.13264	26.8
151.03888	22.1
151.07510	1.9
151.11154	6.9
153.12714	4.3
154.03694	1.6
155.03369	5.0
155.10561	2.0
157.10071	6.5
159.11665	15.4
161.09590	2.7
161.13268	8.7
163.11150	10.6
163.14745	5.9
165.05553	1.7
165.12743	10.5
167.10649	10.7
171.11627	4.2
173.13251	10.3
175.03909	2.9
175.11179	3.4
175.14868	8.8
177.12717	3.7
177.16347	7.0
179.03336	12.8
179.14287	2.1
181.12209	7.5
185.13107	2.9
187.14798	19.0
189.16306	6.2
193.12054	1.7
199.14763	3.6
201.16469	4.5
203.17892	4.9
205.15887	4.1
213.05444	2.0
213.16313	4.7
215.17778	2.8
227.18019	1.8
229.19476	3.4
239.32822	1.6
241.19510	3.7
243.20927	1.6
244.22678	2.6
249.18361	1.7
259.06061	1.9
259.24222	2.0
269.22583	8.0
277.25110	1.9
287.05414	6.4
287.20169	4.8
287.23648	23.9
305.06479	7.4
305.21204	5.9
305.24677	74.7
306.25992	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	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
51.95932	1.4
55.01873	3.0
55.05505	7.6
57.03441	2.8
57.07057	4.1
59.48399	1.4
61.02917	6.8
67.05497	2.4
69.03431	12.1
70.07371	4.6
70.07786	3.5
71.04993	34.2
73.02906	3.0
73.06543	3.9
79.05488	4.6
81.03408	4.8
81.07063	5.5
83.04977	8.7
83.08608	7.1
85.02899	32.8
85.06547	17.0
91.03960	1.5
91.05437	2.5
94.96351	1.2
95.04967	7.4
95.08621	1.8
97.02882	10.2
97.10168	14.5
98.21399	2.2
99.04457	1.9
105.07039	1.5
107.08589	54.9
108.08118	2.1
109.02878	3.0
119.15167	1.4
123.04472	2.4
123.08012	1.7
124.07600	1.4
125.09628	94.8
127.03918	8.6
136.07578	7.7
137.05962	2.0
137.09587	2.4
143.10669	100.0
145.04926	5.4
146.06013	1.7
149.02354	2.3
151.03838	2.3
153.01854	2.9
158.05980	1.6
164.07083	3.8
167.10689	9.1
179.10606	2.3
201.09973	1.4
213.10454	1.3
231.06741	1.7
241.13391	1.7
259.05652	2.0
259.14304	2.1
269.12842	2.1
277.06711	1.6
287.05518	2.0
287.14011	3.6
305.06891	2.2
305.14676	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01857	0.5
55.05506	1.0
57.07072	0.6
59.04977	0.3
62.95346	0.3
64.62547	0.2
65.03931	0.4
66.42644	0.3
67.01844	0.3
67.05508	2.4
68.99771	0.4
69.03438	0.4
69.07058	1.7
70.16138	1.0
70.16558	0.5
71.04984	0.9
73.66275	0.2
74.57146	0.2
76.39182	0.3
76.73524	0.2
77.03934	0.7
79.05485	1.7
81.03429	0.9
81.07049	6.0
83.04977	0.4
83.08619	0.4
84.08154	0.5
85.02879	0.5
85.06554	0.5
91.05471	4.5
93.05772	0.5
93.07032	5.5
94.06563	0.6
95.04955	3.6
95.08588	4.2
96.08109	0.7
97.06533	0.7
97.10183	0.4
97.98937	0.2
98.97578	0.5
99.08073	0.4
105.04498	0.3
105.07017	2.4
107.04952	0.5
107.08607	2.8
108.08110	2.1
109.02863	0.9
109.06489	1.0
109.10150	3.1
111.00832	0.3
111.08075	0.6
116.98653	0.4
117.07005	0.5
119.08563	1.9
119.18435	0.3
121.06491	0.5
121.10122	2.1
122.06027	2.6
123.04434	1.8
123.08079	0.6
123.11691	1.6
124.07582	9.6
125.09633	0.6
126.05489	1.6
126.09162	1.2
127.03908	4.9
128.04248	0.3
131.08569	0.9
133.02859	0.5
133.10129	1.1
134.99690	0.3
135.04466	0.4
135.08081	0.4
135.11691	0.9
136.07564	100.0
137.05945	0.4
137.07906	1.0
137.09575	0.5
137.13228	0.3
138.09109	0.5
139.03867	1.9
139.11182	0.5
140.07031	1.2
143.08562	0.3
143.10616	0.5
143.77010	0.3
145.10078	1.3
147.11661	0.9
149.09538	0.3
149.13249	1.2
150.05507	0.6
151.03876	4.2
151.11147	0.6
152.07054	19.1
155.03427	0.7
157.10085	0.5
159.11671	1.1
161.13237	0.5
162.05531	0.8
163.11111	0.3
164.07051	77.1
165.07431	1.3
165.12727	0.4
166.08650	0.5
168.06525	0.2
170.08118	5.2
171.11641	0.4
173.13278	0.4
175.03897	0.4
175.07544	0.3
175.14896	0.4
177.00612	0.3
177.12746	0.3
179.03371	2.4
180.06613	0.6
182.08107	18.0
189.05537	0.3
189.16460	0.5
200.10587	0.4
201.09050	0.3
201.16368	0.7
212.09468	0.3
213.10297	0.3
213.16283	0.3
234.54541	0.3
241.13440	0.4
241.19223	0.4
245.12790	0.9
253.34012	0.3
259.05969	0.3
269.12811	2.1
269.22473	0.8
277.06912	0.6
277.12180	0.3
287.05594	1.3
287.13861	8.9
287.17087	0.4
287.23700	1.2
305.06412	2.1
305.11398	0.7
305.14844	2.6
305.17715	0.4
305.21198	0.4
305.24683	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95370	0.7
55.01870	2.4
55.05495	1.5
56.96557	0.8
57.03439	1.6
60.04519	0.8
61.02933	0.9
65.03942	1.5
65.83541	0.7
67.01848	1.1
67.05503	2.4
68.99789	3.5
69.03423	6.3
69.07063	3.9
70.06586	0.9
70.07399	1.2
71.04987	2.1
71.08627	1.4
71.27626	1.5
72.08960	1.1
78.31324	0.9
79.05455	1.7
81.03419	4.0
81.07055	2.3
83.08603	1.2
85.02892	11.4
85.06538	2.3
86.03246	1.9
87.04425	1.0
89.03914	2.1
91.05472	1.8
93.07041	1.4
94.06561	1.1
95.04952	3.4
95.08604	1.7
97.02881	5.5
97.06544	1.3
97.10159	2.7
98.03225	1.6
98.97565	2.5
100.79292	0.8
103.05468	1.0
105.03396	2.1
105.07037	1.6
107.04958	2.5
107.08580	1.4
109.02870	5.1
109.06550	0.9
109.10136	1.6
111.00781	2.6
111.04395	0.9
114.09178	0.7
115.05441	1.7
115.09499	1.3
116.98602	2.2
117.03320	0.8
117.07039	1.3
118.06544	1.2
120.04472	0.8
120.08101	1.7
121.02864	7.8
122.06028	8.4
123.04420	23.7
124.07562	0.9
125.09625	3.5
127.03899	27.2
127.04787	1.7
128.04218	1.1
128.06229	1.0
129.07011	2.6
130.06523	1.6
131.04932	1.4
131.08621	1.3
133.02834	2.1
135.04396	3.2
136.07559	4.5
137.02376	0.9
137.05968	2.5
138.09175	3.8
139.03885	11.2
140.07004	0.9
141.06926	0.8
142.08647	5.9
143.07103	1.5
143.08995	7.3
143.10606	4.8
145.04909	0.9
145.06487	1.5
146.06010	5.7
147.04413	5.1
149.02330	64.1
149.05995	2.7
150.02878	0.8
150.05537	4.5
151.03905	15.6
151.07613	0.9
153.01816	17.2
154.08624	1.1
155.03357	4.4
157.06429	4.3
158.06012	3.9
161.02348	1.7
161.06032	1.4
163.03944	1.5
163.07460	0.8
164.07056	8.6
167.07193	0.9
170.62784	0.9
171.02876	2.2
171.04337	1.8
171.09207	2.0
173.05809	1.1
173.07124	1.6
175.03891	5.8
175.07532	3.5
177.00691	1.5
177.05466	2.1
179.03380	7.8
184.09709	2.7
185.05960	10.0
185.10052	5.6
189.00951	0.8
189.05446	1.7
193.05003	0.9
197.06024	1.0
199.03902	1.6
203.03363	11.9
203.07079	2.5
213.05467	16.4
217.04892	2.0
217.08546	0.9
219.01804	1.3
219.06500	1.0
221.04819	1.0
227.06949	2.3
229.04887	1.1
231.06505	58.8
232.06844	0.8
237.02676	0.8
241.04962	9.4
245.04678	1.5
245.07907	3.9
247.05943	1.0
259.06000	100.0
260.06354	3.5
261.07684	1.2
264.05850	1.1
269.04456	3.8
269.09158	1.3
269.12610	1.1
273.07578	1.5
275.05231	1.1
277.07104	1.6
287.05487	43.6
287.09631	2.6
287.13535	3.7
288.05722	1.4
305.06561	10.0
305.11255	4.5
305.14941	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	305.0652
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
50.95370	0.7
55.01870	2.4
55.05495	1.5
56.96557	0.8
57.03439	1.6
60.04519	0.8
61.02933	0.9
65.03942	1.5
65.83541	0.7
67.01848	1.1
67.05503	2.4
68.99789	3.5
69.03423	6.3
69.07063	3.9
70.06586	0.9
70.07399	1.2
71.04987	2.1
71.08627	1.4
71.27626	1.5
72.08960	1.1
78.31324	0.9
79.05455	1.7
81.03419	4.0
81.07055	2.3
83.08603	1.2
85.02892	11.4
85.06538	2.3
86.03246	1.9
87.04425	1.0
89.03914	2.1
91.05472	1.8
93.07041	1.4
94.06561	1.1
95.04952	3.4
95.08604	1.7
97.02881	5.5
97.06544	1.3
97.10159	2.7
98.03225	1.6
98.97565	2.5
100.79292	0.8
103.05468	1.0
105.03396	2.1
105.07037	1.6
107.04958	2.5
107.08580	1.4
109.02870	5.1
109.06550	0.9
109.10136	1.6
111.00781	2.6
111.04395	0.9
114.09178	0.7
115.05441	1.7
115.09499	1.3
116.98602	2.2
117.03320	0.8
117.07039	1.3
118.06544	1.2
120.04472	0.8
120.08101	1.7
121.02864	7.8
122.06028	8.4
123.04420	23.7
124.07562	0.9
125.09625	3.5
127.03899	27.2
127.04787	1.7
128.04218	1.1
128.06229	1.0
129.07011	2.6
130.06523	1.6
131.04932	1.4
131.08621	1.3
133.02834	2.1
135.04396	3.2
136.07559	4.5
137.02376	0.9
137.05968	2.5
138.09175	3.8
139.03885	11.2
140.07004	0.9
141.06926	0.8
142.08647	5.9
143.07103	1.5
143.08995	7.3
143.10606	4.8
145.04909	0.9
145.06487	1.5
146.06010	5.7
147.04413	5.1
149.02330	64.1
149.05995	2.7
150.02878	0.8
150.05537	4.5
151.03905	15.6
151.07613	0.9
153.01816	17.2
154.08624	1.1
155.03357	4.4
157.06429	4.3
158.06012	3.9
161.02348	1.7
161.06032	1.4
163.03944	1.5
163.07460	0.8
164.07056	8.6
167.07193	0.9
170.62784	0.9
171.02876	2.2
171.04337	1.8
171.09207	2.0
173.05809	1.1
173.07124	1.6
175.03891	5.8
175.07532	3.5
177.00691	1.5
177.05466	2.1
179.03380	7.8
184.09709	2.7
185.05960	10.0
185.10052	5.6
189.00951	0.8
189.05446	1.7
193.05003	0.9
197.06024	1.0
199.03902	1.6
203.03363	11.9
203.07079	2.5
213.05467	16.4
217.04892	2.0
217.08546	0.9
219.01804	1.3
219.06500	1.0
221.04819	1.0
227.06949	2.3
229.04887	1.1
231.06505	58.8
232.06844	0.8
237.02676	0.8
241.04962	9.4
245.04678	1.5
245.07907	3.9
247.05943	1.0
259.06000	100.0
260.06354	3.5
261.07684	1.2
264.05850	1.1
269.04456	3.8
269.09158	1.3
269.12610	1.1
273.07578	1.5
275.05231	1.1
277.07104	1.6
287.05487	43.6
287.09631	2.6
287.13535	3.7
288.05722	1.4
305.06561	10.0
305.11255	4.5
305.14941	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	305.0652
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03929	1.4
54.14772	0.7
55.01865	1.5
55.05489	3.1
57.07063	1.2
65.03931	1.0
67.01856	1.1
67.05497	4.7
68.99777	4.5
69.03439	1.8
69.07067	7.2
70.18210	2.1
70.18603	1.6
71.04982	1.6
73.22115	0.6
77.03918	0.7
79.05494	4.5
81.03416	6.2
81.07054	14.1
83.04982	1.5
83.08601	1.8
84.50393	1.0
85.02903	0.9
85.06517	2.2
91.05476	4.1
93.07034	8.7
95.04973	4.5
95.08601	12.4
97.06500	1.3
97.10191	1.0
99.04439	1.3
99.08089	0.9
105.07021	5.0
107.08569	7.7
109.02877	9.2
109.06507	2.6
109.10152	8.9
111.00804	6.0
111.04420	1.2
111.08035	0.9
111.11728	0.9
117.07006	0.9
119.08579	5.5
121.02849	0.8
121.06521	1.4
121.10128	7.0
123.04423	15.6
123.08073	1.3
123.11715	5.0
127.03906	100.0
128.04285	0.9
128.31670	0.8
129.06996	0.9
131.08607	1.8
133.02863	4.4
133.10136	4.4
135.08028	2.3
135.11690	5.3
136.07605	0.9
137.02324	0.9
137.05925	2.1
137.09616	1.8
137.13196	2.1
139.03893	22.5
141.06990	0.9
145.10095	1.9
147.04399	6.2
147.11665	2.5
149.02341	2.5
149.09631	1.1
149.13217	3.5
151.03886	44.9
151.11116	0.9
153.01793	2.8
155.02272	0.9
155.03389	9.5
157.06519	1.0
157.10095	1.2
159.04469	0.9
159.11688	1.8
161.06009	0.9
161.09598	1.7
161.13264	1.6
163.11189	1.7
163.14838	1.5
164.07051	1.6
165.05385	1.1
167.03395	0.9
167.10698	0.9
171.04355	1.4
173.05917	1.2
173.13347	1.6
174.07709	0.9
175.03896	14.8
175.07521	1.3
175.14851	1.2
177.05446	3.4
177.12744	0.7
177.16379	1.1
179.03381	42.1
189.05455	1.4
189.08997	0.8
189.16490	0.9
193.04932	1.9
199.03969	1.3
199.14754	0.8
201.05522	2.1
201.16359	1.0
203.03380	15.2
203.06761	0.7
204.03839	0.8
207.17575	0.9
213.05478	3.1
213.16447	1.3
217.04987	1.5
219.06502	1.3
221.04395	0.9
229.19646	0.8
231.06540	1.1
231.17552	1.1
241.04938	2.4
243.09961	0.8
245.04439	1.3
247.06021	1.0
259.06006	3.2
259.24118	0.9
263.05441	0.8
269.04446	1.2
269.12833	1.1
269.22748	2.1
275.05530	1.2
277.07086	4.4
287.05481	27.5
287.13885	2.7
287.23541	4.2
305.06433	45.9
305.24713	16.1
306.06827	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96396	0.4
53.03932	0.7
55.01874	2.5
55.05493	1.3
55.95754	0.5
56.05023	0.6
56.96562	100.0
57.03182	0.5
57.03434	6.9
57.97337	0.7
59.04995	0.9
60.04518	0.7
60.95832	0.8
61.02926	5.7
67.05492	1.1
68.96591	0.7
69.03424	13.3
69.07062	0.7
70.02962	0.5
70.03746	0.9
70.06583	1.6
70.86645	1.1
70.98117	8.7
71.01344	1.5
71.04991	2.6
71.95251	4.7
72.04485	0.5
72.08142	0.8
72.96031	1.6
73.02547	0.7
73.02914	9.3
73.97994	0.4
74.97592	4.6
77.00911	0.7
79.05492	0.9
80.05025	1.1
81.03406	4.3
81.04535	11.2
81.07032	0.7
82.06544	0.5
82.37647	0.5
82.92542	0.4
83.04982	1.5
83.06094	1.1
84.04524	1.1
84.08131	2.1
84.96035	6.4
85.02898	20.5
85.06536	1.5
86.03250	1.2
86.06082	0.6
87.04451	1.8
88.99154	8.4
88.99693	0.7
91.03938	1.7
91.05482	0.7
92.98635	1.8
95.00682	0.5
95.04960	0.6
95.06091	7.4
97.02885	15.4
97.96829	0.5
97.99196	0.9
98.03227	0.6
98.06081	1.1
98.97576	50.9
99.04459	2.6
99.05560	1.0
100.03998	0.8
100.99174	0.7
101.00881	2.0
102.96997	1.8
103.02440	0.6
103.03925	0.9
105.00376	0.5
106.02900	0.8
107.00198	5.1
109.02876	2.2
110.06049	0.6
110.07240	0.4
110.97566	3.3
111.02120	0.5
111.04467	0.4
111.05595	0.6
112.05104	0.8
112.99122	3.0
113.00870	0.6
113.02380	1.2
113.03539	2.9
113.04260	0.5
115.00716	1.4
115.02451	1.2
115.03931	1.9
116.00220	0.7
116.07080	1.8
116.98615	59.7
118.01181	0.5
119.01909	6.8
119.02688	0.7
120.97925	1.1
121.01605	0.8
123.04366	0.9
123.05550	1.0
124.03938	1.7
124.07587	0.8
124.95465	2.8
125.01390	0.6
125.02354	9.4
125.07105	13.9
126.03797	0.7
127.02290	0.7
127.03909	6.5
127.08586	0.6
128.07089	0.7
128.98608	11.3
129.03949	0.6
130.02826	0.5
130.08640	0.6
130.93312	0.4
131.00165	9.8
131.01875	5.4
131.05569	4.3
133.01765	3.8
133.03467	5.3
133.04980	0.9
134.01265	0.6
134.02281	0.6
134.99649	61.4
137.00105	0.5
137.01114	0.4
137.02959	1.6
137.05983	1.0
138.05424	0.6
138.98869	0.5
139.03935	0.6
140.00172	2.1
140.07065	1.0
140.98598	1.7
141.01193	1.2
141.06552	3.4
141.07443	0.4
142.01566	0.7
142.08644	0.9
142.96515	9.6
143.00128	4.0
143.01945	1.6
143.03404	10.6
143.08142	60.5
144.98094	2.6
145.01752	3.3
145.03453	4.5
145.04889	2.4
146.99637	16.6
147.01389	0.8
147.03191	1.1
147.05070	0.8
149.01208	8.3
149.02902	1.4
149.06595	8.5
150.99057	0.9
151.02794	1.1
151.04582	1.1
152.07083	0.8
152.94963	1.2
152.98656	1.1
153.00699	13.7
154.01736	0.7
154.96552	1.1
155.01883	2.0
155.02962	0.7
156.02592	0.7
156.98076	1.0
157.01602	0.5
157.03528	2.1
158.01253	3.9
158.08119	0.6
158.99637	11.3
159.03215	0.7
159.05049	2.3
160.97560	15.1
161.01230	13.7
161.02940	4.9
161.04816	0.9
161.06592	5.5
162.99147	5.0
163.02797	2.2
163.04399	1.3
165.00710	9.0
165.02090	0.9
166.04788	1.2
167.02258	1.7
169.00229	0.5
169.04518	0.9
170.01244	0.5
170.04965	0.6
170.95990	2.9
170.99606	2.4
171.01561	0.7
171.05116	1.0
172.97580	5.0
173.01247	2.9
173.02985	5.7
173.04588	0.9
173.04936	1.0
173.06496	3.2
174.99158	7.3
175.02765	2.1
175.04532	2.0
176.02333	0.7
177.00711	14.7
177.04280	1.8
177.05937	0.8
178.04970	1.9
178.98648	3.1
179.02284	4.3
179.07698	2.1
180.04533	2.1
181.00154	1.4
181.03802	0.7
182.03825	0.6
182.08220	0.9
183.01797	1.1
183.04099	2.5
183.99229	1.1
184.02831	1.1
184.97566	5.7
185.01202	2.0
185.02975	1.8
185.04997	0.6
185.06631	4.5
186.04625	0.7
186.99081	3.6
187.02762	0.7
187.04518	1.3
187.08150	1.0
188.54968	0.6
188.97058	30.6
189.00691	10.2
189.02336	0.4
189.06108	1.2
190.95421	1.4
190.98628	22.4
191.02275	6.7
191.03900	0.8
191.06039	0.6
191.55406	0.7
192.04646	2.9
192.54915	0.6
193.00217	13.9
193.03816	1.0
195.01761	2.0
195.07210	0.7
195.54054	0.7
196.02777	0.7
196.54713	1.3
197.03093	0.8
197.06610	2.7
198.00623	0.5
199.08167	1.6
200.02333	1.7
200.05896	0.5
201.00752	4.9
201.05223	4.0
201.55380	0.5
202.54684	0.7
202.98608	17.1
203.02290	6.9
203.04019	2.3
203.05782	1.1
203.07640	10.3
203.55487	1.0
205.00165	11.0
205.01912	0.8
205.03967	0.5
206.98125	27.3
207.01692	9.3
208.04918	2.6
208.96594	0.9
208.99692	7.8
209.03271	1.5
209.06531	1.1
210.04768	0.5
211.01161	1.8
211.98660	1.3
212.02313	0.7
212.56117	0.6
212.97107	2.0
214.00320	1.2
214.03847	1.0
214.05775	0.5
214.98621	4.7
215.02209	1.0
215.04137	0.8
215.07632	10.3
216.01602	0.6
216.03412	0.7
217.00183	4.8
217.05696	0.6
217.09212	1.6
218.98227	0.7
219.01743	6.8
220.97482	0.9
220.99689	18.3
221.03281	1.9
221.05098	8.7
223.01250	5.9
223.04626	0.6
223.57924	0.7
224.04451	0.6
224.07146	2.9
224.55841	0.9
224.99164	3.0
226.00252	1.5
226.03737	0.7
227.07671	1.4
228.01759	0.8
229.99782	1.1
230.03372	1.0
230.98100	25.5
231.07208	1.1
232.01382	0.5
232.04781	0.6
232.96582	1.4
232.99687	13.6
233.03427	1.7
235.01187	6.4
237.02800	12.5
237.06297	0.6
238.03467	0.7
239.00705	4.1
239.05650	1.5
239.07704	2.0
241.02097	1.0
242.03265	0.9
244.01363	1.0
244.06641	0.6
244.99644	6.5
245.05130	3.8
245.08836	1.8
246.02765	0.5
247.01279	0.8
247.05045	0.7
248.06007	0.5
248.99179	19.6
249.06299	1.1
250.97530	1.6
251.00763	1.9
251.04445	8.1
251.06886	0.5
252.04666	0.6
253.02321	1.1
253.99670	2.8
255.03908	1.0
256.01291	1.1
257.08768	1.3
258.02902	0.7
259.06760	1.2
260.04434	1.0
263.00720	27.2
267.00177	4.3
269.05496	2.2
272.00842	1.6
273.04492	1.8
273.08118	0.5
273.10892	1.1
274.05984	0.9
275.00644	1.0
275.09976	3.3
279.03864	0.7
281.01776	18.7
282.02609	1.2
286.02484	2.4
287.09821	2.2
287.12949	0.8
293.01758	0.9
293.05408	0.9
299.02835	2.8
300.03879	1.1
304.03363	1.3
304.60272	1.8
305.05679	9.2
305.12021	99.1
305.58798	1.4
323.02893	1.4
323.06534	8.4
323.11813	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78611	0.2
53.03931	0.5
54.03458	0.2
55.01859	1.2
55.05501	0.4
56.05038	0.3
56.96561	47.5
57.03434	3.8
57.97344	0.3
58.96157	0.3
59.04984	0.4
60.95850	0.6
61.02920	4.9
65.03899	0.3
67.05495	0.4
68.05032	0.4
68.96597	0.3
69.03063	0.5
69.03426	7.6
69.37343	2.6
70.03741	0.8
70.06590	4.9
70.98112	3.1
71.01334	0.3
71.04984	1.4
71.95251	1.7
72.96043	0.7
73.02910	5.9
73.03291	0.4
74.03239	0.3
74.97586	2.6
75.04475	0.3
77.00907	0.4
79.05508	0.4
80.05032	0.5
81.03423	4.8
81.04533	19.0
81.07035	0.8
82.03776	0.4
82.05287	0.4
82.06573	0.3
83.01370	0.3
83.04982	0.6
83.06094	1.0
84.04031	0.2
84.04507	0.9
84.08144	1.5
84.96034	2.6
85.02900	16.8
85.06528	0.3
86.03212	0.9
86.03691	0.5
86.09693	0.5
87.04475	1.8
88.99151	3.8
91.03961	0.8
91.05491	0.7
92.98653	0.9
93.07043	0.3
95.01946	0.4
95.05096	0.5
95.06081	14.4
96.04543	0.3
96.08128	0.5
97.02881	7.4
97.96814	0.4
97.99200	0.6
98.01295	0.3
98.03216	0.4
98.06057	0.5
98.97571	17.2
99.04440	2.0
99.05578	0.9
100.05244	0.4
100.99170	0.9
101.00890	1.1
101.02396	0.4
101.05984	0.3
102.97020	1.1
103.00579	0.2
103.02448	2.0
103.03968	0.4
104.10773	0.5
105.00353	0.3
105.02100	0.3
107.00185	2.2
107.04947	0.3
109.02865	4.1
110.01347	0.3
110.03215	0.7
110.06047	0.3
110.97561	1.8
111.04474	0.3
111.05596	0.3
112.05121	0.5
112.11243	0.4
112.99158	0.8
113.00903	0.4
113.01763	0.5
114.02616	0.6
114.05558	0.3
115.00735	0.6
115.02440	0.3
115.03925	0.6
115.97848	0.3
116.07072	1.6
116.98613	21.8
117.02029	0.3
117.03994	0.7
117.98872	0.3
118.01122	0.4
119.00159	1.8
119.01901	8.9
119.04974	0.8
120.97977	0.8
121.01653	0.6
121.03485	2.2
122.02330	0.4
123.03194	0.4
123.04464	2.0
123.05436	0.4
124.07565	1.7
124.95513	1.0
124.99188	0.4
125.01355	0.5
125.02357	3.8
125.07104	25.1
125.07858	1.8
126.02507	0.4
126.05514	0.3
127.00719	0.3
127.03904	14.0
128.02348	0.6
128.04265	0.5
128.07098	0.6
128.52541	0.4
128.98611	5.4
129.02205	0.5
129.03096	0.4
129.03972	0.3
130.01927	0.7
130.06306	0.3
130.08643	0.3
131.00185	3.8
131.01886	4.2
133.01764	2.6
133.03537	1.7
134.99644	22.2
135.03232	0.4
135.05074	0.9
136.07626	0.8
137.01248	0.3
137.02934	2.7
137.05971	1.8
138.09203	0.4
138.52895	0.3
138.98981	0.4
139.02841	0.5
139.03896	4.3
139.04910	0.4
140.00230	0.6
140.02327	0.3
140.07132	0.3
140.98653	0.6
141.05536	0.3
141.06580	0.4
142.01279	0.3
142.03510	0.5
142.08626	11.8
142.96523	4.0
142.97533	0.4
143.00180	2.8
143.01955	3.0
143.03436	4.7
143.08118	100.0
144.13860	0.4
144.98050	2.0
145.01762	1.2
145.03477	3.2
145.04910	2.2
146.06094	0.3
146.99640	10.2
147.01341	2.2
147.03200	0.7
147.04457	1.0
148.02014	0.3
148.03946	0.3
148.97679	0.4
149.01224	3.9
149.03044	1.5
149.06662	0.5
150.99068	0.4
151.02786	0.9
151.03854	5.4
153.00693	4.5
153.01851	0.4
154.03725	0.3
155.01949	3.5
155.03418	1.4
155.53079	0.4
156.03700	0.6
156.98091	0.5
157.01700	0.5
157.02269	0.4
157.03464	2.7
158.01227	1.9
158.06030	0.5
158.99651	3.6
159.03305	0.5
159.05109	1.1
160.02158	0.3
160.97574	5.8
161.01297	5.7
161.03020	9.9
161.06595	0.6
162.03540	0.3
162.99139	6.5
163.02782	1.0
163.04492	1.7
164.08257	0.4
165.00793	5.1
165.02509	1.2
165.04185	0.3
165.05519	0.3
166.98723	0.5
167.02139	1.4
167.07002	1.2
169.00252	0.4
169.03551	0.5
170.01379	0.5
170.96130	0.9
170.99698	0.9
171.01624	0.5
171.05153	0.3
172.97701	1.0
173.01335	1.5
173.02933	8.8
173.06952	0.3
173.09354	0.4
174.99138	6.1
175.00604	0.4
175.02802	1.1
175.04520	2.0
175.11932	0.3
176.02303	0.7
177.00720	5.6
177.02113	0.4
177.04373	1.0
177.05956	0.6
177.54434	0.5
178.98631	1.2
179.02016	1.4
179.03491	2.7
179.05992	0.7
181.00163	3.7
182.09352	0.4
183.01778	0.8
183.05223	0.3
184.02805	0.3
184.04628	0.5
184.97603	1.6
185.02930	3.4
185.06693	0.3
185.09236	0.4
186.04680	0.6
186.09665	0.5
186.54909	0.5
186.99263	1.2
187.02963	0.5
187.04366	1.2
188.02415	0.5
188.97060	10.8
189.00815	4.9
189.02547	1.5
189.04202	0.4
189.06111	0.4
190.08342	0.9
190.98647	7.0
191.00493	0.5
191.02364	3.3
191.04080	2.4
192.04579	1.2
192.54871	0.4
193.00200	10.2
193.03934	0.7
195.01799	0.7
195.05389	0.3
195.07149	0.5
196.04707	0.6
197.03149	1.1
197.06808	0.4
198.00829	0.6
198.04642	0.6
198.53189	0.4
198.54945	0.3
199.01295	0.6
199.04980	0.4
200.02399	0.6
200.97092	0.3
201.00775	2.5
201.02534	1.5
201.06075	0.8
202.57541	0.7
202.98654	6.7
203.00436	0.5
203.02303	0.7
203.04077	3.1
203.05798	0.5
203.07738	0.7
205.00185	8.8
205.03880	0.4
205.05612	0.5
206.98112	8.6
207.01862	4.4
207.03590	3.0
207.05313	1.8
207.55345	2.9
207.56966	0.4
208.05310	0.6
208.99686	2.4
209.01537	0.3
209.03424	1.1
211.01382	1.2
211.98828	0.7
212.97166	0.7
213.05719	0.3
213.12541	0.3
214.03859	0.4
214.98642	1.5
215.03889	1.4
215.07834	1.1
216.02005	0.8
216.05655	1.6
216.55913	2.0
216.57631	0.3
217.00204	2.2
217.05846	1.0
217.55612	0.5
219.01738	3.7
219.03532	0.5
220.99669	6.1
221.03282	0.4
221.05074	1.5
221.07043	0.3
223.01222	14.1
223.06645	0.4
223.56837	1.0
224.03969	0.5
224.99332	0.8
225.02846	0.6
227.04146	0.6
227.56647	0.5
228.01793	1.4
228.06865	1.0
229.99736	0.3
230.03386	0.4
230.05479	0.5
230.98105	9.8
231.01736	0.6
231.07027	0.3
232.07149	0.3
232.57237	0.3
232.99709	3.4
233.03255	0.6
233.05125	2.9
233.06940	0.3
234.97600	0.4
235.01189	2.7
237.02773	3.8
238.03807	0.4
239.00844	1.0
241.02484	1.8
241.05057	0.4
243.03520	2.7
244.01573	0.4
244.99623	3.0
245.05074	7.2
246.03000	0.9
247.01324	0.5
248.99179	5.4
249.03064	0.5
251.00856	0.4
251.04570	1.1
253.07793	0.4
253.99928	1.2
255.03979	0.5
256.01392	0.6
256.06924	0.3
258.02985	0.6
260.04678	0.6
260.12692	0.3
263.00726	10.9
263.06451	1.4
267.00363	0.9
269.05505	2.6
272.00992	0.4
273.04681	1.0
274.97537	0.3
275.00928	0.7
275.06143	0.8
277.07318	0.6
279.03925	0.3
281.01755	6.2
281.08075	1.2
281.58032	0.4
286.02298	1.7
287.02621	1.5
287.05988	2.1
287.13971	1.0
291.03973	0.4
293.05606	0.3
295.58994	1.0
296.08493	1.6
299.03043	1.0
301.59314	0.4
304.03500	0.6
304.59232	2.2
305.02097	3.0
305.06754	5.3
305.10596	0.6
305.14371	12.3
305.59177	0.5
309.05118	0.3
321.10706	0.4
323.03024	0.5
323.06149	1.3
323.09970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
61.02910	0.5
69.03430	1.3
70.78904	0.8
71.04984	0.2
71.09664	0.2
73.02921	0.3
79.05493	0.3
79.82117	0.2
81.03410	0.6
81.07054	0.6
85.02895	5.3
87.04454	0.2
96.08134	2.6
97.02869	1.1
99.04417	0.3
100.07611	0.3
109.02888	0.3
124.07587	10.3
127.03895	0.7
142.08620	100.0
143.08960	1.6
145.04916	0.4
184.09695	0.4
220.36877	0.2
223.40445	0.2
234.36775	0.2
238.11090	0.2
260.34546	0.2
304.13864	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01862	1.6
57.03428	3.4
60.04531	6.5
61.02913	3.8
69.03426	11.1
69.07059	36.0
71.01331	1.0
71.04967	1.6
71.08624	19.6
71.59204	1.6
73.02882	1.5
81.03408	7.8
83.08604	1.5
84.04496	2.8
85.02898	60.7
86.02427	4.6
96.08118	4.1
97.02882	36.1
97.06528	5.0
99.04457	2.8
103.03938	5.0
109.02889	12.3
114.09154	17.0
124.07629	1.5
127.03907	15.9
138.09145	3.4
142.08621	100.0
145.04974	7.5
149.02431	1.2
149.13174	1.0
156.10159	2.7
168.07339	1.2
184.09674	70.5
198.11159	1.2
208.09677	15.6
217.00014	1.2
220.09734	3.3
238.10793	3.7
250.10744	8.6
251.48131	1.2
303.88184	1.2
304.13895	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53378	0.1
55.01859	0.3
55.05526	0.3
56.96563	1.3
57.03438	1.1
61.02921	1.3
64.35501	0.1
65.17900	0.2
69.03426	2.3
69.07087	0.2
70.03316	0.6
70.03730	0.4
71.01342	0.2
71.04974	0.4
72.08150	0.3
73.02901	0.9
75.04463	0.2
79.05490	0.4
81.03423	1.2
81.04523	0.6
81.07057	0.6
82.06549	0.2
83.06104	1.4
84.04505	0.2
84.06449	0.3
84.87472	0.2
85.02901	6.2
85.69538	0.2
86.33495	0.2
87.04465	0.4
88.99175	0.1
95.05005	0.2
95.06081	0.6
96.04460	0.3
96.08127	2.5
97.02888	2.0
98.97570	1.1
99.04433	0.3
100.03952	0.3
100.07613	0.2
101.00844	0.2
101.02390	0.3
106.02878	0.2
109.02876	1.1
110.97552	0.2
116.07115	0.3
116.98618	1.0
119.01892	0.4
124.07585	11.1
125.07112	0.9
127.03916	1.3
128.02342	0.2
128.04294	0.2
128.98625	0.3
131.00121	0.3
133.03452	0.2
134.99634	0.4
137.02856	0.2
137.05873	0.2
142.08626	100.0
143.03448	0.2
143.08139	2.9
143.09024	0.5
145.04939	0.6
146.99673	0.2
154.49248	0.2
158.99690	0.3
161.01097	0.2
161.02950	0.3
163.02658	0.2
165.00703	0.2
172.05225	0.2
173.02908	0.2
174.99150	0.1
177.00670	0.3
178.04980	0.2
178.55038	0.2
183.01765	0.2
184.09778	0.3
185.09175	0.3
188.97061	0.4
189.00697	0.3
190.98630	0.3
198.02881	0.2
200.10297	0.3
201.10738	0.2
202.10849	0.3
206.98181	0.2
207.03412	0.3
207.05223	0.4
213.82649	0.2
216.05685	0.4
219.01755	0.2
221.05109	0.2
230.98158	0.2
237.02846	0.4
244.11829	0.2
245.05040	0.3
263.00589	0.2
269.05374	0.2
281.01620	0.2
286.12949	0.9
296.08487	0.2
303.60324	0.3
304.08603	0.9
304.13895	10.1
305.06406	0.4
322.10526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05507	9.1
57.07066	3.7
67.05507	21.7
67.28638	1.3
69.07069	9.7
70.04916	5.9
70.81632	1.0
73.06525	1.3
79.05495	8.3
81.07053	23.1
83.08615	7.6
85.06515	1.4
88.43452	1.2
91.05483	6.6
93.07040	22.3
95.04944	2.5
95.08605	100.0
97.06499	2.5
97.10189	5.6
105.07021	15.8
107.08588	38.3
109.06526	1.4
109.10149	33.5
111.08110	1.1
111.11672	2.0
113.05972	1.8
119.08574	22.7
121.10141	26.9
121.27635	1.1
123.08086	2.4
123.11661	8.8
125.05981	4.1
131.08553	4.9
133.10124	24.8
135.11694	33.6
137.13222	3.2
139.07552	2.2
141.09123	2.6
145.10121	9.9
147.11684	14.1
149.13234	10.5
153.09163	1.4
153.12779	1.4
159.11743	8.7
161.13245	16.5
163.11224	1.5
163.14847	11.8
171.11681	1.8
173.13240	9.5
175.11226	1.1
175.14822	7.7
177.16438	1.2
179.10733	1.4
181.12242	3.1
185.13191	1.4
187.14850	8.7
189.12709	1.8
189.16338	5.2
193.12242	2.7
201.12674	1.2
201.16423	7.3
203.17955	22.5
207.13751	5.6
215.17982	2.4
219.13849	2.0
221.15298	1.8
225.16576	1.0
229.15685	1.2
233.15469	5.8
243.21040	4.8
247.16934	3.8
257.22614	19.4
267.21161	3.1
285.22070	11.2
303.05020	4.6
303.23166	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01878	1.4
57.03430	3.1
58.02961	1.5
58.06587	1.3
60.04513	5.9
61.02912	3.8
69.03429	11.2
69.07063	35.1
71.04977	2.3
71.08626	18.4
71.59274	1.9
73.02908	2.5
81.03419	6.9
83.01369	1.1
84.04502	3.4
85.02898	58.2
86.02439	4.1
96.08125	3.0
97.02883	35.1
97.03511	1.9
97.06522	4.5
99.04440	2.5
103.03942	4.7
109.02872	10.1
114.09159	18.6
116.21574	1.0
123.04415	1.7
126.09110	1.0
127.03891	15.0
134.56863	0.9
138.09138	3.7
139.03926	2.5
142.08623	100.0
145.04955	8.4
153.01837	1.8
156.10159	1.4
180.10201	1.6
184.09679	63.7
185.09996	1.5
199.96251	0.8
208.09665	14.0
220.09740	1.1
231.06567	1.5
238.10698	2.9
239.60452	1.0
250.10739	8.9
259.05960	1.5
268.11829	1.2
277.73434	0.8
286.12814	2.1
304.13916	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Carlactone
Peak:m/z	Relative Intensity
55.01876	3.7
55.05510	20.3
56.96559	7.8
57.07066	2.4
58.06584	2.7
59.04999	3.0
67.05488	16.6
68.99784	3.1
69.03419	4.8
69.07062	20.9
70.32844	9.5
71.04985	4.1
79.05487	21.0
81.03427	4.5
81.07056	28.2
82.78210	2.5
83.04974	12.4
83.08624	17.9
85.06528	4.5
85.39430	2.6
87.63956	2.5
91.05482	17.4
93.07032	37.2
95.04977	13.9
95.08592	29.4
97.02860	5.7
97.06538	5.4
98.97585	9.6
99.04462	4.5
103.05494	4.4
105.07027	33.1
107.04940	11.7
107.08584	47.7
109.06532	8.5
109.10159	13.5
111.04492	3.0
111.08067	5.3
115.05467	3.5
116.98621	10.2
117.07017	6.5
119.04913	3.8
119.08582	39.3
121.06520	4.9
121.10172	22.3
122.03625	5.3
123.04435	19.5
123.08042	4.2
123.11689	9.3
125.05986	6.1
127.07575	3.4
128.06233	3.1
130.07750	3.4
131.00183	4.8
131.04901	4.5
131.08563	11.7
133.06464	4.5
133.10132	39.9
134.09679	6.4
134.99669	6.5
135.08058	4.7
135.11679	30.3
137.02354	4.1
137.05974	100.0
137.09590	4.0
138.06337	6.7
139.03871	3.9
142.08655	11.4
143.07056	7.4
143.08534	5.8
145.10118	22.7
147.08052	6.4
147.11665	38.9
149.01205	4.2
149.06026	3.2
149.09651	5.5
149.13280	7.1
151.07558	8.0
153.01852	6.8
153.05463	75.8
153.06793	4.4
154.05843	2.9
155.07050	3.6
157.10107	7.6
158.99687	5.1
159.11665	14.4
161.05962	3.8
161.09615	7.5
161.13301	14.6
162.47192	2.7
163.07542	6.3
163.11200	2.9
165.06940	5.9
165.09117	3.0
167.07019	8.8
171.11659	8.1
173.01160	3.8
173.13274	7.2
175.11183	3.5
175.14803	28.8
177.00752	5.5
183.08109	7.1
185.13239	18.5
186.14018	11.5
187.14792	6.4
189.12730	7.2
189.16423	2.9
191.02219	5.0
193.04863	3.4
197.13229	2.8
199.14816	2.9
201.12804	4.6
203.14299	21.8
204.15117	11.3
211.07584	8.2
212.08286	3.9
213.05569	3.8
219.01915	3.1
219.11357	2.7
229.05028	5.6
229.19601	8.1
231.85837	2.8
239.06906	3.3
243.10245	5.8
244.99634	4.6
257.04224	3.8
257.18961	5.0
261.14795	4.4
271.09656	9.0
275.19919	4.6
285.18436	6.4
285.21744	2.7
291.63608	2.8
303.04980	60.0
303.08313	5.7
303.12045	11.0
303.19684	72.6
303.23199	12.9
304.05203	2.9
304.19891	5.3
314.74542	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.7
55.05503	22.1
56.96570	2.1
57.03428	7.5
57.07059	3.4
57.48685	2.0
59.04998	3.1
65.03961	2.6
65.83004	1.8
67.05500	29.4
69.03434	6.0
69.07066	34.8
71.04987	7.7
71.60932	3.0
73.02880	2.0
79.05485	18.9
81.03392	3.0
81.07053	94.8
81.57950	1.8
81.73840	2.0
83.04987	9.1
83.08610	13.2
84.04519	3.0
85.02899	5.8
85.06541	9.3
91.05477	33.4
93.07051	24.2
94.04155	2.4
95.04971	11.1
95.08607	36.5
97.06544	10.0
97.34430	1.8
98.97563	3.0
99.04454	4.6
99.08093	5.1
100.11250	7.2
103.05476	5.4
105.07024	46.6
107.04948	8.5
107.08573	24.3
109.02921	4.5
109.06505	10.5
109.10167	14.6
111.11733	3.8
113.06019	3.2
116.98616	2.6
117.06999	3.8
119.04929	6.6
119.08573	37.0
119.95106	1.7
121.06468	11.8
121.10132	27.0
122.03641	5.9
123.04467	5.4
123.08064	7.1
123.11699	36.6
125.09632	3.3
127.07568	3.0
129.06999	5.4
131.04942	10.6
131.08586	8.9
133.06451	2.2
133.10130	14.0
134.03612	1.9
135.08032	3.8
135.11714	7.8
137.02356	2.0
137.05971	100.0
137.09517	3.0
137.13261	4.4
138.06361	3.6
141.09055	3.5
142.07666	2.1
142.08656	3.8
143.08545	2.8
145.10143	9.5
147.04446	3.9
147.11676	86.4
149.06013	9.5
149.09605	2.9
149.13301	4.2
151.07518	15.7
153.01862	4.8
153.05481	8.7
153.06999	8.5
155.08533	6.2
157.10141	7.0
159.11708	7.8
161.01227	7.1
161.09602	3.0
161.13277	3.9
163.07547	6.5
165.01826	2.3
165.05583	3.9
165.06985	21.1
165.09109	2.5
165.12733	43.6
167.07048	3.2
168.05716	5.8
173.13304	2.7
175.11188	5.9
175.14842	4.6
177.00635	2.9
179.06984	3.2
181.06467	2.9
181.08571	3.0
182.07277	3.7
182.15350	3.2
183.08015	19.8
183.13847	5.7
185.05936	4.9
187.14825	3.9
189.16437	2.9
193.06526	2.2
193.08479	2.4
193.12219	5.0
196.05168	5.1
197.05988	4.5
201.05344	2.9
201.16357	3.4
203.14244	3.4
207.04355	4.3
210.06795	3.5
211.07507	19.4
212.08086	3.7
213.05524	3.7
215.10680	4.9
221.06061	2.3
225.09128	5.9
228.07649	2.8
229.05060	4.5
229.14268	11.5
239.07074	7.3
243.10226	19.0
245.07999	2.3
257.08020	2.8
267.15918	57.8
271.09650	30.0
272.10254	4.7
285.11612	3.7
285.16910	65.4
285.22229	5.7
286.17355	2.8
303.04926	47.9
303.08096	6.2
303.12079	26.8
303.19650	7.1
303.23227	26.6
303.26462	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47145	1.4
53.03943	2.4
54.19160	1.5
55.01862	5.4
55.05508	13.4
56.96556	4.3
57.03426	7.4
57.07082	3.3
65.03942	4.1
67.05161	2.6
67.05502	32.7
68.65027	1.6
69.03432	6.6
69.07060	20.9
69.49709	10.1
69.50124	3.4
71.04979	9.2
73.02921	3.0
79.05481	23.5
81.03415	3.9
81.07053	85.1
83.04985	9.2
83.08624	9.6
85.02903	3.4
85.06547	6.3
91.05476	32.3
93.07041	24.6
95.04961	9.1
95.08598	27.8
95.09153	2.3
97.02911	2.7
97.06512	8.5
97.10174	3.1
98.97560	3.7
99.04458	2.9
99.08096	5.3
101.06026	1.5
103.05468	6.8
105.07021	44.9
107.04947	4.7
107.08591	22.1
109.02850	2.9
109.06554	7.4
109.10132	10.6
111.04455	2.9
111.08104	2.6
115.05430	2.0
116.98611	1.6
117.07031	3.8
117.31215	1.6
119.04920	3.8
119.08575	34.7
121.06512	5.5
121.10131	28.6
122.03666	5.0
123.04424	100.0
123.08058	3.9
123.11707	30.7
124.04783	4.5
125.09594	2.8
127.03903	2.1
127.07582	3.0
129.07042	4.6
131.04898	7.3
131.08569	5.0
133.06493	2.2
133.10136	13.2
135.04414	2.1
135.08031	4.3
135.11687	6.7
137.02321	1.8
137.05968	79.1
137.09621	4.7
137.13239	3.0
138.03110	13.4
138.06308	3.5
138.09076	1.7
139.03940	5.6
141.06969	2.8
145.06476	3.0
145.10098	8.7
147.04407	3.5
147.11685	68.8
148.12053	2.0
149.02345	2.7
149.06009	5.1
149.09631	3.8
149.13234	3.2
151.03944	4.9
151.07532	11.2
152.04283	2.6
153.01810	4.6
153.05467	74.2
153.06900	4.7
154.05795	4.9
155.08562	6.3
157.10150	6.6
159.11658	5.8
161.09651	1.9
161.13217	4.2
163.07573	6.8
163.11241	2.4
164.07031	2.7
165.01744	2.0
165.05647	3.2
165.07011	13.1
165.09070	2.0
165.12750	37.0
166.47165	1.4
167.07027	3.8
168.05740	4.5
169.06491	2.8
171.11716	2.2
173.13188	2.4
175.07484	2.3
175.11208	4.9
175.14896	2.6
177.00693	1.7
177.05591	2.0
177.12743	1.8
181.06453	4.1
181.08548	1.6
183.08072	15.8
183.13823	6.3
183.66251	1.7
184.09837	1.9
185.05992	4.2
185.13306	1.9
187.03853	1.5
187.07529	2.3
187.14821	2.7
189.05408	2.4
191.07159	1.9
193.06506	2.8
193.12277	5.2
193.15872	1.7
196.05190	4.7
197.05965	4.5
199.14844	2.5
201.05414	2.5
201.09180	1.7
201.16391	1.9
207.04265	3.2
209.06032	2.2
210.06862	1.9
211.07516	15.5
211.13168	2.3
211.14966	1.6
212.08153	2.7
213.05423	3.4
214.05875	4.8
215.18118	1.7
217.04799	1.7
221.05971	3.4
225.05347	1.9
225.09085	2.1
227.07008	2.0
228.04256	3.3
229.04994	4.8
229.14221	10.2
237.12463	5.8
239.07094	4.3
241.05037	3.2
242.05374	5.5
243.06468	4.3
243.10239	12.6
243.82117	1.5
245.04228	2.8
257.04431	2.2
257.22705	2.0
259.10712	2.3
260.06348	8.1
267.15921	40.1
267.20944	2.6
268.16330	1.8
270.04944	4.9
271.05713	2.7
271.06525	2.9
271.09662	22.7
272.07010	2.2
272.10443	3.7
273.03870	6.8
275.09131	29.6
276.09659	2.5
285.04077	2.1
285.07693	2.1
285.16919	57.6
285.22141	4.9
286.17307	1.8
288.06021	15.1
288.09039	2.5
303.04971	32.7
303.08438	92.5
303.12131	15.3
303.19556	4.7
303.23099	26.3
304.05389	2.4
304.08746	5.9
304.12018	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
52.89487	0.3
53.03946	0.5
53.51953	0.3
54.06674	0.3
55.05505	0.4
55.86980	0.3
56.96545	0.3
59.71666	0.3
65.03944	0.6
67.01858	0.8
67.05486	0.9
68.99776	0.9
69.03432	0.7
69.07071	1.5
70.54929	0.5
70.55332	0.6
79.05480	1.4
81.07041	1.1
82.06564	0.7
84.08086	0.4
85.02878	0.5
89.03931	0.3
91.05466	0.6
92.04983	0.9
93.07011	0.5
94.06551	1.6
95.04943	1.1
95.08589	0.3
96.04504	0.4
97.02915	0.5
105.07028	0.6
106.06548	1.3
107.04929	0.7
107.07364	0.5
107.08572	0.5
109.06533	0.7
109.10142	0.4
110.06037	6.1
111.00888	0.3
112.07594	0.6
116.04970	0.9
116.98626	0.3
119.08596	0.5
120.04459	10.3
121.05252	0.3
121.06497	0.4
121.10144	0.3
122.06030	3.3
123.04415	0.8
124.07581	4.3
128.00688	0.3
131.04897	0.5
133.02843	0.9
133.05238	0.3
134.06009	3.6
135.04396	0.8
135.08003	0.3
137.05957	3.0
138.05524	0.5
140.07056	6.5
141.07841	5.6
142.08633	18.1
144.04417	0.6
145.10191	0.4
147.11670	0.3
149.05951	0.6
151.03912	2.6
151.07501	0.5
153.00699	0.5
153.01830	5.8
154.08646	2.0
162.05498	100.0
163.05983	2.2
163.07414	0.3
164.07034	1.0
165.07080	0.7
167.10202	0.3
171.02905	0.9
176.56293	0.3
177.01823	0.7
183.08148	0.5
195.02756	0.3
200.41283	0.3
203.03369	1.2
216.10155	1.1
217.13237	0.4
229.04996	1.5
230.08157	0.9
239.12099	0.3
240.10199	0.3
243.11223	1.1
244.09651	1.0
257.04337	1.8
258.11264	2.9
261.12341	7.0
268.09561	0.4
271.09628	0.4
279.13391	4.0
285.03983	0.8
285.12375	2.4
286.10703	3.3
287.11099	0.3
303.04990	69.3
303.13321	16.5
304.05313	5.3
304.13702	0.7
320.80286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1336
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
53.03920	0.2
55.05484	0.2
56.96553	0.2
57.03391	0.2
65.03925	0.7
67.05476	0.6
68.04987	0.2
68.99757	0.5
69.03396	0.3
69.07058	1.7
70.06548	0.5
71.04948	0.3
71.06915	0.2
71.59340	0.2
76.15543	0.1
79.05473	1.4
80.05020	0.2
81.03423	0.4
81.07024	0.7
82.06551	0.6
83.04939	0.3
85.02876	0.3
85.06512	0.4
89.03880	0.6
89.49207	0.2
91.05471	0.9
92.04987	0.7
93.05791	0.2
93.06998	0.4
94.06548	1.6
95.04934	0.6
96.04444	0.4
96.08101	0.5
97.05213	0.2
97.06487	0.4
98.06013	0.6
98.97592	0.2
100.47321	0.2
103.74451	0.1
105.06963	0.3
106.06543	1.7
107.04932	0.8
107.07342	0.8
107.08597	0.2
108.08077	0.3
109.05235	0.2
109.06497	0.5
110.05286	0.3
110.06030	5.6
111.06764	0.2
111.08012	0.2
112.07605	0.9
116.04973	0.8
116.98599	0.2
117.03316	0.2
117.05753	0.4
118.06450	0.2
119.04910	0.2
119.08558	0.2
120.04448	10.2
121.05245	0.3
122.06014	3.7
123.04385	0.5
124.07567	4.2
129.09094	0.5
134.06003	3.9
135.04373	0.5
136.07549	0.5
137.05957	1.1
138.05516	0.5
140.07039	7.2
141.05421	0.2
141.07840	5.9
142.08614	16.4
143.08838	0.3
144.04420	1.1
146.06049	0.2
147.04352	0.2
151.07426	0.2
153.05554	0.2
153.06993	0.2
154.08611	1.7
157.04945	0.2
160.07542	0.2
162.05478	100.0
163.03844	0.3
163.05925	2.1
164.07022	1.3
165.05469	0.2
167.07092	0.2
176.03418	0.2
177.00685	0.2
183.06459	0.2
188.10564	0.2
193.05019	0.2
196.09897	0.3
198.09073	0.4
201.05597	0.2
202.06308	0.2
207.68648	0.2
209.39430	0.2
216.06586	0.4
216.10178	1.7
217.13321	0.8
229.04974	0.2
230.07991	0.9
240.10176	0.2
242.09384	0.2
242.73050	0.2
243.11313	1.3
244.09630	1.3
253.08766	0.2
255.06590	0.2
258.00784	0.2
258.11200	3.1
261.12320	6.1
267.11313	0.2
268.09726	0.6
270.08853	0.3
271.09647	0.3
273.07602	0.3
273.12201	0.2
275.09119	0.2
279.13358	3.7
279.16156	0.3
283.09329	0.2
285.07855	0.2
285.12357	3.1
286.10657	3.3
303.05054	1.3
303.13348	18.2
304.13660	0.3
321.14459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17497	0.5
54.81879	0.5
55.01864	0.9
55.05500	0.6
56.96560	1.0
57.03422	0.5
57.69460	0.4
60.34320	0.5
67.05485	0.5
69.03410	1.7
69.07085	0.7
70.06561	0.6
71.60974	0.7
73.02916	0.5
79.05473	1.7
79.30882	0.5
81.03419	0.8
81.07052	0.5
83.04991	0.7
84.08145	1.1
85.02905	2.4
85.06507	0.6
86.09705	0.5
91.05468	1.0
94.04181	2.3
94.06564	1.2
95.04959	1.6
97.02866	1.4
97.06527	0.5
98.97569	0.6
99.04435	0.7
107.04945	2.1
107.99403	0.4
109.02874	0.9
109.06555	0.6
110.06070	0.7
116.98563	0.6
120.08127	0.6
121.06492	0.8
122.03643	6.6
122.06010	1.4
123.04472	0.7
123.07962	0.5
124.07555	0.5
127.03897	0.6
131.04942	0.7
134.99617	0.7
136.07549	1.1
137.05969	100.0
138.06306	2.1
140.07054	1.0
141.05429	0.7
141.07434	0.6
141.09073	0.7
142.08611	1.3
147.04387	1.1
148.07576	1.2
150.05458	0.5
151.03865	1.2
151.07536	0.8
153.05453	1.1
153.07007	1.4
162.05530	1.5
165.07014	0.9
167.07103	2.5
167.08313	0.5
169.06404	0.6
171.09186	0.7
172.06329	0.6
177.00635	0.9
181.06413	1.0
182.09659	0.7
183.08060	0.5
184.11241	1.2
194.09660	0.9
195.09207	1.5
196.09920	5.9
197.05917	0.8
197.10699	1.9
198.25282	0.5
199.08786	0.8
206.08388	11.7
207.08553	0.8
209.07190	0.8
209.10619	1.1
210.11465	1.2
211.09137	0.7
211.12309	6.3
213.10228	1.0
220.09956	2.1
221.10695	4.2
223.08688	4.4
224.07886	0.5
224.09500	5.4
225.09956	0.9
226.11011	0.8
227.08144	2.1
227.11661	1.1
229.13383	0.9
237.02846	0.8
237.10088	2.5
238.10934	4.8
239.08063	1.0
239.11766	13.8
239.14130	1.0
241.09657	1.6
252.08948	1.2
253.08524	0.5
254.10501	0.7
257.12793	4.4
267.11273	25.2
268.11844	0.7
272.11609	2.6
273.11603	0.6
275.13919	1.0
281.48129	0.5
285.12332	32.2
286.12613	1.0
303.05017	1.1
303.13766	46.5
304.13959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.5
55.05486	0.5
56.05011	0.9
56.96564	3.4
57.03431	3.8
58.94979	0.5
61.02922	4.5
64.47304	0.5
69.03426	5.9
70.03731	0.5
70.43809	1.8
71.01324	0.5
71.04981	4.2
72.58379	0.5
73.02560	0.6
73.02911	7.8
80.05003	0.7
81.03423	3.6
83.06099	26.9
84.04463	1.1
84.05791	1.8
84.06409	11.1
84.08102	0.8
85.02427	0.9
85.02898	12.0
86.03219	1.2
86.03694	0.7
87.04439	1.8
91.03938	0.6
95.06065	2.5
96.06409	0.6
97.02338	0.7
97.02879	5.6
98.01257	0.5
98.06000	2.4
98.06563	0.7
98.97573	6.0
99.04454	3.1
100.99119	0.6
101.00809	0.9
102.05494	1.6
103.02444	1.1
109.02829	2.1
109.07587	0.6
110.97549	1.1
116.07052	1.6
116.98632	3.4
119.01885	3.6
121.03345	0.7
121.07646	0.6
124.07549	2.1
124.08607	0.5
125.07054	0.6
126.07423	1.2
127.03932	3.3
128.02277	1.7
128.98573	1.6
131.00137	1.7
131.01840	1.8
133.01712	0.6
133.03442	1.6
134.03484	0.5
134.99666	1.3
137.07030	1.1
138.07443	0.9
139.04948	1.0
140.02356	0.9
140.03351	1.0
140.07031	0.6
140.08109	1.2
141.05522	1.8
141.06575	1.2
141.08470	1.1
142.08624	19.5
144.99779	0.6
145.01695	0.8
145.03450	1.0
145.04916	2.0
146.99594	1.5
147.03088	0.8
149.01172	1.9
149.02850	1.1
149.07042	1.6
150.07454	3.0
152.08215	1.1
153.06621	0.7
153.08525	1.1
154.03790	1.1
154.06883	1.4
155.02814	0.9
156.03607	1.0
157.03452	0.9
158.99632	1.5
159.03300	0.6
160.97585	0.5
161.01166	1.0
161.05463	0.9
163.02730	1.5
163.04266	0.6
167.02039	0.6
167.08151	0.8
168.08519	2.8
169.04378	0.7
173.02893	1.0
175.04517	0.6
177.00623	2.0
178.04901	4.4
181.03877	0.6
182.09222	0.9
183.02313	0.9
183.04727	0.6
183.09467	2.4
184.04950	0.8
184.55162	0.6
185.09113	0.5
186.09608	0.5
188.09116	0.8
189.00681	0.9
189.06026	0.9
190.05775	0.6
191.02213	1.0
191.03856	1.3
193.03648	0.6
193.05360	1.2
194.09268	1.0
195.09602	4.2
199.00964	0.6
199.06210	0.7
200.10312	8.1
201.10632	15.7
203.03917	0.9
204.02884	1.0
206.57220	0.7
207.01682	0.9
207.05128	1.0
207.09525	0.6
213.03447	3.6
213.05200	1.4
213.10550	1.3
215.07571	1.1
216.05600	0.6
217.01976	0.8
217.05345	0.6
218.08090	0.7
219.01715	1.8
221.05026	0.8
222.03763	1.9
222.05670	1.0
222.07404	3.3
225.10411	1.5
231.03674	0.7
235.06596	0.7
237.02704	1.7
237.06215	1.1
239.12137	1.2
242.11406	1.0
242.99817	0.9
243.11668	4.0
250.07010	0.7
254.11163	0.6
255.11649	4.2
267.11658	3.8
280.55231	0.6
281.05206	0.6
285.12692	18.2
303.08109	3.8
303.10501	7.0
303.13672	100.0
303.60281	1.6
304.08279	1.0
304.13895	1.5
306.10736	0.7
311.06302	0.9
321.10220	2.1
322.10504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01860	0.5
55.05493	0.5
56.96542	0.2
57.03407	0.2
57.07068	0.1
61.38192	0.1
65.03941	0.6
67.01859	0.2
67.05496	1.4
68.99780	1.7
69.03420	0.7
69.07067	0.6
71.04984	0.6
71.61317	0.2
79.05484	0.7
81.03409	0.8
81.07053	2.1
83.04962	0.3
83.08611	0.2
85.02881	0.5
85.06540	0.3
87.04441	0.3
91.05468	1.1
92.05018	0.2
93.03400	0.5
93.07041	1.4
94.06572	0.1
95.01322	0.1
95.04951	1.3
95.08598	1.7
95.58217	0.1
97.02866	0.3
97.06496	0.3
98.97572	0.2
99.04493	0.1
99.08068	0.2
103.05434	0.3
105.03364	0.2
105.07025	1.2
107.04947	0.6
107.08582	0.9
109.02866	1.0
109.06489	0.4
109.10141	1.1
110.03648	0.1
111.00801	1.8
111.04432	0.3
111.08097	0.3
115.03925	0.2
115.05407	0.1
117.07011	0.6
119.04958	0.3
119.08569	1.1
120.04475	0.1
121.02855	2.7
121.06477	0.4
121.10139	1.0
122.03625	0.3
122.05985	0.3
123.00787	0.1
123.04412	0.9
123.11701	0.5
124.07542	0.2
125.09596	0.3
127.03930	0.6
127.11169	0.1
129.06981	0.3
131.04907	0.6
131.08557	0.4
133.02811	0.2
133.06444	0.2
133.10121	0.7
135.04428	0.5
135.08051	0.3
135.11667	0.5
137.02328	6.3
137.03374	0.4
137.04988	0.2
137.05959	3.6
137.09564	0.2
138.05482	0.3
138.09155	0.3
139.03873	0.2
140.07048	0.2
142.07675	0.1
143.04906	0.3
145.02834	0.1
145.06500	0.8
145.10120	0.4
147.04385	0.3
147.11658	0.7
149.02306	0.6
149.05904	0.2
149.13216	0.3
151.03888	0.4
151.07547	0.3
151.11147	0.2
153.01813	9.2
155.04872	0.9
155.08536	0.1
155.11786	0.2
157.06429	0.3
157.10075	0.3
159.04451	0.2
159.11691	0.4
161.05959	0.8
161.13223	0.4
163.03880	1.4
163.07529	0.3
163.11186	0.2
164.07068	0.2
165.01823	3.6
165.07019	0.3
166.02576	0.5
166.04929	0.5
167.03374	0.3
167.07014	0.2
168.05672	0.1
169.01306	0.3
171.02858	0.3
171.11661	0.2
173.05925	1.1
173.07031	0.1
173.13232	0.3
175.11165	0.1
175.14761	0.1
177.05470	0.4
179.03394	0.2
179.10779	0.1
181.06494	0.1
183.02863	1.4
183.04437	0.8
183.08054	0.5
184.11169	0.2
185.05942	0.1
186.12807	0.2
187.03862	0.9
187.14784	0.2
189.10217	0.1
189.16403	0.1
191.03392	0.2
195.02872	0.4
196.05089	0.2
197.08327	0.2
200.09393	0.2
201.05440	4.0
201.13887	0.7
203.17934	0.3
205.04976	0.5
207.02846	0.3
211.03865	0.3
211.07509	0.6
212.10735	0.6
213.05441	0.3
213.10234	0.1
214.12415	0.2
215.03419	0.2
219.06534	0.5
221.18909	0.1
228.04150	0.8
228.08832	0.2
229.04941	8.6
229.09720	0.3
229.13315	3.0
230.05298	0.4
230.11781	0.2
231.17433	0.2
232.03667	0.2
233.04430	0.2
239.03391	0.3
239.06914	0.2
239.11813	0.1
240.10170	0.2
243.10112	0.3
246.05302	0.2
247.05963	1.4
257.04449	4.8
257.12827	9.3
258.05005	0.1
258.11078	0.2
259.14413	0.4
261.04025	0.2
267.19492	0.3
270.05438	0.1
271.06226	0.1
271.09598	0.5
272.11542	0.3
274.04773	1.1
274.09555	0.2
275.05447	0.4
285.03931	2.6
285.07391	0.2
285.12344	1.5
285.22195	0.3
286.04605	0.1
303.04959	100.0
303.12946	4.8
303.22940	2.0
304.05286	4.5
304.11285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.00322	0.1
55.01861	0.3
65.03943	0.5
67.01848	0.3
67.05490	0.3
68.99427	0.2
68.99786	2.0
69.03418	0.2
70.54170	0.1
70.54517	0.3
77.03898	0.1
79.05492	0.1
81.03403	0.8
81.07033	0.3
85.06483	0.1
85.07771	0.1
91.05466	0.3
93.03391	0.6
93.07050	0.1
95.04973	0.8
95.08582	0.2
97.02845	0.1
100.10631	0.1
103.05445	0.2
105.03349	0.2
105.07014	0.3
107.04935	0.3
107.08591	0.2
109.02877	0.8
109.10155	0.2
111.00803	1.7
111.04409	0.1
115.05405	0.1
117.06977	0.2
119.04958	0.2
119.08552	0.2
121.02847	2.5
121.06503	0.4
121.10124	0.1
123.04408	0.6
126.03075	0.1
127.03905	0.6
129.06990	0.2
131.04909	0.4
133.02776	0.1
133.06458	0.2
133.10092	0.1
135.04439	0.5
137.02336	6.8
137.03397	0.4
137.05939	0.6
138.02672	0.1
145.02780	0.2
145.06477	0.7
147.11633	0.3
149.02330	0.8
149.06012	0.4
153.01813	9.2
154.02182	0.2
155.04895	0.8
155.05975	0.1
157.06429	0.1
159.04375	0.2
161.05965	0.8
162.80588	0.1
163.03896	1.3
164.04375	0.1
165.01811	3.7
166.02599	0.5
167.03395	0.2
173.05968	1.3
177.01791	0.3
177.05510	0.3
178.06183	0.2
179.03348	0.4
183.02873	1.6
183.04420	0.8
187.03888	1.0
191.03377	0.3
191.06989	0.1
193.04907	0.1
195.02846	0.4
201.05453	4.0
202.05794	0.2
205.04944	0.4
207.02898	0.2
211.03889	0.4
213.05396	0.3
215.03345	0.2
217.04999	0.1
218.89499	0.1
218.91951	0.1
219.02841	0.3
219.06543	0.4
228.04146	0.6
229.04939	8.9
230.05367	0.2
232.03860	0.2
239.03500	0.2
243.03004	0.2
243.13686	0.1
245.04491	0.2
247.06032	1.2
257.04422	5.0
258.04977	0.3
274.04742	1.3
275.05386	0.4
285.03906	2.2
286.04294	0.2
303.04962	100.0
304.05304	5.7
318.33344	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05495	0.5
56.66759	0.1
57.07042	0.1
65.03922	0.5
67.01847	0.3
67.05498	1.2
68.99783	1.7
69.03405	0.5
69.07073	0.6
70.78659	0.4
71.01353	0.1
71.04982	0.2
79.05496	0.7
81.03399	0.7
81.07046	1.3
83.04966	0.2
83.08610	0.4
85.06536	0.2
91.05473	1.1
93.03401	0.5
93.07027	1.2
95.04965	1.2
95.08595	1.4
97.02903	0.2
97.06525	0.3
99.04440	0.2
99.08104	0.2
103.05465	0.3
105.07021	1.2
107.04933	0.3
107.08585	1.3
109.02865	1.0
109.06506	0.3
109.10133	1.2
110.03680	0.2
111.00787	1.8
111.04454	0.3
115.05437	0.3
115.50984	0.2
117.03352	0.2
117.07009	0.8
119.04969	0.2
119.08559	1.6
121.02864	1.9
121.06487	0.4
121.10139	1.4
122.03659	0.2
123.04417	1.0
123.08104	0.2
123.11701	0.4
125.09579	0.2
127.03895	0.5
129.06990	0.3
131.04904	0.5
131.08565	0.6
133.02846	0.2
133.06458	0.2
133.10118	1.3
135.04391	0.5
135.08041	0.5
135.11723	0.7
137.02344	6.5
137.03383	0.5
137.05966	3.7
137.09541	0.7
139.03850	0.1
139.11171	0.2
141.06984	0.2
143.04932	0.2
143.08554	0.3
145.02817	0.5
145.06453	0.7
145.10109	0.9
147.04393	0.4
147.08034	1.0
147.11671	1.2
149.02379	0.7
149.06023	0.7
149.07208	0.1
149.09621	0.4
149.13246	0.4
151.03896	0.3
151.07538	0.5
151.11179	0.3
153.01819	9.9
153.06970	0.2
153.09123	0.4
155.04887	1.0
155.08505	0.3
156.09343	0.2
157.06497	0.2
157.10107	0.5
158.10915	0.2
159.04410	0.2
159.08029	0.3
159.11665	0.6
161.06003	0.8
161.09572	0.1
161.13249	0.9
163.03912	1.2
163.07529	0.4
163.11201	0.3
165.01811	3.6
165.07036	0.4
165.09102	0.3
165.12769	0.3
166.02618	0.5
168.05679	0.2
170.10887	0.2
171.02866	0.4
171.11685	0.8
173.05991	1.4
173.09654	0.4
173.13278	0.7
175.07639	0.2
175.11191	0.3
175.14809	0.2
177.05464	0.7
179.03371	0.5
179.07045	0.2
181.06458	0.2
181.10095	0.2
183.02873	1.6
183.04431	0.8
183.08052	0.4
183.11650	0.2
184.03375	0.1
185.05956	0.2
185.09628	0.2
185.13275	0.3
186.10275	0.1
186.14064	0.2
187.03871	0.7
187.11185	0.4
187.14813	0.4
189.12733	0.4
191.03395	0.3
191.06972	0.3
195.02858	0.5
195.08029	0.1
197.09525	0.1
197.13266	0.3
199.11223	0.3
199.14804	0.2
201.05472	3.8
201.12596	0.6
201.16428	0.2
203.14255	0.1
204.15108	0.2
205.04945	0.4
205.15808	0.2
207.02913	0.3
209.13370	0.2
211.03856	0.2
211.07503	0.4
211.11058	0.2
211.14865	0.2
213.05463	0.4
215.03374	0.3
215.10651	0.2
215.14320	0.2
217.12241	0.2
219.02870	0.3
219.06537	0.5
219.13622	0.2
225.12878	0.2
227.14250	0.2
228.04204	0.5
229.04951	8.5
229.15813	0.1
230.05321	0.4
233.04462	0.2
239.03511	0.2
239.18018	0.2
243.10083	0.4
243.13805	0.4
245.07962	0.2
245.15257	0.2
247.06012	1.3
257.04431	4.7
257.12952	0.1
257.18970	0.6
258.04993	0.2
261.14853	0.1
267.17432	0.4
271.09619	0.4
274.04712	1.2
275.05490	0.3
285.03940	2.0
285.11841	0.2
285.18433	1.8
285.22043	0.5
286.04550	0.1
303.04968	100.0
303.19513	1.3
303.23105	1.1
304.05307	3.8
304.08118	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03936	0.1
55.01865	0.4
65.03919	0.6
65.71064	0.1
67.01855	0.4
67.05495	0.3
68.99786	2.1
69.03428	0.2
81.03402	0.7
91.05466	0.2
93.03401	0.8
95.04964	0.9
95.66947	0.1
98.20753	0.2
105.03372	0.1
105.07017	0.1
107.04948	0.2
109.02869	1.1
110.03630	0.1
111.00784	1.9
111.04422	0.2
115.05445	0.2
117.06994	0.4
121.02853	2.1
123.04430	0.7
127.03922	0.5
128.06207	0.1
131.04945	0.3
131.34058	0.1
133.02817	0.1
133.06548	0.1
133.57227	0.1
135.04390	0.6
137.02332	8.2
137.03369	0.4
138.02592	0.1
138.95584	0.1
143.04884	0.1
145.02856	0.2
145.06438	0.9
149.02336	0.9
151.03897	0.1
153.01814	11.4
155.04901	0.8
155.06044	0.1
157.06499	0.3
159.04411	0.3
161.06024	0.7
163.03897	1.2
165.01823	3.9
166.02614	0.5
167.03395	0.2
171.02866	0.2
173.05960	1.6
177.01819	0.2
177.05478	0.3
179.03380	0.3
183.02867	1.7
183.04424	1.0
187.03929	0.9
191.03346	0.3
191.06955	0.2
195.02876	0.6
200.04555	0.2
201.05452	4.8
202.05807	0.1
203.03308	0.1
205.04909	0.4
207.02892	0.3
211.03886	0.4
213.05429	0.2
215.03326	0.3
217.04916	0.1
219.02870	0.3
219.06541	0.6
228.04129	0.6
229.04933	10.6
229.35713	0.1
230.05289	0.3
232.03751	0.1
233.04430	0.1
239.03372	0.4
245.04427	0.2
246.05263	0.2
247.06007	1.3
257.04434	6.1
258.04880	0.3
267.02814	0.2
274.04712	1.6
275.05441	0.4
285.03915	2.7
303.04956	100.0
304.05319	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01854	0.4
56.26335	0.1
65.03930	0.3
67.01859	0.2
67.05490	0.2
68.99785	1.5
69.03429	0.2
70.85954	0.2
70.86293	0.3
81.03394	0.4
81.07083	0.2
93.03395	0.3
93.06996	0.2
95.04955	0.6
95.08608	0.3
97.02884	0.3
105.07008	0.2
107.04928	0.5
109.02855	1.0
111.00797	1.7
115.05457	0.1
117.07005	0.2
121.02868	1.9
123.04430	0.8
124.07572	0.2
127.03897	0.4
131.04915	0.3
133.02811	0.1
133.06499	0.3
135.04405	0.3
137.02333	6.8
137.03322	0.3
137.05963	0.7
145.02887	0.2
145.06454	0.6
149.02332	0.7
149.14792	0.2
153.01822	9.2
155.04913	0.7
159.04401	0.3
161.05975	0.6
163.03925	1.2
163.07593	0.2
165.01845	3.4
166.02614	0.7
167.03384	0.4
173.05997	1.2
177.01793	0.2
177.05495	0.3
179.03398	0.2
183.02867	1.5
183.04428	0.9
183.08044	0.2
187.03932	0.8
191.03505	0.2
195.02893	0.5
201.05447	3.9
205.04959	0.5
211.04021	0.3
213.05490	0.2
215.03149	0.2
219.02910	0.3
219.06502	0.4
228.04143	0.5
229.04947	8.7
230.05336	0.4
234.26357	0.2
239.03580	0.3
245.04497	0.2
247.06006	1.1
257.04428	4.9
258.04822	0.2
271.09836	0.2
274.04761	1.2
275.05426	0.3
285.03906	2.2
285.12198	0.2
303.04968	100.0
304.05341	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
52.30976	0.1
53.03935	0.2
55.01855	0.3
55.05502	0.3
56.96540	0.2
65.03919	0.5
66.92364	0.1
67.01852	0.3
67.05497	0.9
68.99787	1.7
69.03405	0.4
69.07052	0.4
69.36362	0.7
69.36777	0.4
70.06581	0.1
71.04987	0.3
73.49277	0.1
79.05486	0.6
81.03413	0.9
81.07050	1.1
83.04980	0.2
83.08610	0.1
85.02899	0.2
85.06537	0.3
86.13777	0.1
91.05465	0.7
93.03424	0.7
93.07050	0.8
94.04160	0.2
95.01347	0.1
95.04963	1.2
95.08591	1.2
97.02874	0.3
97.06514	0.3
98.21530	0.2
98.97576	0.3
99.08086	0.1
103.05449	0.3
105.03425	0.2
105.07007	0.8
107.04932	0.4
107.08582	1.0
109.02869	1.3
109.06487	0.3
109.10169	0.7
109.79099	0.1
111.00797	1.8
111.04410	0.3
115.05457	0.3
116.98607	0.3
117.03427	0.1
117.07007	0.4
119.04920	0.2
119.08586	0.8
121.02869	2.2
121.06516	0.3
121.10135	0.7
122.03642	0.4
122.05984	0.2
123.04442	0.8
123.08084	0.2
123.11685	0.2
124.07570	0.4
126.09057	0.1
127.03895	0.7
129.06985	0.3
131.04909	0.6
131.08545	0.2
133.02867	0.2
133.06476	0.2
133.10127	0.5
134.99629	0.2
135.04384	0.6
135.08136	0.2
135.11662	0.4
137.02333	6.9
137.05966	5.8
138.02800	0.1
139.03874	0.2
139.07442	0.1
143.04893	0.2
143.08580	0.1
145.02820	0.5
145.06464	0.8
145.10101	0.3
146.99466	0.1
147.11659	0.5
149.02310	0.8
149.05969	0.5
149.09598	0.2
149.13223	0.3
151.03877	0.2
151.07504	0.5
151.11075	0.1
153.01820	10.1
153.05415	0.2
153.06932	0.3
154.02144	0.2
155.04893	0.7
155.08559	0.2
157.06468	0.2
157.10144	0.2
159.04410	0.4
159.11662	0.2
161.05977	0.9
161.09566	0.1
161.13283	0.2
163.03912	1.2
163.07538	0.3
164.07080	0.1
165.01831	3.5
165.07024	0.4
166.02507	0.4
167.03363	0.2
167.07053	0.3
167.08540	0.1
168.05745	0.2
169.06506	0.2
171.02907	0.3
173.05983	1.5
173.13202	0.1
175.07492	0.1
175.14839	0.3
177.00578	0.2
177.01962	0.2
177.05478	0.6
178.04980	0.5
178.06364	0.2
179.03395	0.5
181.04950	0.1
181.06467	0.2
181.08624	0.1
183.02875	1.7
183.04431	0.8
183.08022	0.5
185.05893	0.2
187.03891	0.9
187.14816	0.2
189.16231	0.2
191.03427	0.4
191.07129	0.3
193.06532	0.1
193.12216	0.2
195.02919	0.5
196.05087	0.2
199.14830	0.2
201.05458	4.1
202.05847	0.2
203.03403	0.2
205.04962	0.4
207.02847	0.2
210.07164	0.1
211.03928	0.4
211.07643	0.5
211.14790	0.1
213.05478	0.3
215.03322	0.3
217.05121	0.2
219.02902	0.3
219.06506	0.6
225.09122	0.2
228.04207	0.5
229.04958	9.0
230.05423	0.3
239.03366	0.5
242.09436	0.1
243.10271	0.4
243.20920	0.1
245.04440	0.2
247.06032	1.3
253.08730	0.1
257.04422	4.8
257.11838	0.2
258.05038	0.2
271.09631	0.6
274.04691	1.4
275.05310	0.5
282.09479	0.2
285.03986	2.2
285.11395	0.4
285.22055	0.3
286.04446	0.2
303.04977	100.0
303.22897	1.5
304.05313	3.7
318.83322	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58483	0.2
56.96554	0.7
70.19608	1.1
82.27544	0.2
95.69260	0.2
98.21436	0.2
98.97575	2.6
99.97912	0.3
101.00877	0.7
116.98608	3.5
117.98930	0.3
119.01910	5.0
120.01970	0.5
120.97871	0.3
134.99652	3.1
137.02936	2.6
137.03894	0.3
138.98907	0.3
152.40533	0.2
153.00798	0.7
158.99879	0.3
160.84628	0.2
174.97925	0.3
177.00945	13.4
178.01010	1.8
179.00735	1.0
182.99968	0.5
193.04083	0.4
195.01808	0.2
200.02536	0.3
201.00958	0.7
217.04108	2.3
218.03798	0.9
219.01997	23.0
220.02095	4.1
221.01779	2.5
222.01949	0.9
225.00827	1.7
226.01059	0.4
234.99811	0.3
242.03610	0.7
243.01917	5.5
243.61832	0.3
244.02211	0.8
256.96661	0.9
258.99878	0.3
261.03043	100.0
262.03180	21.4
263.02856	2.1
266.03510	0.4
274.97586	0.5
277.00900	0.4
278.01144	0.2
279.00589	3.3
279.03717	0.4
279.98056	0.5
280.00662	1.3
284.04642	4.4
284.99765	1.4
285.04761	1.9
297.99121	0.4
301.01056	0.4
303.00833	2.6
303.05438	5.3
320.98352	0.5
323.26920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.7
60.32535	0.8
70.44226	3.5
91.22915	0.8
98.97581	22.6
101.00886	1.6
116.98618	25.1
117.98943	1.2
119.01936	9.0
120.97944	1.4
121.01641	1.2
134.99654	21.5
137.02936	5.0
141.96942	1.1
142.03525	4.0
143.03595	1.1
145.48807	1.8
153.00732	4.2
154.49477	0.9
155.14125	0.9
158.01294	1.7
158.99872	1.8
160.04509	2.2
177.00946	19.0
178.01059	2.0
194.98506	1.2
196.94489	1.2
201.00815	1.2
202.93498	2.3
214.92010	2.3
214.95622	3.8
217.04149	1.7
218.03572	2.8
219.02000	38.7
220.02156	2.7
220.94574	1.1
221.01721	1.9
222.94466	2.8
223.44522	1.8
223.94414	1.1
225.00925	1.1
226.95433	2.4
230.93256	1.1
231.95013	3.4
232.93053	4.7
232.96646	3.5
232.98763	1.3
235.96124	2.6
236.44385	1.2
236.60011	1.0
237.93884	1.5
238.46460	3.4
238.95532	7.5
242.03546	1.5
243.02084	2.7
245.94739	1.7
248.45145	1.4
249.97131	3.5
250.94107	4.0
253.91580	1.2
254.95586	1.2
255.95007	7.3
256.45013	2.9
256.96658	100.0
257.45752	1.1
257.96658	7.7
258.45343	2.1
258.96570	1.7
261.03055	57.9
261.97226	4.5
262.03207	10.7
262.59399	1.0
262.92307	2.7
263.42288	1.3
263.94119	1.1
264.95547	10.0
265.42969	1.2
265.45581	5.6
265.92935	1.1
265.95425	7.0
267.45761	4.9
267.72141	0.8
267.95715	4.2
268.45465	4.5
268.59805	2.1
268.94937	2.9
269.93549	1.6
270.26596	2.4
270.59824	0.9
270.94156	1.3
271.92926	4.6
272.42947	3.6
272.92337	1.2
272.94461	3.5
273.94293	1.7
274.43262	1.3
274.94107	28.0
274.97675	56.0
275.93845	1.7
275.97821	2.4
276.27069	2.8
276.46326	3.0
276.60339	2.0
276.93179	1.6
276.95862	3.6
277.46005	2.9
277.95627	2.9
278.44049	1.2
278.96918	0.9
279.00494	1.8
279.98218	56.7
280.98346	3.9
284.04733	2.1
285.94046	3.6
286.43912	1.3
286.96042	1.3
289.46637	1.4
289.95135	1.3
290.95447	4.2
291.95563	3.4
292.95154	22.7
297.43188	1.3
297.95758	3.7
297.99258	14.1
298.97626	5.0
299.90411	1.1
300.90475	1.2
302.99634	5.8
303.05252	1.7
314.95697	1.9
315.96518	2.5
316.00201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.05023	0.8
56.96570	1.4
57.03430	2.4
61.02921	2.8
64.44260	0.2
68.05004	0.6
69.03426	2.7
69.65982	1.5
69.66400	0.5
70.02928	0.5
70.06561	0.3
71.04968	0.5
72.04482	0.3
73.02912	2.4
80.05003	0.9
81.03396	1.2
83.01311	0.2
83.06098	31.0
84.04500	1.5
85.02422	0.4
85.02900	4.3
86.03206	0.3
86.03661	0.3
87.04452	0.8
90.05534	0.7
94.06538	0.2
95.06077	2.7
97.02876	2.0
97.07638	1.4
98.21456	0.5
98.97585	2.7
99.04504	0.3
102.05531	1.3
103.03996	0.3
105.05493	0.6
109.02868	0.8
109.07616	0.7
110.01244	0.5
110.06007	0.5
110.07169	0.3
110.97527	0.5
113.02382	0.7
116.98604	1.3
119.01835	1.9
121.01611	0.3
121.07606	1.0
123.06529	0.6
124.08698	0.7
125.07100	1.1
127.03927	1.2
128.02283	1.4
128.07057	0.4
128.08171	0.7
128.98595	0.7
131.00185	0.3
131.01910	0.3
133.03465	0.4
134.99623	0.6
137.02847	0.5
137.07088	2.2
138.06653	0.4
139.08620	0.4
140.03430	1.5
140.07230	0.4
140.08189	2.0
142.96585	0.2
145.04997	0.5
146.02312	0.4
146.99677	0.7
147.01260	0.4
149.05972	0.3
149.07097	4.1
152.07043	0.4
152.08141	2.1
153.06577	2.7
155.02797	0.4
158.99570	0.6
161.01131	0.5
161.02919	0.7
162.01726	0.3
162.03484	0.2
163.02667	0.3
164.08255	0.5
165.00752	0.7
165.06476	0.3
166.09796	0.4
167.08134	2.7
170.99664	0.3
172.99164	0.3
173.02992	0.5
173.09232	0.4
175.04587	0.3
177.00681	0.8
177.02243	0.5
178.09750	0.3
179.02214	0.3
182.08032	0.2
182.09283	3.1
183.02274	0.4
185.09227	0.7
188.97009	0.4
189.00726	1.0
190.05820	0.4
191.03900	0.7
192.02878	0.6
193.00174	0.3
194.09241	5.1
195.07637	0.8
197.06656	0.3
198.02869	0.8
199.00865	0.3
199.06282	0.5
200.04417	0.9
200.10292	24.1
201.10689	0.6
204.02827	0.6
206.02560	0.8
206.04361	0.4
206.07056	0.6
206.09267	0.8
207.03392	0.6
207.05165	0.6
212.10286	1.8
213.03421	2.5
213.08669	0.3
214.55112	0.4
215.03085	0.8
215.07645	0.6
219.01689	0.7
222.03883	1.4
224.10280	1.9
226.11824	0.5
230.98042	0.4
232.99625	0.3
237.02750	0.6
238.11880	1.1
242.11337	5.1
253.07735	0.3
254.11351	4.2
262.70969	0.3
263.00870	0.4
266.11337	3.6
273.09024	0.3
284.12387	16.6
285.13034	0.4
291.09326	0.3
293.05197	0.3
296.16437	0.3
302.13440	100.0
303.13763	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1346
Annotation	Ala-Asp-Pro
Peak:m/z	Relative Intensity
54.03461	0.2
55.01862	0.8
56.05043	1.2
56.96569	0.3
57.03421	0.8
61.02924	0.7
68.05029	0.7
69.03423	0.9
70.02925	0.3
70.22759	1.0
71.04982	0.3
72.04503	0.3
73.02914	1.7
80.05020	1.2
81.03421	0.5
83.06098	36.6
84.04494	0.9
84.06447	0.2
85.02898	1.9
85.46866	0.2
90.05543	0.9
92.04974	0.2
94.06545	0.3
95.06091	3.6
96.04483	0.3
97.02884	1.0
97.07647	1.3
98.06049	0.4
98.08459	0.5
98.97581	0.6
102.05556	1.5
107.06048	0.4
109.02901	0.4
109.07640	1.2
110.06023	0.5
110.07137	0.3
116.98591	0.5
119.01870	0.3
121.07624	1.4
123.05610	0.3
124.08698	0.9
125.07115	2.3
127.03903	0.5
128.07272	0.2
128.08208	1.5
129.06633	0.5
132.04358	0.3
133.03381	0.3
137.07097	2.2
138.06622	0.4
139.05020	0.6
139.08679	0.3
140.03398	0.4
140.05322	0.8
140.07034	0.6
140.08176	2.2
143.01851	0.3
145.04973	0.3
149.07082	4.4
149.08914	0.3
152.08182	2.2
153.06584	2.9
158.92703	0.2
164.08202	0.4
167.08141	2.7
173.02980	0.3
177.06567	0.4
178.04918	0.4
178.09767	0.4
179.22284	0.3
182.09225	3.6
185.09221	0.9
194.09262	4.3
195.07646	0.8
198.42755	0.2
200.10297	21.6
201.10591	0.4
206.09290	0.6
212.10211	1.3
213.08650	0.5
221.05109	0.4
221.07419	0.2
224.10263	1.8
226.11823	0.5
238.11900	1.3
242.11346	4.7
254.11337	5.1
266.11371	3.8
284.12402	16.3
302.13446	100.0
303.10446	0.5
303.13669	3.2
309.10248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01886	0.9
55.34098	0.6
57.03428	2.5
59.12613	0.6
59.86937	0.7
61.02906	2.3
65.03920	1.8
67.05500	28.0
68.05811	1.0
69.03067	1.0
69.03423	13.0
69.06714	0.9
69.07061	10.3
70.03756	0.7
70.65749	1.9
73.02908	1.8
79.93084	0.6
81.03407	3.8
84.08151	1.1
85.02901	36.4
91.03925	1.2
94.06567	2.5
95.04964	41.7
96.05296	0.7
97.02888	30.7
99.04490	0.9
103.03934	3.5
109.02885	6.0
112.07600	34.9
113.05984	3.0
113.08018	0.7
122.06022	1.4
123.04396	1.2
124.07568	3.2
127.03908	7.0
136.07564	2.3
140.07056	100.0
141.07410	2.7
145.04955	3.2
150.09087	1.1
154.08652	5.6
164.07097	0.8
170.08046	1.1
178.08641	1.9
182.08115	57.1
183.08473	1.8
206.08112	12.5
207.08324	1.0
218.08151	1.4
236.09123	3.1
248.09178	9.4
266.10193	1.0
273.19077	0.7
284.11255	1.9
302.12021	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47519	1.4
53.03938	2.2
55.01860	2.9
55.81689	1.2
56.96552	2.4
57.03430	3.8
61.02917	5.6
64.87452	1.6
65.03931	1.3
67.05499	5.9
69.03423	15.9
69.07060	4.1
70.06613	2.8
70.40313	6.0
70.72556	1.2
71.04982	1.8
72.08158	5.1
73.02911	5.9
78.18988	1.3
79.05492	6.6
81.03412	13.5
81.07050	11.0
82.02986	1.2
83.04983	2.1
84.04533	1.6
84.17563	1.3
85.02898	87.5
86.09709	15.9
91.05476	5.5
93.05757	1.9
94.06563	4.2
95.04974	8.3
96.04476	1.7
97.02884	39.6
97.06509	1.6
99.04408	2.3
101.02377	1.7
103.03909	6.9
105.07049	2.2
106.06551	1.8
107.04966	3.7
108.08120	16.1
109.02198	2.2
109.02870	19.6
109.06454	1.5
110.06013	2.3
112.07601	5.5
122.06007	9.2
123.04435	2.7
124.07599	4.5
125.05980	4.8
126.05521	6.0
126.09154	5.4
127.03908	21.4
134.99667	2.5
136.07562	18.1
137.06007	2.9
138.09116	3.9
140.07053	51.4
141.59811	1.5
145.04984	14.6
146.70738	1.5
149.05939	2.7
150.09152	4.1
152.07050	18.0
154.08635	5.9
156.06960	1.6
157.13354	2.8
162.05496	3.0
163.05988	3.0
164.07022	18.9
166.08653	5.1
169.07613	3.1
172.04198	1.7
178.08632	17.8
182.08115	100.0
183.08287	3.4
185.12900	4.0
185.16457	2.4
191.95288	1.4
196.08623	6.2
197.07236	3.5
206.08121	42.2
207.08542	3.0
213.30861	1.4
214.09833	2.9
218.08211	4.4
221.09938	1.6
229.04762	1.5
233.23338	1.5
236.09235	3.1
237.02861	2.0
243.10138	1.7
248.06839	1.6
248.09189	11.4
257.08096	1.7
260.10300	2.0
266.77991	1.7
285.07657	1.8
285.12234	1.5
302.07562	1.7
302.10986	4.2
303.05057	8.0
303.08337	2.6
303.13531	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01848	2.8
57.03435	3.4
61.02921	4.5
61.73080	1.8
67.05488	7.5
69.03430	11.1
69.07036	2.7
69.58381	1.6
69.74216	8.9
69.74627	3.8
70.06585	10.5
71.09190	2.1
71.58143	1.6
72.08141	4.3
73.02895	2.2
79.05485	7.8
81.03416	11.8
81.07034	6.6
85.02901	84.1
91.05454	2.3
95.01328	2.0
95.04939	9.2
97.02298	2.3
97.02891	38.9
103.03906	6.5
107.07315	1.7
108.08116	13.2
109.02872	13.6
112.07583	9.3
122.06000	7.5
124.07599	3.0
125.06002	5.7
125.32302	2.3
126.05474	5.2
126.09128	4.8
127.03909	21.1
129.44008	1.9
130.06551	2.0
136.07579	20.3
137.05934	2.3
140.07056	53.5
143.11797	3.4
145.04982	13.1
145.06097	2.2
149.06050	2.0
150.09106	4.2
152.07051	19.5
154.08618	7.0
162.05505	3.2
163.06029	2.6
164.07074	23.9
171.11201	2.0
178.08612	16.6
182.08116	100.0
183.08360	3.6
190.92349	1.7
206.08119	39.3
207.08490	3.4
218.08173	4.3
236.09137	2.7
248.09164	9.4
258.37842	1.9
275.09042	2.0
302.07336	3.8
302.11240	6.4
303.04941	2.5
303.13327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23523	0.7
55.01861	1.1
57.03432	1.9
61.02915	1.9
65.03935	1.0
67.05502	22.7
69.03425	12.8
69.07058	8.2
69.91917	2.4
69.92342	2.2
70.09019	0.7
73.02910	1.7
76.85898	0.7
81.03410	3.5
84.08140	0.9
85.02898	29.8
91.03955	0.8
94.06544	1.4
95.04964	36.4
96.05299	0.8
97.02276	1.6
97.02888	27.3
99.04459	1.1
103.03940	3.7
109.02905	5.3
112.07598	28.2
113.05982	2.6
122.06001	1.7
124.07570	1.8
127.03905	5.3
127.31232	0.8
136.07559	1.8
140.07054	100.0
141.07402	1.8
145.04999	3.1
150.09160	0.8
152.07112	1.3
154.08630	6.5
164.07112	1.0
170.08124	0.9
178.08632	2.1
182.08115	55.7
183.08467	1.2
206.08110	13.2
216.39243	0.8
218.08153	2.4
220.09654	1.3
224.41835	0.7
231.68633	0.9
236.09181	2.1
242.53564	0.9
248.09151	7.3
266.10092	0.9
284.11349	1.1
302.12427	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.5
57.03412	0.6
57.07072	0.6
59.44329	0.4
69.03406	0.8
69.07095	0.4
70.96848	0.7
72.93756	0.5
73.02905	0.6
81.07028	1.6
85.02901	1.9
88.53329	0.4
89.13352	0.4
90.94807	0.5
91.59873	0.4
94.54726	0.4
97.02869	1.2
98.97565	0.6
116.98589	0.5
119.01884	0.5
121.06458	0.8
127.03933	0.4
131.01888	0.4
133.06456	0.4
137.06006	0.4
139.08629	0.7
140.03343	0.4
140.07019	0.9
149.06046	0.4
155.01900	0.5
155.07129	0.4
163.95886	0.4
169.97803	0.4
203.03934	0.5
221.05037	4.5
225.88979	0.4
250.76836	0.3
301.12543	100.0
302.12943	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	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05514	11.9
57.07061	3.9
67.05505	21.0
69.07062	7.0
69.53938	25.5
72.42979	3.0
76.19702	2.7
79.05468	8.9
81.07057	18.7
81.07454	2.5
83.08611	4.6
91.05479	14.1
93.07045	26.6
94.47757	2.7
95.04973	3.2
95.08601	100.0
98.21467	5.6
105.07021	18.6
107.08582	32.7
108.69669	2.8
109.10169	15.9
111.04458	6.5
117.07102	3.1
119.08581	28.5
121.06509	4.7
121.10137	24.8
123.08069	2.6
123.11700	13.6
125.05977	11.2
129.06998	3.1
131.08527	7.1
133.10121	20.3
134.85085	2.6
135.11705	10.3
137.05962	5.9
143.08562	6.4
145.10118	10.2
147.11687	11.1
149.06140	3.6
149.13242	5.4
155.38330	2.8
157.10138	6.6
159.11740	9.8
161.09612	5.6
161.13248	8.2
163.14893	3.6
169.10127	3.7
171.11665	6.2
173.13275	6.2
175.14920	3.7
176.24915	3.3
179.10634	5.9
185.13348	4.7
187.11206	4.9
187.14861	4.0
191.10632	5.1
199.14787	6.1
201.16353	4.4
203.18015	7.6
205.12323	6.7
209.13451	3.2
213.12630	4.0
213.16086	3.4
217.12238	3.4
218.46976	2.8
219.13722	5.1
223.49347	2.9
231.13791	7.7
239.17941	3.7
239.34865	2.9
255.21068	6.8
283.20609	12.3
298.96530	3.3
301.07318	6.7
301.21661	66.6
301.25064	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
56.96547	1.3
58.99391	0.5
59.79207	0.5
62.44054	0.5
65.65005	0.4
66.21973	0.4
66.92622	0.5
69.67796	3.7
70.06594	0.7
72.93768	0.8
73.02890	1.3
74.02454	0.6
74.23199	0.5
78.40606	0.4
81.03396	0.5
81.07024	1.0
84.39747	0.5
85.02899	1.3
85.06491	0.6
85.07652	1.0
90.94806	1.1
92.37701	0.5
95.04965	1.4
97.02879	1.2
98.20824	0.8
98.97582	1.3
108.95876	0.9
116.98583	0.9
126.05479	0.8
130.08659	0.9
131.97427	0.8
139.03883	2.6
139.08601	0.7
140.01654	0.5
140.07002	0.7
147.04527	0.5
148.95413	0.5
166.96310	1.4
167.17262	0.5
177.00673	0.7
184.04312	0.6
200.03793	0.5
217.10587	0.6
221.00998	0.7
221.05000	3.3
240.03117	0.6
272.16125	0.5
296.32840	0.6
301.12549	100.0
302.13089	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	301.1068
Annotation	Stemofuran N
Peak:m/z	Relative Intensity
50.23193	0.4
51.38015	0.4
53.42476	0.4
63.14586	0.4
69.40530	3.0
69.40948	1.0
91.19942	0.4
98.20686	1.0
123.04410	2.1
128.06210	0.8
129.06984	0.5
131.04903	0.5
132.97015	0.5
136.05202	2.1
137.02330	0.7
147.04358	0.5
149.02319	1.1
156.05664	1.5
161.05904	1.0
163.03851	2.3
165.06862	0.6
170.07225	0.6
173.05974	1.5
176.04648	1.5
177.05388	1.0
181.06403	0.5
183.04330	0.4
184.05196	1.6
185.05997	2.8
187.07617	0.6
189.05437	1.7
193.60852	0.6
194.07202	0.5
197.05968	1.0
198.06764	0.6
201.05478	8.6
202.06235	14.8
202.08107	0.8
203.06950	1.6
211.07433	0.6
212.08273	2.2
213.05394	1.3
215.06998	3.9
217.08612	2.0
223.07562	0.5
229.04926	1.8
230.09357	1.1
239.07043	0.5
240.07791	11.6
241.04916	1.9
241.08429	1.2
243.06479	5.2
245.08069	4.3
251.06967	0.6
257.08008	1.2
258.08792	0.6
268.04361	0.6
268.07260	12.8
269.08029	3.6
271.06003	19.1
272.06473	1.3
273.07562	2.3
285.07565	4.1
286.08331	9.8
301.10666	100.0
302.10974	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	301.1068
Annotation	Sophoracarpan A
Peak:m/z	Relative Intensity
52.54370	0.8
53.03933	1.5
55.01859	1.0
65.03933	1.8
67.05489	1.1
68.99784	2.7
70.80855	1.0
70.81207	2.9
79.05480	13.9
81.07036	4.0
91.05466	9.3
94.04188	2.0
95.04964	4.3
105.03386	1.0
105.07045	1.3
107.04948	38.1
108.05777	1.3
109.02888	1.2
109.06487	2.2
119.04940	8.7
121.06496	3.1
123.04431	5.5
124.05212	20.1
125.06015	2.8
128.79196	0.9
131.04926	1.8
134.03687	1.1
135.04414	1.9
137.05966	2.5
139.03860	3.0
139.07533	34.4
140.04659	1.1
147.03223	1.9
147.04398	38.1
148.04810	2.9
151.03835	3.8
152.04665	14.2
152.05998	1.3
153.05415	3.9
153.06920	1.3
161.05986	2.8
163.03780	1.2
164.04642	1.0
165.06956	1.9
167.07039	70.6
168.07355	2.3
169.06474	1.3
170.07224	1.4
176.04713	1.2
177.05475	1.3
179.07016	3.0
181.05052	1.3
181.06439	7.3
183.08006	1.1
185.06017	2.2
185.09631	1.4
187.07584	1.4
187.73398	1.0
191.06998	3.7
195.08005	1.6
197.06004	4.8
198.06743	3.6
199.07501	2.7
207.06482	1.6
209.05995	4.1
210.06694	2.3
211.07527	2.0
213.09117	4.0
215.06984	3.1
223.07379	1.2
225.05408	2.3
226.06223	7.6
227.06987	4.6
237.05458	2.2
238.06300	2.0
239.06996	3.6
240.07675	3.1
241.08566	15.1
243.06512	2.9
251.07043	1.0
253.04933	2.2
254.05536	1.6
255.06430	2.5
258.08829	3.7
267.06329	1.5
268.06982	2.9
269.08057	21.4
270.05023	1.1
270.08746	7.2
271.05725	8.1
273.11200	14.0
285.07312	1.4
286.08102	13.5
300.09500	2.5
301.10620	100.0
302.10922	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	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
50.21720	0.1
55.01867	0.1
56.96539	0.1
66.04705	0.1
67.01850	0.1
67.05480	0.1
68.99783	0.6
69.03422	0.1
69.07067	0.1
70.11279	0.1
70.11671	0.2
73.01365	0.1
73.09752	0.1
74.75784	0.1
78.04716	0.1
79.05468	0.1
81.03413	0.1
81.07027	0.2
85.06516	0.1
91.05467	0.5
92.02611	0.1
93.07026	0.2
95.04966	0.3
95.08563	0.2
97.02861	0.1
98.34082	0.1
105.03381	0.1
105.07017	0.1
106.04168	0.3
107.04955	0.6
107.08582	0.1
108.02119	0.1
108.05740	0.1
109.02871	0.4
109.06493	0.1
109.10114	0.1
111.00796	0.1
111.04385	0.1
119.04924	0.2
119.08571	0.1
121.02853	0.1
121.06493	0.9
121.10110	0.1
123.04404	0.1
124.01535	0.2
125.05979	0.3
126.03124	0.2
131.04898	0.1
132.02078	0.1
133.02740	0.1
133.06529	0.1
133.10152	0.1
134.03584	0.2
135.04408	3.4
137.02324	1.2
137.05980	0.1
139.03896	4.1
141.06984	0.1
144.15990	0.1
145.06456	0.1
145.10188	0.1
147.04359	0.2
149.05936	0.5
152.01050	0.2
152.06218	0.1
153.01820	6.5
153.06985	0.2
154.02220	0.1
157.06477	0.1
159.08121	0.1
160.01544	0.5
160.05168	0.1
161.05971	1.0
165.01831	2.7
165.07019	0.2
168.05687	0.1
169.06517	0.1
170.02138	0.4
171.08051	0.2
173.13254	0.1
175.03952	0.1
175.07594	0.1
179.03386	0.2
181.06459	0.3
183.02859	1.1
183.08022	0.1
184.05200	0.4
185.05913	0.4
187.03850	0.1
187.07497	0.1
188.04662	0.1
189.05489	0.1
197.05986	0.2
198.06743	0.2
199.07571	0.1
201.05443	0.9
202.06239	0.6
203.03526	0.1
203.07008	0.1
209.13391	0.1
211.07434	0.1
212.04645	0.6
213.05449	1.3
213.08914	0.1
214.74667	0.1
215.06996	0.1
216.04163	0.2
217.04938	0.1
226.06247	0.2
227.07079	0.3
229.04942	4.2
230.05730	9.0
231.06061	0.4
240.04126	0.2
241.04990	0.6
241.08578	0.3
242.05699	0.4
243.02876	0.2
243.06398	0.2
244.03856	0.1
245.08098	0.8
255.06465	0.3
257.04474	1.8
258.05231	9.0
259.05640	0.4
268.03616	0.2
269.04443	2.0
269.07520	0.1
270.05109	0.1
271.02307	0.1
271.05795	0.1
272.06808	1.2
273.07532	0.1
283.06137	0.1
283.20410	0.1
285.03778	0.5
286.04706	6.5
287.05014	0.2
301.07050	100.0
302.07401	3.9
302.10425	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
55.01858	0.9
55.05496	1.0
56.96551	2.6
67.05488	2.1
68.99792	1.2
69.03423	1.8
69.07056	1.7
69.75755	0.5
70.77879	1.0
70.78236	1.2
71.05000	0.6
73.04544	0.5
76.16798	0.5
76.60846	0.5
79.05466	1.3
81.03426	0.6
81.07048	3.6
82.07366	0.5
83.08612	0.7
85.02902	2.7
89.03873	0.6
91.05479	3.0
93.07058	2.8
95.04956	1.3
95.08585	2.4
97.02888	1.7
97.10143	0.4
99.04476	0.6
103.05463	0.6
103.71145	0.5
105.07020	2.9
107.04971	1.2
107.08575	2.1
109.02892	0.8
109.06504	0.6
109.10131	1.8
109.29708	0.6
111.04440	0.6
116.98598	0.9
119.04923	1.5
119.08577	2.0
121.02854	2.1
121.06470	0.9
121.10117	1.4
123.04435	1.9
123.08092	0.7
123.11660	0.8
124.01546	1.1
124.47276	0.6
124.61649	0.5
125.09664	0.5
127.03858	0.6
131.04918	0.8
131.08582	1.0
133.10115	2.3
134.03639	4.8
134.99579	1.1
135.04497	0.7
135.11688	0.6
137.05962	1.9
137.09569	0.7
141.06979	1.1
145.04933	0.8
145.10121	1.4
147.04393	1.5
147.11673	1.9
149.02342	0.8
149.05942	0.8
149.09569	0.8
151.03958	1.0
152.06145	0.9
153.01830	12.6
153.07018	3.0
157.06526	1.1
157.10065	0.6
159.11678	1.7
161.05983	1.4
161.09633	1.0
161.13202	0.9
163.11214	0.6
165.06981	1.7
167.08510	0.7
169.06436	0.6
170.02113	1.7
170.07291	1.2
173.09589	0.6
173.13228	0.7
174.06708	0.6
177.00749	0.7
177.05449	1.0
181.05026	0.7
181.06419	3.5
182.07210	0.6
183.08057	1.2
185.06006	1.4
187.03873	0.5
187.07465	0.7
195.08067	1.1
197.05951	1.2
198.06786	2.7
199.03876	1.1
199.14767	0.8
201.05513	1.2
202.06227	1.8
208.05177	1.0
209.06003	0.9
211.07648	1.5
212.04628	0.8
213.05528	4.1
213.09145	1.9
215.07016	1.0
217.04810	0.6
223.07565	0.7
225.05408	0.6
226.06236	2.1
227.07140	0.8
229.04987	8.6
230.05769	4.1
237.02829	0.9
240.07889	1.1
241.04947	13.3
241.08565	2.2
242.05289	0.7
242.09477	0.7
243.06392	0.6
245.08049	1.4
249.14282	0.7
251.06921	0.9
255.06552	0.7
257.04440	0.5
258.05264	4.3
258.07669	0.7
258.08734	0.5
259.05634	0.5
268.07260	1.3
269.04465	14.2
269.08008	1.2
270.04800	1.0
271.05902	2.0
271.13809	1.2
273.07504	0.8
278.46420	0.5
283.20575	1.1
285.03937	1.4
285.07019	0.6
286.04706	24.8
286.07996	1.3
287.05301	0.6
301.07028	100.0
301.10599	25.5
301.21582	4.3
301.25308	1.5
302.07385	3.2
302.10693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Ebenfuran II
Peak:m/z	Relative Intensity
69.36155	3.1
72.52493	0.2
85.02882	0.3
91.05465	0.4
91.71954	0.3
107.04921	0.5
121.02835	0.6
123.04427	2.8
128.06209	0.7
131.04929	0.8
131.08553	0.3
134.03586	0.4
135.04385	0.4
136.05220	2.3
137.02342	0.3
139.03963	0.4
142.07709	0.4
143.05008	0.3
147.04375	0.9
148.05167	0.6
149.02322	0.8
149.05913	0.7
151.03923	0.4
156.05759	1.6
157.06516	0.6
159.04398	0.5
160.05228	0.5
161.05969	0.8
163.03889	2.6
164.04674	0.7
165.06989	0.5
169.06448	0.6
170.07271	1.1
173.05936	0.7
174.06760	0.3
175.03806	0.3
176.04723	1.9
177.05406	1.0
181.06496	0.4
183.04344	0.5
183.08014	0.7
183.69806	0.3
184.05165	1.6
185.05954	2.8
187.03914	0.3
187.07539	0.6
189.05449	1.9
194.07233	0.4
195.08003	0.4
197.06001	0.9
198.06696	0.6
201.05443	8.1
202.06230	15.1
203.06912	1.2
211.07530	0.3
212.04668	0.5
212.08330	1.8
213.05463	1.5
213.09012	0.3
214.06311	0.4
215.06993	3.7
216.07784	0.5
217.08620	2.0
223.07460	0.6
225.05446	0.5
226.06177	0.3
227.07033	0.4
228.04160	0.3
229.04980	1.7
229.08536	0.6
230.09326	1.0
239.06918	0.6
240.07799	13.2
241.04982	1.5
241.08505	1.1
243.06514	6.1
245.08076	4.4
251.07043	0.9
253.04929	0.6
257.08093	0.8
258.08890	0.8
267.06476	1.2
268.07288	16.9
269.08011	3.5
271.05988	23.3
272.06552	0.6
273.07568	2.0
285.07578	4.9
286.05124	0.7
286.08328	10.8
287.08777	0.3
293.82135	0.3
301.10666	100.0
302.10968	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05503	4.1
56.96550	1.8
57.03417	0.9
63.19125	0.8
67.05488	2.9
68.68291	0.7
69.03409	3.0
69.07062	84.1
69.58744	5.2
70.06586	10.9
70.07387	1.0
81.03391	1.7
81.81396	0.9
83.08605	3.1
85.02895	1.5
86.09680	1.4
88.03992	1.1
91.72373	0.7
94.06572	0.8
95.04960	5.0
95.08591	0.8
97.02882	3.7
97.06506	7.2
98.20823	1.6
98.97560	2.5
107.04971	1.6
112.07596	13.6
116.07044	0.9
116.98611	2.2
122.06036	1.3
123.04385	3.5
134.05949	0.8
134.99680	1.0
136.07549	1.0
137.05965	2.0
138.05490	1.4
138.09087	1.6
139.08691	1.1
140.07051	84.7
140.62823	0.8
141.05432	3.6
141.07368	1.0
145.06506	0.8
146.07115	0.7
149.05847	1.0
152.07057	0.8
158.99622	1.7
160.05666	2.9
161.01216	0.8
168.06548	100.0
168.78831	0.8
169.04942	10.9
169.06216	1.3
169.07005	0.7
175.86604	0.7
177.00705	2.5
220.07843	1.1
237.02695	1.0
241.08337	3.6
254.10265	5.5
282.09717	49.3
300.06079	1.8
300.12695	1.6
301.06909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	7,8,3'-Trihydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
51.57400	0.5
53.03931	0.7
55.01863	1.3
55.05506	1.0
56.96555	0.5
63.29835	0.5
65.03922	1.9
67.05500	5.1
68.99786	1.8
69.03418	1.8
69.07055	1.7
69.41377	2.4
69.41806	2.9
70.28159	0.5
71.04987	1.2
77.95841	0.5
79.05470	2.1
81.03407	0.8
81.07055	3.6
83.04971	0.6
85.02905	1.8
85.06532	0.9
91.05476	4.2
93.07034	3.0
95.04973	6.4
95.08608	2.7
97.06478	0.8
98.21460	1.1
98.97517	0.6
105.07024	4.5
107.04951	22.9
107.08615	3.0
108.05294	0.6
109.06534	0.6
109.10148	2.6
111.04430	1.6
111.08127	0.5
115.05440	0.5
117.06994	0.9
119.04951	2.0
119.08568	3.7
121.02871	4.2
121.06510	1.7
121.10117	3.0
123.04424	100.0
123.11675	1.0
124.04754	2.2
125.05978	1.6
125.09623	0.6
128.06206	0.6
129.07021	0.9
131.04898	1.0
131.08585	1.1
133.02835	2.5
133.06499	1.6
133.10117	2.9
134.03647	1.8
135.04457	1.1
135.08011	1.0
135.11659	1.2
137.02394	0.6
137.06004	2.5
137.09616	1.0
139.03903	17.2
141.06950	1.2
142.07744	0.6
143.08565	0.8
145.06483	1.5
145.10115	2.5
147.04425	3.5
147.08020	0.9
147.11635	1.1
149.02324	10.8
149.05981	1.1
149.09634	1.3
149.13324	0.5
151.03871	1.9
151.11150	0.8
152.06219	2.0
153.06984	3.2
154.07776	0.7
155.08578	0.8
157.06487	2.3
157.10139	1.5
159.08099	0.9
159.11708	2.6
161.02347	0.7
161.05998	0.8
161.09579	0.8
163.03925	2.6
163.11162	1.2
164.04672	1.4
165.05739	0.7
165.06961	3.2
165.09109	0.7
167.03436	0.9
167.07089	1.0
167.08554	1.1
168.05649	1.1
169.06482	1.3
170.07231	1.0
171.04433	1.4
171.11665	1.0
173.05969	1.1
173.13274	1.7
174.03133	1.0
175.03819	0.6
175.07610	0.7
175.11125	0.9
177.05489	2.2
177.07010	0.8
179.03386	1.9
180.05765	0.9
181.06487	4.7
182.07303	1.6
182.88071	0.7
183.04491	0.7
183.07996	1.0
184.05344	0.7
185.06001	3.0
185.13290	1.3
187.07452	1.0
191.14322	1.0
195.08060	1.9
197.05954	2.2
197.13248	0.6
198.06718	3.0
199.07533	1.5
199.14716	0.7
200.04774	0.6
201.05405	1.1
201.16417	1.3
201.86909	0.5
202.06396	1.2
205.15884	0.5
209.05981	1.7
211.07652	1.5
212.04675	1.0
213.05449	5.4
213.08990	2.6
215.07048	1.5
217.04787	0.7
217.08521	0.7
223.07553	1.0
225.05528	1.2
226.06161	2.8
227.06992	2.5
229.04926	1.4
230.05681	1.0
231.06538	0.8
232.53223	0.6
240.07722	0.8
241.04973	3.3
241.08551	4.0
241.19666	0.6
242.05803	2.8
243.06392	1.6
245.08084	41.4
246.08438	2.1
251.07057	0.8
257.04486	1.4
258.05325	3.2
258.08926	1.0
269.04526	1.1
269.08060	2.6
271.05502	0.6
272.06802	1.7
272.10107	0.5
273.07571	62.3
274.07806	2.7
283.06070	2.1
283.09479	1.0
283.20483	1.5
284.06393	0.7
286.04666	1.9
286.08054	1.6
301.03506	1.0
301.07037	21.3
301.10657	27.2
301.18250	1.0
301.21552	8.3
302.07449	0.9
302.10992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1076
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.03933	0.4
55.05490	0.5
56.96544	0.4
57.03418	0.6
59.04985	1.4
61.02915	0.5
63.06659	0.3
67.05501	0.4
67.06615	0.3
69.03419	1.0
69.07050	1.6
70.06574	0.8
71.60220	0.2
73.02911	0.5
81.03415	0.5
82.06583	0.2
84.95028	0.3
85.02914	2.2
89.06007	0.7
93.21371	0.3
94.06560	2.3
96.04487	0.3
97.02881	1.1
98.97566	0.9
99.04479	0.3
99.21417	0.3
101.06010	0.4
103.07563	0.7
109.02892	0.4
110.06040	1.8
111.04435	0.3
112.07563	0.5
113.97635	0.2
116.98624	0.5
120.08083	1.1
121.08604	3.0
122.06036	0.6
124.03906	0.5
127.03921	0.6
128.97231	0.3
134.99553	0.4
136.06158	0.4
137.05890	0.3
137.89801	0.2
138.05492	100.0
138.08966	1.3
139.05827	1.2
140.07050	2.7
161.02988	0.4
164.06981	0.3
168.06583	2.5
177.00691	0.5
177.05916	0.4
186.74611	0.3
198.04691	1.1
209.55591	0.4
219.01746	0.4
282.09763	1.4
300.05984	0.6
300.10986	1.2
300.15421	0.6
301.07211	0.3
302.05838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01853	3.0
55.05502	11.9
56.75431	0.9
56.96566	2.9
57.03427	14.7
57.07057	3.8
57.17244	1.0
59.04980	3.6
67.05170	2.0
67.05497	29.1
69.03409	2.5
69.07064	18.3
71.04973	3.6
71.08605	1.7
71.60175	2.4
73.06527	2.1
79.05052	1.7
79.05479	14.7
81.07048	74.5
83.04549	1.0
83.04977	7.4
83.08596	8.2
85.02894	1.4
85.06538	5.9
91.05469	25.1
93.07041	13.1
94.95457	1.0
95.04954	4.3
95.08592	20.0
97.02863	1.2
97.06520	9.9
97.10162	1.2
98.97568	1.7
99.08076	3.7
101.05994	1.4
105.07017	31.8
107.04945	4.7
107.08582	11.3
109.06539	6.1
109.10133	5.8
111.08076	1.6
111.11715	2.1
115.07558	1.8
117.06950	1.6
119.01932	5.8
119.08566	25.0
120.01997	1.3
121.01660	1.9
121.09315	1.4
121.10136	15.3
123.08044	2.9
123.11691	18.8
124.18597	1.2
128.06157	1.4
129.06979	5.4
131.08548	5.0
133.10112	10.2
134.03580	2.5
134.99651	1.5
135.04408	1.2
137.02953	1.5
137.05937	1.9
137.13205	4.4
141.09058	1.2
142.07660	1.5
143.01868	4.1
144.01991	2.3
145.01537	1.1
145.10019	1.8
147.04335	7.1
147.11671	59.1
149.09612	3.1
157.10106	7.3
159.08052	1.3
159.11649	1.4
161.02946	7.5
161.05911	1.2
162.03050	3.6
163.02687	2.8
165.12741	45.9
171.11708	1.2
175.04410	1.6
175.07552	1.1
175.11136	9.4
177.00705	1.2
177.12781	1.3
181.06514	1.8
183.13730	1.3
184.05049	1.6
185.05948	3.1
187.00818	1.3
187.07495	1.4
193.12213	9.1
196.05148	2.4
197.05853	1.7
197.15303	8.5
203.03888	2.6
210.06726	5.6
211.07442	1.7
213.05482	3.7
214.05965	1.4
221.06087	2.5
225.14822	1.7
227.06984	1.6
229.14307	2.9
237.05379	4.6
238.06177	16.4
239.06842	3.5
241.05013	5.7
242.05411	1.4
243.15919	2.6
249.05382	4.1
255.06404	3.3
255.65187	2.9
256.07156	1.6
265.04898	3.6
265.07336	2.5
266.05746	16.3
267.03033	7.7
267.06259	8.4
267.15747	1.7
269.04391	9.0
271.05991	2.2
283.05972	17.0
284.06750	17.6
285.07178	2.0
299.05551	12.2
299.09076	100.0
299.18420	37.8
299.22113	1.7
299.23282	1.9
300.06018	1.9
300.09378	8.1
300.12463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
54.20335	0.6
55.01867	2.8
55.05505	11.8
57.03436	19.7
57.07062	1.1
59.04996	2.1
65.03931	1.5
67.05501	38.8
68.99791	0.6
69.03430	1.9
69.07059	16.1
71.04998	5.1
71.08620	0.8
71.42477	0.6
71.61024	0.9
73.06551	1.5
77.44810	0.6
79.05486	19.7
81.03419	1.2
81.07051	100.0
82.07389	0.9
83.04980	8.7
83.08610	6.4
85.06542	8.9
91.05475	34.4
93.07032	14.7
95.04958	5.8
95.08600	22.3
97.06533	10.1
97.10173	1.5
98.97565	1.3
99.08094	6.9
101.06009	1.5
101.77508	0.7
105.07021	41.2
107.04960	3.6
107.08590	14.6
109.06507	7.5
109.10151	3.0
111.04452	2.2
111.08094	1.8
113.05967	1.2
113.09666	0.7
115.05446	1.0
115.07558	0.9
116.98633	1.0
117.07042	1.2
119.08577	35.2
121.06508	0.7
121.10136	18.2
123.04440	0.7
123.08060	2.6
123.11698	22.0
123.12569	1.4
127.07523	1.4
129.06989	6.2
129.09125	1.0
130.12996	0.7
131.08560	6.3
133.02866	1.4
133.06502	1.0
133.10132	12.3
134.03656	1.9
134.99609	0.9
135.11653	1.2
137.02367	0.8
137.09697	0.7
137.13226	2.8
141.09068	1.5
142.07785	1.9
143.08534	0.9
145.10123	3.0
146.03659	0.8
147.04413	7.3
147.08006	1.9
147.11676	84.7
149.09607	1.9
149.13216	0.8
152.53596	1.1
153.06982	1.0
157.10106	9.0
159.08066	2.2
159.11647	1.7
163.07596	0.7
165.06993	1.1
165.12746	59.0
166.13132	0.9
168.05783	0.9
173.13243	0.7
175.11179	8.7
176.04489	0.8
177.05505	1.0
181.06543	1.4
182.07298	0.8
183.13818	2.3
185.05948	2.9
193.12225	13.9
195.07942	1.0
196.05197	2.2
197.05954	2.2
197.15369	10.0
209.05925	1.3
210.06726	6.0
211.07440	1.5
211.13222	1.2
213.05492	2.4
213.08887	0.8
219.14075	0.7
221.05980	2.5
225.05428	0.9
225.14877	2.1
228.07817	0.7
229.14366	2.5
237.05482	5.2
238.06232	12.1
239.06999	3.2
241.04932	5.1
243.06378	1.1
243.15877	2.8
249.05481	3.5
253.04890	0.8
255.06421	3.4
256.07257	1.2
258.08810	1.7
265.04865	3.0
266.05759	13.2
267.06470	8.0
267.15891	2.6
268.06891	0.9
269.04388	7.2
271.05923	1.2
271.16974	0.8
281.18906	1.5
283.02951	1.1
283.05975	12.2
283.15353	1.0
284.06754	16.4
285.07101	1.3
299.05777	4.2
299.09106	81.5
299.18457	53.8
300.09415	5.8
300.12411	1.6
300.18726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78172	1.2
53.03923	1.9
55.01850	3.4
55.05510	10.1
55.62822	1.2
56.96551	1.8
57.03429	15.9
57.07055	3.7
67.05499	30.8
69.03399	2.2
69.07063	13.1
70.71843	4.0
71.04964	4.8
79.05497	17.7
81.07056	79.4
82.07366	1.6
83.04981	8.4
83.08627	7.1
85.02912	1.4
85.06529	6.6
91.05476	31.4
93.06570	1.1
93.07044	14.9
95.04937	5.2
95.08035	1.9
95.08598	19.9
97.02869	1.8
97.06535	9.1
97.10133	1.5
98.97565	2.1
99.08086	5.8
105.03374	1.6
105.07023	32.0
107.04921	3.8
107.08577	12.2
109.06474	5.1
109.10132	4.2
111.04424	1.4
111.08041	2.6
113.06013	1.6
115.05404	1.4
116.98611	3.3
117.06963	1.6
119.01888	1.3
119.08580	24.6
121.06490	2.4
121.10142	18.5
123.04403	2.0
123.08022	4.7
123.11707	20.8
129.06979	4.9
131.08540	5.0
133.06474	2.1
133.10120	13.1
134.99689	1.7
135.11726	1.2
137.05917	2.7
137.09619	2.0
137.13239	3.1
139.76312	1.4
141.09096	1.7
142.07761	2.0
143.08609	1.1
145.10106	3.5
147.04373	5.4
147.11685	68.1
148.12001	1.4
149.09602	3.0
154.07718	1.4
157.10132	8.2
159.07973	1.2
161.03011	1.5
161.09628	1.1
165.11400	2.5
165.12747	47.1
166.13156	1.3
175.11179	7.5
177.05495	1.5
181.06372	1.8
183.07881	1.2
183.13757	1.1
184.05238	1.1
185.05794	1.2
193.12241	11.7
196.05151	1.6
197.15312	7.8
210.06731	6.4
213.05458	3.7
221.05896	3.9
225.14684	2.4
227.06821	1.6
229.14207	2.3
237.05415	4.5
238.06236	14.4
239.03345	3.7
239.06804	4.2
241.04971	7.0
249.05470	3.4
253.04877	1.9
255.06534	4.8
256.07120	1.8
265.04843	3.6
266.05765	17.2
267.06476	7.4
267.15955	1.7
269.04434	9.8
271.05984	2.5
283.06021	14.8
284.03662	1.1
284.06744	21.3
285.07062	2.0
299.05521	14.6
299.09070	100.0
299.18430	44.1
300.06104	2.6
300.09427	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	299.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
54.60255	0.8
55.01852	2.9
55.05506	3.9
56.05027	4.4
56.70610	0.8
56.96563	21.4
57.03435	7.5
57.07059	3.0
59.05003	1.3
60.04518	0.8
61.02922	6.3
67.05497	3.4
69.03429	16.3
69.07063	1.9
70.06590	20.9
70.85240	1.1
70.85591	1.8
71.01332	1.1
71.04986	4.4
72.04494	0.9
73.02911	10.5
74.06081	1.0
75.04481	1.8
77.33167	0.9
79.05498	1.3
80.66296	0.8
81.03414	6.0
81.07046	3.3
82.06555	1.1
83.04984	3.7
83.06099	74.2
83.08613	1.8
84.04500	1.0
84.08147	5.1
84.40734	0.7
84.96035	2.1
85.02901	30.1
85.03425	1.6
85.06533	2.5
86.03227	1.7
87.04459	3.2
88.03987	0.9
90.01567	1.0
91.04003	1.5
91.05428	1.2
93.07043	1.9
93.48325	0.9
94.06514	0.9
95.04958	2.6
95.08593	1.8
96.04561	1.1
97.02893	18.4
97.06561	1.3
97.10166	1.1
98.03221	1.1
98.06073	1.2
98.97575	13.6
99.04453	3.5
101.06010	7.6
103.03931	1.3
103.05467	1.0
105.07070	1.0
107.04951	1.4
108.04388	1.3
109.02893	4.3
109.06504	1.0
109.10180	1.1
110.06058	1.7
110.07169	1.1
110.97571	1.7
112.07594	31.3
114.05536	1.6
115.03906	1.8
116.98617	15.8
117.01929	1.0
118.06521	0.9
119.01867	6.6
119.07066	1.1
120.02591	2.6
120.08101	8.7
120.97861	1.1
121.06516	8.4
124.03934	1.1
124.07607	1.2
124.99153	0.9
127.03902	6.5
128.02293	2.4
128.08197	11.0
128.98587	4.6
129.06624	1.4
129.10262	2.4
130.08652	2.1
130.52475	0.8
131.00146	1.9
131.01913	1.5
132.02510	1.3
133.03438	2.5
134.06015	1.0
134.99646	13.5
135.99922	1.2
136.06190	3.3
136.07542	1.5
137.03003	1.5
137.04518	1.0
137.05893	2.0
137.08144	1.2
138.05495	7.5
138.09131	14.2
140.02327	1.1
140.05815	0.8
140.07089	2.6
141.05440	1.1
143.00166	1.4
145.01701	1.5
145.03458	2.5
145.04945	5.3
146.01251	2.1
146.99651	6.1
147.03040	1.1
149.01222	1.7
150.05458	1.7
152.07068	2.4
153.00728	3.2
153.05630	1.5
154.03905	2.3
154.08549	1.0
155.07039	1.1
155.08195	1.0
156.10167	9.4
157.03473	1.7
157.09795	1.0
158.01231	2.2
158.04167	0.8
158.99677	4.9
159.03210	1.1
159.05051	1.0
160.97614	0.9
161.01207	3.9
161.02917	2.0
161.04619	1.7
162.99126	1.4
163.02821	1.1
163.04419	3.1
164.02335	4.8
164.05493	0.9
164.07047	5.1
165.00716	1.6
166.07321	0.8
167.04413	1.7
168.03712	1.6
168.05270	3.1
168.06564	1.0
169.04446	3.4
170.05157	4.1
170.99731	1.9
171.05063	1.0
172.09702	2.1
172.95311	1.4
173.01241	2.3
173.02849	1.2
174.00739	1.2
174.03661	2.9
174.99115	1.0
175.01306	0.8
175.02797	6.0
175.04309	1.5
176.74776	0.9
177.00719	13.7
177.02162	1.1
177.04182	1.6
177.05634	1.1
178.00957	1.8
179.02344	2.0
179.04529	1.7
179.55255	1.3
182.03427	3.3
183.04150	5.8
185.01323	1.1
187.02719	1.1
187.54056	1.1
188.55937	0.9
189.00740	2.9
189.06122	1.0
189.12369	8.0
189.55826	1.0
190.05019	3.6
191.02296	2.3
191.03923	2.1
192.04541	5.1
193.00391	1.4
193.03169	13.1
195.01703	2.8
196.04893	1.1
196.54729	4.3
197.01091	1.2
197.05585	3.1
201.00784	2.7
202.04974	1.2
203.02252	1.5
203.07660	1.4
205.03818	1.4
207.01768	1.3
212.13916	1.8
213.06207	1.0
214.98250	1.2
217.03867	1.4
218.06223	15.9
218.56454	2.6
219.01736	9.7
219.05212	1.9
219.07109	7.4
221.03299	2.9
221.05165	2.0
226.05884	2.5
227.06352	1.1
228.05598	3.6
230.07076	1.1
232.06744	1.3
232.96530	1.7
236.03854	1.7
237.02789	12.1
239.15103	2.3
241.06345	1.7
242.03339	1.4
242.07259	1.6
245.05211	1.4
250.97502	2.1
251.04187	1.1
252.02568	1.3
255.03804	1.7
255.06081	5.1
256.96524	2.1
257.08246	2.1
257.16190	1.4
258.06540	2.0
259.06607	1.0
260.55060	1.0
261.02750	1.4
267.00006	1.4
270.08328	1.1
274.97327	6.2
275.09332	2.3
275.97824	2.9
276.07431	9.6
277.00882	1.5
277.07886	1.1
281.11447	2.7
281.15387	3.8
283.03116	1.6
287.05914	4.7
287.56528	1.5
290.08405	1.6
292.98578	3.1
293.98944	1.8
294.03915	1.6
294.08691	1.7
295.03452	1.4
298.59225	1.1
299.06226	7.0
299.09320	16.5
299.17111	100.0
299.59070	1.6
300.06738	1.7
300.10312	8.8
300.15118	3.0
301.05948	1.4
309.08737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01868	1.8
55.05262	0.9
55.05508	11.5
56.96555	4.8
57.03424	7.4
57.07055	1.4
59.05000	5.1
60.15476	0.7
61.02916	5.9
62.35218	0.8
62.92465	0.7
67.05513	1.8
69.03424	5.8
69.07056	2.2
69.78734	1.6
69.79146	3.4
70.06595	4.5
71.04988	16.2
73.02917	7.1
73.06544	2.5
79.05468	0.9
81.03420	2.6
81.07039	3.5
83.04977	26.7
83.06088	14.1
84.08143	2.0
85.02892	17.5
86.09699	0.9
87.04461	1.6
93.07071	1.3
95.04929	0.8
95.06084	1.9
95.08598	1.1
97.02895	5.6
97.10157	0.8
98.97575	3.0
99.04465	1.1
101.06009	100.0
102.06357	1.0
104.10723	2.4
105.07033	0.8
109.02850	1.9
109.06519	0.8
109.07590	0.7
109.10152	0.9
110.07170	5.3
111.04427	0.8
112.07590	6.4
115.03980	0.7
116.07087	1.3
116.98624	3.9
119.01856	2.0
119.07027	4.7
120.08108	2.8
121.06508	2.2
127.03902	4.0
128.07109	1.2
128.08220	2.2
128.47804	0.7
128.98555	1.1
131.00322	1.0
134.99644	2.7
137.08083	11.8
137.63467	0.8
138.05457	6.5
138.09132	2.5
140.07016	1.4
143.00162	0.9
145.03583	0.8
145.04886	1.7
146.99672	1.8
149.01239	1.1
155.07047	1.1
156.10208	2.1
158.99693	1.0
161.02905	1.1
167.07062	0.9
168.06602	1.6
177.00713	1.4
178.04848	0.9
184.07324	1.1
185.02943	1.6
187.04300	1.1
189.00725	1.0
189.12349	1.7
191.02029	0.8
193.03497	0.9
195.08052	0.9
196.04211	0.9
197.12787	1.1
202.04991	0.9
203.03938	1.1
203.05727	0.9
204.97887	1.2
212.13957	8.1
219.01674	1.3
221.04950	1.0
223.01176	1.2
237.02711	1.6
254.14999	1.9
258.14490	2.5
266.99841	1.2
276.07266	1.1
279.05478	2.2
281.14972	1.1
282.09732	1.3
283.02832	1.2
287.06064	1.2
288.05530	1.1
299.05722	4.3
299.10034	4.1
299.17087	15.9
300.10690	2.4
300.15497	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	299.1336
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.03926	2.9
55.01862	1.3
55.05299	0.9
55.05505	10.8
56.05027	2.2
56.96569	4.9
57.03433	10.5
57.07068	1.4
58.31252	0.9
59.04986	4.5
61.02910	4.5
61.18757	0.9
67.05495	1.2
69.03425	5.6
69.07049	3.9
70.06589	5.2
70.41136	0.9
71.04996	15.4
71.58865	1.7
73.02910	8.2
77.02464	1.0
79.05479	1.0
81.03404	3.1
81.07040	3.7
83.04980	23.6
83.06094	21.9
84.08144	2.1
84.96035	1.2
85.02905	14.3
85.06530	2.0
85.51616	0.9
86.03217	1.4
87.04375	1.0
93.07033	1.1
93.28389	1.0
95.04945	1.6
95.06071	2.7
95.08610	2.3
97.02897	6.4
98.97568	3.6
99.04480	1.5
101.06010	100.0
102.06335	1.7
104.10741	2.5
109.02837	1.9
109.10109	1.2
110.07141	4.8
112.07610	7.2
115.03909	1.6
116.98595	3.4
119.01870	2.2
119.07033	6.6
120.08080	3.3
121.06491	3.5
127.03907	2.7
128.02296	1.3
128.08173	2.0
128.98611	1.1
131.01831	1.1
134.99654	2.1
137.08095	11.0
138.05511	7.7
138.09103	2.4
140.07010	2.9
145.03491	1.4
145.04918	1.7
146.99590	1.3
155.07004	0.9
156.10123	1.4
157.03423	1.3
161.01208	1.3
161.02969	1.5
168.06555	4.0
173.02875	1.0
177.00681	1.2
179.02026	1.1
184.07330	2.3
185.03017	1.5
189.00706	1.2
189.12302	1.2
191.02112	1.1
194.04344	1.2
196.56348	1.2
203.04010	1.2
203.07626	1.4
204.97809	1.3
212.13974	8.3
214.15581	1.2
219.01797	1.1
237.02905	2.3
239.14868	1.1
254.15013	1.0
258.14456	2.1
279.05560	1.4
281.15009	1.1
282.09622	1.1
287.06235	1.6
299.05338	6.7
299.09814	2.9
299.17072	22.5
300.10806	3.2
300.15463	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	299.1278
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
52.95273	0.5
54.94086	0.6
55.01854	0.8
55.05496	2.2
56.96558	0.8
57.07078	1.1
58.06593	1.4
58.47954	0.6
59.46334	0.5
67.05516	2.9
68.05834	0.7
69.03435	0.7
69.07065	2.2
70.76335	0.7
70.76672	2.0
73.86266	0.6
79.05493	1.8
81.07058	3.2
83.04966	0.8
83.08623	1.8
91.05445	1.1
93.03438	0.6
93.07024	0.9
95.04967	1.4
95.08610	2.4
97.10175	1.3
105.07059	1.4
107.08588	0.8
109.10140	1.0
115.05449	0.7
116.98550	0.9
119.08594	1.3
123.11708	0.7
128.06223	0.9
128.30573	0.6
131.04860	1.1
131.08659	0.7
134.99655	1.6
141.07008	2.3
147.04410	2.1
152.06174	1.4
153.07037	1.1
157.06531	0.8
159.08067	0.9
161.06026	0.9
165.06976	2.7
167.08498	1.0
168.05699	0.9
169.06474	9.5
173.06128	0.7
178.07733	5.3
179.08545	1.0
181.06494	2.2
182.07272	1.0
183.04329	0.7
183.08109	1.4
184.05276	1.6
184.08775	3.2
185.06020	1.7
187.07600	1.2
191.08563	1.1
193.10129	3.5
195.08116	2.9
196.05263	1.5
197.05986	11.7
197.09517	0.6
198.06699	2.4
199.07545	0.9
200.04620	1.3
201.05478	1.8
202.06122	0.8
202.07794	1.8
203.08551	2.0
205.06424	1.6
206.07286	1.7
208.05338	0.7
209.05994	0.9
209.09653	1.9
210.06754	3.1
211.07596	2.1
211.11200	0.9
213.05470	1.7
214.06227	1.6
215.07007	9.6
219.08061	1.2
220.08762	1.3
221.09607	4.4
223.07573	4.9
225.05478	2.7
225.09236	0.7
226.06320	2.0
227.06929	1.0
228.04156	0.7
229.05128	0.8
229.08636	1.1
231.08253	0.9
237.05513	1.7
237.09091	1.5
238.06213	3.8
238.09895	1.4
239.06952	1.3
239.10641	1.6
241.04967	1.6
241.08615	3.5
243.06555	5.4
249.05415	1.3
249.09084	1.9
251.06990	1.5
252.96336	1.0
253.12303	1.0
255.06541	1.2
255.10136	1.4
256.10880	8.1
258.08966	1.4
265.04944	0.9
266.05716	3.6
267.06378	1.1
267.10272	1.4
269.04510	1.6
269.08179	1.7
271.05869	0.7
280.26379	2.4
281.26627	7.6
283.06033	2.6
284.06772	4.8
284.10446	11.0
285.07443	0.8
293.98962	0.9
299.05688	3.2
299.09201	26.3
299.12772	100.0
299.19992	2.2
300.09708	1.1
300.13126	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
52.37801	0.7
55.01856	0.9
55.05511	1.1
56.96553	1.3
57.07076	1.1
58.06596	0.8
59.04993	1.4
67.05521	1.9
68.66756	0.6
68.99803	0.8
69.07063	1.7
71.04983	0.7
79.05484	1.3
81.07061	4.3
83.04925	1.2
83.08602	1.2
85.02890	1.2
85.06509	0.9
91.05470	3.6
93.07033	2.1
95.04986	1.2
95.08604	3.3
105.07020	2.7
107.04935	2.2
107.08573	2.0
109.06495	0.9
109.10145	1.0
111.04413	1.0
115.05476	0.9
119.04878	0.8
119.08567	1.7
121.06528	1.0
121.10123	1.9
123.04419	2.8
125.05958	1.0
129.07051	1.2
131.08553	1.0
133.02794	0.8
133.10109	1.0
134.03671	0.9
134.99698	1.1
135.08032	1.0
137.05951	1.8
145.06419	1.0
145.10139	1.3
147.04388	6.2
147.11674	1.6
151.03900	2.2
151.07611	0.9
152.06216	2.0
153.06990	1.5
154.07709	0.8
157.10052	1.1
159.08017	1.7
160.90648	0.8
161.05968	3.8
165.06963	3.0
168.05681	1.0
169.06477	1.9
169.10251	1.1
173.05988	2.7
173.09561	0.8
175.07545	1.8
176.72989	0.7
177.00682	0.9
178.07704	3.7
179.08546	2.5
180.05728	2.4
181.06473	4.3
182.07271	0.7
183.07983	2.0
184.05194	1.1
185.06012	1.3
186.06779	1.3
187.07510	2.4
193.06581	1.4
193.10097	4.5
195.08076	1.9
196.05144	1.6
197.05975	10.7
197.09619	0.8
198.06767	7.5
199.07487	3.8
200.08234	1.1
201.05426	1.4
203.08598	2.4
206.07222	1.7
206.43210	0.8
207.08090	2.0
209.05893	1.1
210.06728	7.0
211.07545	8.2
211.11221	0.7
212.08162	1.2
213.05457	3.2
213.08908	1.9
214.06248	3.2
215.07008	5.1
220.08704	0.8
221.05913	2.2
221.09595	5.9
223.07474	1.3
224.08327	2.3
225.05487	3.6
225.09041	1.7
226.06233	7.6
227.07036	5.5
228.07718	0.9
229.08589	2.6
231.08052	1.0
235.11162	0.8
237.05394	2.6
238.06297	5.9
239.06996	3.8
239.10681	4.2
240.07747	4.7
241.04909	3.0
241.08588	2.7
242.05775	4.4
243.06506	12.6
249.05553	2.5
249.09077	3.2
250.09758	0.9
251.10570	0.9
253.12308	1.2
255.06427	2.1
256.07437	1.5
257.08084	30.8
257.11099	1.0
258.08832	9.9
265.04962	0.9
266.05753	6.1
267.06491	3.1
267.10062	2.2
269.04419	4.2
271.06009	1.1
271.09570	0.7
271.13254	2.2
281.11819	1.8
283.06073	8.1
284.06708	7.7
284.09665	1.1
299.05624	5.1
299.09155	43.5
299.12753	100.0
300.09506	2.2
300.12961	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.01875	1.2
55.05495	1.3
57.07065	1.2
59.04977	1.2
59.50903	0.5
60.42784	0.6
65.03946	0.7
67.05500	1.8
67.42423	0.6
68.99790	1.1
69.03419	1.4
69.07059	1.0
70.76936	1.2
78.96983	0.5
79.05483	1.8
81.07057	1.6
83.08615	1.3
85.02893	0.7
91.05465	3.0
93.07014	0.9
95.04955	1.9
95.08603	1.7
97.06518	0.5
103.05457	1.4
105.03375	0.9
105.07018	1.2
107.04945	8.6
109.02879	1.1
109.06495	1.5
109.10165	0.9
111.04433	1.1
115.05455	1.4
117.06991	0.6
119.01876	0.8
119.04900	1.3
119.08566	1.1
121.06516	0.8
122.03644	1.1
123.04426	5.8
125.05903	0.8
128.06209	0.7
129.06987	1.1
131.04887	0.9
133.02863	4.0
134.03621	2.0
135.04376	3.2
137.05971	7.2
141.06963	1.8
144.05667	0.6
145.06525	0.6
146.03590	0.7
147.04393	24.5
148.05212	0.8
149.05972	1.1
151.03914	1.6
152.06221	2.6
153.07001	1.6
155.08522	1.0
157.06476	0.7
160.05179	1.4
161.02995	1.2
161.05977	4.7
162.03111	2.0
165.05479	4.3
165.07005	3.7
168.04245	1.0
168.05627	1.2
169.06491	2.1
172.26315	0.6
173.05988	1.8
175.03941	0.7
175.07574	1.0
177.05449	6.4
177.06903	0.9
178.07739	3.9
179.08562	1.5
180.05664	1.9
181.06477	4.1
182.07289	0.7
183.08043	2.3
184.05177	1.1
185.05978	3.5
186.06790	1.1
187.07539	1.8
193.06483	1.8
193.10178	3.7
195.08075	1.4
196.05173	2.5
197.05980	9.8
198.06743	7.6
199.07503	3.3
200.04631	0.6
201.05380	1.3
202.07741	0.8
203.06964	0.7
203.08611	1.6
205.06541	0.8
206.07259	1.5
207.08047	1.0
209.05954	1.4
210.06775	7.2
211.07533	10.3
212.08279	1.2
213.05457	5.8
213.09117	1.0
214.06259	3.1
215.07008	4.2
216.81032	0.6
221.06015	2.5
221.09650	5.3
223.07510	1.4
224.04750	0.9
224.08325	2.2
225.05553	3.8
225.08981	2.6
226.06198	6.4
227.06956	6.1
228.07668	1.6
229.08525	3.0
230.09424	1.1
231.08070	1.8
234.06816	0.9
235.07460	0.9
237.05431	4.2
238.06210	7.7
239.06970	6.0
239.10635	4.1
240.07779	4.9
241.04919	15.3
241.08560	3.5
242.05661	4.1
243.06508	12.6
243.10202	1.0
249.05495	1.8
249.09174	2.3
251.10641	0.6
253.04938	0.8
253.08441	1.0
253.12357	0.7
254.05743	0.6
255.06543	3.8
256.07275	2.0
256.10938	0.6
257.08057	32.3
258.08832	9.8
265.04922	1.7
266.05698	8.7
267.06613	5.7
267.09769	3.1
269.04431	18.8
269.07477	1.3
270.04947	1.0
270.08820	0.7
271.06030	0.8
271.09619	1.3
271.13327	2.5
281.11658	1.4
283.02908	0.8
283.06003	14.9
284.06754	21.1
284.09891	1.3
285.07294	1.0
299.05774	2.5
299.09131	91.1
299.12756	100.0
300.06122	0.8
300.09476	2.7
300.12909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03949	0.3
54.07981	0.3
54.63290	0.4
55.01870	1.0
55.05515	0.6
56.96569	0.5
57.07079	0.4
60.16082	0.3
67.05510	1.3
67.70024	0.3
68.99792	0.5
69.07066	1.2
70.02277	0.8
70.02686	1.6
79.05488	0.8
81.03452	0.4
81.07056	2.9
83.08630	0.5
85.02911	0.4
88.19286	0.4
91.05483	1.7
93.07030	1.9
95.04999	0.4
95.08601	2.4
97.02885	0.6
97.10139	0.5
98.97574	0.4
102.34527	0.3
105.03388	0.5
105.07024	1.3
107.04951	2.3
107.08578	1.3
109.10148	1.4
117.06992	0.6
119.08568	0.8
120.00985	0.3
121.02868	0.4
121.10134	0.7
123.04465	0.5
129.06989	0.5
131.01334	0.5
131.04961	0.4
131.08565	0.6
133.02823	2.0
133.10115	1.0
134.03635	1.8
135.04428	1.3
135.11676	0.8
137.02341	1.2
137.05963	1.0
141.01848	0.7
141.06982	0.6
143.08516	0.5
145.10088	0.7
147.04404	5.8
147.11737	0.4
149.05974	0.5
150.03114	0.7
153.06953	0.4
157.06525	0.5
157.10172	0.6
159.11797	0.5
160.05203	0.5
161.09639	0.4
161.13264	0.8
162.03088	0.9
165.01836	1.1
165.06993	0.9
168.05684	0.7
169.06520	0.7
169.10156	0.6
171.04425	0.4
171.11716	0.4
173.13214	0.4
175.07570	0.5
175.14708	0.4
177.05443	2.6
181.06485	1.3
182.07274	0.8
183.02910	2.7
184.05235	1.4
185.05956	2.3
187.03909	0.5
187.07527	0.7
195.04405	0.5
195.08125	0.5
196.05196	2.6
197.06007	2.2
198.06804	0.6
199.03963	0.5
199.07578	0.7
200.04666	1.1
209.06094	1.2
210.06757	7.0
211.04022	0.6
211.07509	1.1
212.04611	0.4
213.05463	3.1
214.06189	0.5
215.06972	0.5
220.05139	0.7
221.05962	3.7
223.07613	0.7
225.05435	1.5
227.03459	0.7
227.07074	1.2
228.04173	3.2
229.04881	1.4
235.07541	0.5
237.05447	6.0
238.06241	14.4
239.03471	2.5
239.07004	3.5
241.04968	6.4
241.08661	0.5
242.05707	0.4
243.06454	0.8
249.05458	4.8
253.04854	0.5
253.08621	0.8
255.02774	0.7
255.06563	3.2
256.03528	0.8
256.07138	1.2
263.23703	0.8
265.04889	2.9
266.05725	15.8
267.02902	12.7
267.06451	5.6
267.09714	0.4
267.10284	0.4
268.03311	0.7
269.04471	7.2
269.07965	0.9
271.05954	2.1
271.08923	0.4
281.04468	1.4
281.08093	0.5
283.02878	0.9
283.06000	15.6
284.03220	3.9
284.06796	18.2
285.07410	0.6
299.05545	25.4
299.09152	100.0
299.20050	1.5
300.05899	1.4
300.09521	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.01968	0.3
50.62195	0.4
55.05503	0.8
56.48079	0.3
57.03429	0.5
57.07068	0.4
67.05486	1.3
68.99784	1.1
69.07059	0.5
69.40575	1.7
69.41004	1.3
71.04983	0.3
79.05462	0.9
81.07066	2.4
83.04937	0.4
83.08611	1.0
85.02869	0.6
85.06566	0.4
91.05455	1.6
93.07029	1.2
95.04929	0.4
95.08595	1.8
97.06525	0.5
97.10146	0.4
98.97578	0.6
100.11243	0.7
100.36448	0.3
105.07014	1.0
107.04953	2.2
107.08563	0.6
109.06516	0.6
109.10149	1.2
111.11740	0.4
116.98615	0.4
119.08558	0.8
121.06463	0.9
121.10132	0.7
123.04389	1.1
123.08040	0.4
123.11703	0.4
127.03114	0.4
129.06975	0.3
131.04947	0.8
131.16827	0.3
133.02838	2.0
133.10165	0.5
134.03627	1.6
134.99590	0.4
135.04398	1.0
135.11713	0.5
137.05952	0.7
137.13222	0.5
145.10205	0.4
146.03574	0.9
147.04402	5.5
147.11691	1.2
150.03116	0.5
153.06914	0.7
157.10194	0.4
159.11667	0.5
160.05188	0.7
161.09660	0.4
162.03081	0.6
163.03822	0.4
168.05649	0.5
169.06421	0.5
170.99612	0.4
171.04405	0.4
171.07883	0.3
175.03911	0.5
176.04707	0.6
177.05391	1.3
181.06480	3.0
182.07217	0.8
183.11664	0.4
184.05206	1.5
185.05995	2.5
187.07486	0.5
189.00650	0.4
191.00208	0.5
196.05118	2.6
197.05995	1.8
199.07542	0.8
200.04662	0.6
205.68661	0.3
209.05934	1.2
210.06735	7.1
211.07507	0.8
213.05396	3.1
215.07025	0.5
220.05196	1.0
221.05940	3.4
225.05399	0.8
226.05920	0.3
227.07025	1.5
228.07855	0.6
229.04912	1.0
237.05449	5.4
238.06232	16.2
239.06892	2.5
241.04947	5.4
241.07312	0.3
242.28015	0.3
249.02975	0.7
249.05406	4.6
250.05849	0.3
253.04860	0.5
255.06541	3.6
256.07294	1.2
265.04965	3.4
266.05719	17.7
267.06476	6.9
269.04456	7.4
271.05927	0.7
283.03256	0.4
283.05975	15.0
284.03470	1.0
284.06744	18.3
285.07440	0.7
299.09106	100.0
299.20239	1.5
300.09424	3.6
315.05005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0912
Annotation	Kuhlmannin
Peak:m/z	Relative Intensity
62.51012	0.3
68.99795	0.6
70.02512	1.9
70.95712	0.3
96.21217	0.4
100.60792	0.3
107.04958	1.8
133.02829	2.1
134.03595	1.5
135.04448	0.9
145.40166	0.4
146.03615	0.7
147.04408	4.5
148.04874	0.4
160.05132	0.5
161.41408	0.4
162.03198	0.7
171.04393	0.5
177.05463	1.1
181.06462	1.5
182.07291	0.9
184.05197	1.7
185.05997	2.0
192.05730	0.4
196.05185	2.5
197.05965	0.9
199.07484	0.7
209.05904	0.8
210.06735	6.9
210.99124	0.4
211.07480	0.7
213.05499	2.2
214.06183	0.5
220.05223	0.9
221.05984	3.9
225.05548	0.5
227.06926	0.9
237.05446	5.4
238.06252	14.7
239.07004	1.7
241.04956	5.2
249.05440	4.7
253.05000	0.4
255.06483	3.1
256.07297	0.8
265.04849	3.1
266.05734	15.7
267.06488	5.6
268.06955	0.4
269.04477	5.9
269.07224	0.7
271.06012	0.6
283.06006	14.2
284.06772	18.8
290.00449	0.4
299.09131	100.0
300.09509	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	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.19256	0.2
55.01856	0.4
55.05495	0.5
56.96029	0.2
56.96545	0.3
57.03432	0.4
57.07058	0.6
58.06568	0.5
65.04032	0.2
67.05476	1.1
68.15676	0.2
68.99767	0.5
69.03423	0.6
69.07055	0.8
69.51003	0.2
71.04961	0.3
77.84093	0.3
79.05462	0.8
81.03389	0.3
81.07057	1.9
83.08614	0.6
85.02905	0.4
85.06475	0.4
87.19002	0.2
89.02400	0.2
91.05458	0.9
93.07031	1.3
95.04933	0.5
95.08614	1.7
105.06999	1.1
107.04976	1.7
107.05573	0.4
107.08577	1.3
108.02013	0.4
109.06484	0.4
109.10139	0.9
115.05447	0.4
116.71175	0.3
117.06950	0.3
119.04910	0.5
119.08552	0.8
121.02808	0.4
121.06470	0.7
121.10149	0.9
123.04406	0.3
123.11664	0.4
129.06972	0.6
131.08569	0.4
132.05690	0.5
133.02820	0.7
133.10086	0.7
134.03630	0.7
135.04404	0.4
135.08121	0.4
135.11659	0.4
137.02322	2.4
137.05959	0.7
137.09479	0.4
143.08530	0.4
145.06445	0.5
145.10130	0.4
147.04381	2.1
147.11708	0.6
148.05200	1.4
150.03180	0.3
157.10139	0.3
161.06007	0.5
162.03049	1.2
163.03894	0.8
163.07533	0.5
165.06985	0.5
167.03392	3.2
168.05501	0.3
169.06458	0.4
173.05989	0.4
173.35448	0.3
175.07454	0.3
177.05452	0.4
181.06433	0.9
181.69138	0.3
182.07097	0.3
183.08005	0.3
184.05257	0.5
185.05922	0.8
196.05179	0.9
197.05934	1.2
197.13226	0.5
198.06432	0.4
199.07500	1.2
209.06023	0.4
210.06741	3.2
211.07466	0.6
212.04587	0.3
213.05453	1.7
220.05203	0.4
221.05937	1.2
225.05420	0.5
225.09094	0.3
226.06041	0.4
227.07060	1.4
237.05449	11.5
238.06215	8.0
239.06824	1.5
239.10733	0.5
240.07811	0.3
241.04933	2.6
242.05676	0.4
243.06589	0.3
243.10162	1.6
249.05435	1.1
252.04118	0.5
253.05042	1.3
255.06525	9.3
255.09415	0.4
256.07217	1.1
256.11066	0.5
265.02213	0.5
265.04941	8.1
266.05719	12.6
266.99881	0.4
267.06506	4.1
267.09433	0.4
268.06952	0.4
269.04440	4.2
271.05807	0.5
283.06003	23.5
284.06766	9.4
285.07095	0.5
299.09073	100.0
299.19949	1.6
300.09546	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0551
Annotation	Sophorophenolone
Peak:m/z	Relative Intensity
54.75662	0.3
55.01867	6.7
56.96552	0.4
57.07043	0.5
59.04983	0.8
65.03920	0.4
67.05472	0.6
68.99446	0.4
68.99783	3.6
69.03390	1.1
69.07024	0.7
71.58826	0.4
79.01852	2.2
81.03410	2.3
81.06996	1.2
91.05464	0.5
92.99724	1.3
93.07002	0.8
94.88354	0.3
95.04893	0.3
95.08556	0.5
97.02843	1.0
97.06416	0.3
97.10133	0.3
99.00782	1.6
105.06995	0.4
107.04919	1.5
107.08530	0.6
109.02833	0.5
109.10085	0.4
116.98576	0.6
119.08522	0.7
123.00840	0.4
123.11703	0.3
133.10118	0.5
134.99667	0.5
135.04391	1.0
137.02328	4.4
141.01813	15.6
141.07027	0.4
147.04446	2.2
147.11674	0.4
155.03314	1.0
165.01823	37.1
169.06386	0.6
171.04343	0.5
177.05486	0.5
181.05130	0.4
183.02875	63.5
184.03224	0.9
185.05925	0.5
197.05974	2.3
199.03818	1.7
199.07483	0.4
201.05530	0.5
210.06769	0.8
213.05444	0.8
221.06049	0.7
222.29459	0.3
225.05449	1.0
227.03409	1.1
227.07222	0.4
229.04892	1.8
237.05571	0.7
238.06201	2.5
239.07079	0.6
241.04933	1.6
243.06641	0.4
249.05440	0.8
253.04935	3.4
255.06493	0.4
265.04938	0.7
266.05713	2.6
267.06543	0.9
269.04419	1.8
271.05927	0.4
281.04434	23.2
283.05988	3.3
284.06686	3.1
299.05560	100.0
299.09134	20.0
300.05942	2.8
300.09128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0549
Annotation	5-Hydroxypseudobaptigenin
Peak:m/z	Relative Intensity
53.45773	0.3
55.01860	0.6
55.05510	0.8
57.03437	0.3
57.07063	0.5
67.05501	0.7
68.99782	2.2
69.03449	0.6
69.07069	1.1
70.23434	0.5
70.23813	0.8
71.01336	0.8
71.08643	0.6
72.98116	0.3
79.05492	0.7
81.07059	2.3
83.08619	1.0
88.11232	0.3
91.05476	1.1
91.47277	0.3
93.07040	0.9
95.04981	0.5
95.08592	1.7
97.02884	0.5
97.06512	0.6
97.10159	0.3
99.04491	0.4
100.11233	0.5
105.07047	1.3
107.04947	0.7
107.08585	0.8
109.02946	0.4
109.10158	1.3
110.10489	0.3
115.05495	0.6
119.08576	1.1
121.02880	1.9
121.10175	1.0
123.04455	0.9
123.11682	0.9
128.06239	0.6
128.21606	0.3
131.04907	0.4
131.08557	0.6
133.10118	1.0
134.03679	0.4
134.99641	0.4
137.05980	0.6
141.06975	1.8
141.11557	0.3
143.04979	0.6
143.08617	0.5
144.05701	0.6
145.06483	0.4
145.10062	0.7
147.04398	2.1
147.11646	0.7
153.06999	0.6
155.04906	0.6
157.06430	0.6
157.10132	0.4
159.08008	0.6
159.11765	0.4
161.05962	0.5
161.09567	0.4
168.05705	0.6
169.06514	1.3
171.04414	0.4
171.08034	0.5
172.05173	2.4
173.05974	0.4
175.07529	0.7
177.05434	0.4
181.06461	1.6
182.07312	0.4
184.05180	3.1
185.05942	0.6
186.03108	0.8
187.03938	1.1
187.07542	2.7
187.14859	0.4
193.84808	0.3
196.05261	0.5
197.05946	6.9
199.07573	0.7
200.04677	1.8
201.05455	1.2
209.06081	0.6
210.03156	0.6
210.06750	1.0
211.03961	0.5
212.04691	1.1
213.05525	1.0
215.07016	0.5
216.04149	1.6
221.05914	0.4
224.04721	0.5
224.11400	0.4
225.05496	1.0
227.07037	3.2
228.04150	4.7
237.05511	0.9
238.02646	0.9
238.06192	2.4
239.07091	0.6
240.04150	2.2
241.04951	1.3
243.06508	23.3
244.03954	0.4
244.06967	0.7
249.05449	0.8
254.05598	0.4
255.06525	0.9
256.03619	0.9
257.04480	0.6
265.05173	0.7
266.05679	2.4
267.02759	0.4
267.06519	1.3
269.04413	1.1
271.05994	32.7
272.06308	0.5
283.05954	3.3
284.03186	16.1
284.06750	2.9
285.03473	0.4
299.05551	100.0
299.09109	18.2
299.20056	1.3
300.05899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
55.05410	0.5
62.80719	0.3
64.07492	0.3
67.05396	0.5
69.06944	0.7
69.07284	0.3
69.42439	1.9
79.05365	0.4
81.06902	1.1
83.04870	0.4
83.08500	0.4
85.21933	0.3
91.05348	0.4
93.06905	0.9
95.08445	1.1
105.06918	0.5
107.04852	0.5
107.08487	0.5
109.10045	0.6
111.13143	0.3
117.05491	0.3
119.01822	0.6
119.08452	0.4
121.10057	0.5
131.01166	0.4
139.05281	0.9
143.01778	0.3
145.10060	0.4
147.04282	0.9
155.04817	0.7
161.02867	0.6
164.10434	0.3
166.09998	0.4
172.05081	0.4
183.04327	0.5
184.05049	1.1
185.05779	0.3
187.07451	0.8
188.93469	0.3
195.02943	0.4
195.04416	4.5
196.04964	0.6
197.05963	0.4
200.04617	0.5
210.06680	0.8
211.03987	1.5
212.04671	2.3
212.34119	0.3
227.03497	0.4
227.07056	1.4
228.01962	0.5
228.04172	10.0
237.05515	0.6
238.06262	1.5
239.03397	11.4
240.04054	0.9
241.04887	0.9
243.06551	3.3
249.05373	0.5
255.06436	1.0
256.03592	2.0
265.04984	0.6
266.05716	1.4
267.02872	100.0
268.03467	2.8
269.04443	0.8
271.06000	4.8
281.19391	0.3
283.05917	1.9
284.03149	3.2
284.06790	2.2
299.05548	80.0
299.09082	11.7
299.19980	1.0
300.05908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
50.16308	0.9
50.87286	0.8
53.03934	1.5
55.01869	1.4
55.05510	14.7
56.05034	5.5
56.96563	3.3
57.07075	9.8
58.02938	1.3
60.04511	4.5
61.62086	0.9
65.03929	0.9
65.06013	0.9
67.05500	22.6
68.05033	1.9
69.07067	14.9
70.04060	0.8
70.40627	3.8
71.08622	8.6
72.08147	1.4
79.05487	10.7
80.04547	0.9
80.05007	2.8
81.07055	26.6
82.06573	7.2
83.04991	2.1
83.08617	11.4
85.10178	2.7
86.06053	2.2
91.05477	7.2
93.07053	9.5
94.06556	3.4
95.04941	2.3
95.08610	17.9
96.08107	1.2
97.06493	1.1
97.10169	6.5
98.06041	2.0
98.97579	7.0
100.07614	1.9
105.07028	4.2
107.04936	1.3
107.08605	6.8
109.10150	9.1
111.11756	2.1
112.07631	1.1
116.98611	9.0
119.08565	4.3
121.10165	5.2
123.11682	3.6
125.13280	1.7
133.10132	2.7
134.99673	10.1
135.11716	2.9
137.09515	0.9
141.12724	1.9
147.04393	9.5
147.11705	1.9
149.13275	1.8
151.14864	1.2
153.00720	2.9
155.14314	1.6
158.01242	1.4
161.13188	1.6
162.36122	0.9
213.05421	0.9
232.96465	1.2
238.06310	1.3
245.22644	2.5
250.25272	7.2
256.96515	1.5
262.25357	3.5
263.23703	4.0
266.05807	2.6
274.97516	8.1
280.26346	100.0
281.24631	1.5
283.05902	2.8
284.06784	3.0
292.98462	7.3
297.98996	1.8
298.10895	1.7
298.14120	1.8
298.27444	9.3
298.30707	1.6
299.05801	1.9
299.09064	15.7
299.25815	3.5
316.00101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.96572	0.9
57.03426	1.2
59.05002	100.0
61.02924	1.3
69.03434	3.4
71.41916	1.3
73.02915	1.6
81.03436	1.0
83.04981	1.5
85.02901	7.3
90.12971	0.7
97.02898	4.6
98.97636	1.3
101.06019	95.4
105.09966	0.8
110.62609	0.8
116.98663	1.1
119.07056	47.7
127.03949	1.5
136.06219	1.1
136.09697	5.1
137.88263	0.8
139.07564	0.7
142.08658	2.3
142.58540	0.7
145.04987	2.0
150.74544	0.8
157.73665	0.8
166.07254	7.2
166.08276	0.7
167.05627	1.0
174.04425	0.9
180.08649	4.1
237.02841	1.1
242.38342	0.8
299.06378	1.2
313.02905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75538	1.0
55.05262	1.2
55.05502	12.8
56.05024	6.3
56.05269	1.1
56.96559	26.3
57.07054	2.5
57.41237	1.0
58.02954	2.5
60.04506	2.7
65.03928	3.1
66.33924	1.0
67.05500	39.2
68.05004	1.6
69.07063	12.3
71.00942	1.5
71.01289	2.1
71.08627	1.6
79.05493	11.2
80.05010	2.3
81.07043	13.9
82.06567	7.4
83.08622	5.5
86.06063	2.8
91.05460	5.1
93.07036	7.1
94.06567	2.8
95.04961	2.4
95.08604	12.5
96.08112	1.5
97.10159	2.7
98.06049	1.3
98.97578	2.6
100.07584	1.2
105.07037	3.4
107.08594	2.8
108.08064	1.8
109.06522	1.2
109.10132	4.4
116.98609	4.4
116.99360	1.1
119.08570	3.1
121.10090	4.1
122.09625	1.4
123.11662	1.4
133.10100	2.7
133.91266	1.1
134.99643	2.1
135.11607	1.5
176.01915	1.1
176.53520	1.8
181.52573	1.3
182.68939	1.2
188.03047	3.3
188.53404	1.5
189.52550	1.3
190.02802	2.4
194.03046	1.1
197.03554	1.8
198.52893	1.2
201.03802	3.8
201.54219	1.3
202.02765	1.7
203.03583	2.0
204.02548	2.1
208.02635	1.9
210.04385	1.6
210.54765	2.1
212.03815	1.8
213.03076	3.2
215.53642	3.1
220.03955	1.8
220.54185	2.1
224.54355	1.7
225.04430	1.2
236.05812	3.6
237.05714	1.4
245.06425	5.0
250.25201	7.0
250.97563	1.1
254.07034	12.6
254.57126	4.8
256.57214	3.6
257.07361	1.9
262.25269	3.0
263.07516	86.0
263.57663	33.6
264.07770	4.6
265.57770	12.8
266.05634	1.5
266.08154	1.5
269.04395	1.8
274.58292	35.2
274.97385	4.6
275.08527	12.0
275.58749	2.9
277.08643	5.3
277.58585	1.2
280.26337	100.0
281.26666	2.7
283.05972	1.3
284.06592	1.3
286.08990	6.4
286.59250	1.5
292.98511	3.0
295.07690	1.4
297.60107	1.5
298.27359	1.8
299.09174	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	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	13.1
57.54919	1.4
58.11780	1.3
60.34120	1.4
64.78042	1.3
69.91718	5.8
69.92132	2.6
84.78904	1.3
98.21387	1.8
98.97577	70.9
116.98614	69.5
119.01896	4.1
127.35159	1.2
133.98129	1.4
134.99644	44.4
137.02885	2.3
140.00146	1.6
142.03444	1.7
152.69531	1.4
153.00691	8.1
158.01187	3.1
159.68587	1.3
172.94290	3.7
175.97482	1.2
177.00969	5.3
190.95345	4.9
208.92493	1.3
208.96376	3.8
214.95392	2.7
217.98843	1.5
219.01993	12.6
223.67673	1.3
232.96428	7.3
234.99800	1.5
235.99902	2.0
250.97371	6.2
251.49170	1.7
251.94754	1.4
256.96442	12.0
258.96280	2.0
261.03067	7.4
262.02933	1.5
263.00021	1.6
263.49841	1.6
274.97479	93.5
275.04453	2.7
275.97656	1.5
278.61578	1.5
280.93250	3.1
292.98517	100.0
293.62439	1.3
297.99042	3.9
298.97424	2.9
316.00110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
51.86087	0.1
55.01866	0.2
57.03397	0.2
58.16116	0.1
59.94290	0.2
61.01149	3.9
61.53333	0.2
63.20304	0.1
67.05492	0.2
69.03422	0.5
69.26870	1.7
75.02696	2.0
80.82911	0.1
83.08642	0.2
85.02919	0.3
86.09692	0.2
87.04400	0.2
94.04058	0.4
95.09767	0.1
96.04498	0.2
97.02883	1.7
98.20800	0.4
98.97594	0.2
100.46861	0.1
102.00913	0.1
103.02180	0.3
104.04381	0.1
107.04932	0.2
119.03544	0.4
136.06172	100.0
137.04631	0.3
137.06657	0.8
138.05383	0.3
145.03157	1.3
150.09077	0.2
163.04227	1.5
166.05019	0.3
181.97232	0.1
243.07324	0.2
280.08215	0.2
280.12070	0.2
298.09647	5.0
299.05850	0.2
299.09302	0.3
300.06052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2787
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.05507	24.5
57.03424	1.7
57.06813	1.2
57.07070	14.3
59.04985	1.1
67.05502	35.3
69.07066	60.8
69.93504	5.4
71.08322	0.9
71.08635	8.5
71.92041	0.9
73.06497	1.0
79.05497	10.0
81.07055	100.0
83.08143	1.5
83.08619	26.9
85.06545	7.3
85.10170	3.8
87.35329	1.0
91.05455	1.8
93.07040	14.2
95.08602	83.6
96.08949	0.9
97.06509	3.1
97.10166	18.5
98.97591	1.9
99.08084	5.7
105.07020	2.0
107.04962	1.5
107.08590	15.4
109.10152	55.2
111.08087	3.6
111.11720	16.1
113.09653	1.2
119.08588	1.7
121.10118	10.9
123.04404	1.4
123.10806	1.6
123.11706	27.6
125.09612	2.0
125.13245	4.4
134.99622	0.9
135.11694	13.4
137.13255	9.6
139.11195	1.1
149.13260	12.3
151.14783	7.8
159.08052	2.2
161.06029	1.2
163.14824	7.6
165.16393	4.1
177.16393	3.8
179.17944	2.9
191.17935	3.3
205.19550	5.4
237.09084	2.3
261.25745	14.1
265.08636	2.1
266.12521	1.9
279.26797	9.5
297.03979	1.1
297.07776	1.0
297.11160	4.4
297.27823	3.0
299.06207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.7
51.02389	0.7
52.14946	0.6
53.03944	12.0
54.04283	0.5
55.01871	6.4
55.05510	20.7
56.96553	1.3
56.97657	0.5
57.03437	13.9
57.07077	8.7
59.04984	1.2
65.03947	3.6
67.05503	58.0
69.03439	2.1
69.07066	43.0
71.04990	4.2
71.08640	4.2
71.60703	0.6
73.02911	0.7
78.37826	0.5
79.05491	26.3
80.05850	0.7
81.03418	37.2
81.07056	100.0
82.03743	1.1
82.07387	2.0
83.04980	8.2
83.08620	18.8
85.06536	6.8
85.10171	1.7
91.05048	0.3
91.05476	20.3
93.07043	40.9
95.01322	1.6
95.04973	15.0
95.08605	73.9
96.08926	1.0
97.06535	5.0
97.10166	11.4
98.97575	0.8
99.04456	0.8
99.08089	4.0
101.06005	0.7
103.05469	1.7
105.07024	12.6
107.04957	25.5
107.08594	20.5
109.02871	1.2
109.06512	4.5
109.10155	35.0
110.10526	0.7
111.04410	1.2
111.08083	6.6
111.11716	9.4
113.06025	0.9
115.05473	1.2
116.98623	1.2
117.07001	10.5
119.04945	2.4
119.08578	5.3
121.06509	7.1
121.10139	10.4
123.04408	4.7
123.08074	16.0
123.11712	16.9
125.09653	0.9
125.13263	2.0
127.11147	0.9
129.07013	1.2
131.04930	1.6
131.08572	10.8
133.06464	3.5
133.10127	5.7
134.99652	2.1
135.08067	3.4
135.11693	24.8
136.12000	1.2
137.05954	1.0
137.13272	5.6
139.07561	0.8
139.11192	1.2
141.06996	5.4
143.08565	2.5
145.06474	11.1
145.10124	4.9
147.11705	1.4
149.09586	1.1
149.13260	18.6
150.13609	0.9
151.14827	4.2
153.09235	0.8
154.07759	1.5
157.10141	1.1
159.08038	3.2
159.11691	20.2
161.05989	1.9
161.09622	1.3
161.13333	0.8
163.11172	1.2
163.14804	3.4
165.16394	1.9
169.10129	6.4
169.15787	0.7
169.57588	0.6
177.12758	15.8
177.16335	1.9
178.13103	1.2
179.17990	1.5
187.11186	18.7
188.11508	1.0
191.17924	1.2
195.13800	8.3
196.14177	0.7
199.07639	0.8
205.06627	0.8
205.10577	0.7
205.12239	5.2
205.19458	2.2
211.07307	0.7
222.06703	0.9
223.13260	5.0
233.15305	0.7
237.09077	1.3
239.07092	0.6
241.14331	28.9
242.14690	1.7
251.16306	0.9
256.07239	1.5
261.25806	9.2
265.08630	2.1
266.12531	1.5
267.94632	0.6
279.10303	0.9
279.15897	16.2
279.23608	0.9
279.26797	5.1
280.16113	1.5
281.04630	0.9
282.08725	0.8
283.02740	1.0
297.07529	2.3
297.11230	7.4
297.16946	43.7
297.27936	4.1
298.11087	0.7
298.17218	2.9
299.06131	1.2
314.54898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	11R-Hydroxy-9Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	2.5
55.05267	1.3
55.05508	22.9
57.03421	3.2
57.07057	5.9
59.04985	1.5
65.03931	1.9
67.05500	37.1
69.03419	3.5
69.07063	39.3
71.04989	9.3
71.08600	2.7
71.63094	1.7
71.63538	2.2
79.05486	14.6
81.03398	3.5
81.07052	100.0
82.07355	1.5
83.04971	4.9
83.08197	1.8
83.08616	19.3
85.02862	2.0
85.06523	4.4
88.86331	1.5
90.46021	1.3
91.05454	10.0
93.07039	30.5
95.04938	3.6
95.08601	94.3
96.08944	1.7
97.02843	2.3
97.06538	6.8
97.10162	15.9
98.97558	1.6
99.04430	1.8
99.08070	4.7
100.11272	2.1
105.07042	12.3
107.04947	4.6
107.08579	28.8
109.06493	3.8
109.10152	49.1
110.10487	1.5
111.04416	1.6
111.08067	5.9
111.11710	6.2
113.09634	3.3
117.07025	2.4
119.04920	2.2
119.08590	9.8
121.02874	1.5
121.06524	1.4
121.09313	1.8
121.10136	27.9
123.04416	3.8
123.08067	4.3
123.11697	79.5
124.12032	2.2
125.09632	8.8
131.08546	4.8
133.10103	9.8
135.08047	1.8
135.11688	17.9
137.05956	1.8
137.09566	3.5
137.13210	9.2
139.11119	4.3
145.06378	1.5
145.10117	5.7
145.93777	1.4
147.04362	3.8
147.11681	10.5
149.09598	2.8
149.13263	14.6
151.11180	8.9
151.14828	5.5
153.12711	2.7
157.10094	2.0
159.08035	4.0
159.11641	6.6
161.05949	2.5
161.09648	1.3
161.13260	7.3
163.14832	14.5
165.12718	5.8
165.16380	1.8
166.07791	1.5
167.95837	1.4
169.12247	4.0
173.13239	5.5
177.01872	6.8
177.12698	2.1
177.16379	3.0
179.14293	3.8
183.13693	1.3
187.11211	1.5
187.14816	5.4
194.07266	1.6
195.02893	1.6
195.08015	1.3
195.13768	1.5
201.16379	1.5
203.18022	3.5
205.06491	3.0
205.15857	1.7
209.15221	2.2
221.05936	2.0
222.06662	3.0
223.07489	1.5
223.16954	2.8
233.22632	7.2
237.09044	6.0
241.14326	1.4
243.21049	10.8
251.10300	1.7
251.16527	1.5
251.23755	6.4
254.09274	1.5
261.22128	14.6
265.08560	9.8
266.09421	1.9
266.12576	3.5
269.08072	1.4
274.97424	1.6
279.23193	36.5
279.26324	2.1
280.10178	1.3
280.23666	1.7
282.08847	2.3
297.07516	9.6
297.11191	17.2
297.17313	5.5
298.10873	1.5
299.05981	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	297.1696
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03704	2.0
53.03943	30.7
53.82077	1.4
55.01867	13.5
55.05510	12.5
57.03431	25.7
57.07072	2.6
65.03928	2.9
67.05501	74.3
68.05822	1.9
69.03416	4.3
69.07069	11.1
70.76373	5.2
71.04971	5.1
79.05489	46.4
81.03413	72.0
81.07051	88.1
83.04636	1.2
83.04980	15.0
83.08614	7.7
85.06525	6.5
87.04465	1.7
91.05477	34.4
93.03371	1.6
93.07037	59.1
94.07362	1.4
94.50432	1.4
95.01298	4.1
95.04971	25.8
95.08601	54.6
97.02879	1.5
97.06529	9.0
97.10166	2.2
99.08089	3.2
103.05452	5.1
105.07032	19.7
107.04951	47.1
107.08575	20.9
109.06530	7.1
109.10138	7.9
111.04427	3.3
111.08070	7.5
115.05462	2.2
117.07009	21.4
119.04918	4.5
119.08566	6.5
121.06484	13.9
121.10123	6.4
123.04404	10.4
123.08055	29.1
123.11656	1.8
125.05986	2.4
129.06993	2.8
131.04918	4.0
131.08580	21.4
133.06506	7.0
133.10101	12.8
135.08049	4.6
135.11679	39.4
137.05923	2.0
137.09624	1.6
141.07021	10.8
143.08484	1.8
144.09306	2.1
145.06461	27.2
145.10094	7.9
147.04489	3.4
147.07971	2.5
148.05130	3.3
149.05977	2.5
149.09644	3.0
149.13248	23.1
154.07739	3.1
159.08026	8.2
159.10425	2.9
159.11687	37.7
161.05983	2.1
161.09613	1.5
163.11220	1.9
169.10149	12.1
177.12733	29.8
181.39352	1.6
187.11174	35.0
194.07303	1.8
195.13817	21.2
205.06499	2.2
205.12207	13.2
210.06581	2.1
215.03365	2.2
223.13254	9.8
236.08662	1.6
237.09091	4.0
238.06224	1.5
241.11882	3.2
241.14339	57.5
242.14789	2.7
250.06374	1.9
256.07327	3.9
265.08524	6.6
266.12793	2.2
269.08264	2.2
279.10107	1.7
279.15903	36.9
297.07660	3.8
297.11227	17.3
297.16940	100.0
298.17337	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	297.1695
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03947	29.6
53.81179	2.5
55.01864	11.3
55.05494	9.5
57.03436	22.0
57.07049	2.9
64.77398	2.2
67.05501	66.3
68.59718	2.1
69.03404	6.3
69.07054	14.9
69.87480	5.6
69.87885	12.9
71.04988	5.4
79.05491	38.8
81.02979	3.7
81.03416	59.2
81.07053	86.7
83.04966	11.0
83.08600	7.3
85.06521	7.2
87.04472	11.9
87.61399	2.6
91.05471	27.1
93.07043	56.3
95.01364	2.7
95.04965	27.4
95.07984	2.5
95.08601	47.7
97.06519	9.7
99.07278	2.3
99.08024	4.1
105.07028	18.5
107.04946	39.9
107.08592	18.0
109.06522	20.7
109.10132	6.4
111.08082	5.4
115.03883	6.6
117.06993	21.3
119.04908	6.9
119.08537	8.6
121.06483	14.3
121.10109	6.9
122.07239	3.2
123.04419	5.9
123.08044	25.5
125.05922	3.2
125.09608	3.2
128.06160	2.6
131.04962	3.3
131.08549	21.9
133.06483	2.9
133.10106	12.4
134.25391	2.5
135.08020	7.5
135.11691	33.5
141.06976	11.5
145.06454	19.1
145.09056	2.7
145.10104	9.2
147.11681	6.4
148.45976	2.7
149.05952	5.9
149.09637	4.6
149.13289	17.1
149.14299	3.1
153.05414	8.3
154.07817	3.0
156.09315	2.4
159.07999	4.4
159.11682	33.7
163.11189	3.7
165.12717	16.6
169.10083	12.4
175.11185	2.5
177.09082	7.0
177.12717	27.3
178.08540	2.2
178.09888	8.5
179.12703	2.3
179.32526	2.4
183.13860	2.8
187.11189	29.1
191.10660	11.1
195.13812	19.3
203.10582	3.0
205.08455	3.3
205.12212	10.0
223.09624	3.6
223.13246	10.0
233.15382	19.7
237.09116	6.0
241.14340	49.3
251.16365	11.1
261.14819	17.4
265.08679	14.0
272.67572	2.6
279.15924	64.2
282.08832	3.3
297.07846	4.2
297.11206	20.5
297.16910	100.0
298.11108	3.8
299.06116	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1695
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03944	32.0
54.36496	1.5
55.01866	11.7
55.05510	11.2
57.03180	2.3
57.03435	29.1
65.03921	4.8
67.05500	82.3
69.03421	5.3
69.07069	10.5
69.33669	17.9
71.04961	5.4
79.05491	46.8
81.03413	72.0
81.07052	100.0
82.07359	1.9
83.04975	17.0
83.08600	6.2
83.09049	1.7
85.02874	2.1
85.06530	6.1
91.05465	31.1
91.29205	1.5
93.07037	63.8
95.01320	3.1
95.04976	30.1
95.08602	57.5
97.06509	7.2
99.08078	5.0
101.06049	1.9
103.05461	3.9
105.06369	2.6
105.07030	25.0
107.04952	47.5
107.08578	20.7
109.02831	1.8
109.06508	12.7
109.10148	5.0
111.04435	2.4
111.08063	7.4
115.05419	9.2
117.07017	23.4
119.04917	6.0
119.08553	7.2
121.06512	18.6
121.10121	7.6
123.04402	9.1
123.08060	34.0
123.11720	2.1
127.07553	2.2
129.09053	1.5
131.04861	3.9
131.08566	21.3
133.06482	6.0
133.10147	13.2
135.08038	4.7
135.11693	35.6
137.05957	2.3
139.07585	1.7
141.06972	11.4
143.04889	2.7
143.08539	4.8
145.06473	25.3
145.10104	7.2
149.09557	3.1
149.13235	20.7
154.96558	1.6
159.08057	5.7
159.11685	35.6
160.05119	2.9
161.05988	51.4
161.09607	2.0
162.06265	1.7
163.11160	2.9
167.08492	2.3
169.10156	12.9
177.07036	2.2
177.12744	33.9
187.11189	39.5
194.07254	3.3
195.08054	2.0
195.13791	20.0
200.12907	1.7
205.06503	4.5
205.12184	11.4
211.07506	2.0
222.06755	2.4
223.07619	8.8
223.13280	11.8
233.06064	2.5
237.09055	6.4
237.11351	1.7
241.14323	54.1
250.06271	2.2
251.06978	11.3
251.09839	2.4
265.08490	10.7
269.07990	9.8
279.06000	2.2
279.15869	32.5
280.16299	2.1
283.74835	1.8
297.07660	6.6
297.11215	22.9
297.16931	91.1
298.17184	2.8
299.06268	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1694
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.01975	1.8
51.02366	2.1
53.03943	20.6
55.01863	9.2
55.05508	12.3
56.96553	3.1
57.03438	24.4
57.07064	3.5
59.04988	1.6
65.03919	5.5
67.05500	68.2
67.70333	1.4
69.03416	6.9
69.07064	15.6
71.04967	6.7
71.59686	2.0
73.02895	3.9
79.05488	38.6
81.03413	56.0
81.07051	89.9
83.04980	13.5
83.08616	9.8
85.02883	3.6
85.06535	8.2
87.04463	2.1
91.05465	27.2
91.50993	1.7
93.06471	3.0
93.07037	53.3
95.01317	3.8
95.04959	24.8
95.08605	55.1
97.02861	4.7
97.06529	9.7
97.10136	1.7
98.97560	3.8
99.04459	2.3
99.08058	3.7
101.06010	2.5
103.05429	2.2
105.07018	17.9
107.04943	39.4
107.08580	22.0
109.02856	1.8
109.06509	9.3
109.10148	11.0
111.04428	3.2
111.08070	8.3
113.05984	1.6
115.05471	1.8
116.98571	2.4
117.07008	17.2
119.04915	5.1
119.08569	8.6
121.06469	13.8
121.10111	11.9
123.04442	11.2
123.08059	29.2
123.11669	3.0
125.06025	2.1
125.09596	2.0
128.98569	1.7
129.06995	3.8
131.04883	5.2
131.08542	18.3
133.06474	5.7
133.10129	12.8
135.08046	7.5
135.11678	31.0
137.05948	3.9
137.09615	2.7
139.07445	2.5
139.11128	1.5
141.06964	7.3
143.08536	3.2
145.06471	20.9
145.10146	9.0
147.04410	1.9
147.08095	1.6
147.11613	4.2
149.09605	2.9
149.13257	21.2
151.07529	2.0
157.10091	3.7
159.08044	7.2
159.11682	36.6
161.05972	3.8
161.09586	2.4
161.13255	2.3
163.07391	1.6
163.11163	1.8
165.07030	2.1
165.54504	1.6
169.10085	13.7
170.99619	1.8
175.11185	1.9
177.06998	3.1
177.12717	28.9
178.05315	1.6
178.13072	1.6
187.11159	35.1
187.14743	1.8
194.07217	3.7
195.13773	17.4
205.06424	3.8
205.12201	11.0
208.58629	3.4
219.08052	2.3
222.06660	6.0
223.07419	2.1
223.13278	8.9
233.05876	2.6
233.15408	2.3
237.02785	2.2
237.09106	12.9
238.09558	1.7
241.11880	2.9
241.14311	43.0
250.06139	3.9
251.07004	3.0
254.09268	1.6
254.57693	1.6
261.14774	1.9
265.08530	16.4
266.09134	3.2
279.15891	42.1
279.22913	2.7
280.16168	3.5
282.08679	3.7
297.07498	11.7
297.11145	30.0
297.16904	100.0
298.07657	1.9
298.11307	1.5
298.17313	5.5
299.06171	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1694
Annotation	Benesudon
Peak:m/z	Relative Intensity
51.02382	1.5
53.03707	1.3
53.03944	24.5
55.01864	10.2
55.05500	12.2
57.03187	1.4
57.03435	19.7
57.07049	3.7
60.53915	1.2
65.03922	3.5
67.05499	75.1
68.33271	1.2
69.03406	4.9
69.07064	15.8
69.52135	12.1
71.01314	1.4
71.04978	4.3
71.08617	1.3
79.05486	43.4
81.03413	66.4
81.07051	100.0
83.04549	1.4
83.04981	13.4
83.08616	13.5
85.06528	5.7
85.10161	1.4
91.05475	24.2
93.07037	58.6
95.01305	3.0
95.04970	23.4
95.08600	58.3
95.09225	2.0
97.06515	8.2
97.10159	5.3
99.08077	3.1
103.05444	2.1
105.04520	1.3
105.07011	18.8
107.04951	42.4
107.05695	2.0
107.08587	21.9
109.06501	5.8
109.10147	9.2
111.08088	6.8
111.11640	1.7
115.05412	1.9
117.07011	20.8
119.04922	3.8
119.08561	6.4
121.06497	13.3
121.10149	8.0
123.04424	7.0
123.08060	31.0
123.11665	2.9
125.05909	1.3
129.06976	3.5
131.04916	3.0
131.08562	17.3
133.06464	4.4
133.10132	11.2
135.08054	3.9
135.11678	38.7
137.13235	1.8
141.06929	9.7
143.08556	4.1
145.06459	22.0
145.10114	6.3
149.09615	2.7
149.13243	22.3
154.07784	2.8
159.08067	8.3
159.11679	36.9
161.05962	2.1
161.09598	2.0
163.11172	2.1
169.10085	13.2
177.12741	28.4
179.17865	1.5
187.11176	29.4
195.13777	15.0
205.12227	11.0
223.13245	11.0
236.08197	1.5
241.14334	49.0
242.14633	1.7
247.31580	1.5
251.16292	1.6
261.25858	3.1
266.12570	1.5
279.15860	45.0
279.26678	2.0
280.16321	2.5
297.11456	2.8
297.16943	94.6
298.17230	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	297.1692
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.02366	1.6
53.03942	30.7
55.01875	10.2
55.05505	16.5
57.03431	28.1
57.07053	2.4
65.03930	3.1
67.05496	76.7
69.03405	4.6
69.07065	21.6
69.42559	2.9
69.42957	10.6
71.04977	4.6
72.56131	1.4
77.20786	1.3
79.05488	45.9
81.03410	64.8
81.07047	97.9
83.04968	13.9
83.08611	11.9
85.06516	6.0
85.54699	1.4
91.05470	27.4
93.07034	61.5
93.43844	1.4
95.01331	2.6
95.04959	27.9
95.08596	50.0
97.06504	7.9
97.10133	3.4
99.08068	3.0
100.57839	1.3
103.05479	3.5
105.07011	20.4
107.04939	51.4
107.08581	21.3
108.05295	1.5
109.02859	2.7
109.06527	8.7
109.10138	12.9
111.08061	6.5
111.11744	2.4
115.05421	2.9
117.07013	21.7
119.04886	3.3
119.08573	6.2
121.06490	12.5
121.10127	7.5
123.04412	5.9
123.08048	24.3
123.11681	4.2
125.09492	1.6
125.21709	1.5
128.06085	1.6
131.04918	3.3
131.08548	19.2
133.06451	3.4
133.10123	10.2
135.08020	4.2
135.11678	32.2
137.13202	2.0
139.07483	1.6
141.06964	7.6
143.08517	3.1
145.06476	22.4
145.10088	7.0
149.09607	2.6
149.13254	23.4
153.09047	1.6
154.07729	2.6
159.08072	5.0
159.11667	41.9
169.10133	15.6
171.03665	1.5
177.12727	31.2
181.06505	2.0
187.09494	2.9
187.11171	37.8
188.11534	2.1
195.13779	22.3
205.12213	14.2
213.53778	1.7
218.09601	1.5
223.13231	18.5
241.14307	58.4
242.14587	2.3
261.25732	3.0
279.15860	35.3
281.26193	1.4
297.07901	3.2
297.11285	5.6
297.16937	100.0
297.27954	4.9
298.17264	1.8
312.66254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1695
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03947	23.0
55.01866	9.8
55.05502	12.2
57.03437	18.4
57.07065	3.2
59.04994	1.4
65.03930	3.2
65.49762	1.5
66.23921	1.4
67.05500	66.9
68.05838	1.8
68.60889	1.4
69.03402	3.4
69.07072	15.0
71.04990	7.0
79.05488	44.7
81.03412	64.0
81.07050	81.4
83.04968	11.4
83.08626	8.9
85.02905	2.1
85.06553	7.4
91.04890	1.9
91.05470	27.6
93.07035	58.7
95.01319	4.6
95.04958	24.3
95.08601	52.9
96.08952	1.3
97.06528	7.5
97.10155	3.4
98.97566	1.3
99.04504	2.0
99.08101	3.4
99.47266	1.4
99.73737	1.4
101.05975	1.6
103.05448	2.8
105.07031	19.0
107.04952	42.4
107.08582	20.1
109.02854	2.5
109.06496	9.3
109.10151	9.1
111.04430	2.0
111.08055	5.9
113.09650	1.8
115.05441	3.4
115.80599	1.5
116.98627	1.7
117.07022	21.0
119.04910	3.9
119.08570	7.2
121.06508	14.0
121.10118	7.5
122.54989	1.5
123.04404	5.5
123.07305	2.1
123.08071	25.1
123.11702	4.0
128.94576	1.4
129.06990	3.4
130.07816	1.8
131.04871	2.8
131.08562	17.7
133.06471	3.3
133.10123	10.8
135.08035	5.3
135.11687	33.3
137.09589	2.3
137.13246	2.0
141.06981	9.6
143.08533	3.3
145.06479	23.9
145.10143	7.8
147.11641	4.3
149.09637	2.3
149.13249	16.7
154.07768	3.3
157.10068	2.3
159.08052	6.2
159.11684	33.5
161.05962	2.0
163.11127	2.7
165.06808	2.1
167.14212	1.6
169.10094	11.4
177.12756	24.0
179.08563	1.4
181.06606	1.4
187.11169	32.3
194.07155	3.2
195.13780	16.8
205.06458	4.2
205.12244	8.7
222.06676	2.8
223.13188	9.4
233.15428	1.8
237.09044	6.2
241.14331	42.8
250.06064	2.3
251.07141	1.9
251.10295	2.4
255.47670	1.5
261.22229	2.2
265.08600	12.1
266.12524	2.4
279.15903	41.8
279.22906	2.6
280.16190	2.2
280.35513	1.4
297.07697	4.1
297.11194	20.8
297.16919	100.0
298.11319	2.2
298.17242	5.7
299.06174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62809	3.2
53.03942	5.2
55.01857	13.6
55.05505	11.4
57.03432	33.6
57.07069	5.5
61.02909	13.7
66.54166	2.9
67.05492	28.2
69.03423	53.4
69.07056	16.1
71.01354	5.1
71.04973	14.4
71.59912	4.8
71.60261	3.3
72.42654	3.4
73.02911	27.7
79.05484	24.1
79.24323	3.3
81.03413	24.0
81.07050	40.8
83.04971	10.4
83.08600	5.4
84.08116	9.2
85.02419	5.0
85.02903	65.0
87.04465	7.7
91.03963	3.5
91.05457	25.8
93.07035	87.2
95.04949	17.5
95.08121	3.5
95.08607	35.9
97.02885	35.6
97.06508	10.0
99.04472	17.0
103.03917	13.9
105.07024	47.4
107.04933	8.7
107.08584	74.8
109.02882	11.1
109.06498	13.9
109.10136	24.3
111.04444	8.7
111.08051	3.8
115.03918	17.8
115.05486	4.0
117.06992	10.5
117.23055	3.5
119.05026	4.6
119.08560	37.0
121.02856	6.3
121.06499	9.3
121.10130	52.8
123.04377	9.2
123.08049	7.4
123.11687	16.0
124.07533	5.1
125.05927	5.2
127.03888	17.1
129.06984	6.0
131.08553	20.9
133.04996	3.8
133.06450	5.9
133.10118	37.9
135.05388	3.8
135.08014	11.0
135.11678	74.1
137.06023	7.5
137.09583	7.7
139.07524	4.4
141.05435	4.9
143.08566	7.5
145.04918	11.2
145.06409	3.5
145.10117	22.1
147.08018	5.3
147.11699	30.5
149.05988	4.2
149.09665	4.6
149.13237	7.3
151.11171	10.0
153.12718	30.6
155.08415	6.4
157.10081	9.6
159.08040	7.2
159.11653	18.4
161.09569	9.0
161.13269	7.9
163.07533	4.4
163.11142	12.2
165.06952	3.5
165.12744	7.8
171.11642	8.8
173.09668	4.1
173.13248	5.5
175.11223	8.8
177.12726	19.5
179.03372	17.3
183.11775	5.0
187.11179	4.0
187.14771	3.3
189.12729	10.7
193.12259	5.6
197.00880	4.3
197.04527	5.7
199.11220	4.6
201.12679	10.7
207.13675	5.1
215.14220	4.5
219.13757	10.7
225.12849	3.6
226.03777	4.3
231.13785	11.3
237.09038	5.8
243.13799	14.4
261.14813	22.6
265.08719	7.3
266.12622	5.9
279.15863	26.5
297.04160	3.4
297.07593	100.0
297.11197	13.3
297.16885	59.2
298.07635	6.6
299.06149	9.7
299.41965	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	297.1695
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
51.02363	1.7
53.03707	1.4
53.03947	20.1
55.01876	7.9
55.05509	17.9
57.03436	20.7
57.07075	4.9
65.03927	3.3
67.05502	69.2
68.34687	1.0
69.03426	3.0
69.07068	32.0
71.01360	1.4
71.04995	4.8
71.08616	2.2
71.10733	1.8
79.05492	40.0
81.03418	52.1
81.07054	100.0
83.04979	11.7
83.08620	13.5
85.06539	7.9
91.05478	22.0
93.07041	51.9
95.01347	2.0
95.04970	18.5
95.08606	71.0
97.06538	6.5
97.10170	7.0
97.33873	0.8
99.04452	1.5
99.08082	3.5
103.05471	2.4
105.04497	1.3
105.07028	16.4
107.04955	34.2
107.08591	18.3
109.06521	6.4
109.10154	18.3
111.04424	1.2
111.08065	7.1
111.11719	5.3
113.06005	1.3
115.05430	2.1
116.01688	1.0
116.98593	1.3
117.07015	16.2
119.04939	2.9
119.08578	6.4
121.06508	12.0
121.10124	10.1
123.04433	5.1
123.08061	24.5
123.11701	11.2
124.08417	1.0
125.09603	1.7
125.13250	1.1
129.06990	2.5
131.04890	2.6
131.08569	16.3
133.06512	4.3
133.10110	9.7
135.08067	3.2
135.11691	29.9
137.13257	4.1
139.07489	1.1
139.11107	1.4
141.07005	7.2
143.08536	4.0
144.09363	1.3
145.06477	17.4
145.10127	5.7
149.13255	19.7
151.14862	2.3
154.07794	2.2
157.10231	1.1
159.08046	5.0
159.11690	27.8
161.05891	1.2
161.09566	1.2
163.11147	0.9
163.14835	1.6
165.16367	1.4
169.10117	11.4
177.12755	25.5
177.16513	1.2
178.13181	1.1
179.17911	1.1
183.88109	1.0
187.11186	27.7
188.11481	1.5
195.13814	16.4
205.06487	0.9
205.12187	9.2
205.19540	1.6
223.13257	8.8
233.15269	1.7
241.11884	2.0
241.14340	41.4
242.14670	2.1
256.07272	1.7
261.25900	4.4
265.08554	1.1
269.08182	1.5
274.97467	1.2
279.15906	23.9
279.26779	4.4
283.02621	1.2
292.98587	1.0
297.07663	2.0
297.11191	6.7
297.16940	72.6
297.27780	4.9
298.17276	4.0
299.06021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1279
Annotation	Japonine
Peak:m/z	Relative Intensity
54.38543	0.4
55.01831	0.9
55.05479	0.4
56.96521	0.8
64.73064	0.5
68.64926	0.4
69.07022	0.6
70.04062	0.5
70.11087	2.1
79.05432	0.7
80.94035	0.4
81.07023	0.8
93.07037	0.8
95.08582	0.8
98.97533	0.5
103.05418	0.5
104.06221	1.0
109.10178	0.4
130.06511	0.6
131.04887	1.2
132.05669	1.0
133.05148	0.4
137.05898	1.6
138.06256	1.0
148.07584	0.6
156.08002	0.7
158.06039	0.8
160.07561	0.5
161.04707	0.9
161.06062	0.4
162.05463	0.5
170.09612	1.2
172.07503	0.8
173.08386	2.6
180.08064	0.6
184.07497	1.9
186.05504	2.6
186.09068	1.3
198.09103	3.5
199.06465	0.4
199.09877	7.1
200.06969	0.6
208.07484	0.8
209.08310	1.7
210.09128	7.6
211.09906	0.6
212.07028	1.7
214.04990	2.3
226.08615	40.9
227.09372	11.7
228.06541	0.5
234.10408	1.6
235.07512	1.3
238.08554	0.5
250.09866	2.5
254.08134	4.2
255.08882	100.0
256.09122	2.2
265.08383	0.5
265.09399	0.6
265.12189	5.3
268.13290	7.1
276.12891	0.6
278.18356	1.1
296.12808	36.8
296.16205	1.8
296.25571	17.1
296.28955	0.9
297.13361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.16618	2.0
52.30135	1.8
53.03942	18.0
55.01861	7.5
55.05511	26.5
57.03425	3.8
57.07061	7.9
59.05017	2.2
63.20694	2.0
67.05164	3.5
67.05500	51.5
69.03398	3.4
69.07067	40.3
70.89866	6.1
71.08627	4.6
74.69509	2.1
79.05486	34.8
81.03415	65.3
81.06576	2.9
81.07050	53.6
83.04977	14.8
83.08617	10.9
85.02870	2.6
85.06521	3.1
87.83629	2.2
91.05463	21.4
93.07043	38.1
95.04960	44.1
95.08601	25.6
97.06493	3.1
97.10176	7.9
99.08081	4.2
100.09023	1.9
105.07018	20.8
107.08595	27.4
109.06505	11.7
109.10164	21.1
111.08075	3.7
119.08582	12.9
119.88124	2.3
121.10152	11.5
123.08064	3.4
123.11713	4.1
125.09619	8.5
128.06073	2.4
129.06995	3.2
131.08589	2.9
133.10106	18.3
135.08040	4.2
135.11671	10.2
143.08502	2.8
145.10080	3.6
147.11732	12.2
149.09651	4.0
149.13242	6.7
151.11165	44.7
153.09077	7.5
157.10152	5.1
159.11679	2.6
161.13254	13.9
163.14842	2.5
165.12744	9.1
171.11708	6.7
175.14819	6.1
179.10565	3.2
179.14281	6.4
189.11203	3.0
189.12704	4.2
193.12206	3.6
207.13724	4.6
217.19426	2.5
231.21021	10.7
234.10429	2.7
235.07541	3.3
241.19484	4.1
249.22127	5.9
250.09872	4.1
259.20581	8.2
265.08664	2.3
265.12234	8.9
277.21619	100.0
295.05978	3.2
295.22940	4.2
295.26276	2.3
296.12778	2.7
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	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.70720	5.0
55.01859	9.8
55.05500	20.6
56.18719	4.6
57.03436	29.2
57.07063	12.5
67.05501	51.1
69.03422	9.7
69.07062	25.0
73.02890	10.2
79.05488	43.1
81.07053	100.0
81.41504	5.1
83.04938	6.5
83.08604	12.1
85.02909	8.2
85.06509	5.2
89.66474	4.8
90.01126	4.3
91.05456	27.4
93.07026	50.2
95.04915	6.2
95.08602	82.1
97.02903	5.2
97.06515	10.8
97.10181	10.4
99.08157	6.8
105.07013	24.8
107.08595	35.7
109.02850	4.7
109.06539	6.6
109.10126	31.3
117.06966	8.8
119.08585	23.8
121.10121	51.0
123.08086	6.8
123.11710	7.7
131.08554	12.1
133.10109	15.6
135.11694	29.8
137.09521	7.0
139.65126	4.5
143.08551	5.9
145.10118	10.5
147.11716	13.5
149.13260	14.6
157.10165	7.4
159.11737	11.6
161.13223	9.4
165.12802	6.0
171.11668	5.2
175.14819	6.4
185.13174	6.5
187.14799	17.3
187.28142	4.6
199.14777	6.4
205.15904	14.7
207.17474	5.8
221.18950	6.7
223.16927	8.9
234.10402	9.7
235.07578	6.7
241.19577	8.5
250.09819	9.6
259.20612	17.3
265.12347	26.6
277.08594	6.4
277.21619	80.5
295.06207	12.1
295.09619	26.6
295.23560	9.8
296.09610	6.1
296.16248	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	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03927	7.0
55.01667	1.9
55.01869	22.6
55.05265	2.8
55.05508	41.5
56.96555	3.7
57.03422	7.2
57.07071	29.8
61.02910	3.5
65.03936	4.7
67.05170	3.9
67.05501	68.8
69.03419	12.9
69.07056	39.1
70.62885	7.9
71.04967	6.3
71.08635	29.5
73.02908	6.7
73.06527	3.6
74.45058	2.4
79.05486	35.0
81.03394	12.3
81.07052	64.5
83.04959	15.0
83.08608	27.7
84.08173	2.2
85.02876	6.7
85.06531	6.5
85.10161	7.5
91.05470	31.0
93.07033	45.5
95.04962	20.7
95.08604	42.4
97.02850	6.2
97.06529	16.0
97.10151	21.6
98.97576	4.0
99.04476	2.9
99.08082	30.0
104.21181	2.2
105.07019	28.2
107.04928	3.9
107.08588	30.2
109.06475	8.2
109.10152	29.5
111.08061	22.1
111.11661	3.1
113.09622	7.6
115.03956	2.6
116.98616	4.7
117.07037	4.3
119.08584	23.9
121.02845	3.4
121.06540	2.6
121.10145	24.4
123.08029	5.6
123.11696	11.1
125.09628	11.8
129.06993	6.3
131.08548	8.2
133.06415	3.6
133.10104	20.5
134.99625	3.3
135.08031	3.3
135.11668	19.6
137.09598	7.3
137.13268	4.0
139.11156	6.7
143.08522	7.0
145.10098	8.0
147.08018	3.5
147.11684	22.1
149.02338	98.0
149.09587	6.4
149.13278	17.2
150.02649	3.4
151.11162	28.1
153.12669	3.1
153.33199	2.4
155.08557	2.9
157.10094	7.4
159.11702	7.2
161.13245	9.2
163.11131	13.0
163.14824	3.1
165.12714	17.6
167.03381	3.9
171.11649	5.8
173.05885	2.8
173.13258	3.8
175.11148	5.3
175.14706	4.0
177.00694	3.6
177.12692	2.9
179.14282	9.5
181.12213	3.3
185.13239	3.3
189.00665	3.1
189.11176	8.6
189.12749	4.1
191.14406	2.7
193.12259	3.6
197.13293	2.8
199.14799	4.1
203.07115	5.8
203.14372	3.1
221.15358	3.0
231.21059	3.6
234.10429	4.9
235.07451	5.9
237.05267	3.2
241.19455	10.1
249.22218	3.7
250.09766	3.4
259.20605	13.4
264.64725	2.6
265.12158	10.8
265.15134	7.2
266.14529	2.6
277.14270	4.0
277.21597	100.0
277.24731	5.0
285.66382	3.0
295.06003	6.9
295.09500	5.3
295.22717	48.7
296.13046	3.3
296.16385	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	295.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
55.05505	2.5
56.96556	1.0
57.03430	33.9
57.07076	0.7
58.06590	13.5
59.04996	1.7
61.02916	9.1
67.05508	1.3
69.03423	30.8
69.07055	1.4
69.30763	6.3
71.01341	6.2
71.05005	0.9
73.02910	55.0
73.49734	0.6
74.02428	7.6
74.03215	0.8
79.05482	1.1
81.03412	3.2
81.07051	1.3
83.08600	1.3
84.04487	3.4
85.02897	41.4
86.09683	0.9
86.29439	0.6
87.04454	3.1
91.03952	1.5
91.05473	1.7
93.07046	1.7
95.04969	1.1
95.08611	1.3
95.11816	0.6
95.42593	0.6
97.02884	33.1
97.10175	1.5
97.57040	0.6
98.03214	1.1
98.97562	0.9
99.04433	2.0
102.05530	6.2
103.03926	1.3
103.05435	3.8
105.07019	1.3
107.04923	2.8
107.08559	0.9
109.02874	2.8
109.10155	0.9
110.06033	0.6
115.03919	35.0
115.11317	0.6
116.04251	0.8
118.01221	1.1
119.08521	0.9
120.08092	86.7
121.08431	1.4
124.62437	0.8
127.03898	9.0
130.04973	0.7
130.06528	1.8
131.04895	3.0
131.08563	0.8
133.04947	13.9
135.04395	0.6
137.05931	1.3
145.04950	9.5
146.06001	1.7
146.99677	0.8
148.09967	0.9
149.05981	1.1
150.07750	2.9
150.11473	1.0
151.03914	1.4
158.09619	0.6
160.02223	2.8
160.11191	2.1
161.05907	0.6
162.05534	0.6
163.05956	3.1
163.12291	17.8
164.13087	11.6
166.08624	30.0
175.07462	0.8
175.12286	1.7
176.13101	1.1
177.00774	0.7
177.05556	0.9
177.13832	1.5
178.03320	1.7
181.04915	1.1
187.12338	0.8
188.13097	2.4
189.10237	1.4
189.13849	8.9
190.10976	0.7
190.14639	1.2
193.04979	0.9
203.11786	2.5
203.15402	6.3
205.08656	1.0
205.17046	0.7
207.11351	0.7
208.12163	0.7
211.06030	0.9
214.06645	0.8
214.08710	0.6
215.11746	4.9
216.12589	0.8
217.13321	7.8
223.06140	1.2
231.11342	0.9
231.14893	14.7
232.09731	1.4
241.07095	2.0
249.12332	18.8
249.15962	13.2
250.12866	0.7
259.08066	1.0
259.14471	3.5
277.15445	47.1
278.12460	0.8
278.15894	1.0
295.12961	12.6
295.16455	100.0
296.16818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
55.01859	1.1
55.05504	1.0
56.05030	0.6
56.96556	0.6
57.03432	11.9
58.06593	17.0
59.04989	0.3
61.02919	1.9
67.05498	0.6
69.03424	7.3
70.80138	0.7
70.80514	0.7
71.01344	0.9
73.02914	12.3
74.02432	8.2
79.05489	0.8
80.14341	0.4
81.03400	0.7
81.07054	0.8
83.08646	0.5
84.04513	3.3
85.02895	9.4
86.09698	0.6
87.04453	0.6
91.05467	1.3
93.07034	1.6
95.04938	0.6
95.08594	0.7
97.02885	9.9
97.10132	0.7
98.97580	0.6
99.04491	0.5
102.05532	6.8
103.03982	0.4
103.05444	4.2
105.07015	0.7
107.04931	1.8
109.02847	0.9
113.13158	0.4
115.03145	0.8
115.03922	8.8
116.98621	0.4
117.61160	0.4
118.01192	0.5
120.08093	100.0
121.06538	0.6
121.08439	1.2
124.07619	0.8
127.03899	2.7
130.04970	1.0
130.06467	2.5
131.04913	2.4
133.04965	3.5
134.99631	0.4
137.05933	0.5
145.04941	2.7
145.10098	0.4
146.05992	1.1
149.05931	1.8
150.07726	5.4
151.03893	3.6
151.07510	0.4
158.09671	1.0
160.02293	1.2
160.11174	2.4
162.05478	0.5
163.06097	0.9
163.12267	2.4
164.13109	1.2
166.08626	33.3
167.08948	0.7
175.07555	1.0
176.07115	0.7
177.09177	0.4
177.13860	0.5
178.03378	1.1
186.09193	0.5
189.06844	0.4
189.08812	0.5
189.13834	1.7
203.11786	2.7
203.15459	1.3
204.10284	0.5
215.11723	0.6
217.13326	0.7
231.11340	0.8
231.14912	2.8
232.09741	1.7
241.07082	0.8
249.12338	25.9
249.15947	1.9
250.12689	1.0
259.14401	0.8
277.11951	1.2
277.15405	7.3
295.05951	0.5
295.12875	14.9
295.16528	18.6
296.13269	0.5
296.16696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57570	0.3
55.01865	1.4
55.05494	1.4
56.05032	1.0
57.03434	13.8
58.06596	15.9
60.47546	0.3
61.02927	2.6
64.83295	0.3
67.05499	0.6
69.03424	8.6
69.07053	1.4
71.01352	1.7
71.04991	0.5
71.60017	0.6
72.08130	0.4
72.14457	0.3
73.02914	18.6
74.02021	0.6
74.02433	9.0
75.71719	0.3
79.05482	1.5
81.03407	1.3
81.07047	1.2
83.04962	0.5
83.08624	0.5
84.04503	3.2
84.08131	0.4
85.02903	13.3
85.03425	0.7
87.04462	1.1
91.05480	1.4
93.07045	1.6
94.06546	0.5
95.04960	0.5
95.08592	1.0
97.02887	11.8
97.10151	0.5
98.97594	0.6
99.04443	0.7
102.05538	6.8
103.03928	0.5
103.05458	4.4
105.07027	0.9
107.04964	2.2
107.08595	0.7
109.02876	1.0
109.06560	0.4
110.06054	0.8
115.03922	11.1
116.98640	0.5
117.07024	0.5
118.01234	0.5
119.04942	0.4
119.08562	0.5
120.08096	100.0
121.08401	1.7
121.10089	0.4
124.07574	0.7
127.03916	3.2
130.04974	0.4
130.06488	2.2
131.04898	3.0
131.08568	0.4
133.04935	4.0
134.99696	0.5
136.07613	0.8
137.05981	0.8
140.06953	0.4
143.08600	0.6
145.04945	3.1
146.06001	1.3
149.06007	2.0
150.07750	5.1
151.03922	3.5
157.06471	0.4
157.10107	0.5
158.09639	0.7
160.02242	1.7
160.11230	2.0
161.05991	0.4
161.08061	0.3
163.03940	0.5
163.06097	0.7
163.12296	3.9
164.07034	0.4
164.13078	2.3
166.08632	33.9
167.08888	0.6
173.05971	0.5
175.07526	1.3
176.07108	0.7
176.13116	0.4
177.09145	0.4
177.13788	0.4
178.03401	1.2
186.09074	0.4
189.05547	0.4
189.10226	0.4
189.13919	2.1
190.11061	0.5
190.14606	0.7
193.05014	0.5
202.11020	0.6
203.11790	2.4
203.15477	1.8
215.11807	1.3
217.13298	1.9
221.08154	0.4
223.05980	0.6
231.11302	0.9
231.14905	4.5
232.09731	1.6
237.02704	0.6
241.06979	0.4
249.12343	26.8
249.16016	3.3
250.12579	0.5
259.14502	0.7
277.07294	0.4
277.12189	0.9
277.15436	11.9
295.12897	10.9
295.16531	26.4
312.84906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.52222	0.8
53.03925	1.4
55.01865	3.3
55.05492	1.1
57.03432	55.0
58.76216	0.9
59.04991	2.1
61.02923	16.1
67.05497	1.3
69.03423	54.3
69.07047	1.0
70.20676	2.6
70.21085	2.0
71.01348	9.2
71.04977	2.0
72.08149	0.9
73.02912	100.0
74.03236	0.9
79.05496	0.9
80.77100	0.8
81.03403	5.7
81.07045	2.2
83.04987	1.1
85.02899	78.5
87.04461	5.4
91.03941	2.1
91.05460	1.7
93.07043	1.6
93.08228	0.8
95.04982	1.1
95.08592	1.5
97.02885	69.7
98.03218	1.2
98.97585	1.1
99.04444	4.1
102.96864	1.0
103.03959	2.1
105.06998	1.0
107.04940	1.3
107.08607	1.3
109.02867	5.3
115.03922	69.3
120.97945	1.2
121.10139	1.0
123.08050	1.1
124.07547	1.0
127.03904	18.3
129.07091	0.9
132.97896	1.4
133.03983	1.8
133.04956	25.8
138.09073	1.4
145.04955	23.1
151.03947	1.6
157.04922	0.9
163.03850	0.9
163.05989	5.4
175.03792	0.8
177.05504	1.1
184.47942	0.8
189.47333	0.8
193.04962	2.1
223.06039	2.5
241.07109	2.7
259.08234	2.5
295.10538	1.9
295.15985	1.3
306.45346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.12832	0.5
53.03934	0.8
54.73314	0.5
55.01865	3.3
55.05532	1.1
56.96565	0.5
57.03434	50.0
57.07082	0.7
59.04998	2.0
61.02922	15.4
65.68826	0.5
67.05503	1.4
69.03426	49.2
69.07049	0.8
69.44966	5.2
70.06563	0.5
71.01350	9.3
71.04989	1.7
71.08673	0.5
73.02914	100.0
75.04491	0.6
79.05453	1.2
81.03413	4.3
81.07043	2.5
83.04995	0.8
84.08132	0.7
85.02901	73.6
86.03245	0.8
86.09718	1.0
87.04459	6.3
91.03946	2.9
91.05460	4.8
93.07021	2.7
94.06505	0.7
95.04977	1.7
95.08613	1.8
97.02886	68.6
98.03238	1.4
98.97598	1.5
99.04430	3.2
103.03918	2.2
105.07025	2.2
107.04955	1.6
107.08599	1.6
109.02879	5.4
109.10168	1.1
110.06039	0.9
111.04434	0.8
111.05576	0.6
115.03923	67.9
116.04304	0.8
116.98604	1.5
117.07036	0.6
118.06462	0.6
119.04911	3.4
119.08585	0.7
120.08128	0.7
121.06507	1.2
123.04427	0.8
123.08057	0.7
124.07560	0.7
127.03910	17.0
130.05147	0.7
130.08646	0.6
131.04895	1.3
131.08560	1.1
132.71996	0.6
133.04962	22.3
133.06459	1.1
133.10109	0.8
134.99675	0.9
136.07576	18.2
137.05969	1.7
139.03851	0.9
140.07005	0.7
143.04945	0.8
145.04956	15.1
145.06229	0.9
145.10126	1.0
147.04376	1.0
150.07738	6.4
151.03888	1.6
151.07491	1.0
154.08681	0.7
159.01445	0.6
161.01299	0.7
161.05981	2.0
161.10762	2.9
162.09149	2.0
163.03880	1.9
163.06068	4.1
163.07317	0.9
163.12286	3.9
164.07071	0.8
164.13112	2.5
165.05513	0.6
173.13239	0.6
175.07541	1.2
177.00729	1.1
177.05467	1.7
180.10144	0.8
189.05461	1.5
189.13892	1.3
191.06911	0.8
193.04971	1.5
195.06512	0.6
195.38019	0.5
199.06030	1.1
203.06987	1.0
203.15454	1.6
207.06412	0.7
208.09712	5.3
211.05980	0.7
211.09760	0.7
215.11852	1.1
217.04851	0.7
217.13367	2.1
223.05963	3.0
231.06540	1.2
231.14880	3.4
235.07556	0.7
235.09712	1.1
241.06943	3.0
249.07498	0.6
249.16063	2.8
259.08234	1.0
259.14398	1.1
277.15457	9.5
295.06107	0.8
295.09625	1.0
295.12848	3.5
295.16449	27.0
304.75534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19580	1.1
53.03931	1.5
53.68524	0.8
55.01873	5.2
55.05498	1.6
56.96536	0.9
57.03433	55.3
57.22499	0.8
59.04981	1.6
61.02646	1.2
61.02925	15.6
67.05508	1.7
69.03424	52.6
71.01019	0.8
71.01377	8.7
71.04990	1.6
73.02912	100.0
74.03250	1.5
76.04643	0.8
81.03394	4.9
81.07053	2.1
83.04942	1.4
85.02898	86.8
85.06537	1.1
86.09694	1.1
87.04465	7.9
91.03931	1.6
91.05476	2.5
92.04945	1.0
93.07018	1.3
95.04930	1.8
95.08586	1.9
97.02882	68.8
97.10153	1.4
98.03210	1.0
99.04434	3.0
103.03940	2.9
106.06543	1.1
107.04942	1.6
107.08575	2.4
109.02865	6.4
109.06434	1.1
110.05984	1.8
115.03919	67.1
116.98582	1.2
119.08583	1.3
120.08073	1.9
121.10172	0.9
127.03910	19.7
128.98618	1.2
131.08516	1.0
133.04955	28.2
138.09175	1.7
142.08594	1.1
145.04944	18.0
146.05934	1.9
149.05995	1.2
152.07018	1.2
159.11601	1.1
161.05930	1.0
163.03851	1.4
163.06035	4.8
176.34795	1.0
177.52301	1.0
179.06950	1.0
181.04962	0.9
193.57024	0.9
223.06097	3.1
241.07086	3.9
253.01999	1.2
259.08157	1.9
276.60306	1.1
295.09857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.26418	1.4
57.03433	49.7
59.04971	2.0
59.57485	1.4
60.75099	1.3
61.02921	13.2
69.03424	39.8
70.03799	9.6
71.01350	10.1
73.02913	100.0
77.87673	1.4
78.11336	1.7
81.03384	3.7
81.07061	1.7
85.02899	56.9
87.04448	4.8
91.03947	2.0
97.02888	52.3
99.04429	3.1
103.86002	1.6
109.02871	3.1
115.03919	68.2
123.55604	1.5
127.03899	14.0
133.04962	23.4
133.06532	2.2
136.90056	1.5
143.31015	1.4
145.04941	16.0
163.05989	5.4
196.79678	1.6
199.86304	2.1
207.28696	1.7
241.07135	3.2
249.13844	1.6
295.09918	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
53.59997	2.3
55.01865	6.8
55.05500	10.3
56.96561	6.1
57.03435	53.8
57.07065	4.7
59.04977	4.2
61.02925	15.1
63.50007	2.3
67.05507	18.8
69.03429	61.9
69.07065	20.2
70.89883	3.3
70.90249	7.7
71.01328	10.1
71.04977	7.6
73.02912	100.0
79.05466	10.6
81.03401	7.8
81.07050	30.4
82.32292	2.4
83.01315	2.5
83.04974	3.7
83.08601	6.7
84.08139	22.2
85.02898	78.4
85.06525	5.7
87.04444	7.1
91.03925	3.6
91.05478	16.3
93.07029	21.4
95.04960	3.9
95.08604	30.5
97.02882	68.1
97.06529	2.9
97.10150	4.7
99.04430	8.0
101.10559	2.3
103.03906	5.2
103.05434	6.8
105.07013	16.8
107.04957	6.0
107.08594	17.9
109.02859	7.6
109.06544	4.9
109.10155	20.4
109.89358	2.6
111.08074	3.5
111.11694	3.7
115.03148	4.5
115.03922	67.5
117.07002	7.0
119.04916	2.7
119.08566	10.8
121.06516	5.4
121.10114	13.9
123.08072	3.4
123.11678	9.9
125.09634	7.1
127.03905	25.1
128.06203	2.8
129.06996	4.9
131.04875	5.0
131.08553	7.1
133.04970	27.5
133.06487	14.8
133.10101	10.2
135.08022	9.1
135.11667	5.0
137.05930	10.1
137.09558	3.3
137.13295	5.1
139.11147	4.0
143.08551	3.0
145.04996	21.0
145.10120	9.2
146.06007	3.6
147.08086	4.2
147.11809	3.0
149.13257	4.0
151.03894	4.5
151.07538	7.4
157.10168	2.6
159.11668	4.5
161.13246	4.6
163.06183	4.0
163.07512	16.7
163.14742	2.9
173.09660	5.6
173.13213	3.1
175.07590	3.0
175.11189	4.2
177.00601	2.6
189.09061	2.7
192.10857	3.1
235.07523	5.3
241.06889	3.0
252.07750	4.2
258.52637	2.8
259.13266	2.6
263.07141	3.9
264.12912	4.6
265.12210	4.9
277.21649	3.2
281.08118	2.7
295.05991	21.0
295.09662	22.5
295.15402	7.1
295.19882	9.5
295.26303	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.84495	0.4
53.03944	0.8
55.01868	1.3
55.05529	0.6
57.03432	50.3
58.03781	0.5
59.04992	1.7
61.02921	15.1
65.03943	0.9
65.36987	0.3
67.05498	0.7
68.99810	0.4
69.03424	48.3
69.07076	0.5
69.39099	3.4
70.03754	0.6
71.01351	8.6
71.04989	1.2
73.02911	100.0
74.03241	1.1
75.04453	0.5
79.05493	0.9
81.03412	4.5
81.07054	0.9
81.78165	0.4
83.04983	0.6
85.02898	61.2
86.03214	0.9
87.04459	5.1
91.03946	1.7
91.05488	1.3
93.07044	1.0
95.04953	0.4
95.08603	0.5
96.08138	0.4
97.02883	58.5
97.10251	0.6
98.03223	1.1
98.21491	0.8
99.04443	2.5
101.02383	0.4
103.03935	1.6
109.02869	4.4
109.10165	0.4
111.04438	0.9
113.39236	0.4
115.03918	67.0
116.04269	0.8
119.04927	3.7
121.02850	2.6
121.06526	0.4
121.10184	0.4
123.04482	0.5
124.07587	2.0
125.09685	0.4
127.03902	14.7
128.22693	0.4
131.04942	0.4
133.04951	18.8
136.07565	0.7
137.06023	0.6
145.02873	1.5
145.04942	16.1
147.11703	0.5
149.02322	1.9
154.08821	0.4
157.04997	0.4
163.06030	4.0
165.05516	0.4
165.06993	0.5
167.03384	3.2
169.04956	0.6
177.01820	5.4
181.04941	0.5
193.04955	1.3
195.02853	1.4
199.06056	0.5
223.05957	2.5
229.07155	0.5
234.06990	0.4
239.07031	1.1
241.07014	3.0
255.46460	0.4
259.08167	2.1
265.12186	0.4
267.06497	6.1
277.08801	0.5
295.06000	60.4
296.06375	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05513	0.9
56.96565	1.0
57.03434	10.9
57.07060	0.7
59.04998	0.8
61.02928	3.5
64.52471	0.7
67.05515	0.7
69.03426	9.3
69.07066	1.9
69.84975	3.8
69.85282	0.9
71.01348	2.0
73.02914	19.9
79.05482	1.0
81.03412	1.3
81.07052	2.0
82.03880	0.6
83.08604	0.9
84.04487	0.7
85.02900	13.4
86.09695	3.0
87.04458	0.9
89.03922	1.7
91.05476	1.7
95.04975	1.0
95.08589	1.6
97.02889	12.6
99.04449	1.0
101.02359	1.3
103.03938	9.0
103.05458	2.1
104.16469	0.6
105.07012	0.9
107.04960	1.2
109.02814	1.0
109.10133	0.9
110.06097	0.7
111.04475	0.7
115.03929	11.1
115.05486	2.7
116.98617	0.7
117.03374	2.0
117.07035	0.8
119.04901	1.0
119.08601	0.7
120.08105	1.6
123.04390	1.3
127.03900	2.2
129.06998	1.6
131.04951	2.7
131.08504	0.6
133.04948	3.2
133.06497	0.8
135.04407	19.2
135.05414	1.2
137.02342	1.0
137.05974	1.2
139.03923	0.8
141.05443	0.9
141.06958	1.4
143.04939	4.5
145.02834	2.5
145.04935	3.0
145.06535	0.8
147.04396	8.8
149.05960	2.0
150.07738	2.7
151.03882	1.1
157.06483	2.6
157.10106	0.7
159.04382	1.4
161.05972	9.4
161.13286	0.6
163.03899	100.0
164.04257	0.7
165.05470	1.9
167.04929	1.1
169.06470	1.4
171.04436	1.8
173.05980	1.8
175.03929	5.4
175.07556	2.4
177.05458	6.1
179.03413	2.2
181.04999	0.9
185.05957	3.0
187.03938	2.2
187.07504	1.4
189.05473	10.1
191.03383	1.6
191.07042	1.0
193.04955	43.1
194.05240	1.0
199.03992	0.7
201.05496	1.3
203.07028	3.1
205.04961	4.0
207.06526	1.4
213.05469	5.8
215.06992	1.7
217.04977	5.9
217.09685	0.6
221.04526	0.8
223.06151	0.7
229.04993	0.7
231.06438	5.3
233.04501	0.8
235.05963	4.1
247.05922	1.4
248.12640	0.6
249.07602	2.5
259.06030	5.0
277.07108	2.6
277.11780	1.0
295.08121	23.4
295.16391	1.3
299.95532	0.6
300.30698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
57.07076	1.1
67.05497	0.4
69.07063	0.2
69.28301	1.0
69.28734	0.7
71.08631	0.9
76.59341	0.2
79.05490	0.8
81.07044	0.9
83.08668	0.2
85.06547	0.2
91.05479	0.4
93.07029	0.2
94.04195	1.7
95.04924	0.2
95.08610	0.3
107.04951	0.4
107.08613	0.2
109.06509	0.5
122.03646	5.8
123.11674	0.4
128.47635	0.2
137.05975	100.0
138.06313	1.8
141.12733	2.5
158.15421	1.3
164.12369	0.1
170.15396	0.7
188.16438	0.2
197.07324	0.2
199.67902	0.1
248.15257	0.1
276.20410	0.4
294.20761	0.6
307.27536	0.2
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
51.02398	0.2
55.05504	0.3
56.96531	0.2
57.07066	0.6
58.32358	0.2
58.40040	0.1
66.04730	0.3
67.05492	1.1
69.07067	0.4
70.26377	0.4
70.26781	0.5
71.08620	0.3
78.57663	0.1
79.05483	0.6
81.07044	1.8
88.07616	0.1
91.05465	0.7
93.07029	0.2
94.04180	1.8
95.08602	0.3
97.06524	0.2
97.10162	0.3
99.71835	0.2
107.04937	0.4
107.08575	0.3
108.08914	0.3
109.06461	0.2
122.03642	6.0
123.11710	1.4
137.05968	100.0
138.06314	1.4
139.11176	0.2
141.12779	0.2
158.15405	1.4
169.50238	0.2
170.15393	2.5
238.11465	0.3
259.12042	0.2
276.20401	0.3
294.20825	0.3
305.37021	0.2
305.41025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
51.41721	0.5
53.87972	0.5
54.82648	0.6
55.01860	2.1
56.96550	0.6
57.03435	6.9
57.07063	0.8
61.02906	2.5
67.05489	1.0
69.03097	0.7
69.03420	5.1
69.07053	0.8
70.19505	1.1
70.19920	2.1
70.47058	0.5
71.01341	0.8
73.02906	12.0
73.53524	0.5
79.05486	0.7
81.03407	1.1
81.07030	1.3
84.04491	1.5
85.02898	8.2
86.09691	1.2
89.03900	2.0
89.14796	0.7
91.05470	1.2
91.13016	0.5
93.07008	0.7
97.02888	5.6
101.02345	1.3
103.03938	8.9
103.05435	1.3
105.07035	0.9
107.04924	1.3
109.02853	0.7
109.32043	0.5
115.03902	4.7
115.05445	2.6
117.03361	2.3
119.04913	1.7
120.08089	2.1
123.04424	1.4
127.03938	0.9
129.06992	1.2
131.04933	2.6
133.04961	1.3
133.06473	0.7
135.04402	20.0
136.04616	0.6
137.02325	1.6
139.03891	1.3
139.05432	0.9
141.06967	1.1
143.04947	3.4
145.02856	2.6
145.04922	1.1
145.06465	1.2
147.04381	9.9
147.57260	0.6
149.05930	2.0
150.07744	1.0
157.06488	1.7
159.04417	0.9
161.05969	7.4
163.03889	100.0
164.04332	1.1
165.05429	1.8
166.08629	0.7
171.04431	1.9
173.05977	1.6
175.03906	7.0
175.07524	2.0
177.05469	6.3
179.03374	2.0
181.04958	0.8
185.05959	2.6
187.03877	2.0
187.07512	1.1
189.05420	8.0
191.03381	1.8
193.04947	41.3
201.05411	0.7
203.06985	1.6
205.04938	3.7
207.06476	0.8
213.05408	4.2
215.07069	1.2
217.04982	4.8
231.06453	4.9
233.04430	0.7
235.05948	4.7
241.05139	0.8
249.07516	1.5
259.05939	4.3
277.07062	3.2
277.11792	1.5
295.08121	24.3
295.16089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65609	3.4
53.03933	7.4
55.01860	10.6
55.05511	5.7
56.96560	31.5
57.03439	23.4
57.07056	11.2
58.06584	6.9
61.02917	16.8
67.05489	10.5
69.03420	47.1
69.07059	14.8
70.06580	8.3
70.30812	3.4
71.01357	7.2
71.04980	10.5
71.46168	5.9
73.02919	42.0
73.06545	9.0
73.53949	3.4
74.06075	4.0
75.04436	4.0
79.05352	3.3
81.03419	12.7
81.07051	7.4
83.04992	6.7
84.04475	15.4
84.08147	32.1
84.28683	3.5
84.96023	5.6
85.02421	7.2
85.02904	100.0
85.06524	12.4
86.03236	3.4
86.09686	4.4
87.04460	12.3
88.07639	7.0
91.03928	8.9
93.07034	3.7
97.02888	56.5
97.06470	4.2
98.97575	35.6
99.04432	14.2
101.05988	7.7
103.05484	4.2
107.04898	4.1
109.02871	15.9
110.06018	3.4
114.09144	15.3
115.03941	22.5
115.07588	9.0
116.98595	36.0
120.08105	36.2
120.97934	5.2
122.06000	3.5
124.07510	4.1
126.04399	3.6
127.03886	28.9
127.23845	3.3
128.07072	10.3
128.98601	8.4
130.04979	14.9
130.08612	10.3
131.03604	4.2
131.04840	5.9
132.09245	5.6
132.10184	26.7
133.04903	5.1
133.83333	3.8
134.99637	25.9
137.05991	5.2
138.05420	4.3
145.04953	41.1
146.99603	7.5
147.07613	12.4
149.01189	5.8
150.07716	5.5
153.00632	5.3
155.04636	10.9
156.03604	7.4
158.99646	6.9
161.02890	5.6
161.04750	9.0
161.05931	4.1
161.54871	3.9
163.02774	4.7
163.04004	5.8
163.05989	8.2
164.05174	6.4
166.55432	4.3
168.05440	18.2
170.05087	5.1
170.55328	8.2
171.04146	6.0
173.01057	4.5
177.00740	19.3
177.04401	5.0
177.05931	64.9
177.56216	4.4
179.02243	3.8
179.05809	3.7
188.56802	13.7
195.05362	4.7
197.07416	5.8
202.05156	4.8
204.08597	14.1
213.08824	20.6
213.58858	5.7
219.01688	10.3
227.56969	5.1
229.10701	3.9
234.09380	5.8
237.02742	16.0
249.08240	8.3
289.06604	5.8
293.10849	4.5
294.11240	37.6
294.15085	10.5
294.18213	6.0
294.61667	5.8
295.08224	3.9
295.12781	4.4
309.08557	18.6
312.06781	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	294.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.6
56.03893	0.6
56.96564	14.7
57.03432	1.4
61.02921	1.0
67.05507	0.8
67.32472	0.6
69.03429	4.0
69.07090	0.5
69.90921	3.3
71.95259	1.8
72.04510	1.0
72.08148	1.2
73.02912	3.7
73.06551	0.9
81.03418	1.6
81.81349	0.5
84.07681	0.7
84.08148	7.9
84.96089	0.8
85.02898	4.1
86.09699	1.6
87.04471	0.7
88.07633	0.8
90.09193	0.8
97.02886	4.4
98.97582	82.7
99.04421	0.8
109.02901	0.8
110.06081	0.7
114.09199	3.5
114.09936	0.6
115.03941	1.8
116.98620	100.0
117.98933	0.6
119.01849	0.8
120.08105	1.1
127.03911	1.5
128.98662	0.9
129.10246	0.8
131.00124	0.7
132.07031	0.7
132.10208	7.2
134.99658	84.1
140.00203	2.3
143.00162	0.7
145.02730	0.6
145.04945	1.0
149.01314	0.7
153.00708	18.9
155.04689	0.9
158.01248	4.7
158.99658	0.8
161.01215	1.1
168.05479	2.1
175.02766	0.7
176.02263	0.9
177.00723	1.2
177.04375	1.0
177.05956	6.2
178.04768	0.5
189.00681	0.8
191.05817	0.5
212.12810	0.7
219.01775	1.0
225.05470	2.4
229.04997	2.1
230.13988	1.6
237.02858	1.3
243.06567	2.5
244.05167	0.6
247.06027	5.0
253.04924	3.5
258.13354	1.0
271.06018	50.2
272.06378	0.8
276.14413	3.0
289.07062	64.8
290.07458	0.9
293.10825	0.7
294.07605	2.9
294.11423	1.1
294.15063	0.8
294.18213	1.2
312.08588	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.43819	0.8
55.05258	1.4
55.05506	17.6
57.07070	9.7
63.57842	0.9
67.05500	37.1
68.62349	0.9
69.07063	34.9
70.89980	1.9
70.90350	1.6
71.08620	3.9
79.05483	9.2
81.07050	100.0
82.07379	1.1
83.08610	19.7
85.06529	6.7
85.10168	1.1
87.66221	0.9
91.05463	1.9
93.07033	12.5
95.04997	1.0
95.08599	97.8
96.08915	1.0
97.10157	13.1
99.08085	3.2
107.08589	10.5
109.10147	62.1
110.10545	1.0
111.11704	8.3
111.15028	0.9
113.09657	1.2
115.58094	0.8
121.10127	5.7
123.11700	33.9
125.13257	2.3
134.99623	0.7
135.11687	6.7
137.13246	13.5
139.08777	0.8
139.14749	0.8
149.13254	8.8
151.14809	9.7
163.14772	5.1
165.16367	3.7
177.16403	2.1
179.17940	2.7
191.17972	1.8
193.19525	2.1
205.19450	1.4
219.21072	3.0
249.25574	1.0
264.14856	2.1
265.25977	0.9
275.27386	5.2
293.28363	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	293.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09916	0.8
53.03933	1.1
55.01857	1.2
55.05505	24.8
56.96550	1.2
57.03434	1.1
57.07070	16.1
57.96218	0.8
59.04987	2.9
64.18880	0.8
67.05498	36.8
69.03402	1.7
69.07062	51.5
70.03829	2.0
70.04231	4.0
71.04988	1.3
71.08620	8.2
71.43807	0.8
79.05488	11.5
81.03413	1.0
81.07049	90.7
82.07355	1.1
83.04955	1.8
83.08131	1.7
83.08613	29.7
85.02882	1.0
85.06541	8.9
85.10168	3.1
91.05466	3.2
93.07031	20.1
95.04973	1.1
95.08598	100.0
96.08909	1.7
97.06517	2.8
97.10159	15.5
98.97587	4.2
99.08089	7.3
105.07001	3.0
107.08592	16.8
108.91100	0.8
109.06546	1.0
109.10146	62.8
110.10548	1.1
111.08067	5.1
111.11709	11.2
112.46561	0.9
113.09637	1.2
116.98598	2.3
119.08574	2.1
121.10133	14.0
123.11697	31.5
124.12000	0.9
125.09618	2.4
125.13244	4.0
131.08507	1.2
133.10135	1.7
134.99593	1.3
135.11671	9.4
137.13246	39.8
138.13541	1.3
139.11163	8.1
145.10178	1.6
147.11658	1.2
149.13248	16.3
151.14784	7.6
153.12682	0.9
159.11673	0.9
161.95282	0.9
163.14839	5.7
165.16365	3.1
167.14294	6.8
171.11543	1.0
173.09517	1.0
177.00688	0.9
177.16348	2.7
179.17931	2.4
183.57794	1.1
191.17940	2.4
193.19579	1.8
205.19527	2.7
219.21089	2.4
237.22093	1.1
273.15222	1.8
275.19925	1.3
275.27338	9.7
293.03195	1.3
293.17273	2.4
293.25040	2.6
293.28351	54.4
294.28766	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09916	0.8
53.03933	1.1
55.01857	1.2
55.05505	24.8
56.96550	1.2
57.03434	1.1
57.07070	16.1
57.96218	0.8
59.04987	2.9
64.18880	0.8
67.05498	36.8
69.03402	1.7
69.07062	51.5
70.03829	2.0
70.04231	4.0
71.04988	1.3
71.08620	8.2
71.43807	0.8
79.05488	11.5
81.03413	1.0
81.07049	90.7
82.07355	1.1
83.04955	1.8
83.08131	1.7
83.08613	29.7
85.02882	1.0
85.06541	8.9
85.10168	3.1
91.05466	3.2
93.07031	20.1
95.04973	1.1
95.08598	100.0
96.08909	1.7
97.06517	2.8
97.10159	15.5
98.97587	4.2
99.08089	7.3
105.07001	3.0
107.08592	16.8
108.91100	0.8
109.06546	1.0
109.10146	62.8
110.10548	1.1
111.08067	5.1
111.11709	11.2
112.46561	0.9
113.09637	1.2
116.98598	2.3
119.08574	2.1
121.10133	14.0
123.11697	31.5
124.12000	0.9
125.09618	2.4
125.13244	4.0
131.08507	1.2
133.10135	1.7
134.99593	1.3
135.11671	9.4
137.13246	39.8
138.13541	1.3
139.11163	8.1
145.10178	1.6
147.11658	1.2
149.13248	16.3
151.14784	7.6
153.12682	0.9
159.11673	0.9
161.95282	0.9
163.14839	5.7
165.16365	3.1
167.14294	6.8
171.11543	1.0
173.09517	1.0
177.00688	0.9
177.16348	2.7
179.17931	2.4
183.57794	1.1
191.17940	2.4
193.19579	1.8
205.19527	2.7
219.21089	2.4
237.22093	1.1
273.15222	1.8
275.19925	1.3
275.27338	9.7
293.03195	1.3
293.17273	2.4
293.25040	2.6
293.28351	54.4
294.28766	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03918	1.4
53.97402	1.4
55.01878	1.6
55.05511	10.0
55.05735	1.8
56.73364	1.4
57.07053	3.8
65.03931	2.8
67.05499	99.3
69.07058	11.3
69.37358	13.7
71.08624	1.9
77.33414	1.3
77.33838	1.4
79.05489	17.2
81.07049	100.0
83.08604	6.8
85.06525	4.0
91.05459	7.9
93.07036	17.1
95.04947	3.3
95.08597	85.1
97.06536	2.2
97.10158	4.0
98.20780	2.7
105.07008	8.1
107.08584	12.6
109.10148	36.8
111.08080	2.0
111.11710	2.0
117.06988	3.9
119.08548	7.9
121.10157	12.8
123.08072	2.8
123.11695	21.1
125.09602	1.8
125.53542	1.4
129.07013	1.4
131.08556	10.8
133.10110	4.7
133.46410	1.2
135.11694	6.8
137.09610	2.1
137.13249	8.8
145.10123	5.1
147.11667	4.9
149.02255	1.5
149.09547	3.0
149.13252	5.4
151.11206	1.6
151.14807	5.0
159.11713	5.0
161.13243	3.7
163.11154	5.1
163.14799	2.5
165.12767	2.8
165.16315	1.5
173.13240	5.6
177.12744	3.2
177.16354	1.5
179.14287	1.8
187.14790	3.2
189.12717	1.4
191.14240	3.2
194.86536	1.4
205.15953	1.4
209.11760	1.5
219.09769	1.8
223.16855	1.9
232.25858	1.4
237.11214	2.8
237.18486	1.9
243.21130	8.8
257.18958	2.0
261.22049	7.0
275.20093	10.1
293.21567	2.2
293.24689	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	1.3
53.69331	1.1
55.05506	8.4
55.52037	0.9
57.07065	1.5
59.04974	1.0
62.23101	0.8
65.03932	2.7
67.05503	82.5
69.07063	9.2
71.54388	2.3
72.75396	0.9
79.05485	12.4
81.07055	100.0
83.08603	4.6
91.05465	3.8
93.07044	10.2
95.08606	71.7
96.02265	0.8
96.08833	1.0
97.06526	1.4
97.10152	3.1
98.86903	0.9
99.06966	0.9
105.07018	3.5
107.08578	7.1
109.10152	33.3
109.13103	0.9
109.22959	1.0
117.07014	1.4
119.08553	3.5
121.10156	6.9
123.11697	23.3
131.08559	3.9
133.10147	2.5
135.11682	4.5
137.09595	1.2
137.13272	8.4
138.58881	1.0
140.01317	1.0
145.10136	2.6
147.11681	3.4
149.13258	2.6
151.11180	1.6
151.14822	2.9
159.11674	2.2
161.13240	1.8
163.11140	1.3
163.14848	1.8
165.16432	1.1
166.16701	1.1
173.13239	4.6
177.12776	1.3
179.14287	2.1
187.14804	3.5
191.14203	1.3
201.16389	1.3
209.15192	1.1
219.21005	1.3
223.16826	1.4
237.18605	1.5
243.21098	4.8
261.22220	5.2
293.10007	1.4
293.24744	25.0
294.25095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	5.3
53.99083	3.2
55.01866	7.8
55.05507	21.5
56.96568	7.9
57.03426	4.2
57.07072	29.4
67.05503	50.2
69.07065	87.3
70.07846	4.6
70.77965	8.2
71.04988	5.6
79.05489	44.3
79.96955	3.0
81.03400	5.6
81.06574	5.8
81.07051	100.0
83.04974	7.4
83.08586	16.1
85.06532	4.6
91.05461	32.0
93.07038	36.3
95.04966	21.3
95.08593	45.8
97.06513	8.7
97.10162	5.7
105.07029	40.9
107.04950	10.6
107.08582	46.1
109.06499	24.2
109.10165	24.5
110.06915	2.8
111.08099	6.8
115.07563	26.5
117.07015	9.8
119.08575	39.9
121.06486	4.2
121.10139	23.9
123.04463	5.5
123.08054	13.8
123.11693	8.4
125.09610	5.7
126.99438	6.2
129.01045	9.3
129.06979	3.5
131.08560	19.5
133.06458	7.1
133.10127	41.5
135.08052	9.0
135.11678	10.7
137.05959	8.5
137.09605	11.7
137.13232	3.3
141.01053	12.1
145.10135	17.4
147.11664	20.0
149.09625	13.6
149.13263	5.4
151.11185	9.6
157.10144	7.3
159.11717	8.6
161.09610	3.2
161.13243	4.6
163.11194	11.0
165.12788	5.5
169.10088	3.8
171.11673	3.1
173.13278	8.3
175.11182	6.5
183.11662	3.9
189.11153	6.6
197.07271	52.1
197.08952	4.1
225.06761	5.2
229.19452	4.6
233.11835	5.4
237.11464	4.3
239.17834	3.8
247.20488	5.6
257.19043	10.5
275.20020	88.6
281.63852	3.4
293.17722	6.4
293.20959	52.3
294.09976	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	6.0
55.01872	10.9
55.05503	30.8
56.96560	39.0
57.03432	14.5
57.07078	10.5
67.05499	59.2
69.03412	8.9
69.07063	41.6
71.04992	8.7
71.08618	5.2
71.63157	5.6
71.63585	5.1
73.02912	8.0
79.05486	40.3
81.03423	5.9
81.07050	100.0
83.04980	8.1
83.08609	18.9
84.77694	3.2
84.96074	4.5
85.02921	7.7
91.05480	35.0
93.07033	42.8
95.04965	16.9
95.08600	49.5
97.02885	6.0
97.06537	9.6
97.10175	7.0
98.97562	18.4
99.08077	5.4
105.07013	39.4
107.04968	9.7
107.08595	31.8
109.06506	40.5
109.10152	29.7
116.98607	16.9
117.06970	15.5
119.08578	37.7
121.06545	6.4
121.10116	21.4
123.08088	14.6
123.11703	14.9
125.05955	3.5
125.09631	7.9
129.06995	6.1
131.00162	11.7
131.08539	22.7
133.06459	4.0
133.10115	35.1
134.99661	14.9
135.08008	7.9
135.11684	12.1
137.09607	8.1
137.13269	4.3
139.03922	4.4
143.00276	4.0
143.08548	4.9
145.10156	22.3
146.99660	6.0
147.08092	4.6
147.11697	18.8
149.01225	22.8
149.02328	6.6
149.09636	13.1
149.13264	13.3
151.07516	4.1
151.11229	6.5
155.08662	3.5
156.03575	4.0
157.10124	5.7
158.99643	4.7
159.11658	11.5
161.01202	4.9
161.09680	5.4
161.13252	8.5
163.03917	3.6
163.11171	10.2
163.14832	5.1
165.09169	4.1
167.02275	10.8
172.02869	4.6
173.09729	3.4
173.13264	11.4
175.11186	7.7
175.14835	7.0
177.00719	9.3
183.11716	4.8
187.14807	5.1
191.14238	5.0
195.01747	4.6
203.10080	12.2
212.10735	11.7
213.16394	3.3
223.61414	5.8
229.19724	3.8
237.02791	3.2
239.17798	7.4
241.11105	7.9
247.20599	6.1
253.11125	21.0
255.14407	4.2
257.19073	12.0
259.12234	16.3
263.10382	4.5
264.11612	3.4
264.14719	18.3
271.12131	44.5
273.15262	5.5
275.20050	86.2
275.23196	4.7
276.20428	4.6
284.12750	36.2
284.62848	7.3
284.65958	6.0
293.08191	6.2
293.13605	7.8
293.18271	4.7
293.21204	37.3
293.24475	7.2
293.27753	16.8
294.13742	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	2.7
55.01863	6.1
55.05506	22.3
56.96563	5.3
57.03437	8.0
57.07065	7.2
57.11238	1.5
57.11528	1.6
57.37729	1.4
59.64560	1.8
65.03934	3.3
66.79802	1.4
67.05164	3.0
67.05502	42.3
67.08696	1.8
69.03425	4.3
69.06716	2.8
69.07069	34.7
71.04991	5.6
71.08630	2.7
71.63168	2.2
71.63557	1.6
73.06582	1.7
79.05050	3.2
79.05486	38.9
81.03415	5.7
81.07053	94.1
83.04972	5.5
83.08620	16.9
85.02917	4.4
85.06543	4.7
91.05478	33.5
93.07040	39.8
94.08786	1.5
95.04958	13.2
95.08597	43.2
97.02901	3.1
97.06506	10.8
97.10139	10.2
98.97586	5.2
99.08090	2.2
105.07027	34.6
107.04950	6.9
107.08585	31.8
109.06520	26.4
109.10147	25.3
111.04435	1.8
111.08084	6.1
111.11728	2.8
115.05515	1.6
115.63416	1.7
116.98612	4.2
117.07010	9.1
119.08566	29.8
121.06519	4.1
121.10138	18.5
123.08049	9.1
123.11710	12.9
125.09622	4.3
129.07037	4.5
131.08571	17.4
133.06494	3.0
133.10115	25.8
134.10555	1.8
134.99681	1.8
135.08075	5.3
135.11694	11.9
137.09608	8.4
137.13237	4.5
137.20341	1.5
143.08527	2.9
145.06482	1.7
145.10135	13.7
147.11671	15.4
149.01228	3.5
149.02344	1.7
149.09636	12.6
149.13229	9.4
151.11179	5.7
155.08534	3.0
157.10138	2.9
159.08020	2.0
159.11655	13.7
161.13208	7.6
161.26633	1.6
163.11147	9.8
163.14874	2.1
165.12808	4.2
167.02330	2.0
169.10139	2.5
171.11711	2.7
173.09645	2.6
173.13268	6.8
175.11198	3.4
175.14784	3.2
177.00777	3.1
177.12743	1.8
183.11726	3.3
185.13307	4.1
187.11179	3.1
187.14838	3.7
189.12778	3.2
193.12196	2.0
197.13278	3.2
201.16396	1.7
203.14305	2.8
208.21907	1.6
215.14290	2.3
219.17479	5.8
221.15379	5.5
221.78348	1.6
229.19492	3.4
239.17986	6.0
247.20558	7.1
255.14484	2.3
257.18982	14.6
264.11102	3.8
270.12921	1.8
272.10638	1.7
273.95773	2.1
275.20059	100.0
276.20349	6.2
293.13681	2.5
293.17758	3.1
293.21106	29.8
293.24524	2.5
293.27881	8.9
294.14258	1.8
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	12-OPDA
Peak:m/z	Relative Intensity
53.03952	1.0
55.01858	3.6
55.05506	10.1
55.11424	1.0
56.34279	1.1
56.96577	1.1
57.03428	1.6
57.07061	2.4
67.05498	18.4
69.03405	1.7
69.07065	18.4
71.04973	1.6
71.34966	2.1
79.05495	12.6
81.03427	1.3
81.07052	22.2
83.04988	6.9
83.08611	3.9
84.24364	1.0
84.79913	1.0
91.05467	12.8
93.07032	18.4
95.04961	6.8
95.08606	16.1
97.06525	3.3
97.10176	1.6
99.08108	1.1
105.07027	17.4
107.04956	4.0
107.08585	12.4
109.06512	8.4
109.10159	8.1
111.08115	1.7
117.07003	3.2
119.08587	10.9
121.06491	7.6
121.10141	6.0
123.08081	3.4
123.11709	3.0
124.50969	0.9
125.09648	1.2
129.07024	2.2
131.08563	9.3
133.06540	1.1
133.10112	13.4
135.08069	3.0
135.11670	4.2
137.09636	1.2
141.07033	0.9
143.08623	1.9
144.19835	1.3
145.10127	8.2
147.08078	2.6
147.11674	9.3
149.09666	3.5
149.13268	2.3
151.11192	4.3
157.10211	2.5
159.11684	4.2
161.09636	1.3
161.13239	2.0
163.11209	3.5
173.13293	2.9
175.11189	2.7
183.11676	1.5
187.11209	1.5
187.14824	1.6
191.14317	2.6
201.12779	2.1
207.13777	2.1
215.14426	1.6
215.18024	1.6
219.13782	2.9
229.19574	1.1
233.11870	1.1
233.15245	1.2
239.17966	3.1
247.20551	2.4
257.18976	11.0
275.20044	100.0
276.20456	3.8
293.21112	35.5
294.08844	1.5
294.21533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01862	7.5
55.05259	3.4
55.05507	41.5
56.96559	1.8
57.03424	3.9
57.07063	2.9
62.16397	1.6
67.05504	34.7
69.03407	3.0
69.07058	18.6
70.85403	4.1
70.85745	2.8
71.04962	3.6
73.39848	1.5
79.05053	3.5
79.05490	48.6
81.03411	3.4
81.06580	2.3
81.07053	30.8
83.04951	5.8
83.08614	25.3
84.15249	2.0
85.06560	2.2
90.35497	1.7
91.05472	29.9
93.06489	2.1
93.07037	30.7
95.04959	12.8
95.08603	26.8
97.06514	8.9
97.10166	20.0
105.07020	37.8
107.04964	5.9
107.08587	100.0
109.06530	8.9
109.10153	12.7
111.08050	3.9
117.07040	9.5
119.08570	23.8
121.06486	5.0
121.10143	18.2
123.08077	2.1
123.11726	4.6
124.58113	2.1
125.09621	20.0
129.07033	2.8
131.07693	2.1
131.08586	14.5
133.10130	22.2
135.08040	3.8
135.11665	7.1
137.05940	4.6
137.09581	8.9
139.11142	2.9
143.08598	3.0
145.10114	13.2
147.11668	13.7
149.09619	15.9
149.13228	3.8
151.11208	2.0
157.10094	2.1
159.11705	8.5
161.09544	2.7
161.13261	3.6
163.11186	6.9
171.11522	3.8
173.13306	4.6
175.11121	2.7
181.12225	2.4
183.11726	2.4
189.11198	20.4
191.10741	3.0
203.12740	3.4
205.12399	1.9
215.14200	1.8
223.13260	2.9
229.19449	4.2
233.11754	1.8
233.15369	3.4
237.11208	5.0
239.17970	3.8
247.20700	2.0
257.18878	9.4
275.20038	87.1
276.20291	3.5
293.17825	2.2
293.21075	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.07767	1.0
50.55054	1.0
53.03933	4.7
55.01866	11.0
55.05509	22.1
56.96549	1.5
57.03432	3.0
57.07065	3.9
65.03927	1.5
67.05499	37.9
67.23045	1.1
69.03441	1.5
69.07059	28.3
70.23557	2.3
70.23974	3.6
71.04987	3.3
71.08588	1.3
76.64482	1.1
79.05492	32.5
81.03394	3.7
81.07050	69.1
82.07385	1.2
83.04977	6.0
83.08617	17.1
85.02909	1.1
85.06531	4.7
91.05466	26.3
93.07037	31.0
95.04961	11.8
95.08598	44.4
96.08937	2.1
97.06529	17.4
97.10160	12.1
98.97581	1.4
99.08085	2.6
105.07023	26.1
107.04960	6.8
107.08586	36.2
107.09289	2.5
108.08875	1.4
109.06503	15.2
109.10141	18.7
111.08070	3.9
111.11725	2.1
116.98595	1.8
117.07030	7.6
119.08581	24.5
120.07133	1.3
121.06477	5.3
121.10127	16.0
123.08044	7.2
123.11680	8.6
125.09621	8.9
127.26206	1.2
129.06973	1.8
131.08559	12.4
133.06488	2.2
133.10123	18.6
135.08031	4.4
135.11687	8.5
137.09627	7.7
137.13179	2.9
143.08571	2.8
145.10126	14.1
147.11665	14.4
149.09604	13.2
149.13254	8.0
151.11166	6.7
151.14803	2.1
153.09067	1.4
155.08479	1.7
157.10161	3.2
159.11722	8.3
161.09605	2.7
161.13239	5.5
163.11195	9.3
163.14777	1.3
165.09132	3.8
165.12730	4.6
169.10094	3.5
171.11707	3.6
173.09644	1.9
173.13184	5.4
175.11197	2.4
177.00658	1.5
177.12764	4.2
179.10555	1.2
179.14221	1.1
183.11731	1.8
186.76682	1.2
187.11154	2.4
189.11177	4.7
189.12706	1.5
191.14285	2.4
193.12143	1.7
197.13237	1.8
207.09567	1.2
213.16333	1.8
215.14413	1.7
229.19617	5.5
233.19078	2.4
239.17964	6.9
247.20569	5.6
249.18573	1.3
257.19000	13.5
264.14914	1.7
273.15201	1.5
275.20050	100.0
276.20276	2.8
293.17783	1.8
293.21103	25.8
293.24683	4.3
293.27759	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	3.1
55.01862	4.2
55.05508	13.3
57.03435	19.9
57.07069	1.8
65.03923	1.3
67.05164	1.7
67.05499	24.8
69.03405	1.7
69.06719	1.3
69.07066	17.4
71.03189	2.1
71.03551	2.2
71.04970	3.1
79.05488	40.1
81.03394	1.3
81.07053	31.2
83.04968	3.5
83.08633	9.7
85.06541	8.3
86.71795	0.9
87.40882	1.0
91.04889	1.8
91.05473	39.3
93.07037	54.5
95.04971	9.1
95.08605	26.6
97.06534	5.4
97.10143	3.1
99.08092	2.0
105.07022	39.9
107.04925	2.8
107.08588	33.7
109.06524	9.8
109.10172	8.3
111.08027	1.4
113.05978	1.2
113.09594	1.2
117.07020	11.9
119.08580	36.0
121.06469	4.1
121.10139	12.2
123.08049	3.8
123.11653	1.5
125.09622	3.8
129.06973	7.8
131.08563	17.9
133.10115	20.5
135.08057	3.7
135.11649	5.1
137.09592	3.1
141.06944	1.4
143.08571	8.2
145.10104	14.6
147.08000	1.9
147.11665	17.0
149.09601	9.3
149.13271	2.5
151.11194	2.1
153.09097	1.3
155.08542	1.9
157.10168	6.5
159.11697	18.9
161.09642	2.0
161.13251	10.9
163.03883	2.1
163.07504	2.8
163.11163	4.6
165.09140	1.0
169.10115	2.5
171.11659	2.4
173.09695	1.1
173.13290	8.0
175.11119	3.9
175.14822	3.6
177.05457	17.1
177.12735	1.5
178.06248	16.6
179.10719	1.2
180.88512	1.0
183.11696	4.3
185.13251	25.1
185.93739	1.1
187.11215	2.1
189.11203	1.2
191.07010	6.2
191.14294	1.8
197.13249	1.8
199.14796	1.4
201.16414	4.9
203.14316	21.6
205.12228	3.5
205.15668	1.0
209.15295	1.2
215.10690	2.4
219.17430	38.8
221.15347	31.8
222.15691	1.5
229.19560	1.6
233.11736	26.1
233.15262	1.4
237.14839	1.5
239.17952	7.4
257.18997	21.2
258.19400	1.5
275.20041	100.0
276.20377	4.7
293.21045	13.8
293.27844	1.4
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03932	1.2
55.01859	1.2
55.05500	8.7
57.03180	0.9
57.03432	13.0
57.07054	3.1
65.03943	0.8
67.05499	15.6
68.05836	0.9
69.03409	1.0
69.07063	5.6
69.34911	8.8
71.04980	1.5
73.06530	1.6
79.05489	12.9
81.03393	1.0
81.07051	17.8
83.04965	1.5
83.08607	4.3
84.96071	0.9
85.06528	4.9
85.79124	0.6
91.05470	18.0
93.07030	16.2
95.04964	4.0
95.08604	12.7
97.06509	1.8
97.10127	1.7
98.20708	1.5
99.04440	4.4
103.11906	0.7
105.07027	11.7
107.04934	2.3
107.08585	11.2
109.02859	0.8
109.06497	4.2
109.10149	6.7
111.04415	1.3
111.08043	2.0
117.07011	7.8
119.08581	13.2
121.06498	2.0
121.10119	6.8
123.08055	2.1
123.11658	0.8
125.05892	0.9
125.29198	0.7
129.07018	2.5
131.08562	11.9
133.10114	8.5
135.08022	1.6
135.11673	3.4
137.09587	3.4
138.50043	0.8
143.08534	2.0
145.10104	6.5
147.11661	4.4
149.09618	2.8
149.13272	0.9
151.11179	1.2
153.05452	1.4
153.12746	0.8
157.10095	1.5
159.11638	4.1
161.13251	1.0
163.03835	0.9
163.11232	0.9
173.13229	2.5
175.14795	0.9
177.12711	1.4
181.04953	1.6
181.12158	0.9
185.13217	2.4
187.14787	0.8
191.10670	2.3
195.10159	1.1
201.16423	3.7
203.14281	4.1
209.11714	4.7
209.15367	1.1
219.17426	100.0
220.17766	3.4
221.15392	2.5
237.11201	7.1
239.17979	1.1
257.05005	0.9
257.18951	2.2
275.20041	14.5
275.22797	1.5
288.38095	0.8
293.21091	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	1.8
54.08009	0.6
55.01862	7.0
55.05304	0.7
55.05509	7.3
56.96544	1.5
57.03448	0.9
57.07074	6.5
65.03941	1.3
65.26570	0.6
67.05170	0.8
67.05502	10.5
69.07057	5.6
70.86606	2.3
71.04987	0.8
71.08618	0.7
79.05486	12.6
81.03407	2.8
81.07047	13.7
83.04968	1.8
83.08617	3.9
85.02873	0.8
85.06484	1.0
91.05474	11.1
92.19773	0.7
93.07033	9.0
94.04169	2.2
95.04961	3.3
95.08596	6.8
97.06523	9.5
97.10162	4.6
105.07016	10.3
107.04955	3.9
107.08581	23.3
109.02886	1.0
109.06532	1.8
109.10136	4.6
111.04446	1.6
111.08009	1.6
117.07010	2.6
119.08572	5.3
121.06525	0.6
121.10116	4.6
122.03651	6.0
123.08051	1.2
123.11668	3.0
125.06027	0.9
125.09629	4.0
129.06938	0.8
131.08582	3.7
133.10136	5.3
134.99606	0.7
135.08054	1.9
135.11674	3.0
137.05963	100.0
145.10115	4.3
147.11690	3.8
148.34206	0.6
149.09587	5.2
149.13173	1.3
151.11177	1.3
153.05495	1.1
153.09137	0.8
155.08519	0.8
157.10078	0.8
158.15385	2.0
159.11673	2.6
161.09569	0.8
161.13165	0.9
163.03882	0.7
163.11163	2.8
170.15451	2.2
171.11707	0.8
173.13272	1.5
175.11249	0.8
177.12712	1.0
181.04973	2.1
181.12256	0.7
183.11610	0.6
186.05469	0.7
187.11166	1.6
188.08310	0.7
189.11206	3.2
191.10654	2.8
191.14075	0.7
197.13298	0.7
209.11600	4.2
229.19423	1.2
233.15331	0.9
237.11172	10.2
239.17876	1.4
247.20564	1.5
257.18854	3.5
260.11749	1.1
275.17026	0.9
275.20020	27.4
282.11124	1.7
293.18155	0.9
293.21127	7.0
293.27963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.4
55.02127	0.3
55.05508	26.1
55.33360	0.5
56.96549	0.6
57.03423	0.7
58.99576	5.0
60.63002	0.5
67.05489	2.2
69.07066	1.4
69.30515	1.7
69.30939	3.7
71.05012	0.7
72.04499	2.8
73.02907	1.8
76.02234	3.4
79.05494	0.8
81.03433	0.8
81.07060	3.2
83.08611	21.8
85.02892	1.7
86.09676	1.2
86.99036	4.4
88.02188	1.7
90.05560	3.4
91.05457	1.1
93.07056	0.5
93.70728	0.4
94.06497	0.5
95.08599	1.7
97.02877	1.2
97.93838	0.5
98.20695	1.1
103.03896	0.6
103.05476	0.8
104.01685	17.1
105.07023	0.6
106.70825	0.5
107.08578	1.1
109.10152	0.8
110.05999	1.3
116.01665	33.0
116.98605	1.4
117.05456	0.7
117.07102	0.5
121.10151	0.5
123.11712	0.5
128.07069	0.8
131.04955	1.5
131.08536	0.9
134.99622	0.7
137.06003	0.9
141.07057	1.1
144.06596	1.5
145.06541	0.7
158.02698	100.0
159.02951	0.8
159.08383	7.2
160.07481	0.6
161.05957	1.8
167.07016	0.5
169.06456	1.1
172.05240	0.6
175.07439	1.1
176.03751	76.2
177.05453	2.0
187.07510	2.8
189.05460	2.5
189.08980	0.8
191.07060	0.6
193.06400	0.8
197.05890	0.7
201.09096	1.0
203.07080	1.1
205.08646	0.6
207.06464	0.5
212.07980	1.0
212.57999	0.6
215.07016	2.1
229.08575	2.2
233.08046	2.1
243.06589	0.6
247.09753	1.2
257.08066	2.3
257.12509	0.6
258.11499	1.2
275.09137	2.1
275.13690	1.8
276.12604	34.8
277.12927	0.7
293.10483	2.3
293.15140	9.8
293.24496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.7
71.26075	3.5
71.26406	2.3
71.96313	1.7
72.01767	1.6
73.02910	3.3
109.02815	1.9
153.11246	1.7
161.02962	5.1
269.05368	3.2
273.07370	4.0
293.06314	100.0
311.06442	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78864	2.0
55.01854	6.2
55.05508	5.1
56.96556	13.4
57.03434	56.1
57.07063	4.1
61.02926	16.5
63.95930	2.0
67.01855	2.9
67.05499	18.0
69.03423	19.9
69.07047	9.4
70.02995	13.1
70.06582	2.8
71.01343	19.4
71.04976	7.8
71.31672	2.2
73.02916	34.9
74.11200	2.0
75.04476	5.5
76.16705	2.3
79.05479	4.4
80.92107	2.5
81.03417	5.7
81.07054	20.1
82.47398	2.3
83.01347	2.6
83.04966	6.0
84.04500	3.1
84.08082	2.5
84.96024	4.1
85.02900	79.1
85.06538	58.7
85.39717	1.9
87.04464	3.9
91.05450	3.7
93.07039	4.8
95.01315	11.2
95.04939	6.5
95.08597	13.8
97.02890	43.0
98.20798	2.9
98.97580	14.0
98.98425	3.4
99.00803	10.6
99.04445	18.2
101.02357	6.7
103.03946	11.2
103.05444	2.5
105.07031	6.1
107.08542	4.3
109.02869	3.6
109.10181	5.6
111.04433	2.4
113.02366	27.6
113.05997	49.5
115.03983	4.3
116.98619	17.0
117.05489	100.0
119.01829	2.7
119.04864	2.3
119.08547	4.1
123.11716	3.4
127.03898	6.4
128.98604	4.1
131.03410	17.1
131.04956	2.7
131.07039	32.0
131.08586	3.7
132.55190	2.6
133.07574	3.6
133.10115	3.4
134.99641	17.8
135.06575	2.7
137.02858	2.6
137.05930	6.4
141.01801	26.9
143.00096	5.0
145.04945	10.3
145.10069	3.4
146.99641	7.0
153.00653	2.5
159.02893	10.3
159.06516	31.1
160.05128	2.7
161.01222	10.2
161.05949	3.5
161.07101	35.4
162.05443	3.7
163.03853	3.1
163.07434	2.3
169.05005	5.1
169.06447	2.9
173.04399	2.7
173.06012	2.6
175.07506	3.8
177.00673	6.2
177.05469	4.8
187.05995	3.1
187.07526	4.8
190.56540	2.6
197.04352	4.0
197.06102	2.4
201.10223	7.1
203.07089	4.6
212.06087	4.4
213.05226	3.4
215.05437	5.9
215.07178	5.1
229.08636	4.5
231.06613	3.4
233.03299	2.9
233.08179	4.7
234.07533	3.2
237.02802	7.5
239.08235	2.4
245.09372	10.7
251.04398	4.5
257.09213	19.7
269.05460	6.5
273.06201	2.8
275.10214	9.0
275.13611	2.6
287.06641	2.6
293.05630	5.5
293.10947	15.6
293.14532	5.0
293.24741	5.8
311.06543	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33973	0.7
52.28074	0.7
53.03934	1.0
55.01871	2.0
55.05495	2.1
56.96561	46.8
57.03431	7.9
59.61557	0.6
60.09954	0.7
60.94860	0.6
61.02925	6.1
67.05482	3.2
69.03420	12.8
69.07039	1.0
69.33958	0.7
69.68124	0.7
70.06568	0.9
70.30091	1.7
70.30482	1.6
70.98119	1.5
71.04972	2.5
71.95251	2.2
73.02911	10.3
74.97603	2.6
75.04468	1.0
79.05464	0.8
81.03420	5.2
81.07041	3.3
83.04986	1.4
84.08129	0.8
84.96027	14.1
85.02422	1.4
85.02900	19.5
86.03223	0.7
86.09715	0.9
87.04461	3.9
88.99151	1.1
91.03958	0.7
91.05471	0.9
93.07061	1.1
95.04945	0.9
95.08599	1.6
96.04500	0.8
97.02883	13.6
97.96796	2.8
98.97576	58.2
99.04441	2.7
101.02366	1.0
102.97034	2.7
107.00204	0.8
109.02858	3.2
109.10153	1.2
110.01241	1.1
110.97568	4.0
111.02045	1.9
112.99146	1.1
113.06016	0.9
115.03902	1.7
115.97825	3.6
116.98612	70.7
118.01043	0.9
119.01839	3.3
120.02573	5.8
120.54119	0.9
120.98117	0.8
121.01698	0.8
123.02042	0.9
123.11666	0.9
123.20544	0.7
124.99108	2.3
127.03928	6.8
128.02280	1.7
128.98589	7.7
130.04976	0.7
130.08604	1.6
131.00153	8.0
131.01823	1.2
131.08977	1.1
132.02580	1.0
133.01653	0.7
133.03474	0.9
133.98885	1.5
134.99651	66.4
138.02568	2.9
139.03265	1.0
140.00180	1.3
140.98555	1.8
141.99341	2.4
143.00156	12.9
143.01862	1.5
144.98061	1.0
145.01685	2.3
145.03427	3.4
145.04941	3.9
146.99625	10.8
147.03056	3.1
148.03821	1.7
149.01219	9.5
152.02278	1.0
152.98671	0.7
153.00703	15.7
153.03140	0.8
155.00186	1.6
155.04628	1.6
155.08089	0.7
157.01694	3.2
158.01245	3.3
158.99648	12.0
160.00410	3.1
160.07594	1.2
161.01207	22.9
161.02876	4.3
161.06999	2.3
162.99130	1.7
163.02757	2.4
163.04239	0.7
164.53912	0.9
165.00713	3.0
167.02266	2.2
169.04376	1.1
170.05205	1.2
170.99644	3.1
173.01204	7.8
173.02788	1.7
173.06844	0.9
173.54259	1.1
174.03552	4.6
174.99174	1.5
175.02777	9.6
175.04260	1.2
177.00703	18.3
177.05498	2.7
179.02274	3.4
182.03369	1.5
182.99652	1.8
183.02512	1.2
183.04134	18.9
183.05617	0.7
183.54274	3.0
183.55760	2.0
184.02837	1.2
184.04881	2.0
185.01187	2.6
185.02715	1.0
187.02791	1.3
187.04456	1.2
189.00745	3.7
190.98662	2.8
191.02243	10.8
191.03918	2.0
192.04688	11.3
192.07521	1.0
192.54825	1.8
193.03790	2.2
194.54959	2.7
195.01729	4.8
195.04994	1.4
196.03027	1.5
199.05464	1.8
199.99919	1.0
201.00729	6.7
202.08597	1.9
203.02249	6.3
203.03958	2.1
203.55542	1.3
205.00244	1.5
205.03754	2.4
208.99678	2.4
209.03311	2.0
212.04620	4.9
212.06078	5.1
212.08043	1.2
212.56221	1.0
214.98633	0.9
215.02293	0.9
217.03812	0.9
219.01735	11.0
219.05165	1.1
220.04135	1.8
220.06041	1.4
221.03322	5.9
223.01302	0.8
227.06732	1.7
231.01866	1.1
232.04105	0.9
232.99728	1.9
233.03036	4.2
237.02797	14.9
247.04543	5.4
247.54694	0.9
248.05373	1.3
249.06268	1.1
251.00626	1.2
251.04424	16.6
253.04906	1.6
255.04004	1.3
261.02539	0.8
264.05579	0.9
268.05240	2.4
269.05417	43.9
270.05627	1.0
270.09155	0.8
271.06018	14.3
274.06039	1.0
274.97556	1.0
275.04349	2.1
277.05688	5.0
279.03851	2.1
284.06537	2.1
287.06491	14.3
289.07059	16.8
291.03824	0.9
292.07019	2.1
292.58154	0.8
292.98505	1.7
293.02075	1.5
293.05396	25.0
293.08771	3.3
293.11591	1.3
295.06940	0.9
309.08481	0.8
311.06476	100.0
312.06616	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	291.2679
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03936	3.5
55.05511	20.7
55.15688	1.6
56.68660	1.8
57.06807	2.7
57.07075	23.6
66.11336	1.7
67.05175	2.3
67.05504	34.5
68.12115	1.7
69.06717	3.3
69.07064	43.6
70.02992	10.3
71.08633	14.1
79.05492	16.6
81.03405	6.8
81.07056	79.0
83.04962	3.7
83.08612	24.5
84.04539	2.1
85.06546	3.5
85.10179	2.3
91.05480	11.7
93.07039	41.5
95.04964	13.7
95.08600	97.6
96.08948	4.4
97.06560	2.4
97.10169	11.8
105.07031	29.3
107.08595	27.6
109.06530	2.8
109.10146	46.2
111.08116	2.5
111.11696	6.2
119.08569	15.5
121.10131	27.7
123.08080	3.0
123.11718	23.9
133.10124	16.4
135.08165	2.3
135.11687	19.1
137.09593	5.4
137.13251	9.9
147.11653	21.7
149.13263	18.9
151.11186	3.2
151.14767	2.9
161.13263	13.8
163.14821	13.7
165.12747	4.6
165.16434	3.3
168.42975	1.9
175.14865	4.4
177.16434	7.2
179.14287	3.0
179.17876	3.0
189.16348	7.9
191.17969	4.8
203.17975	5.2
217.19478	10.7
247.24245	2.9
273.25751	38.8
273.28519	3.0
274.26013	3.6
291.19620	3.0
291.26831	100.0
292.27103	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	292.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05499	1.5
56.05027	0.8
56.37663	0.4
56.96552	2.0
57.03419	1.5
57.07078	0.6
60.04512	1.0
61.02910	1.8
67.05500	24.4
69.03423	3.8
69.07064	21.5
70.06568	1.7
71.04983	0.5
71.34382	1.3
73.02896	1.6
74.53136	0.4
79.05491	1.6
81.03404	1.7
81.07055	5.6
83.04973	0.7
83.93999	0.5
84.08138	10.8
85.01110	0.8
85.02419	1.0
85.02900	12.4
85.06532	8.8
86.03223	0.5
91.03980	0.8
93.07054	0.6
94.06554	2.0
95.04964	6.8
95.08586	0.7
97.02911	4.7
98.97590	3.1
98.98367	0.5
99.04430	0.8
109.02891	1.2
112.02187	19.1
112.07599	100.0
113.05994	10.8
113.07977	1.1
116.98624	2.9
127.03926	3.7
128.04239	1.9
129.04335	0.7
130.03207	5.9
130.04723	0.8
130.08633	25.4
131.07057	6.2
131.63858	0.5
134.99667	1.8
137.05888	0.7
143.00168	0.6
144.06578	0.8
145.04976	1.4
146.99611	0.8
158.99658	0.9
161.01221	0.6
161.02951	0.6
161.05916	0.6
162.05426	1.8
171.06023	0.8
175.03981	0.6
177.00729	1.5
177.05565	0.6
189.00731	0.6
204.07587	0.6
204.84747	0.5
212.06192	0.7
213.07164	0.6
219.01799	1.2
232.06918	0.8
234.07520	1.2
237.02846	2.0
243.08122	2.9
246.08331	1.2
269.05447	0.8
271.31296	0.5
274.07745	0.8
292.08685	3.3
292.13678	0.9
293.05814	0.9
305.09091	2.5
311.06531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03931	2.1
55.05512	21.3
56.71682	1.4
57.03442	1.9
57.07074	19.2
65.59337	1.4
67.05497	36.3
69.07063	43.2
70.05293	7.9
71.04997	2.6
71.08618	12.8
75.54706	1.7
79.05493	18.4
81.03419	7.0
81.07052	92.7
82.07377	1.8
83.04991	2.0
83.08611	23.3
85.06528	1.9
85.10186	1.9
91.05463	13.7
93.07040	36.8
95.04428	1.6
95.04971	12.8
95.08599	97.4
96.08939	2.7
97.06504	5.5
97.10168	12.1
105.07028	21.4
107.08587	36.6
109.06498	3.9
109.10149	50.9
111.08054	4.5
111.11736	9.7
114.34218	1.5
116.87371	1.3
119.08585	15.0
121.10126	28.9
123.08049	1.6
123.11700	29.5
125.09658	1.6
131.08513	1.8
133.10126	14.5
135.11687	21.5
137.09579	1.9
137.13260	15.0
139.11186	3.6
140.38138	1.2
145.09984	1.3
147.11678	19.9
149.13251	18.9
150.11252	1.4
151.14815	5.6
153.28162	1.6
161.13274	8.7
163.14810	16.2
165.12767	3.4
165.16382	3.4
175.14798	5.1
177.16406	9.4
179.14285	1.6
179.17902	1.9
189.16373	4.5
191.17897	3.0
194.46501	1.5
203.17946	6.3
217.19574	7.6
228.17856	1.4
231.21039	2.2
247.24242	5.1
273.25739	40.6
274.26160	1.9
291.26807	100.0
292.27075	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	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.97236	1.2
51.26023	1.1
54.95478	1.3
55.05260	2.0
55.05508	24.8
57.07076	9.7
61.28060	1.2
65.03896	1.6
66.65105	1.1
67.05178	2.1
67.05504	36.6
67.72092	1.1
69.07067	40.7
70.83983	2.8
70.84322	1.6
71.04975	2.4
71.08617	2.9
79.05491	16.1
79.81976	1.0
79.87006	1.2
81.03411	1.7
81.07056	100.0
82.07376	1.2
83.04958	2.3
83.08620	19.9
83.99771	1.1
85.02879	1.4
85.06544	2.0
91.05474	9.0
93.06475	2.4
93.07041	31.6
95.04941	3.9
95.08604	90.9
96.08913	2.0
97.06511	5.1
97.10150	11.5
99.08076	2.3
101.49628	1.2
105.07027	11.0
107.08588	30.0
109.06451	1.2
109.10154	50.6
110.10460	1.5
111.08089	3.2
111.11719	8.7
119.08575	9.4
121.10131	23.4
122.10423	1.2
123.11713	29.2
125.09616	1.9
125.13274	3.6
128.56087	1.3
130.06503	1.6
131.08585	1.3
132.10146	2.1
133.10091	7.0
135.11693	18.6
137.13249	16.4
139.11156	4.2
142.08662	1.8
147.11656	10.1
149.12288	1.1
149.13254	24.0
150.11234	1.4
151.11555	1.8
151.14801	5.2
153.12732	1.6
161.13255	5.1
163.14828	15.5
165.16386	3.2
175.14850	2.6
177.16376	7.1
179.17938	2.7
189.16345	4.5
191.17941	5.6
193.19547	1.3
203.17938	5.1
205.19720	1.5
217.19489	4.9
219.21227	1.4
247.24252	4.2
273.25751	24.1
274.26218	2.0
291.26883	90.5
292.27060	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	291.2681
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03934	2.5
55.01862	2.0
55.05258	1.7
55.05509	21.2
56.96539	2.1
57.07069	13.3
61.86201	1.2
65.03930	1.5
66.43274	1.2
67.05173	1.9
67.05500	28.2
69.07068	40.0
70.71832	4.2
71.04974	3.2
71.08601	5.2
77.51765	1.4
79.05489	15.7
81.07056	100.0
81.61382	1.3
82.07378	2.7
83.04964	2.3
83.08615	23.4
85.06517	3.1
85.10128	1.5
87.08012	1.4
91.05479	7.5
91.05931	1.3
93.07045	29.7
95.04972	9.7
95.08606	83.9
97.06523	6.1
97.10145	10.5
98.97568	3.1
99.08075	3.9
105.07036	16.7
107.08596	34.1
109.06505	4.7
109.10152	51.8
111.08069	5.7
111.11718	8.7
119.08601	11.7
121.10136	24.9
122.74989	1.4
123.08075	1.6
123.11706	29.8
124.12003	1.6
125.09646	2.1
125.13246	4.0
127.11105	1.7
131.08551	1.5
133.10153	9.3
135.08075	2.0
135.11676	24.8
137.13263	20.8
139.03819	1.7
139.11192	3.5
147.11652	10.5
149.13263	24.3
150.46030	1.5
151.11151	1.4
151.14789	5.4
153.12749	3.2
161.13243	8.5
163.14821	19.1
165.16356	2.5
167.14317	2.2
175.14832	4.6
177.16339	9.9
179.14384	1.8
179.17941	2.2
189.16364	4.2
191.17899	3.6
193.19504	1.6
197.04361	1.3
202.86050	1.4
203.17955	4.9
207.11299	1.3
217.19495	7.6
219.21175	1.3
219.91528	1.3
247.24207	2.8
259.23532	1.4
273.14828	1.4
273.25784	24.4
291.26804	81.7
292.27124	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.57039	1.7
55.01859	3.9
55.05507	24.1
56.96550	7.6
57.03423	2.8
57.06825	2.0
57.07069	15.2
67.05164	3.0
67.05495	42.6
67.49873	2.1
69.03414	4.6
69.07060	48.8
70.38770	4.4
70.39167	4.5
71.04963	4.4
71.08611	7.7
79.05479	21.9
81.03394	7.0
81.07052	95.3
82.07376	2.4
82.40585	2.1
83.04967	5.4
83.08616	21.2
85.06525	4.5
85.10135	3.4
91.05474	13.4
93.07042	41.4
95.04983	11.2
95.08598	100.0
96.08934	2.9
97.06503	6.3
97.10152	12.5
98.21365	2.5
98.97572	4.7
105.07016	25.5
107.04915	4.1
107.08583	40.1
109.06489	8.5
109.10146	56.5
111.08078	9.2
111.11680	6.1
116.98610	4.2
117.06995	4.6
119.08566	20.8
121.06457	2.4
121.10136	26.9
123.04456	3.1
123.08027	3.0
123.11703	30.8
125.13258	3.7
128.98599	2.9
129.07027	2.3
131.08556	3.8
133.10147	12.8
134.99672	3.6
135.08009	4.1
135.11682	32.0
137.09578	3.2
137.13246	28.5
139.03874	2.6
139.11197	4.0
141.06848	2.1
143.08516	3.3
145.10115	7.7
146.99632	4.4
147.07999	2.7
147.11665	15.1
147.41725	2.1
149.01180	3.2
149.09570	4.2
149.13249	23.4
151.07489	4.6
151.14804	6.5
153.12668	2.2
157.10078	3.1
159.08067	2.3
159.11707	4.5
161.01265	2.2
161.06021	2.3
161.09676	2.6
161.13269	10.6
163.11211	2.6
163.14792	17.2
165.16461	2.2
175.14807	5.2
177.00671	3.3
177.16341	8.3
179.14165	3.4
185.13199	2.2
189.00723	4.7
189.12595	3.1
189.16318	5.9
191.17889	6.4
203.17882	8.2
207.13777	3.4
217.15820	2.0
217.19452	7.6
245.06833	2.2
246.07095	2.2
246.65491	2.2
247.24286	4.6
255.17349	2.1
261.59421	2.1
263.07669	2.2
264.08316	2.1
273.18475	5.8
273.25751	28.7
291.08948	3.1
291.16766	3.3
291.19733	19.0
291.23526	3.1
291.26782	85.3
292.12433	4.0
292.27170	2.6
297.89197	2.2
298.72400	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.82710	1.7
53.03934	3.7
55.05505	16.9
57.07066	2.1
60.17814	1.6
62.07338	1.7
67.05496	32.5
69.07063	15.7
69.60527	1.9
70.53336	6.6
74.80228	1.7
79.05486	72.6
80.52943	1.9
81.07049	50.3
83.08604	7.6
85.06559	2.2
91.05474	29.6
93.07037	100.0
95.04954	10.0
95.08602	30.0
97.06493	4.2
97.10152	5.9
105.07034	17.6
107.08585	59.5
109.06469	2.4
109.10137	15.3
117.07013	3.6
119.08575	12.9
121.10133	42.4
123.11715	3.7
129.07013	2.1
131.08554	6.0
133.10114	12.4
135.10675	3.2
135.11679	54.0
145.10109	4.8
147.11673	8.2
149.09587	3.9
149.13242	35.5
152.58939	1.8
159.11688	5.0
161.03215	1.6
161.13174	9.3
163.11177	4.9
163.14809	11.0
171.11696	3.1
173.13290	2.7
175.14798	5.2
177.12796	3.2
185.13255	4.0
189.12675	3.1
192.43329	1.8
199.14861	2.4
203.14232	4.2
213.16470	2.8
217.15878	1.8
231.17494	2.3
235.16742	2.4
241.19507	5.7
249.18465	2.8
259.20551	12.4
267.46054	2.2
291.09695	2.4
291.19864	4.5
291.23157	77.8
292.23459	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03936	3.4
55.05511	17.8
57.07051	3.6
67.05172	2.5
67.05502	36.2
69.07065	18.4
69.84335	7.8
71.05006	1.7
79.05486	65.6
80.05821	1.8
81.07052	51.1
83.04974	2.0
83.08594	7.7
85.06528	3.6
91.05476	24.8
93.07037	100.0
95.04947	9.0
95.08603	32.4
97.06505	1.5
97.10146	4.2
98.21570	1.5
105.04536	2.2
105.07027	19.4
107.08586	55.0
107.66353	1.6
109.06503	3.0
109.10165	13.7
111.07986	1.8
117.06971	3.2
119.08566	17.4
121.10137	44.2
123.08032	2.0
123.11678	6.1
129.06989	2.2
131.08569	6.0
133.10097	12.7
133.77020	1.2
135.10670	2.8
135.11681	50.5
137.09666	1.4
139.11162	2.0
143.08548	2.5
145.10071	6.4
147.04343	2.2
147.11693	9.6
149.09595	4.1
149.13255	31.5
151.11125	1.5
157.10165	1.9
159.11702	6.3
161.13225	5.6
163.11153	3.5
163.14810	9.8
171.11678	4.4
173.13255	2.3
175.11188	2.1
175.14799	5.0
177.12708	3.6
185.13257	2.3
199.14810	2.1
203.14308	1.8
206.24463	1.6
209.15321	2.0
213.16377	1.4
215.70073	1.4
217.19521	1.7
221.15295	1.9
241.19533	4.4
249.18504	3.2
259.20581	8.2
261.68997	1.4
291.23154	72.9
292.23413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.58066	1.6
55.01862	2.1
55.05504	12.4
56.96563	8.7
57.03415	2.6
57.07066	4.4
59.04999	2.1
60.25030	1.4
67.05496	11.9
69.03407	4.2
69.07050	5.5
71.04964	2.4
71.63197	2.9
79.05480	11.7
81.07043	14.9
83.04977	3.7
83.08617	10.4
84.96091	2.0
85.02887	4.3
85.06554	4.0
91.05483	8.7
93.07030	16.0
95.04955	6.0
95.08603	26.0
97.06512	6.3
97.10139	2.0
98.97562	6.4
98.98442	1.7
99.04449	2.4
105.06985	12.9
107.04958	18.3
107.08588	16.0
109.06516	8.6
109.10144	9.6
111.08075	43.0
116.98613	5.8
117.07018	2.2
118.32462	1.5
119.08591	11.1
121.06486	3.3
121.10155	11.2
121.76161	1.5
123.08062	41.9
123.08965	3.4
123.11633	2.9
125.09630	5.1
125.99460	1.9
128.06168	1.7
129.06960	4.3
131.08511	8.8
133.06465	2.6
133.10095	9.6
134.99620	5.4
135.08057	8.6
135.11659	5.7
137.09599	3.1
139.03902	3.2
142.07706	2.3
143.08556	5.0
145.10106	7.3
147.08081	4.1
147.11700	8.7
149.09584	7.4
149.13260	3.7
151.07536	100.0
153.09158	1.8
155.10623	3.8
157.10124	6.6
159.08000	3.8
159.11662	3.7
161.01219	3.0
161.09616	3.0
161.13232	3.4
163.11137	4.8
171.11659	5.8
173.09662	2.0
173.13293	9.3
175.11172	5.4
177.00575	1.9
177.08946	2.5
179.02602	1.8
179.10707	3.8
184.50575	1.9
185.13177	3.5
187.14876	2.1
189.00697	4.9
189.12726	28.0
189.16354	2.0
191.14296	18.5
192.11493	3.5
195.11664	1.7
197.11716	13.0
197.13284	2.8
207.13802	66.3
213.16348	2.2
215.14317	4.3
219.01706	2.0
231.13766	3.3
233.15353	55.7
235.13321	2.7
249.18456	2.9
255.17380	2.9
262.20944	2.1
272.04453	2.0
273.18362	9.5
291.16135	5.0
291.19510	73.2
291.22882	4.0
291.26532	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03940	1.8
55.01857	2.2
55.05510	7.6
56.96537	2.5
57.07078	4.8
57.22822	0.8
59.04982	3.5
61.13115	0.8
67.05497	8.3
69.03416	3.0
69.07065	6.7
70.49148	2.0
70.49563	1.7
71.04977	3.4
79.05482	8.2
81.07054	16.8
83.04975	3.0
83.08607	5.1
85.02906	1.5
85.06532	3.0
88.07625	1.0
91.05477	6.1
93.07040	12.9
95.04965	4.9
95.08599	21.4
97.06522	3.8
97.10152	1.2
98.97549	3.0
105.07030	13.5
105.74272	0.8
107.04942	5.1
107.08585	12.0
108.05721	1.2
109.02879	1.0
109.06509	6.0
109.10158	8.9
111.04458	1.5
111.08070	24.4
116.98605	3.4
117.06998	2.1
119.08576	10.6
121.06492	2.6
121.10133	8.8
122.07291	1.1
123.04462	1.1
123.08060	37.3
123.11697	2.7
125.09621	1.6
128.91229	0.9
128.98575	1.2
129.06985	2.1
131.08580	7.1
133.06496	4.4
133.10127	8.4
134.99654	1.7
135.08064	7.4
135.11697	4.7
137.05882	0.9
137.09592	3.9
137.13254	1.9
141.05515	1.0
141.06956	1.1
142.07773	1.5
143.08578	4.2
145.10110	16.5
146.99664	1.0
147.08049	2.5
147.11655	6.9
149.09645	5.1
149.13257	3.3
151.07532	100.0
155.10637	2.4
156.09354	1.9
157.10127	4.3
159.08032	1.7
159.11697	5.1
161.09642	4.3
161.13263	3.7
163.11180	4.9
167.08723	0.9
169.10146	1.6
171.11710	4.7
173.09633	1.2
173.13243	6.4
174.10352	1.3
175.11188	4.5
177.00706	1.1
177.09122	2.1
177.12711	2.0
179.10669	5.1
181.12190	1.2
185.13309	2.0
187.11142	4.6
187.14815	2.0
189.00714	1.5
189.12729	26.6
191.10617	2.0
191.14267	6.8
192.11443	4.7
193.11969	1.2
197.11703	16.0
197.13283	2.6
203.14357	1.9
203.17911	0.9
205.12236	1.1
207.13789	64.4
213.16313	2.5
215.14288	4.9
217.12279	2.5
229.23561	2.1
231.13866	1.4
231.17386	2.0
233.13208	1.4
233.15352	17.8
235.13258	3.0
237.02902	1.0
245.18987	1.3
249.18538	1.1
255.17438	4.3
273.18469	9.2
273.25787	1.9
291.19531	59.3
291.26801	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	291.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76047	0.4
55.01879	2.2
55.05497	1.0
56.05031	0.7
56.96558	20.5
57.03434	5.4
58.06589	0.5
59.88355	0.5
60.44775	0.4
61.02919	4.6
64.13598	0.5
67.54807	0.6
68.05021	0.7
69.03418	7.8
69.07065	0.4
69.82831	1.4
69.83247	1.5
70.02959	0.4
70.06596	0.8
70.54242	0.4
71.01340	0.7
71.04990	1.7
72.08153	0.9
73.02908	5.8
74.97603	1.5
77.00896	0.6
80.05003	0.7
81.03409	3.6
81.07098	0.7
82.06564	0.6
83.04975	0.9
84.04501	0.9
84.08137	6.5
84.96029	6.1
85.02898	13.6
85.06566	0.5
86.03232	0.5
86.06068	0.8
86.09699	0.6
87.04453	1.9
89.94145	0.5
91.03942	1.1
95.04971	0.6
96.04497	0.7
97.02290	0.9
97.02882	10.2
98.06049	0.5
98.09649	0.6
98.21484	0.5
98.97576	12.8
99.04449	1.5
100.07604	0.8
100.99138	1.4
101.00867	4.0
101.02383	0.5
102.05499	0.6
102.97030	1.6
103.02422	1.9
106.02854	0.7
109.02871	2.3
109.34376	0.6
110.06064	0.6
110.97555	1.9
111.04449	0.9
111.05551	4.6
112.05077	1.2
112.07589	0.6
112.99126	2.7
113.00861	1.7
113.02392	0.9
113.03466	0.8
114.05490	0.7
115.00697	0.6
115.02416	1.6
115.03929	1.3
116.07077	1.1
116.10723	1.6
116.98602	10.5
117.02168	0.6
119.00175	1.0
119.01907	23.2
120.01978	1.0
121.00813	0.7
121.01641	4.5
121.03497	1.8
122.06031	1.0
124.02895	0.6
124.03909	0.8
124.07519	0.6
124.99096	2.1
126.05486	0.8
127.03971	2.7
128.07034	0.7
128.98618	4.2
129.03999	0.9
129.05566	1.0
129.06580	14.1
129.07333	0.6
130.04990	0.9
130.08620	3.2
130.12320	0.7
131.00212	6.1
131.01891	11.9
131.02831	1.0
133.01747	2.5
133.03467	5.4
133.05011	1.3
134.99648	7.6
135.03220	1.0
135.05014	0.8
136.07515	1.1
137.02946	6.3
139.02676	0.8
140.02307	0.5
140.07025	0.7
141.06561	2.3
142.03575	0.6
143.00159	8.4
143.01868	6.5
144.98067	1.4
145.01701	1.4
145.02289	0.5
145.03445	6.7
145.04947	1.9
146.99652	3.8
147.03160	0.8
147.05008	7.9
147.11261	1.5
149.01193	5.8
149.02908	4.5
151.02696	0.7
151.04483	0.9
152.07030	0.7
153.00620	1.4
153.04099	0.4
153.05623	0.5
154.03535	0.6
155.01880	4.0
155.02979	0.7
156.02715	0.9
157.03444	5.0
158.01141	0.5
158.08276	0.5
158.99637	3.1
159.05066	2.1
159.07635	1.1
161.00067	0.6
161.01225	18.7
161.02951	30.8
162.03123	0.9
162.99158	2.9
163.02777	4.3
163.04366	3.3
165.00670	1.3
165.04767	0.5
165.06088	3.5
167.02095	0.7
169.04454	3.2
170.99655	1.7
171.04953	4.6
171.07423	0.6
173.01248	1.9
173.02925	12.5
173.06615	0.6
175.02794	1.6
175.04506	5.8
177.00706	5.4
177.04164	0.5
177.06076	0.6
178.04916	21.2
178.55057	2.1
179.02264	5.3
179.03986	1.4
180.04605	1.0
180.54805	1.3
180.56192	0.6
181.00197	1.3
181.03784	1.0
181.54152	0.7
182.04370	0.6
183.05020	2.0
184.02840	0.8
184.04582	1.6
185.01263	0.8
185.02890	5.4
185.06645	1.0
186.99184	2.2
187.00743	0.5
187.02785	1.0
187.04527	2.1
188.05231	0.6
188.54942	1.7
189.00685	4.0
189.02272	0.8
189.06035	9.0
189.55658	2.4
191.02222	2.4
191.03993	3.7
193.03809	1.9
194.54979	0.5
195.01746	1.3
195.05122	0.5
195.07216	0.5
196.04622	0.7
196.54654	1.5
196.56322	0.5
197.02937	1.2
198.06128	0.9
199.04457	0.8
201.00668	1.1
201.06044	8.8
202.06328	0.5
203.02278	1.1
203.03999	5.7
203.07597	2.6
205.00105	3.6
205.03780	0.9
206.03119	0.6
207.01768	1.2
210.04585	1.4
210.56216	0.9
211.04776	0.7
213.06096	0.9
214.03860	1.2
215.03856	0.6
217.00171	0.6
217.05582	0.9
219.01744	3.5
219.07121	3.0
221.03276	0.7
221.05077	5.0
223.01221	6.9
225.05751	6.3
231.01741	1.1
231.07167	3.0
233.03221	1.0
233.08781	1.3
235.06598	0.6
237.02834	6.0
245.05081	1.7
247.04724	0.5
248.99127	3.6
249.02705	2.6
249.08136	0.5
251.04373	1.1
255.07213	0.6
258.11874	0.5
259.06671	1.9
261.08167	1.1
263.00757	0.6
267.00208	5.9
267.03067	0.7
269.05515	0.4
273.08249	1.4
273.11047	0.7
273.14432	0.8
279.03781	0.5
281.05621	0.7
282.08688	0.4
285.01328	0.6
290.59338	0.6
291.10486	100.0
291.58981	1.3
292.09573	2.0
307.07101	0.9
309.04788	1.0
309.10410	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
53.00295	1.0
55.01865	2.7
65.03931	0.8
67.05498	1.6
68.99786	1.6
69.03416	0.8
70.03017	2.4
71.01347	0.7
73.02917	0.8
83.01324	0.6
83.04971	1.2
85.02879	2.3
86.08646	0.5
91.05456	1.7
93.03378	0.8
95.04955	2.6
95.56464	0.4
96.80903	0.4
97.02893	0.6
98.97574	0.6
99.00829	3.1
105.03383	0.4
105.06976	0.5
107.04942	0.7
110.56244	0.4
111.04431	3.4
115.05452	1.7
119.04926	4.6
123.04420	61.8
124.04780	0.5
124.39297	0.5
127.03909	0.9
129.06990	1.2
131.04939	0.5
133.06470	0.9
135.04388	0.5
137.02325	1.1
137.05977	1.0
139.03893	100.0
140.04193	1.3
141.07004	0.6
143.04915	3.0
147.04399	20.9
149.05960	1.7
151.03912	3.1
153.05501	0.7
153.30365	0.5
157.06483	1.2
157.07651	0.6
159.04318	0.7
161.05966	9.0
163.03917	1.3
163.07434	0.6
165.05469	16.5
165.06847	0.8
169.04941	2.0
169.06291	0.6
171.04424	1.0
175.07585	2.5
177.05487	2.2
179.07016	2.8
181.04918	1.1
184.05165	1.0
185.05937	1.0
187.07462	0.7
189.05438	2.3
199.12267	0.8
201.05360	1.0
203.06985	2.8
207.06511	7.0
212.04674	1.2
213.05418	0.5
217.04813	0.8
217.08452	0.6
227.07030	2.7
229.08517	0.8
231.06561	2.2
245.08044	4.1
245.12589	0.7
249.07584	1.2
255.06717	0.6
270.66193	0.5
273.07593	4.1
273.12289	5.4
291.08575	9.7
291.13379	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.2
55.01858	1.1
55.05508	0.8
56.96560	37.3
57.03424	1.2
67.05483	0.9
69.03417	2.2
69.07034	1.6
71.01334	1.9
71.04955	0.6
71.59826	0.8
71.95247	1.1
73.02894	2.5
74.97600	0.6
79.05486	0.9
81.03407	1.3
81.07045	1.1
83.01324	2.3
83.04970	1.2
83.08612	1.0
84.96029	10.7
85.02901	8.1
89.55376	0.5
91.05457	1.0
93.07034	1.0
95.01385	0.6
97.02869	0.9
98.97572	44.0
99.00806	16.2
101.02372	2.8
102.97063	1.8
105.07013	1.3
107.04937	2.2
109.02861	0.6
109.06558	0.7
110.96811	1.1
110.97556	17.1
110.98323	0.8
111.00797	1.1
111.08105	0.6
112.99136	4.9
113.02345	1.2
115.05440	0.6
116.98608	45.3
119.00142	1.0
119.05001	0.6
119.08615	0.6
121.06477	0.7
121.10126	0.6
123.04417	2.0
124.07547	0.7
127.03926	1.0
128.98592	45.1
129.01804	1.0
129.07014	1.0
129.26334	0.6
131.00157	15.8
133.10219	0.5
134.99646	30.0
135.04459	0.8
139.03911	2.9
140.00182	2.5
140.98503	0.6
141.06987	0.7
143.00169	1.2
143.04897	1.1
144.98061	2.8
146.99637	63.3
147.04359	1.2
149.01207	19.6
149.05934	1.3
149.09601	0.6
149.57976	0.6
152.00194	1.6
153.00710	4.0
154.01875	0.7
155.00261	1.2
155.02278	0.9
157.06488	1.4
158.01221	2.8
158.99628	5.9
159.08037	1.1
161.01198	2.1
161.05977	1.0
162.99153	6.9
165.00710	11.3
167.02229	3.4
170.01239	4.5
170.99626	19.7
171.01036	1.1
171.04433	0.9
171.08096	0.6
172.02817	1.1
173.01213	11.3
175.07520	1.9
176.02454	0.6
177.00684	8.8
177.05408	1.2
179.02190	0.6
180.80431	0.5
181.00198	1.8
182.99472	0.6
186.99171	1.9
188.02348	0.7
189.00697	100.0
190.00883	0.7
191.02248	7.1
195.01770	1.3
200.02324	1.0
201.00677	1.6
201.05420	1.2
203.07024	1.8
205.00162	1.2
207.01752	31.3
212.02306	10.5
212.04384	1.1
213.00691	2.4
213.05562	0.7
214.03859	1.4
217.08740	0.8
219.01845	1.0
219.06705	1.0
225.02812	0.7
227.06943	0.9
230.03345	1.8
231.01720	12.5
231.06551	1.8
245.02876	1.8
245.08040	2.9
246.11150	0.8
249.02809	20.5
267.03854	9.2
269.95404	0.6
272.04385	3.0
273.07581	2.3
273.12079	2.1
291.03638	1.4
291.08551	2.9
291.13464	3.3
291.16315	0.8
291.19669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1746
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05506	1.2
56.05026	0.9
56.96554	3.9
57.07073	1.2
65.03915	1.0
67.05499	8.0
69.07067	3.9
70.19782	0.5
74.06081	1.3
79.05479	2.1
81.07043	1.6
82.06565	2.5
83.04979	0.8
83.08646	0.8
83.91888	0.6
85.34108	0.6
88.07642	3.5
93.03399	0.9
93.07059	2.8
95.08591	1.3
95.40869	0.5
96.18256	0.5
97.06528	2.0
100.47216	0.5
105.07005	0.7
107.08585	2.5
109.10155	1.7
110.06036	32.5
111.04433	8.0
117.07003	0.7
118.08608	0.9
123.04419	1.6
127.03913	0.7
128.04227	1.0
135.11653	3.9
137.05983	4.2
138.05493	100.0
139.05763	0.8
143.08595	0.7
145.06476	0.7
163.07527	1.0
178.09329	0.7
191.25629	0.6
203.14342	0.8
213.56831	0.5
226.11128	11.9
228.23186	0.6
231.13828	3.2
242.24809	5.0
244.12190	10.0
267.13770	3.6
290.17523	7.3
290.26904	16.8
290.29654	1.2
291.19681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.61399	0.8
53.03930	1.0
55.01861	1.5
55.05508	12.8
56.96552	1.3
57.03437	1.4
57.07077	6.1
65.03923	1.0
67.05502	26.9
69.03419	2.5
69.07069	27.3
69.07446	1.5
69.33176	8.6
71.04977	2.0
71.08627	2.0
79.05055	1.1
79.05491	18.1
81.03409	1.5
81.07055	62.3
82.07356	0.8
83.04986	1.2
83.08617	9.1
84.04493	3.0
85.02886	2.1
85.06544	14.0
85.10194	1.0
91.05474	16.2
93.07043	33.1
95.04980	4.9
95.08604	61.6
97.06514	2.8
97.10196	4.5
98.21482	2.1
99.08083	8.5
105.07030	28.6
107.08589	34.6
109.06503	2.4
109.10155	34.1
109.10914	1.4
111.08114	4.4
111.11699	2.7
113.09637	3.4
117.07004	4.1
119.08574	28.2
120.08107	1.2
121.06480	1.0
121.10144	27.9
122.03583	1.1
123.04410	1.3
123.08054	1.4
123.11714	16.4
125.09620	4.8
127.03896	5.5
130.07701	0.9
131.08560	9.4
133.10126	26.4
135.11691	24.0
137.05968	21.0
137.09607	1.9
137.13297	6.8
139.11192	5.2
143.08574	1.2
145.10115	13.1
147.11684	27.4
149.13257	17.1
151.11160	2.3
151.14780	1.1
153.01846	1.6
153.12830	1.4
157.10150	1.4
159.11700	14.1
161.13249	25.6
163.11200	1.3
163.14822	12.2
165.12752	3.1
165.16403	1.1
167.14314	0.9
173.13264	11.3
175.14819	16.0
177.16411	6.0
179.14331	3.0
187.14815	5.7
189.16393	10.7
191.14319	0.9
191.17937	3.0
193.15868	2.7
201.16345	5.1
203.17906	2.3
207.17369	2.3
215.17944	8.2
217.19533	2.1
218.11707	1.5
219.17580	1.1
229.19502	2.5
231.21060	2.0
233.18944	2.1
243.21272	1.0
245.22569	1.4
271.10800	2.1
271.24210	21.2
289.06091	9.1
289.11423	1.9
289.25250	100.0
290.25644	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.88020	0.9
53.03921	0.9
55.01857	3.0
55.05506	14.2
56.53808	1.0
57.07058	4.1
67.05502	31.4
69.03406	2.3
69.07063	25.4
69.40081	7.8
71.04980	2.5
79.05485	20.6
81.07050	77.6
82.07363	1.0
83.04963	2.9
83.08616	10.0
84.04483	3.0
85.06529	11.4
89.19247	0.9
91.05473	16.2
93.07040	40.4
93.07625	2.1
95.04956	3.3
95.08598	65.5
96.08867	0.8
97.06512	2.2
97.10168	4.9
98.21433	2.2
98.97562	1.2
99.08079	7.8
105.07026	34.6
107.04929	4.7
107.08584	37.2
109.06490	1.9
109.10150	37.9
111.04449	1.1
111.08082	3.6
111.11728	1.9
113.09624	4.4
115.05425	1.2
117.07007	3.3
119.08571	25.8
119.09402	0.9
120.08802	1.0
121.10133	30.9
123.04430	1.6
123.08055	1.3
123.11712	17.1
125.09630	3.0
127.03909	4.8
129.06931	1.1
131.08580	8.2
133.10121	27.9
135.04407	2.8
135.11684	26.3
137.09610	1.8
137.13246	5.1
139.11182	6.6
143.08508	1.3
144.09283	1.2
145.10110	17.5
147.11678	23.9
149.02351	3.1
149.09518	1.2
149.13266	19.2
150.51930	1.2
151.11128	1.0
151.14841	1.6
153.01823	3.9
153.05432	1.2
153.12688	1.3
159.08022	1.6
159.11691	14.2
161.13246	22.3
163.03917	0.9
163.14799	11.6
164.07089	3.1
165.06969	1.9
165.12704	2.9
173.05923	1.3
173.13248	12.4
175.07596	1.8
175.14803	15.6
176.15196	1.4
177.16360	3.9
179.14310	2.5
181.04942	4.2
181.06427	1.1
183.07939	2.3
187.07475	1.3
187.14801	6.4
189.16374	10.5
191.07077	1.0
191.17926	4.1
193.15854	2.6
197.06035	1.5
199.07492	5.9
201.09184	2.2
201.16342	8.3
203.17949	2.9
207.17451	2.7
210.82767	0.9
211.07625	2.6
215.06999	3.4
215.17972	8.7
217.19519	2.8
219.17461	2.0
229.08635	3.5
229.19429	2.1
231.21143	1.9
233.08026	3.4
233.18997	2.8
239.07123	1.4
243.06537	3.2
245.22632	1.2
261.07281	1.0
271.06161	1.5
271.09625	4.0
271.14651	1.1
271.24182	28.0
289.07370	1.7
289.10739	8.9
289.25244	100.0
290.25589	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.53395	0.9
51.61079	0.9
53.03933	1.5
54.82130	0.9
55.01856	1.1
55.05507	11.4
57.03434	1.0
57.07072	8.5
63.77296	0.8
67.05167	1.4
67.05504	19.4
69.03445	1.1
69.07064	33.8
69.87715	3.8
71.04988	2.2
71.08631	1.9
79.05125	0.9
79.05493	10.5
81.07051	95.1
82.07392	1.4
83.08611	5.9
84.04504	3.2
85.06535	1.5
91.05486	6.6
93.07032	26.7
95.04942	2.6
95.08601	100.0
96.08924	1.1
97.06531	5.3
97.10157	3.3
99.08096	1.4
102.42226	0.9
105.07018	10.8
107.04941	2.0
107.08587	21.5
109.06480	1.2
109.10149	33.3
111.08058	2.1
111.11722	8.3
112.86123	0.9
117.06973	1.2
119.08572	11.8
121.10144	17.0
123.04401	1.0
123.11699	25.2
125.09638	1.2
126.05508	1.3
127.03909	3.2
131.08549	1.8
133.10143	8.0
135.04399	1.5
135.08090	0.9
135.11688	16.9
137.09610	2.6
137.13243	66.3
139.11171	5.1
145.10156	5.4
147.11678	9.0
149.13246	12.3
151.11195	1.5
153.12711	0.8
158.07195	1.0
159.11671	6.1
161.13260	6.0
163.14813	5.9
169.06686	1.0
169.18588	1.1
173.13248	3.2
175.14835	4.8
177.16414	4.7
179.14275	1.4
187.14821	4.1
189.16396	3.7
191.17909	1.9
200.75934	0.9
201.12003	0.9
201.16333	2.8
203.17836	1.6
215.17920	3.5
228.22847	0.9
229.19460	1.5
233.18880	1.0
245.22708	1.6
271.24197	12.6
276.95493	0.9
289.10742	1.8
289.25232	48.9
290.26935	1.9
307.25104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2522
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.01862	2.7
55.05501	13.1
57.03429	1.9
57.07071	4.4
65.03925	1.8
67.05498	32.1
68.99761	3.1
69.03411	5.8
69.07062	25.0
69.54179	10.5
69.54585	3.6
71.04996	2.5
71.08591	2.3
79.05479	23.8
81.03408	2.7
81.07049	71.7
83.04987	2.7
83.08601	8.2
84.04494	9.0
85.02888	9.3
85.06541	8.5
88.06265	1.8
89.03889	3.3
91.05476	20.8
93.06464	2.9
93.07032	44.1
95.04973	3.2
95.08597	74.2
95.79308	1.8
97.02864	8.7
97.06513	3.6
97.10163	4.1
99.08076	5.5
103.05461	2.4
105.04117	1.7
105.07020	29.6
107.04960	3.7
107.08579	37.2
109.06498	4.4
109.09445	3.7
109.10150	44.4
111.00789	2.9
111.04407	4.9
111.08124	2.2
111.11703	4.8
117.03354	5.0
117.07001	5.8
119.08568	27.1
120.08115	4.0
121.10133	29.6
123.04425	9.7
123.11695	16.6
124.07554	3.8
125.09600	3.0
127.03933	10.5
130.30069	1.9
131.08549	10.6
133.10112	27.5
134.05966	3.5
134.86981	1.7
135.04382	18.6
135.11674	28.0
136.07573	3.1
137.05972	2.8
137.09628	2.0
137.13190	5.0
138.99161	1.6
139.03873	6.0
139.11154	5.3
145.02826	6.9
145.10120	14.8
147.11661	21.6
148.07539	4.6
149.13223	18.6
151.11142	2.0
153.01813	66.1
153.05437	2.6
154.02159	2.8
157.10150	2.4
159.11661	11.8
161.13263	20.5
163.03902	45.2
163.14810	14.9
164.04214	2.8
164.07040	48.7
165.12769	2.9
171.02919	5.2
173.13245	8.9
175.14803	13.6
177.16357	6.6
179.03383	3.6
179.14250	2.3
179.36592	1.7
187.14819	6.5
189.16377	10.2
193.15927	2.0
201.16382	5.9
203.17921	3.6
205.04926	2.6
205.15903	3.4
215.17856	9.4
233.18973	2.5
271.06012	2.9
271.14362	8.1
271.24130	30.1
289.07028	66.5
289.15424	32.9
289.25223	100.0
290.07391	4.7
290.25488	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.66422	0.9
53.03930	1.8
55.01872	1.0
55.05503	12.5
55.13821	1.0
57.03444	1.4
57.07073	11.1
67.05500	22.0
69.03429	2.2
69.07066	37.4
71.04972	2.7
71.08604	1.4
71.15686	2.5
77.03909	1.2
79.05480	11.2
81.07052	92.8
82.07365	1.2
83.08611	7.1
84.04505	1.9
85.06502	1.7
86.25175	0.9
88.07626	1.6
91.04963	1.1
91.05430	6.8
93.07032	29.5
95.04958	3.8
95.08599	100.0
96.08920	1.9
97.06511	6.5
97.10159	3.0
103.05426	1.4
105.07022	13.3
107.08583	24.8
109.06486	1.7
109.10149	34.0
111.11713	5.9
119.08562	12.2
121.10136	17.9
123.11702	27.4
124.12053	1.0
127.03908	4.0
131.08574	5.2
133.10143	8.1
135.04356	1.4
135.11678	15.7
137.09650	2.4
137.13245	65.7
139.11191	5.8
145.10132	5.9
147.11633	6.5
149.13251	12.7
150.11337	1.6
151.11206	2.2
151.14833	1.6
159.11719	6.6
161.13275	6.4
163.14822	6.5
173.13280	3.8
175.14841	4.3
177.16338	3.7
187.14848	3.9
189.16377	3.1
191.17862	1.2
201.16438	2.8
203.17896	1.8
215.17938	4.8
228.23363	1.2
229.19640	1.3
245.22516	1.7
271.24155	13.9
289.06937	1.2
289.10593	1.3
289.21948	2.2
289.25241	45.4
290.26776	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03930	1.5
55.01867	1.3
55.05263	0.9
55.05508	14.1
56.96577	0.6
57.07078	1.0
59.04982	1.8
64.89667	0.7
65.03926	0.9
67.05498	19.1
69.03416	1.1
69.07062	14.7
71.04976	1.5
71.35075	1.4
73.06535	2.0
77.68402	0.6
77.78947	0.6
79.05483	13.0
81.07054	21.7
83.04944	1.6
83.08612	10.4
85.06540	4.5
91.05471	37.2
93.07034	16.3
95.04966	1.6
95.08599	17.9
97.06515	2.2
97.10152	1.3
99.08070	1.1
101.05995	1.0
103.05455	1.3
105.07022	47.5
106.07281	1.1
107.08576	9.2
109.06485	2.0
109.10135	8.2
111.08053	1.1
115.05436	1.0
115.31200	0.8
117.07011	12.5
119.08569	56.1
120.08894	1.7
121.06536	0.8
121.10143	7.2
123.08071	1.2
123.11671	0.6
125.09597	0.8
127.03917	9.9
127.07568	1.0
129.07014	3.2
131.08560	15.4
133.10120	25.0
134.10474	1.1
135.08014	2.2
135.11674	3.4
137.05927	1.7
141.06992	1.6
143.08551	3.6
145.10114	20.5
147.04295	0.7
147.07999	1.1
147.11671	27.1
148.12015	1.3
149.09599	2.5
153.01791	1.1
155.08516	2.7
157.10117	9.3
159.11676	25.5
161.09607	2.6
161.13235	16.7
163.11159	2.0
164.41371	0.6
169.10124	5.3
171.11664	6.4
173.13263	14.7
174.13655	0.6
175.11142	1.4
175.14784	3.1
177.12668	0.8
181.12250	0.8
183.11685	4.1
185.13297	2.1
187.11185	2.0
187.14813	2.3
189.12706	2.7
193.12262	1.0
197.13269	3.6
201.12691	1.7
211.14764	1.9
213.16412	1.1
215.14418	1.3
215.17915	4.0
229.15892	2.4
229.19456	1.6
231.13774	0.9
239.17894	11.0
257.18997	18.5
258.19174	1.3
261.22198	0.8
271.16867	0.9
288.04599	0.7
289.07040	1.6
289.21591	100.0
290.17606	0.6
290.21976	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	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01859	3.4
55.05506	24.4
56.96557	2.2
57.03439	5.5
57.07071	8.6
65.03932	2.3
67.05498	36.7
69.03407	3.4
69.07060	33.9
71.04646	1.3
71.04983	8.7
71.08613	2.6
71.25867	0.9
71.61117	1.7
77.88400	1.3
79.05487	25.6
79.05946	1.5
80.57834	1.1
81.03407	2.8
81.07051	100.0
83.04967	4.8
83.08144	1.2
83.08615	16.8
84.04504	7.0
85.02901	7.1
85.06535	10.1
91.05475	25.6
93.07037	55.4
95.04964	10.3
95.08598	87.4
96.08909	1.3
97.02901	1.7
97.06525	12.9
97.10155	7.5
98.97602	1.8
99.04419	1.9
99.08080	8.5
100.11261	2.5
103.03934	2.7
105.07027	42.1
107.04948	2.8
107.08583	42.0
109.02847	2.1
109.06526	7.6
109.10146	32.6
110.06042	1.3
111.04412	1.4
111.08115	6.0
111.11718	4.3
113.09653	2.0
115.05424	1.6
115.07529	1.4
116.98651	1.9
117.06992	6.5
119.08572	40.5
121.06485	3.6
121.10130	29.8
123.04420	2.9
123.08102	5.6
123.11698	16.0
125.09627	2.2
126.05520	1.8
127.03918	18.8
127.07595	1.5
129.06993	2.4
131.08566	10.8
133.10117	30.6
134.99600	1.9
135.04404	4.3
135.08057	3.6
135.11688	24.8
137.05940	4.8
137.09592	4.3
137.13229	10.4
139.03891	1.2
139.11168	3.7
141.07025	1.6
145.10097	15.4
147.04420	1.5
147.11676	29.5
149.09605	2.1
149.13235	16.6
151.03885	2.0
151.11214	6.8
151.14807	2.3
153.01805	2.0
155.08563	1.4
158.09666	1.2
159.11688	14.4
161.13246	41.5
161.14600	2.3
163.11182	3.8
163.14815	7.2
164.07169	1.1
165.09055	2.1
165.12779	3.4
169.10155	1.8
173.13248	10.4
175.11192	2.1
175.14847	9.5
177.16342	5.1
179.14314	22.8
181.04890	2.6
182.15405	1.8
183.08032	6.8
184.08385	1.8
185.13268	1.2
187.07475	4.7
187.14786	5.0
189.16402	5.4
191.14272	1.7
191.17937	2.3
193.12288	1.4
197.15341	4.2
199.11407	1.5
201.16446	6.7
203.17949	3.2
204.66467	2.8
215.06969	2.1
215.17957	7.0
217.12239	2.1
217.19542	1.4
229.19403	1.7
231.21066	2.3
233.18924	1.9
235.13266	2.7
243.06494	5.7
243.14865	1.4
243.21095	2.0
245.22719	2.1
253.14255	2.1
253.17891	2.5
258.14493	1.4
271.05994	4.1
271.14273	4.3
271.19028	25.0
271.24121	21.1
277.96381	1.3
289.06711	3.5
289.10696	10.6
289.15216	3.9
289.18253	4.2
289.25229	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87269	1.8
52.57163	2.2
53.03903	2.2
53.96012	1.8
55.01867	4.3
55.05503	4.8
56.15350	2.5
56.96559	1.9
57.33556	1.9
67.05501	13.1
69.00080	2.3
69.03405	2.4
69.07060	13.0
69.50380	18.2
71.04982	12.6
79.05482	21.0
81.07051	46.8
83.04983	15.6
83.08639	4.7
85.06551	5.4
91.05478	15.1
93.07039	56.5
95.04942	13.6
95.08593	34.0
97.05551	2.4
97.06530	31.7
99.04457	17.6
105.07026	35.3
107.04932	6.1
107.08597	27.4
109.06508	32.1
109.10175	5.3
111.08088	24.2
113.05973	4.6
119.04928	3.1
119.08585	20.9
121.06497	77.5
121.10148	7.2
123.04466	6.2
123.08038	5.3
123.11711	11.3
125.05994	18.3
127.07516	13.7
131.08560	6.5
133.10117	22.3
135.04419	8.0
135.08076	10.9
137.05978	3.5
139.07542	26.3
142.07727	3.9
143.07034	8.7
143.08548	7.8
145.10123	8.0
147.08092	2.8
147.11684	49.7
149.13272	2.5
151.11201	6.9
153.01817	11.1
153.09105	2.7
156.09341	3.5
157.08614	12.8
157.10130	17.0
159.06508	8.2
161.13300	14.4
163.03883	8.2
165.12753	16.9
169.12259	19.9
171.11674	15.9
173.13228	2.5
175.11182	33.6
175.12555	3.9
181.10120	2.3
189.12735	22.8
193.12225	36.8
199.11154	29.5
207.13792	19.2
211.13287	37.4
213.08815	2.5
217.12230	94.7
218.12589	4.3
229.14293	13.2
235.10905	5.0
235.13275	100.0
236.13489	3.6
253.14349	69.8
271.15457	6.0
289.06555	14.9
289.16428	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	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65862	5.0
55.01852	5.8
55.05515	11.5
66.61069	5.2
67.05495	18.4
69.07060	15.3
69.41964	50.7
71.04996	14.1
79.05513	26.1
81.07059	55.2
82.37251	5.5
83.04969	21.1
83.08615	9.4
85.02899	9.7
85.06535	6.4
91.05463	10.6
93.07038	59.6
95.04969	21.3
95.08607	44.4
97.06521	21.7
99.04456	32.1
105.07016	39.0
107.04970	6.4
107.08611	30.6
109.06513	35.3
109.10170	11.9
111.08084	24.3
113.05987	9.9
119.04926	5.7
119.08585	20.9
121.06496	79.2
121.10077	5.9
123.08094	8.0
123.11713	13.5
125.06007	9.8
127.03912	22.2
127.07537	12.2
129.07042	8.4
131.08612	10.8
133.10123	25.7
135.04381	6.8
135.08093	12.7
137.05972	9.1
139.07524	26.5
143.07047	13.6
145.10112	6.4
147.08073	8.2
147.11676	60.0
151.11186	8.7
157.08655	8.6
157.10123	12.2
158.07384	5.2
159.06538	14.7
161.13271	11.6
165.12743	20.7
169.12227	22.7
171.11720	20.6
175.11139	31.2
189.12773	33.3
193.12219	41.2
199.11150	33.0
207.13811	18.0
211.13295	41.5
214.48584	5.3
217.12222	95.9
229.14371	19.2
235.13295	100.0
253.14313	77.2
271.09634	7.9
271.14325	5.9
289.06281	18.1
289.10703	6.8
289.15201	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	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01863	7.8
55.05507	15.3
56.96549	5.0
57.03449	2.3
57.07067	2.3
61.02915	2.8
67.05504	20.4
68.99789	3.9
69.03435	5.9
69.07056	18.3
70.06561	2.6
71.04994	13.3
71.60476	4.8
79.05497	24.2
81.03413	7.2
81.07055	57.9
83.04974	21.0
83.08610	8.7
84.04500	26.9
84.08104	2.4
85.02898	9.5
85.06545	12.4
91.05465	16.0
93.07042	64.7
95.04955	23.2
95.08603	53.1
97.02868	2.9
97.06518	31.4
98.06088	2.2
98.97617	2.9
99.04446	24.0
99.08050	3.0
101.06037	3.3
103.03945	3.6
103.05485	2.6
105.07030	45.2
107.04932	12.6
107.08588	32.5
108.08099	2.5
109.02878	4.1
109.06516	31.4
109.10150	11.2
111.04407	5.1
111.08092	23.7
113.06003	8.0
115.05425	3.0
117.07021	5.0
119.04967	2.5
119.08577	26.4
120.08076	5.2
121.06497	83.8
121.10101	9.9
123.04421	43.9
123.08067	8.3
123.11713	12.4
125.05935	14.7
126.05521	7.1
127.03912	24.9
127.07536	12.9
128.98601	1.9
129.07027	4.0
131.08563	8.8
133.02821	2.4
133.06546	2.8
133.10117	26.7
134.99669	3.2
135.04414	8.5
135.08046	14.3
135.11699	4.0
136.07579	10.0
137.02350	4.9
137.05945	9.9
137.09625	4.5
137.13312	2.4
138.09137	2.1
139.03896	4.4
139.07532	27.2
141.05493	2.5
142.07776	4.6
143.07022	10.5
143.08548	8.0
145.06508	4.7
145.10097	12.2
147.08064	7.8
147.11671	55.0
148.07509	2.9
149.02306	11.7
149.09613	2.5
149.13168	5.0
151.03851	3.4
151.07529	2.5
151.11179	8.3
153.01761	10.4
153.09084	2.4
155.08540	2.8
156.09335	3.9
157.06532	2.9
157.08603	12.5
157.10138	16.9
159.06540	19.0
159.07932	4.1
159.11665	2.5
161.06064	2.3
161.09596	2.1
161.13225	11.9
163.04002	2.8
163.11206	2.5
164.07030	5.9
165.12790	19.8
166.07666	3.9
167.03403	3.4
169.01338	3.2
169.06482	5.3
169.12227	21.7
171.11661	16.5
173.08185	3.1
173.09605	3.3
173.13150	2.7
175.07472	2.1
175.11159	34.3
181.10063	4.5
189.09132	2.4
189.12733	24.0
191.10760	2.3
193.12213	30.0
197.06038	4.5
199.11142	30.7
205.05144	2.8
207.13782	19.7
211.13260	39.2
215.07066	8.1
217.10132	4.9
217.12225	97.2
225.14786	2.9
229.08638	2.4
229.14233	16.9
235.13275	100.0
243.06523	8.7
243.14899	11.5
245.16470	2.9
253.14339	68.1
271.05911	11.6
271.10641	3.4
271.14526	13.6
289.07126	13.5
289.11484	10.4
289.15506	14.7
289.17783	3.8
289.18460	4.2
289.22040	2.3
289.25247	7.3
290.08707	5.1
309.40765	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03917	0.8
55.05510	2.3
56.96570	0.7
57.03419	0.5
57.07060	1.4
65.03938	0.8
67.05506	2.3
69.03410	0.6
69.07066	4.6
70.28530	1.2
70.28925	1.0
79.05505	3.4
81.03400	0.8
81.07058	8.5
83.04977	0.7
83.08604	1.7
84.04484	0.9
85.02901	1.2
85.06549	0.5
86.94356	0.5
91.05478	6.0
93.07047	5.5
94.06555	1.5
95.04957	1.7
95.08607	7.3
96.08117	2.0
97.02869	0.7
97.06509	0.5
97.10174	0.9
99.08096	0.4
100.64630	0.5
105.07033	3.2
106.06532	1.4
107.04940	0.8
107.08599	4.2
108.08117	0.9
109.06543	0.6
109.10148	3.8
111.04501	0.5
111.08083	1.0
111.11739	0.6
116.04985	0.8
117.05721	0.7
117.07000	0.5
118.06554	5.1
119.07266	0.5
119.08574	2.8
120.08097	11.0
121.06483	0.9
121.10151	2.2
122.09608	1.2
123.04362	0.5
123.11722	2.5
124.07580	10.1
126.05480	0.5
126.09150	1.1
127.03928	4.6
131.08557	1.5
133.09241	0.4
133.10135	2.8
134.05984	5.1
134.99721	0.6
135.04408	0.9
135.07990	0.4
135.11688	2.2
136.07556	6.3
137.02335	1.9
137.05986	0.8
137.13242	1.7
138.05540	2.2
138.09114	0.6
139.03899	1.3
143.08577	0.7
145.10139	2.1
146.06024	3.8
147.06804	2.0
147.11671	3.5
148.07561	11.1
149.13261	1.6
150.09166	0.9
151.03947	0.7
152.07079	1.7
157.10074	0.5
159.11696	1.6
161.06139	0.7
161.13229	1.2
163.14894	0.8
164.07062	100.0
165.07489	1.9
166.08621	3.1
173.13275	1.1
175.07552	0.5
177.16367	0.5
187.14835	0.8
188.07022	0.7
189.16415	0.9
200.10689	1.0
201.16374	0.5
214.10965	0.8
215.15485	1.6
215.17934	0.9
216.10207	2.4
226.12154	1.0
229.13394	1.0
243.14894	5.1
245.16469	2.7
253.13367	1.5
254.11778	1.1
257.64227	0.7
271.14423	19.5
271.16833	1.0
271.24173	1.6
272.14642	0.5
289.15460	79.8
289.25171	8.4
290.08945	0.7
290.15723	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1544
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
51.63776	0.5
53.03936	0.6
53.37382	0.6
55.05483	2.1
59.96390	0.4
61.63673	0.4
65.03926	0.6
67.01858	0.8
67.05482	1.9
68.60613	0.4
68.99779	0.8
69.03405	0.7
69.07068	2.6
69.43471	4.4
79.05489	2.6
81.03410	0.9
81.07048	6.7
83.08612	0.9
84.04493	2.6
85.02882	1.0
85.06544	0.6
88.30367	0.4
89.03899	1.3
91.05476	4.3
93.06500	0.7
93.07027	3.6
94.06537	1.0
95.04948	0.9
95.08598	5.8
96.08117	1.8
97.02881	1.0
102.70137	0.4
105.07030	2.2
106.06526	1.5
107.04967	1.5
107.08605	3.3
108.08067	0.5
109.10168	3.1
111.00811	0.6
111.04440	1.2
116.04992	0.7
117.03352	1.5
117.05767	0.7
118.06538	3.9
119.07287	0.8
119.08559	2.1
120.08093	13.8
121.10140	2.3
122.09619	0.5
123.04443	2.5
123.11704	2.0
124.07584	9.0
125.09582	0.6
126.05511	0.6
126.09147	1.3
127.03871	1.6
128.24466	0.4
131.08574	1.0
133.10120	1.8
134.06013	5.5
135.04399	5.0
135.11668	2.0
136.07567	5.4
136.19287	0.4
137.05948	0.7
138.05479	2.2
139.03879	1.4
145.02867	2.4
145.10088	1.1
146.05951	3.7
147.06773	2.5
147.07758	0.5
147.11656	1.5
148.07568	10.2
149.13249	2.1
150.09090	0.8
151.11191	0.5
152.07037	0.9
153.01820	27.6
154.02159	1.1
159.04378	0.5
159.11656	0.8
161.13277	1.2
163.02524	0.9
163.03894	18.4
163.14862	0.7
164.07057	100.0
165.07451	2.6
166.08652	2.7
171.02899	2.0
173.13295	0.9
175.14891	0.9
179.03392	1.7
187.03914	0.9
187.14880	0.7
189.16364	0.9
200.10692	0.9
214.10977	0.8
215.15459	1.2
216.10193	2.5
226.12349	0.5
228.10274	0.5
229.13382	1.1
243.14906	7.5
245.16415	3.0
253.13264	1.1
254.11861	0.9
271.06094	0.7
271.14413	21.0
271.24118	3.7
272.14911	0.8
289.07062	28.0
289.15445	86.9
289.25101	7.7
290.07581	1.9
290.15692	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	289.1069
Annotation	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.03941	2.2
55.01862	4.5
55.05505	7.2
56.95094	0.6
56.96547	0.9
57.03426	1.3
57.07065	2.8
59.04978	0.8
65.03939	1.5
67.05161	1.3
67.05500	14.9
68.99772	2.0
69.03423	2.1
69.07063	15.2
69.41222	2.6
69.41651	4.2
71.04988	2.2
73.02917	1.2
77.03931	1.4
79.05485	16.6
81.03409	1.6
81.07050	37.1
83.04964	3.2
83.08611	6.2
84.04490	2.6
85.02902	2.3
85.06549	4.0
91.05473	11.4
93.06463	1.3
93.07037	23.1
95.04957	9.9
95.08596	33.8
97.02876	2.2
97.06524	5.9
97.10151	2.8
97.83138	0.7
98.97560	1.4
99.04440	6.0
99.08077	1.6
105.07022	16.7
107.04282	1.3
107.04951	18.0
107.08582	20.0
109.02824	1.0
109.06508	8.0
109.10144	20.8
111.04440	1.7
111.08073	3.6
111.11716	2.0
113.09656	0.8
117.07001	2.0
119.04930	5.5
119.07779	1.2
119.08577	12.9
121.06497	10.8
121.10136	14.9
123.04414	17.5
123.08048	2.5
123.11699	11.8
125.02369	1.0
125.05982	14.8
125.09611	1.5
126.05508	1.0
127.03896	6.3
127.07547	1.5
129.06960	1.7
131.08549	5.2
133.10124	12.0
135.04401	2.4
135.05460	1.6
135.08047	3.1
135.11691	9.7
137.05963	100.0
137.09612	2.4
137.13239	5.2
138.06308	2.0
139.03870	1.0
139.07523	4.4
139.11198	1.4
141.06972	1.6
142.07755	1.0
143.07034	1.4
143.08517	1.7
145.06479	1.2
145.10100	7.4
147.04404	7.2
147.08061	1.1
147.11674	15.1
148.04933	0.9
149.05995	0.9
149.13258	9.2
151.03888	22.7
151.07523	1.0
151.11125	2.1
151.14905	1.1
153.01808	1.3
153.05449	31.3
155.08582	1.4
157.06517	1.1
157.08693	1.8
157.10121	4.0
158.07315	1.1
159.06543	1.3
159.07977	1.0
159.11679	5.1
161.05928	1.5
161.09615	1.1
161.13246	9.9
163.03879	2.1
163.07523	1.3
163.14792	6.3
165.01883	0.9
165.05473	10.3
165.06860	1.5
165.12758	5.3
169.01332	2.2
169.08676	0.7
169.12221	1.7
171.11679	2.2
173.06050	1.0
173.09657	1.1
173.13205	3.9
174.06773	1.0
175.07547	1.8
175.11188	4.9
175.14830	3.8
177.05469	1.0
177.12782	1.0
177.16396	3.3
179.14314	1.7
181.10181	1.0
182.07286	0.9
183.08081	1.5
183.11850	0.7
185.05980	1.0
186.06750	1.6
187.07559	2.2
187.14793	3.6
189.12737	3.0
189.16341	5.0
191.07042	2.0
191.14333	1.1
191.17960	1.7
193.12227	4.0
199.07568	1.2
199.11250	3.6
200.08426	1.4
201.09079	8.5
201.16287	4.3
203.17970	1.5
207.13809	1.7
207.17424	1.4
211.07474	1.9
211.13223	3.6
215.07036	1.1
215.10718	2.0
215.17908	4.8
217.12233	12.2
217.49197	0.7
218.07193	0.9
225.08974	1.1
228.07750	1.1
229.08554	3.2
229.14241	1.0
229.19461	1.5
233.19009	1.4
235.13249	12.2
243.06418	0.9
243.10106	12.4
245.22641	1.5
253.08527	1.4
253.14273	6.9
256.07349	0.9
259.09631	2.9
261.11264	3.9
271.09622	17.6
271.24200	15.4
280.14273	1.4
289.06070	9.0
289.10660	12.4
289.14130	1.0
289.15009	0.8
289.18201	2.0
289.25223	39.4
290.08786	0.9
295.19412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01853	1.0
55.05497	0.9
56.05048	0.3
56.96559	4.2
57.03439	2.3
58.42621	0.3
61.02924	2.2
69.03429	4.8
70.02943	2.3
70.06596	1.4
71.01332	0.4
71.04979	0.8
73.02921	2.1
73.06573	0.3
74.97606	0.4
81.03422	3.1
81.07051	0.4
82.02933	0.6
82.06554	0.9
84.04501	1.3
84.08125	0.6
84.96037	0.5
85.02906	24.0
86.09647	0.3
87.04495	0.7
91.03945	0.5
91.05468	0.5
93.07048	0.4
95.01267	0.3
96.00855	5.2
96.04481	0.5
97.02893	9.0
98.06079	0.3
98.97573	6.2
98.98227	0.5
98.98480	0.4
99.04434	1.6
103.03929	0.9
107.04930	0.9
108.04478	0.6
109.02892	2.8
109.03973	0.8
109.06477	0.4
109.96535	0.3
110.97591	0.3
111.04459	0.4
112.03966	4.3
112.40962	0.3
116.98622	5.8
119.01926	1.0
119.04966	0.4
119.08600	0.3
121.06482	0.4
122.06049	0.3
123.04441	0.7
124.03938	0.4
126.76465	0.3
127.03944	14.0
127.05029	100.0
128.04393	0.3
128.05373	0.7
128.07069	2.9
128.98599	1.2
129.07390	0.9
134.99667	3.7
137.05936	1.3
139.03865	1.0
139.04951	0.4
143.00005	0.4
145.04947	2.0
146.12112	0.3
146.99622	1.5
147.04413	1.0
149.05994	0.5
150.05446	0.4
150.99115	1.1
151.03838	0.4
151.83633	0.3
153.00697	0.4
155.04648	1.2
158.01328	0.3
158.99594	1.5
160.06010	0.3
161.01210	0.7
161.03038	0.5
162.99121	0.8
163.02742	0.8
163.04149	0.5
163.06032	0.4
164.05106	0.6
165.00768	0.4
166.93285	0.4
167.07025	0.6
169.00157	0.8
169.06090	6.6
172.04877	0.4
173.09247	0.5
177.00711	4.1
179.02046	0.4
182.03336	0.3
186.99008	0.4
189.00673	0.6
193.00154	0.6
193.06149	0.5
195.01740	0.4
197.05977	0.3
199.04420	0.3
203.03906	0.4
205.00237	0.5
206.98235	0.3
208.05046	0.4
215.41823	0.3
215.55856	0.3
217.05426	1.1
219.01761	1.3
221.05028	0.4
223.01221	1.2
227.06805	0.6
229.05107	0.4
235.07240	0.7
237.02835	2.6
239.00703	0.6
248.99207	0.7
253.08339	0.3
255.03770	0.6
260.04468	0.3
267.00195	2.2
271.09369	0.6
280.07089	0.8
285.01227	1.7
288.60303	0.4
289.03909	0.6
289.09290	3.1
289.11914	0.7
289.14996	0.7
289.20630	0.5
290.01730	0.6
307.07047	0.6
309.08685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03924	0.5
55.01865	0.3
57.03421	0.3
61.02940	0.9
65.55868	0.2
69.03429	1.5
70.73681	0.6
73.02928	0.2
73.62972	0.2
81.03407	0.9
85.02418	0.3
85.02898	5.1
87.41986	0.2
91.03932	0.4
97.02887	1.3
99.04436	0.2
109.02873	0.6
127.03908	100.0
128.00578	0.2
128.04250	1.3
145.04950	0.6
217.76669	0.2
285.01205	0.2
289.12540	4.3
310.24365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01870	3.6
55.05495	3.5
56.96557	56.7
56.96836	3.3
57.03430	9.4
58.94290	1.8
61.02917	8.2
61.89808	1.8
69.03426	23.0
69.07041	2.0
69.69881	2.7
69.70291	10.9
70.02954	1.9
70.06592	13.6
71.04988	3.9
71.95259	1.9
73.02903	11.3
74.97599	5.1
81.03424	11.2
81.07014	2.3
82.06527	1.8
83.04977	3.2
84.04483	4.3
84.08148	2.9
84.96017	5.9
85.02898	47.8
85.06500	2.7
86.34328	1.9
87.04436	4.7
91.03961	2.1
91.05483	31.8
96.00857	4.6
97.02885	35.0
98.21435	3.8
98.96918	4.0
98.97570	80.1
99.04446	3.4
107.04947	3.6
109.02887	9.4
109.06528	2.1
110.97552	4.5
111.04462	2.4
112.03931	2.6
116.00291	2.0
116.07114	3.6
116.98609	79.5
119.01906	16.1
119.04947	28.4
121.06527	2.0
123.04443	3.9
124.03903	2.0
127.03900	66.8
127.05025	86.0
127.08669	2.5
128.02319	4.4
128.07048	3.6
128.98596	11.0
130.52647	2.0
131.00143	1.8
131.01883	2.4
133.01761	2.5
133.03523	2.2
134.99649	60.2
135.04324	3.3
137.02910	6.6
137.05962	44.6
139.03935	3.5
140.00206	2.7
143.00180	3.6
145.03378	2.2
145.04951	8.4
146.99628	20.6
147.04391	56.2
148.04730	4.2
149.01283	2.8
149.02872	2.2
150.99190	5.2
151.07542	3.1
153.00679	9.7
153.01830	6.5
154.54939	1.8
155.08186	3.8
158.01245	4.8
158.99643	23.0
161.01167	9.7
161.02948	5.7
162.99213	4.5
165.00667	5.9
167.06995	2.3
169.00200	4.9
169.06097	6.3
170.05167	4.2
170.99658	3.6
173.01260	3.2
173.02824	3.9
174.99103	2.5
175.02823	9.4
177.00697	52.5
177.02129	1.8
179.05704	2.4
179.07018	12.3
181.00131	3.6
182.03371	4.4
185.04237	4.7
187.04497	5.3
189.00705	5.2
191.02266	3.7
191.03882	3.7
193.00168	12.2
193.03819	14.0
195.01700	3.0
197.08267	2.3
199.02831	3.1
199.04402	11.8
200.02295	5.4
201.00763	5.4
201.02454	3.1
201.04132	2.6
203.02290	2.7
203.05289	8.4
207.01717	3.3
207.03513	3.1
208.04915	34.6
208.55032	6.0
208.96527	2.1
213.04375	2.6
217.05440	100.0
217.55608	15.6
218.37445	2.1
219.01749	15.7
219.55710	10.0
223.01317	3.7
228.56267	11.4
229.01843	2.6
229.05672	2.7
231.03583	3.2
235.02879	8.0
237.02736	22.8
239.00641	3.9
240.06888	2.6
243.01735	2.4
243.07098	2.2
248.06155	3.4
248.99255	3.9
249.06903	3.0
250.06065	4.3
253.03877	8.5
254.14435	2.4
255.03821	2.5
261.02893	5.9
265.06268	2.0
267.00226	13.8
271.06470	53.2
271.56644	4.4
280.07040	8.5
285.01202	9.0
289.06567	10.7
289.08881	27.8
289.12323	4.7
289.15063	6.4
289.20660	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.14030	0.9
50.58227	1.1
51.02386	1.3
52.51951	0.9
53.03936	1.2
54.27784	1.2
55.01863	1.9
55.05504	2.9
57.07064	1.3
62.82446	1.2
65.03941	1.4
65.88670	1.1
66.00838	1.1
67.01868	1.4
67.05511	6.8
68.99780	3.6
69.03428	4.1
69.07058	4.3
69.62930	1.1
71.00343	2.0
71.00717	2.7
71.04987	4.0
76.48664	1.1
79.05491	7.8
81.03409	2.0
81.07052	12.8
83.04974	4.3
83.08626	2.2
85.02904	2.3
85.06541	3.4
88.90149	1.1
91.05494	7.5
93.07035	12.1
95.04944	5.5
95.08602	8.9
95.29623	1.1
97.02898	1.7
97.06525	6.8
98.97597	1.6
99.04456	4.5
99.08075	1.4
105.07006	8.5
107.04948	70.6
107.08597	5.9
108.05308	1.4
108.20505	1.1
109.06519	4.9
109.10146	3.3
111.04435	5.0
111.08076	5.2
115.05463	1.3
116.98602	2.2
117.07039	1.3
119.01926	1.5
119.04948	4.4
119.08569	6.2
119.88014	1.1
120.08154	1.7
121.02861	10.4
121.06513	14.5
121.10155	4.0
123.04414	18.0
123.08073	1.7
123.11713	1.9
125.05964	2.8
127.03904	12.5
129.06999	1.5
130.06532	1.5
131.04936	2.2
131.08534	3.2
133.10123	4.3
135.04417	8.0
135.08063	2.1
135.11678	1.8
136.07619	2.3
137.05977	3.0
139.03864	6.5
139.07532	4.7
141.06975	2.2
141.11177	1.2
143.07034	1.5
145.06520	1.7
145.10210	1.6
147.04468	2.8
147.08035	2.6
147.11670	7.5
149.02332	74.4
149.06070	1.5
151.03938	2.3
151.11101	1.5
153.01820	100.0
157.08597	2.4
157.10132	3.7
158.65956	1.1
159.06512	3.2
161.13261	2.9
163.03989	2.4
164.07088	1.7
165.12778	3.9
167.03439	7.5
169.06398	6.1
169.12277	3.9
171.02849	2.3
171.11708	3.0
173.06021	2.0
175.11189	5.0
177.00723	2.0
189.12766	5.7
193.12195	6.2
195.02885	10.8
197.05984	5.7
199.11218	5.2
207.13791	3.8
211.13312	8.1
214.52376	1.3
215.07014	63.3
217.12233	16.5
229.05026	1.5
229.14410	1.9
233.15218	1.3
235.13286	18.2
243.06532	67.6
243.14891	1.8
244.07079	1.3
253.14294	14.3
261.07532	2.4
271.06000	23.9
271.10669	1.7
271.14413	3.4
271.17175	1.7
289.06818	29.0
289.11713	3.1
289.15375	5.7
289.18222	2.4
289.25186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39553	0.5
69.77889	1.8
69.78318	1.3
85.02888	0.6
98.20781	0.6
101.00888	0.6
101.79712	0.5
119.01928	1.4
121.06524	0.6
125.04339	0.5
142.08595	0.5
143.01886	1.9
161.02924	4.6
204.34477	0.4
253.84378	0.5
273.24789	0.5
287.10980	100.0
288.11450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03423	2.0
68.99818	0.9
69.03427	0.9
69.07086	0.7
69.27967	6.4
69.28388	2.3
78.04712	1.0
79.05489	7.1
91.05463	2.4
93.07034	1.4
95.04977	2.1
98.20755	1.2
99.36705	0.8
103.05459	7.7
105.07014	6.8
106.04166	1.0
107.04951	56.0
107.08624	0.9
111.29572	0.8
115.05454	4.0
117.07059	1.4
118.00278	0.7
120.05678	2.0
121.06527	1.5
121.10203	0.9
122.06072	1.1
123.04417	2.8
124.05197	2.8
124.29134	0.9
125.06042	1.2
131.04889	1.3
133.06500	2.1
135.08044	15.1
137.06004	2.3
145.07594	1.9
147.04356	0.8
149.02298	1.1
149.05994	1.2
151.07533	1.2
151.31047	0.8
152.04648	2.2
154.06186	2.3
163.07539	37.2
165.09093	1.2
167.07033	100.0
168.07454	0.9
180.07809	3.7
181.08617	1.2
193.08580	4.0
195.08362	1.8
195.10156	31.2
211.09668	6.5
213.11214	36.3
287.05536	5.5
287.10089	2.7
287.14178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
51.08566	0.1
53.03938	0.2
55.01856	0.2
55.05496	0.3
55.59626	0.1
57.03440	0.1
62.84706	0.1
65.03934	0.9
67.01840	0.2
67.05497	0.9
68.99786	2.4
69.03413	0.3
69.07050	0.5
70.53942	0.5
79.05472	0.9
81.03396	0.3
81.07061	0.6
83.08597	0.1
85.02896	0.1
89.03892	0.2
91.05475	0.6
93.03418	0.1
93.07032	0.5
95.04964	1.4
95.08578	0.6
96.91587	0.1
97.02831	0.1
97.06536	0.1
103.05464	0.3
105.03381	0.9
105.07001	0.4
107.04962	1.3
107.08586	0.3
108.02096	1.6
109.02885	0.9
109.10145	0.2
111.00809	1.4
111.04425	1.1
111.08076	0.1
115.05389	0.1
117.03387	0.6
117.07007	0.2
119.04880	0.3
119.08563	0.4
121.02862	6.6
121.03933	0.4
121.06495	0.3
121.10123	0.3
123.04431	0.7
123.11697	0.2
125.09642	0.1
126.43929	0.1
127.03869	0.2
128.06210	0.2
129.06990	0.3
131.04936	0.1
131.08495	0.1
133.02808	0.8
133.10110	0.4
135.04422	1.3
135.11685	0.2
136.01567	0.2
136.81480	0.1
137.02333	2.7
137.05940	0.1
141.06970	0.3
145.02827	0.7
145.06470	0.4
145.10109	0.2
147.04387	1.3
147.11642	0.1
149.05911	0.2
149.13258	0.2
151.03891	55.0
152.04214	0.6
153.01816	9.7
154.02603	0.8
157.06462	1.3
157.10139	0.2
159.11708	0.3
161.05946	0.2
161.13223	0.2
162.05481	0.2
163.03894	2.6
163.07437	0.1
163.14720	0.1
165.00511	0.2
165.01826	3.1
169.06467	0.2
171.03064	0.2
171.04364	0.6
171.11626	0.1
173.13280	0.2
175.03831	0.2
177.05464	0.7
183.02890	1.4
185.05933	1.1
189.05507	0.4
194.02197	0.2
197.05995	0.2
199.03867	0.2
199.07500	0.1
201.07143	0.1
203.07019	0.3
208.84731	0.1
211.92639	0.1
213.05458	2.9
213.16277	0.1
216.04228	0.1
217.04805	0.3
223.07634	0.2
226.06358	0.2
227.10742	0.1
229.04953	0.5
231.06447	1.3
241.04918	1.6
243.06410	0.2
257.04468	0.4
258.05225	2.0
259.06070	0.7
269.04590	0.3
269.08051	2.2
269.22672	0.1
272.06781	2.2
287.05496	100.0
287.09039	20.9
287.23520	0.7
288.05862	3.9
288.09412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	Vestitone
Peak:m/z	Relative Intensity
53.03937	1.4
53.38797	0.8
55.01853	2.5
55.05503	1.5
56.96536	1.4
57.03424	1.3
57.07079	0.9
63.29710	0.7
67.05493	3.6
68.99783	5.8
69.03421	1.4
69.07047	2.5
70.06952	0.8
71.01344	2.0
73.02895	1.9
77.03896	0.7
79.05495	4.1
81.03436	0.9
81.07053	6.8
83.08620	0.8
89.55404	0.8
91.05477	9.0
93.07040	7.4
95.04983	4.9
95.08595	3.9
96.42771	0.9
97.06496	1.0
98.97568	1.9
103.05462	4.2
105.07008	2.3
107.04951	19.5
107.08588	1.8
109.06520	2.8
109.10127	1.2
111.04430	0.8
116.98627	2.7
119.04936	8.7
119.08585	1.7
121.02856	2.4
121.06501	17.5
121.10126	2.2
123.04416	12.7
123.11702	2.0
125.05949	1.5
133.10143	1.5
134.03625	0.9
134.99669	1.0
135.04410	22.2
137.02310	1.0
137.05978	13.9
141.05421	1.3
146.99590	1.0
147.04404	16.0
148.05225	1.4
149.01218	1.0
149.05968	19.0
150.03125	1.4
151.03886	1.0
153.01823	0.9
153.05470	3.6
153.06668	0.8
158.99728	0.8
159.11673	1.0
160.05145	0.9
161.05878	0.9
163.03903	59.4
163.98889	0.8
165.05470	13.3
171.08060	1.4
175.03882	2.4
177.00696	1.9
177.05476	8.8
178.02643	1.9
178.06230	5.5
181.04912	2.4
181.06393	1.3
185.05927	1.4
187.07593	1.9
193.04956	49.8
199.07625	1.4
213.05466	2.1
213.16559	0.8
221.11107	2.8
227.06963	3.5
229.04915	1.2
239.06961	1.0
241.08514	1.3
255.06570	2.0
256.07263	1.7
257.04431	5.4
257.81149	1.0
259.09665	18.2
269.08011	2.3
272.06805	8.6
287.05521	23.5
287.09097	100.0
287.20016	2.8
287.23654	4.1
288.09387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
53.03924	0.2
55.01853	0.1
55.05495	0.1
65.03922	0.6
65.12757	0.1
67.01840	0.3
67.05498	0.4
68.99427	0.1
68.99781	1.8
69.03412	0.2
69.07044	0.3
70.53918	0.2
70.54269	0.2
78.25871	0.1
79.05481	0.8
81.03406	0.4
81.07044	0.6
89.03883	0.2
90.93900	0.1
91.05441	0.3
93.07027	0.3
95.04968	0.9
95.08595	0.5
97.06525	0.1
103.05434	0.3
105.03384	0.6
105.04421	0.1
105.07008	0.4
107.04950	1.1
107.08580	0.3
108.02062	0.8
109.02870	0.7
109.10120	0.3
111.00783	1.2
111.04433	0.8
115.05402	0.2
117.03368	0.3
117.06991	0.1
119.04899	0.2
119.08561	0.3
121.02856	5.2
121.03879	0.3
121.06511	0.2
121.10125	0.3
123.04398	0.5
123.11654	0.1
127.03876	0.2
128.06204	0.1
129.06995	0.3
131.04916	0.1
131.08525	0.2
133.02800	0.6
133.10126	0.5
135.04416	0.9
135.08022	0.2
135.11673	0.2
136.01653	0.2
137.02316	2.2
137.13217	0.1
139.03908	0.1
139.05409	0.1
141.06892	0.2
141.91016	0.1
143.04861	0.1
145.02824	0.6
145.06493	0.5
145.10059	0.2
147.04395	1.0
147.11662	0.1
149.02353	0.1
149.13232	0.2
151.03885	32.2
152.04239	0.3
153.01810	8.1
154.02576	0.5
154.84698	0.1
157.06464	1.0
157.10127	0.2
159.11685	0.3
161.05962	0.3
162.05499	0.5
163.03896	1.6
165.01822	3.0
167.03433	0.1
169.06433	0.2
171.02945	0.2
171.04407	0.6
173.13251	0.1
175.03896	0.2
177.05457	0.3
183.02876	1.4
183.04457	0.1
185.05942	0.9
185.13394	0.1
189.05463	0.2
189.16380	0.1
195.04517	0.1
195.08083	0.2
197.05988	0.3
199.03879	0.1
201.05276	0.1
201.16350	0.2
203.03371	0.1
203.07114	0.2
213.05435	2.7
216.04195	0.2
217.05022	0.2
229.04945	0.4
231.06487	1.1
241.04877	1.5
241.08624	0.2
242.05418	0.1
243.06557	0.2
245.04333	0.1
257.04510	0.2
258.05246	1.9
259.06064	0.6
259.09549	0.1
269.04532	0.3
269.08099	1.2
269.22458	0.1
272.06760	1.3
287.05511	100.0
287.09018	14.4
287.23431	0.7
288.05832	3.4
288.09344	0.3
295.27255	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	287.0909
Annotation	Eryvarin L
Peak:m/z	Relative Intensity
53.03943	1.4
54.68447	0.5
55.01853	0.8
67.05482	0.8
67.64571	0.6
70.86467	1.1
70.86802	1.3
79.05482	1.4
80.10513	0.6
81.51807	0.6
95.04969	3.3
107.04947	100.0
108.05283	1.1
108.26806	0.6
123.04425	14.6
138.03114	9.2
140.42613	0.6
147.04361	0.6
153.05455	62.2
154.05817	1.1
157.06465	0.7
173.05952	2.7
181.06458	1.2
184.05249	1.1
197.05925	1.7
198.06477	0.6
199.07539	2.1
201.05385	3.0
209.77458	0.6
212.04663	3.5
213.05426	0.7
225.05452	1.3
226.05983	1.4
226.34628	0.6
227.06995	4.3
229.04878	4.0
241.04811	0.9
243.06636	1.6
244.07018	2.6
255.06541	4.3
256.07251	2.0
257.04422	12.6
259.09644	31.5
260.09979	1.2
272.06732	17.3
287.09097	91.1
288.09412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Cyanidin
Peak:m/z	Relative Intensity
55.01867	0.2
55.05498	0.3
65.03928	0.2
65.85069	0.1
66.66349	0.1
67.01841	0.2
67.05476	0.5
67.96562	0.2
68.99786	1.8
69.03399	0.3
69.07050	0.6
69.15058	0.1
70.62798	0.1
70.83505	0.4
71.04980	0.2
78.77963	0.1
79.05496	0.9
81.03400	0.2
81.07043	1.1
83.04965	0.1
85.02912	0.1
91.05457	0.5
93.07021	0.7
93.82867	0.2
95.04959	0.6
95.08607	0.9
97.02898	0.2
103.05421	0.3
105.03386	0.8
105.07005	0.6
107.04951	1.3
107.08582	0.5
109.02858	0.6
109.06531	0.2
109.10135	0.6
110.65222	0.2
111.00797	1.3
111.04424	0.5
111.11738	0.2
115.05437	0.3
116.98586	0.2
117.07022	0.2
119.04926	0.3
119.08569	0.5
121.01981	0.3
121.02861	5.1
121.06484	0.3
121.10147	0.6
123.04438	0.3
123.11707	0.3
127.03932	0.1
129.07007	0.4
131.08571	0.4
131.69627	0.1
133.02834	0.8
133.10068	0.5
135.04362	0.2
135.07957	0.2
135.11644	0.3
137.02312	1.8
137.05956	0.5
137.09592	0.2
141.06976	0.3
143.08513	0.2
145.06482	0.4
145.10086	0.4
147.04414	1.2
147.11703	0.3
149.02361	0.2
149.13278	0.2
153.01825	8.5
157.06474	1.1
157.10078	0.2
159.11714	0.2
161.05975	0.5
161.13159	0.2
163.03847	0.2
165.01837	3.2
171.03044	0.2
171.04405	0.8
173.13269	0.3
175.03949	0.3
175.07582	0.2
175.14850	0.2
176.88623	0.2
183.02939	1.3
184.04967	0.2
185.05960	1.0
189.05481	0.4
189.16493	0.2
197.05905	0.2
198.69498	0.2
199.03873	0.3
203.03395	0.2
203.07001	0.3
213.05464	2.7
213.16405	0.3
217.04933	0.2
229.04880	0.3
231.06480	1.5
241.04924	1.5
241.19595	0.2
258.05249	2.1
259.06024	0.8
259.09738	0.4
269.04318	0.2
269.22629	0.4
287.05487	100.0
287.23495	1.2
288.05826	2.3
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	Fisetin
Peak:m/z	Relative Intensity
50.75005	0.0
53.00679	0.1
53.03929	0.1
55.01856	0.1
65.03931	0.3
66.41767	0.1
67.01849	0.2
68.99787	1.9
69.03412	0.2
70.74072	0.2
71.01338	0.1
71.29906	0.0
71.47404	0.1
73.83250	0.1
78.09732	0.0
79.01830	0.1
79.05491	0.5
80.05833	0.1
81.03407	0.2
91.05472	0.1
94.04167	0.1
95.01319	0.1
95.04926	0.3
97.02888	0.1
103.05469	0.2
105.03381	0.7
105.06995	0.1
107.04944	1.0
109.02874	0.7
111.00796	1.7
111.04464	0.5
113.27556	0.1
115.05462	0.2
117.07000	0.1
119.04958	0.1
121.02863	6.2
121.03893	0.2
121.06461	0.1
122.03165	0.1
125.02366	0.1
126.57180	0.1
127.03894	0.2
128.06212	0.1
129.07042	0.3
131.04868	0.1
132.58633	0.1
133.02834	0.8
133.06514	0.1
135.04430	0.4
135.08052	0.1
137.02335	2.2
139.05490	0.1
141.06969	0.3
143.04985	0.1
145.02802	0.1
145.06477	0.6
147.04402	1.4
149.02287	0.1
151.03871	0.2
153.01820	10.2
154.02206	0.1
157.06479	1.3
161.05945	0.4
163.03830	0.1
165.01826	3.5
166.02376	0.1
169.06519	0.1
171.02989	0.1
171.04385	0.6
173.05923	0.1
175.03850	0.2
175.07587	0.1
179.03285	0.1
181.01517	0.1
183.02887	1.6
184.05121	0.1
184.56927	0.1
185.05971	1.2
189.05453	0.3
194.02074	0.1
195.04428	0.1
197.06010	0.3
199.03966	0.1
201.05458	0.1
202.06358	0.1
203.03407	0.2
203.07018	0.3
212.04628	0.1
213.05463	3.1
214.05873	0.1
216.04283	0.1
217.04959	0.1
229.04922	0.4
230.05638	0.1
231.06494	1.4
241.04941	1.6
242.05708	0.1
243.06577	0.2
245.04466	0.1
257.04407	0.1
258.05234	2.2
259.06015	0.9
269.04300	0.4
286.04758	0.1
287.05481	100.0
288.05804	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
53.60360	0.1
55.01863	0.2
55.05510	0.1
56.64810	0.1
57.03420	0.1
65.03941	0.2
67.01847	0.3
67.05492	0.2
68.99780	1.6
69.03410	0.2
69.07040	0.3
69.69263	0.3
69.69683	0.3
71.01344	0.1
74.01086	0.1
77.71410	0.1
79.05475	0.6
81.03403	0.2
81.07030	0.4
84.09091	0.1
91.05450	0.2
93.07056	0.2
94.04181	0.1
95.01323	0.1
95.04963	0.4
95.08605	0.2
97.02852	0.1
97.06531	0.2
97.70753	0.1
98.20821	0.1
103.05463	0.3
105.03385	0.7
105.07005	0.3
107.04940	1.0
107.08611	0.1
109.02873	0.8
109.06522	0.2
109.10169	0.2
111.00796	1.2
111.04452	0.4
115.05433	0.2
117.06989	0.2
119.04916	0.2
119.08555	0.2
121.02853	5.4
121.06484	0.4
121.10125	0.2
123.04385	0.2
123.11721	0.2
127.03876	0.3
129.06975	0.3
131.04897	0.2
131.08585	0.2
133.02850	0.8
133.06448	0.2
133.10109	0.2
134.03665	0.1
135.04391	0.4
135.08003	0.3
137.02325	1.9
137.05951	0.3
141.06955	0.3
145.06458	0.5
145.10088	0.1
147.04381	1.4
147.11655	0.2
149.05974	0.3
151.03865	0.2
151.07510	0.3
152.06213	0.2
153.01811	8.9
157.06491	1.0
159.11678	0.1
161.05962	0.4
162.05434	0.2
163.03951	0.1
163.07532	0.4
165.01819	3.0
165.07025	0.1
166.07829	0.1
167.08472	0.6
169.06454	0.2
171.02945	0.2
171.04398	0.6
173.05901	0.1
173.13268	0.1
175.03882	0.2
175.74516	0.1
179.03329	0.1
183.02878	1.6
185.05939	1.2
189.05414	0.2
195.08052	0.9
195.13914	0.1
197.05965	0.4
199.03900	0.2
201.05498	0.2
203.03404	0.2
203.07004	0.2
209.09666	0.2
212.08342	0.2
213.05443	3.0
216.04201	0.1
217.04962	0.2
223.07452	0.2
225.49568	0.1
227.10640	1.1
229.04895	0.4
231.06502	1.2
241.04915	1.4
243.06660	0.2
245.04440	0.2
255.10188	0.8
258.05228	2.1
259.05984	0.9
269.04391	0.3
269.22534	0.2
287.05463	100.0
287.23422	0.6
288.05804	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01851	0.1
57.42092	0.1
57.54454	0.1
57.54725	0.1
57.67962	0.1
65.03932	0.2
66.01070	0.1
66.67520	0.1
67.01862	0.3
68.99426	0.1
68.99786	1.6
69.03423	0.1
69.58665	0.6
70.00159	0.1
70.41239	0.1
71.01350	0.1
79.05495	0.4
81.03419	0.2
81.07060	0.1
85.02897	0.1
91.05473	0.2
93.07047	0.1
95.04963	0.3
97.02907	0.1
97.06512	0.1
98.21442	0.1
103.05446	0.1
105.03405	0.7
105.07040	0.2
107.04954	0.9
109.02879	0.5
111.00792	1.3
111.04420	0.4
111.81194	0.1
115.05515	0.1
117.07012	0.1
119.04932	0.2
121.02860	4.7
121.03824	0.2
121.06485	0.1
127.03917	0.2
128.06175	0.1
129.06984	0.3
131.04898	0.1
133.02858	0.7
133.06454	0.1
135.04419	0.7
135.08029	0.2
137.02335	1.8
137.05998	0.2
141.06955	0.2
143.04932	0.1
145.06467	0.4
147.04390	0.9
149.05997	0.1
151.03839	0.1
151.07532	0.1
153.01819	8.6
154.02190	0.1
157.06473	0.9
161.02327	0.2
161.05957	0.3
163.03896	0.1
163.07553	0.2
165.01836	2.6
166.02603	0.1
167.08496	0.3
168.05670	0.1
169.06503	0.2
171.02888	0.2
171.04399	0.6
173.06084	0.1
175.03857	0.1
175.07646	0.1
179.03461	0.1
183.02878	1.3
183.04491	0.1
184.31332	0.1
185.05945	1.0
187.07756	0.1
189.05457	0.2
194.02147	0.1
195.04312	0.1
195.08047	0.3
197.05992	0.3
199.03902	0.2
201.05473	0.1
203.03374	0.3
203.06979	0.3
213.03433	0.1
213.05469	2.5
216.04247	0.1
217.04948	0.2
223.03894	0.1
223.07509	0.1
227.10602	0.5
229.04898	0.3
231.06516	1.1
241.04929	1.4
242.05791	0.1
243.06439	0.1
244.75998	0.1
245.04408	0.1
255.10283	0.3
257.04474	0.1
258.05234	1.7
259.05997	0.6
269.04324	0.3
271.69873	0.1
286.04529	0.1
287.05478	100.0
288.05814	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.01580	0.1
51.98825	0.1
52.72730	0.1
53.03941	0.1
55.01859	0.2
55.05491	0.3
65.03933	0.7
67.01861	0.1
67.05479	0.5
68.99442	0.2
68.99790	2.1
69.03409	0.2
69.07047	0.5
69.33434	1.5
70.56201	0.1
75.82359	0.1
79.05479	0.8
81.03391	0.4
81.07054	0.7
85.02895	0.2
89.03896	0.3
91.05471	0.3
93.07024	0.4
95.04952	1.1
95.08578	0.5
97.72502	0.1
98.20697	0.2
103.05503	0.2
105.03361	0.7
105.07006	0.6
107.04949	1.1
107.08582	0.4
108.02081	1.0
109.02855	0.5
109.06489	0.1
109.10135	0.3
110.06027	0.2
111.00805	1.1
111.04432	0.9
115.05437	0.3
117.03389	0.3
117.06994	0.2
119.06525	0.1
119.08530	0.4
120.04431	0.4
121.02860	5.7
121.03918	0.4
121.06459	0.2
121.10120	0.2
123.04420	0.5
123.11671	0.3
124.07565	0.4
125.08347	0.3
125.09602	0.1
126.09130	0.5
127.03922	0.2
129.06973	0.3
133.02811	0.8
133.10088	0.4
135.04431	1.0
135.11664	0.3
137.02325	1.9
137.06013	0.2
141.06978	0.2
143.08620	0.2
145.02802	0.4
145.06458	0.5
145.10129	0.3
147.04398	1.3
147.11636	0.2
149.06007	0.2
151.03889	34.3
152.04210	0.3
153.01816	9.1
154.02541	0.4
157.06508	1.2
157.10126	0.2
159.11647	0.2
161.02327	0.2
161.06000	0.4
161.13220	0.2
162.05498	3.1
163.03871	1.7
165.01826	3.1
169.06543	0.3
171.03076	0.2
171.04390	0.9
173.13275	0.2
175.03935	0.3
175.07492	0.2
175.14780	0.2
177.05487	0.3
183.02876	1.4
185.05917	0.9
189.05467	0.4
193.04640	0.1
195.08095	0.2
199.03865	0.2
199.14816	0.1
201.05502	0.2
203.03474	0.3
203.07037	0.3
205.06410	0.1
213.05470	2.8
216.04129	0.2
217.04988	0.2
223.07547	0.1
226.06293	0.1
229.04964	0.5
231.06487	1.3
241.04916	1.3
243.06348	0.2
245.04375	0.2
245.12965	0.1
257.04498	0.4
258.05234	2.4
259.06030	0.6
269.04504	0.5
269.08118	1.3
269.22546	0.2
272.06790	1.5
273.64658	0.1
287.05515	100.0
287.09033	13.9
287.23505	0.8
288.05820	3.5
288.09198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06421	0.1
53.03945	0.1
55.01858	0.1
65.03927	0.3
67.01858	0.2
68.99429	0.1
68.99785	1.6
69.03416	0.2
69.38489	0.2
69.38895	0.7
70.93222	0.1
71.01350	0.1
71.91890	0.1
73.99470	0.1
79.05497	0.4
81.03404	0.3
91.05452	0.2
93.03366	0.1
93.07061	0.1
95.04954	0.3
103.05539	0.1
105.03388	0.7
105.07012	0.1
107.04951	1.1
109.02872	0.4
111.00806	1.3
111.04429	0.3
115.05425	0.2
119.04900	0.1
121.02860	5.3
125.03386	0.1
127.03875	0.3
129.07013	0.4
133.02835	0.7
135.04411	0.3
136.07555	0.1
137.01334	0.1
137.02333	1.7
141.06950	0.2
145.06517	0.6
147.04385	1.1
153.01823	8.7
154.02161	0.2
157.06482	1.1
161.05910	0.4
164.06972	0.1
165.01830	3.0
166.02562	0.1
169.06485	0.1
171.04398	0.7
175.03943	0.2
175.07611	0.1
179.03433	0.1
183.02895	1.4
185.05940	0.9
189.05473	0.2
197.05948	0.3
199.03889	0.2
201.05505	0.2
203.03305	0.1
203.07056	0.3
213.05452	2.7
216.04176	0.1
217.05008	0.1
229.05013	0.3
231.06516	1.0
241.04941	1.5
242.05495	0.1
245.04498	0.2
258.05237	1.9
259.05948	0.8
269.04440	0.4
286.04547	0.1
287.05478	100.0
288.05817	3.5
296.89087	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.54479	0.1
53.03930	0.2
53.19467	0.1
62.72269	0.1
65.03931	0.2
67.01866	0.3
68.99782	1.9
69.03430	0.1
69.47587	1.0
79.05479	0.4
87.50185	0.1
95.04956	0.4
98.21497	0.2
105.03362	0.8
107.04933	0.9
107.84216	0.1
109.02894	0.6
111.00788	1.3
111.04422	0.4
115.05413	0.2
121.02859	5.8
121.06469	0.2
127.03873	0.2
129.06995	0.3
129.11145	0.1
133.02853	0.7
135.04434	0.2
137.02356	1.8
141.06964	0.3
145.06511	0.3
147.04407	1.2
153.01820	9.4
154.02097	0.2
157.06465	1.1
161.05962	0.3
165.00510	0.2
165.01830	3.0
169.06482	0.2
171.04398	0.6
175.03838	0.2
183.02928	1.4
185.05974	1.3
189.05411	0.2
194.02023	0.1
197.05925	0.2
199.03860	0.2
201.05392	0.2
202.41725	0.1
203.07037	0.4
213.05447	2.7
216.04178	0.2
229.04984	0.4
231.06494	1.1
241.04939	1.9
243.06439	0.2
254.10254	0.1
258.05203	2.4
259.05936	0.9
260.06265	0.2
263.05814	0.2
269.04514	0.3
287.05478	100.0
288.05814	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01853	4.9
55.05510	25.4
57.03432	45.7
57.07072	4.0
57.51759	2.8
65.03924	3.5
67.05504	42.6
69.03411	4.4
69.07058	17.8
69.97160	18.6
71.04982	14.2
79.05488	35.8
81.03415	55.3
81.07056	79.8
81.08503	2.9
83.04962	17.6
83.08609	29.6
85.02900	58.1
85.06527	8.1
91.05471	43.6
93.07053	25.8
95.04976	26.1
95.08597	25.6
97.06499	7.1
97.10158	3.7
105.07033	43.6
107.04926	7.2
107.08588	18.0
109.06502	8.6
109.10157	5.4
111.08073	15.4
113.05993	5.4
115.05440	4.7
119.08576	37.7
121.10155	18.0
123.08045	3.0
123.11686	19.0
129.06996	13.8
131.08575	8.6
133.10112	11.5
138.05481	3.2
147.11681	52.6
149.09564	4.6
157.10095	13.8
165.12764	26.3
167.44333	3.4
175.11197	17.4
187.07530	5.5
193.12222	65.6
211.13281	51.6
229.14366	7.2
267.15729	6.0
268.10916	5.8
268.61307	3.4
269.11575	4.3
276.62250	5.9
281.93359	3.1
285.04315	6.3
285.07550	25.0
285.10818	6.6
285.16925	100.0
285.21753	5.7
285.33307	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05261	1.1
55.05504	16.0
57.03433	21.7
57.07063	1.2
61.02128	0.9
67.05501	33.3
69.03408	2.7
69.06718	1.4
69.07062	20.5
69.48377	2.3
69.48779	8.3
71.04987	6.8
71.41359	1.0
76.10558	1.0
79.05486	17.9
81.03393	1.3
81.07050	100.0
83.04975	8.0
83.08615	10.1
83.27873	1.0
85.02875	1.9
85.06545	7.5
85.07614	1.0
87.04451	1.1
91.05477	23.5
93.07040	14.8
95.04942	4.8
95.08595	20.9
97.06522	7.6
97.10114	1.3
99.08056	3.7
99.30029	1.0
105.07018	39.5
107.04934	3.0
107.08595	12.2
109.06525	5.2
109.10118	3.7
111.08054	1.6
111.70434	0.9
117.07012	1.5
119.08572	27.4
121.10138	20.6
121.81597	1.0
123.04407	2.6
123.08044	4.1
123.11699	32.7
127.07533	3.0
129.06941	3.8
131.08548	2.0
133.10092	4.2
135.04356	1.1
135.11601	1.4
137.02315	1.5
137.13200	3.2
141.09081	1.3
142.96910	1.0
145.10071	2.9
147.04355	3.2
147.11676	81.1
151.03809	1.2
151.07379	1.2
157.10066	3.3
159.11693	1.3
161.05930	4.2
161.13196	1.3
163.03864	1.3
165.07024	5.4
165.12741	46.1
166.13014	1.6
171.11617	1.2
175.11166	6.1
182.07251	1.7
183.13747	5.6
193.06395	5.8
193.12216	4.2
209.09396	0.9
210.06786	5.9
211.07536	1.1
211.13193	1.5
213.05559	1.8
213.42026	1.0
221.05917	5.7
225.09099	12.7
229.04733	1.4
229.08679	1.3
229.14288	9.6
238.06094	1.5
242.05708	26.9
243.06293	1.9
253.05061	1.2
253.05637	1.4
253.08536	15.7
254.09335	1.5
255.06520	1.3
257.04462	1.7
257.07944	1.0
267.10229	1.7
267.15948	6.1
268.10956	2.1
269.04422	7.9
270.05200	37.5
271.05527	2.5
285.04099	3.0
285.07495	87.9
285.11069	18.3
285.16891	74.5
285.22018	4.5
286.07877	5.4
286.10745	1.3
286.17212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03943	1.3
53.93262	0.4
55.01866	1.7
55.05507	15.2
57.03434	21.9
57.07067	0.9
59.05003	1.0
60.88580	0.4
65.03948	0.9
66.59167	0.4
67.05501	32.8
69.03436	1.9
69.07066	19.5
69.07451	0.6
69.61060	3.0
69.61468	0.6
71.04990	5.8
71.20215	0.4
73.06536	0.8
79.05488	19.5
81.03437	0.7
81.07051	100.0
82.07391	0.8
83.04974	8.3
83.08613	10.5
83.13366	0.4
84.08646	0.4
85.06538	5.9
86.04441	0.3
91.05475	24.5
93.07041	13.4
95.04976	3.0
95.08602	20.6
95.09229	0.6
97.06522	7.4
97.10162	1.0
99.04445	0.6
99.08084	4.4
101.06001	1.7
105.07022	34.8
107.04967	0.8
107.08591	12.1
109.06525	5.4
109.10162	2.0
111.08054	1.2
113.06004	1.2
115.05418	0.4
115.07559	0.8
117.06968	0.6
119.08575	28.9
121.10136	21.0
123.08070	4.8
123.11700	31.3
125.09582	0.5
127.07577	3.7
129.07042	2.4
129.07857	0.5
129.09029	0.4
131.04869	0.5
131.08568	1.1
133.10107	2.5
135.11646	0.5
135.66335	0.4
137.13234	3.4
141.09091	1.7
142.07744	0.7
145.10144	1.2
147.11678	77.2
148.11996	0.8
149.09599	0.5
149.13295	0.5
155.08565	0.4
157.10115	2.6
165.12746	45.9
166.13045	0.8
175.11191	3.5
183.13792	5.2
188.04654	1.9
189.05353	0.4
193.06482	0.4
193.12239	3.2
211.13162	0.7
215.03410	0.7
221.05910	0.5
225.09122	1.1
229.14337	8.8
239.07089	0.5
244.03621	1.2
253.08655	2.0
257.08115	0.7
267.15891	4.8
270.05295	0.5
285.07541	4.7
285.16937	72.3
286.17300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01857	1.5
55.05511	7.3
56.94534	1.0
57.03431	1.8
57.07069	1.6
65.03922	1.5
67.05498	11.7
68.99783	1.7
69.03410	3.7
69.07071	8.1
69.89194	2.6
69.89597	6.4
71.04977	3.0
71.18105	1.1
73.06550	1.3
79.05474	9.4
81.03403	2.3
81.06638	2.1
81.07055	23.1
82.50617	1.1
82.85272	1.1
83.04974	5.7
83.08608	5.6
85.06526	3.6
91.05473	10.2
93.07042	20.0
95.04964	8.6
95.08598	13.7
97.02872	1.3
97.06541	9.7
98.97567	1.4
98.98476	1.4
99.04435	2.5
99.08103	1.8
103.05480	1.2
103.52739	1.1
105.07022	19.5
107.04953	28.8
107.08592	15.5
109.06532	10.8
109.10138	13.1
111.08073	4.1
115.05460	2.9
116.98600	1.8
117.07040	1.2
119.04945	1.6
119.08579	16.5
121.06503	6.9
121.10163	6.3
123.04427	13.6
123.08070	10.4
123.11675	6.6
125.05973	4.0
125.09603	1.7
127.07522	3.3
128.03419	1.3
129.06950	1.3
131.04916	1.6
131.08557	3.3
133.06522	1.4
133.10139	5.7
134.57938	1.2
135.04393	2.0
135.08052	6.0
135.11656	2.3
137.05975	2.9
137.09610	4.1
137.13303	2.0
139.07564	7.8
141.07010	2.1
141.09039	1.6
143.06950	1.5
143.08601	1.6
144.05742	1.6
145.10114	4.6
147.04419	3.3
147.07996	2.8
147.11682	42.9
149.13298	6.7
150.62801	1.2
151.03851	2.1
151.07454	1.3
155.04916	1.5
157.06451	2.1
157.08603	4.4
157.10167	4.7
161.05977	2.5
161.09647	1.8
161.13246	4.2
163.07513	2.7
163.14819	2.9
165.06970	2.2
165.12740	27.3
167.14316	2.4
168.05684	3.3
169.06512	3.5
171.04416	1.6
171.11641	3.2
173.13222	2.9
175.11215	14.3
184.05215	1.8
185.05965	4.4
186.06761	1.7
187.07550	3.6
189.12698	10.9
191.03400	2.9
191.08601	1.4
191.14275	4.3
193.06429	1.7
193.12241	31.8
196.05139	1.9
197.06004	7.2
199.11176	2.2
201.05467	2.3
207.13705	6.2
209.15375	4.5
210.06866	1.4
211.07512	1.5
211.13214	2.0
212.04475	1.5
213.05498	5.4
214.06252	5.7
215.06897	1.5
217.12233	15.1
221.05995	1.6
223.07610	1.2
224.04729	3.9
225.05487	4.4
225.09125	2.5
225.14859	4.9
227.03539	2.8
228.04114	1.6
229.04994	3.3
229.08603	3.1
229.14488	1.5
235.13306	23.2
239.06943	1.4
241.04980	2.8
242.05713	8.3
243.06447	4.5
249.14882	2.3
253.04918	4.9
253.08627	3.9
253.14294	3.0
257.04468	2.8
257.08218	1.5
267.15948	7.1
268.10965	3.8
268.61050	1.7
269.04465	7.8
270.05200	13.1
271.05890	7.3
276.62051	1.9
285.07590	100.0
285.10983	7.3
285.16608	7.8
285.22034	3.4
286.08298	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.02374	0.6
53.03939	1.1
55.01871	2.5
55.05508	15.1
57.03433	22.7
57.07061	1.4
59.04993	1.1
60.78149	0.8
65.02545	0.6
65.03947	1.2
67.05502	31.5
69.03429	1.9
69.07064	17.8
70.98584	1.9
71.04983	7.0
73.06541	1.0
79.05487	20.6
81.03411	2.0
81.07050	100.0
83.04972	7.3
83.08617	9.3
85.06540	7.5
87.04449	0.8
91.05471	23.1
93.07039	14.0
95.04957	3.8
95.08596	20.7
97.06525	7.3
97.10162	0.9
99.08086	4.1
101.06011	2.3
105.07023	35.8
107.04949	1.1
107.08581	12.3
109.06510	5.1
109.10145	2.6
111.08069	2.0
113.06017	1.3
115.07561	1.1
117.06998	0.8
119.08570	27.1
121.10130	20.0
123.04388	0.8
123.08047	4.4
123.11694	29.5
124.94602	0.8
127.07538	3.0
129.06981	2.3
131.08527	2.4
131.52045	0.6
133.06496	0.9
133.10159	3.9
135.11707	0.8
137.09633	1.0
137.12274	0.6
137.13251	3.0
141.09067	1.5
142.07770	1.1
145.10135	1.5
147.04366	1.3
147.11673	79.0
148.11935	1.4
149.09705	0.9
157.10068	3.5
161.05981	1.2
165.06995	1.4
165.12741	45.8
175.11156	4.4
179.08347	0.7
183.13779	5.4
193.06482	1.0
193.12263	4.6
197.05922	0.8
201.05367	0.8
210.06761	1.4
211.07437	1.2
211.13280	1.4
221.05962	1.7
225.09122	1.8
229.14310	10.8
230.21948	0.7
243.06458	0.7
253.08640	4.5
267.15836	5.3
269.04431	3.4
270.05014	3.7
271.06012	0.9
285.07520	17.4
285.11224	6.0
285.16931	69.8
286.08118	2.5
286.17236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
52.43524	0.9
53.03926	1.2
55.01857	1.3
55.05263	1.0
55.05511	15.6
57.03437	23.3
57.07056	1.1
57.23988	0.9
65.03928	0.9
67.05502	31.2
69.07067	17.4
69.56833	8.3
71.04995	6.5
71.09758	0.9
79.05487	19.2
81.03403	3.9
81.07056	100.0
83.04980	7.4
83.08620	11.8
85.02903	1.4
85.06551	6.6
85.26107	0.9
91.05479	22.5
93.07044	12.7
95.04958	4.0
95.08611	17.4
97.06528	7.1
97.10164	2.0
99.08089	6.0
101.06032	2.2
105.07024	32.3
107.08600	11.7
109.06505	5.5
109.10136	1.9
111.08100	1.6
113.06003	2.0
119.08581	30.9
121.10142	23.3
123.08080	4.8
123.11707	36.5
127.07533	4.3
129.07011	1.8
131.08575	1.8
133.10115	2.8
137.13226	3.6
141.09117	2.0
145.10092	1.6
147.11684	84.8
157.10152	4.2
165.12753	47.9
175.11183	4.0
183.13844	5.1
193.12199	5.6
197.60629	1.0
204.34235	0.9
211.13251	1.8
229.12256	1.5
229.14363	9.1
233.73746	0.9
252.78636	1.1
255.58170	1.2
267.15900	6.4
269.04410	1.5
285.04623	1.6
285.07639	7.8
285.16953	83.2
286.17334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01849	6.7
55.05503	19.0
57.03431	19.9
57.07050	4.0
64.15801	1.8
65.03923	2.5
67.05504	31.0
69.03409	6.9
69.07069	24.8
71.04999	10.3
71.41737	1.6
71.63021	3.0
73.02845	1.6
77.05921	2.0
79.05488	24.3
81.03411	18.1
81.07056	100.0
83.04982	11.0
83.08617	15.8
85.02889	3.9
85.06538	9.0
91.05479	30.2
92.15880	1.7
93.07050	20.9
95.04960	13.5
95.08598	24.8
97.02886	2.9
97.06509	8.5
99.04416	2.1
99.08070	6.7
101.06025	2.7
103.05455	2.4
105.07031	39.9
107.04932	7.2
107.08580	18.7
107.39462	1.8
109.06517	12.0
109.10147	8.4
111.08070	5.1
115.05390	1.8
117.07023	4.5
119.08574	33.8
119.51556	2.0
119.62762	1.8
121.10145	20.6
123.04415	3.2
123.08049	6.0
123.11707	32.7
123.72440	1.7
125.09690	2.5
127.07545	3.3
129.05429	2.0
129.06976	5.2
131.08525	6.3
133.06477	4.5
133.10121	7.1
134.99696	2.1
135.07985	3.6
135.11688	2.1
137.05959	4.1
137.09569	2.5
137.13255	2.8
141.09047	2.5
143.08496	2.9
145.06456	2.4
145.10086	4.2
146.03603	3.3
147.04355	2.2
147.07997	3.7
147.11681	72.6
151.07571	2.0
153.12776	2.1
157.06403	2.7
157.10123	7.2
159.11678	3.6
161.05945	13.4
163.03937	2.3
165.01862	2.2
165.07025	15.1
165.12735	38.7
167.08479	2.6
171.11656	2.2
173.13243	3.2
175.11174	4.8
177.12733	1.8
181.06476	3.9
182.07191	5.0
182.16063	1.8
183.02876	2.4
183.13771	2.9
189.12659	2.4
193.06482	13.3
193.12215	11.7
195.08090	2.1
199.07471	2.3
207.03345	1.8
210.06686	10.3
211.07306	2.4
211.13210	2.1
221.05934	18.9
222.06499	1.9
224.08304	2.9
225.09050	27.7
227.06851	3.0
229.04895	3.3
229.14346	10.4
234.06561	4.3
235.07655	2.3
238.06195	5.6
239.06805	3.3
242.09352	2.3
243.06935	2.4
253.05067	1.9
253.05655	2.4
253.08568	35.6
254.09186	2.7
257.04544	4.0
257.07797	2.8
258.05167	6.1
267.10150	5.5
267.15826	7.6
268.10898	5.3
269.04477	10.3
270.05075	7.7
270.08780	6.0
275.53522	2.1
277.12396	2.2
284.06210	2.5
285.04001	4.3
285.07437	44.6
285.11227	68.5
285.16922	72.6
285.21744	10.9
285.29974	2.2
286.04797	15.7
286.07797	4.3
286.11353	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03944	1.5
55.01862	1.9
55.05257	0.8
55.05510	14.3
57.03436	22.0
57.07078	0.6
59.04981	0.7
65.03927	1.2
67.05502	32.7
69.03407	1.1
69.07063	18.4
70.44814	1.1
71.04986	5.8
73.06555	0.6
79.05491	17.7
81.03445	0.6
81.07053	100.0
82.07375	0.7
83.04977	7.1
83.08613	10.6
85.02896	0.5
85.06544	6.7
87.04465	0.6
91.05476	24.9
93.07040	13.2
95.04951	3.1
95.08602	22.0
97.06525	9.1
97.10146	1.0
99.04440	0.6
99.08091	5.3
101.05994	1.9
105.07027	36.7
107.04932	1.1
107.08583	11.9
109.06511	6.2
109.10149	2.5
111.08093	1.5
113.06011	2.3
115.05442	0.8
117.07032	0.7
119.08578	31.4
121.06487	0.5
121.10137	20.9
123.08077	5.8
123.11701	32.0
127.07552	3.9
129.06987	1.9
131.08559	2.0
133.06473	0.6
133.10130	3.6
134.03604	0.5
137.02313	0.6
137.09592	0.9
137.13243	3.0
141.06934	0.5
141.09096	0.9
142.07800	0.8
145.10112	0.9
147.04414	0.8
147.11681	79.3
148.11989	0.4
149.09563	1.1
151.11166	0.8
157.10101	4.3
161.05984	0.9
165.07014	1.0
165.12746	44.2
175.11188	5.0
183.13806	6.0
193.06494	1.4
193.12190	3.8
197.06013	0.8
210.06776	1.0
211.07365	0.6
211.13225	0.7
213.05487	1.0
221.05914	1.7
225.05377	1.5
225.09029	2.8
229.14345	9.8
238.06020	0.7
238.94545	0.5
253.04901	0.9
253.08539	4.8
254.09128	0.6
267.15860	5.5
268.10754	0.7
269.04492	1.6
270.05246	2.5
285.07471	11.7
285.11145	4.6
285.16943	70.6
285.22018	1.8
286.08109	1.4
286.17178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.63931	1.0
55.01848	3.0
55.05506	18.5
57.03433	22.0
57.07055	1.1
67.05499	36.6
69.03382	3.0
69.07062	19.8
71.04983	6.5
73.02892	2.1
79.05485	20.5
81.03414	12.2
81.07050	100.0
83.04981	10.9
83.08611	12.7
85.02887	8.2
85.06530	6.4
90.07544	1.1
91.05474	31.2
93.07038	16.6
94.14656	1.0
95.04984	9.5
95.08598	22.2
97.06528	8.5
97.10134	1.3
98.21468	3.4
99.08028	4.2
101.05975	2.4
103.05369	1.2
105.07020	38.1
107.04885	3.7
107.08573	14.3
109.06530	7.1
109.10098	4.7
111.08023	4.1
112.44276	1.1
113.05943	1.6
115.07554	1.3
117.06979	1.9
119.04934	1.1
119.08561	29.7
121.06483	1.3
121.09329	1.3
121.10122	23.7
123.04375	1.8
123.08035	5.2
123.11694	27.4
125.96872	1.2
127.07457	2.7
129.06926	3.2
131.08519	7.0
133.06471	1.3
133.10123	8.6
135.11629	1.3
137.05980	6.7
137.09561	1.4
137.13155	2.7
141.06918	1.1
141.09062	2.1
141.31070	1.1
142.07672	2.3
143.08536	1.4
145.02773	1.5
145.10109	6.3
147.04326	1.6
147.11674	68.9
149.09546	1.8
155.08498	1.4
156.09250	1.4
157.06445	1.1
157.10094	8.6
159.11597	3.0
161.05850	3.9
161.13147	1.3
163.03899	1.5
163.11098	1.2
165.06882	4.3
165.12749	41.5
167.03355	2.8
169.06245	1.3
169.10052	2.5
171.11639	5.4
173.09540	1.6
173.13277	6.5
175.11156	7.6
179.06903	1.5
181.06291	1.1
182.07301	1.3
183.11569	1.8
183.13676	6.3
185.13138	2.3
186.13847	3.5
187.14662	2.9
188.15465	3.8
193.06384	3.9
193.12236	14.2
197.13127	1.6
199.14676	1.8
201.12663	1.5
210.06624	5.0
211.07677	1.3
211.11200	2.3
211.13164	7.6
221.05939	5.8
225.09192	9.8
225.12558	2.2
229.08434	3.0
229.12135	2.1
229.14192	6.4
238.06030	1.7
239.07030	1.3
239.17844	3.0
253.08597	15.2
254.08958	1.5
255.06441	1.5
257.04355	1.8
257.07959	1.2
267.06372	1.3
267.15509	6.4
269.04446	5.3
270.04889	3.7
270.08655	1.3
285.04050	3.3
285.07355	49.2
285.10956	18.7
285.16769	71.3
285.21912	4.7
286.07635	3.3
286.17322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
53.03929	3.4
55.01849	4.6
55.05505	17.4
56.96564	8.7
57.03184	2.2
57.03431	26.4
57.07058	1.7
64.22340	1.2
65.03950	1.5
65.12156	1.4
66.21092	1.1
67.01826	1.6
67.05499	27.9
68.99763	2.1
69.03419	8.8
69.07063	9.9
70.05697	5.1
70.06114	2.7
71.01339	1.4
71.04977	9.2
71.08595	1.4
73.02903	7.4
75.04461	1.4
79.05487	21.7
81.03413	100.0
81.07050	36.9
83.04983	14.0
83.08614	30.0
84.96045	1.9
85.02898	46.3
85.06522	2.3
87.04439	1.4
91.05470	30.6
93.07033	18.9
93.14523	1.4
95.04958	35.6
95.08598	15.1
97.02883	11.5
97.06509	7.2
97.10157	2.6
98.97559	5.0
101.06011	1.5
103.05424	1.6
105.06371	2.5
105.07020	28.7
107.04958	9.1
107.08569	9.1
109.06492	6.2
109.10133	4.5
110.97546	2.6
111.04418	2.2
111.08082	14.7
113.06004	2.6
115.05429	3.4
116.98595	3.7
117.06995	3.8
119.04958	2.7
119.08572	23.0
121.02825	3.2
121.06471	4.0
121.10133	15.0
123.08013	4.9
123.11682	5.3
127.03936	1.8
127.07598	1.7
128.98576	6.4
129.06990	12.2
131.04904	2.0
131.08562	12.9
133.06436	4.7
133.10138	10.9
134.99643	3.8
135.11642	3.7
137.02275	1.6
137.05969	2.2
137.09576	2.7
142.07747	3.1
142.95926	1.3
145.10074	3.4
146.99605	8.8
147.04404	2.9
147.08011	4.6
147.11676	26.3
149.05972	1.9
149.09586	6.4
151.07457	2.1
151.11108	1.9
153.01825	3.8
153.05458	2.5
155.04935	1.5
157.10118	16.4
161.01154	4.0
161.05922	4.4
162.99075	1.9
163.11191	1.3
165.06943	6.4
165.12695	9.5
166.00972	2.7
167.01895	2.2
170.99603	1.6
171.34413	1.4
175.01480	3.4
175.11172	22.9
177.00706	2.5
179.02176	1.9
182.07281	1.9
183.02853	1.7
187.07541	2.5
189.01207	3.1
193.06451	3.0
193.12230	86.1
201.00677	2.0
201.05447	2.3
210.06694	4.8
211.13260	50.2
213.05455	2.2
219.01674	2.2
221.05951	8.4
225.09085	9.7
229.04973	9.6
229.14268	9.5
237.02705	2.8
238.06070	2.3
239.07152	1.8
241.04822	1.6
244.03172	4.7
253.03613	32.3
253.08560	14.3
253.53723	4.7
254.09099	1.9
257.04434	13.5
258.04852	1.5
262.04175	25.5
262.54257	4.8
264.54407	10.4
265.04401	2.4
267.10065	2.8
267.15845	18.1
268.10901	3.7
269.04358	1.6
270.05307	2.5
270.08597	2.4
273.55032	1.4
274.80051	1.6
285.03867	29.7
285.07538	12.9
285.11191	25.1
285.16891	66.5
285.22018	4.7
286.04596	7.5
286.07639	1.9
287.05463	41.6
288.05804	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.82709	1.3
53.03933	3.3
55.01852	4.1
55.05508	19.9
56.65664	1.2
57.03435	38.3
57.07077	2.2
61.61247	1.5
64.85867	1.3
65.03923	1.8
65.41457	1.3
67.05170	2.2
67.05500	32.1
69.03410	6.1
69.07064	9.2
71.04990	10.1
73.02914	1.4
79.05048	2.5
79.05486	31.1
81.03415	86.6
81.06575	2.0
81.07052	39.1
83.04978	16.8
83.08613	31.4
84.72799	1.2
85.02901	63.5
85.06522	3.7
91.05475	37.6
93.07044	26.7
95.04967	35.5
95.08607	16.3
97.02863	4.7
97.06508	7.6
97.10139	2.4
99.08084	2.4
105.07023	33.7
107.04945	7.6
107.05540	1.4
107.08594	9.5
109.06532	6.8
109.10123	5.1
111.04423	2.8
111.08073	16.8
113.05991	5.1
115.05431	2.8
117.06957	2.0
119.08575	27.9
121.06512	4.2
121.10132	15.2
121.15243	1.2
123.08038	4.8
123.11679	4.3
125.09610	2.1
129.06995	13.2
131.08543	13.6
133.06453	3.6
133.10129	17.1
135.11705	1.9
137.05969	2.1
137.09601	4.0
142.07785	3.8
145.10127	2.0
146.03578	1.5
147.07996	3.7
147.11673	26.1
149.09564	8.0
157.10127	18.1
161.05920	3.5
165.06973	5.6
165.12756	5.3
175.11168	22.9
181.60210	1.5
182.07294	2.6
193.06516	3.7
193.12236	83.5
210.06732	1.7
211.07372	1.6
211.13280	54.3
221.05927	3.9
225.09082	7.1
229.14377	2.0
239.07053	1.9
253.04768	2.3
253.08635	11.9
267.15826	7.9
270.05276	2.6
276.62250	1.4
285.03989	3.9
285.07529	15.2
285.11264	11.8
285.16937	100.0
286.07874	1.6
286.17322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03928	1.5
55.05500	18.6
57.03180	1.7
57.03435	23.1
57.07052	2.5
59.01814	1.1
65.03903	2.0
67.05498	31.6
69.07069	21.1
71.04973	4.5
73.06538	1.5
79.05487	19.0
81.03414	3.1
81.07053	100.0
83.04993	7.2
83.05379	1.5
83.08611	10.6
85.02898	3.6
85.06525	6.0
91.05471	25.8
93.07054	11.9
95.04955	4.0
95.08055	1.8
95.08602	20.2
97.06525	7.8
99.08069	5.1
105.07024	39.0
107.08582	14.1
109.06487	5.9
109.10162	2.9
110.43230	1.3
110.88407	1.5
111.08014	2.1
119.07792	2.0
119.08578	31.5
121.09303	2.2
121.10136	25.9
123.08028	4.3
123.11698	31.6
127.07539	4.4
129.06966	3.2
131.08481	2.7
133.10101	4.1
137.13165	2.1
141.09061	1.6
145.10098	1.7
147.11679	84.7
157.10100	4.9
165.12740	49.6
174.65079	1.8
175.11186	4.4
183.13776	5.8
193.12224	6.8
211.13310	2.7
229.14320	9.9
267.15869	6.2
268.10886	3.1
270.05295	1.5
277.18069	1.3
285.07587	4.1
285.16937	83.8
286.17313	2.2
293.76157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01853	2.3
55.05508	14.7
55.20118	1.3
57.03434	21.8
58.13543	1.5
66.82413	1.4
67.05164	2.2
67.05501	32.3
69.03403	2.0
69.07061	17.6
70.74332	5.4
71.05006	7.5
79.05484	15.1
81.07053	100.0
83.04990	7.1
83.08614	14.0
85.06542	6.9
91.05477	25.9
93.07028	13.1
95.04976	3.3
95.08603	19.5
95.09171	2.4
97.06530	6.5
99.08066	3.9
101.06000	2.3
105.07024	35.4
107.08594	12.6
109.06501	4.1
109.10149	2.5
111.08096	1.9
113.05993	1.6
119.08573	27.8
121.10146	20.0
123.08054	4.4
123.11699	32.8
127.07558	3.5
129.06995	2.7
131.08575	1.7
133.10088	2.2
137.13280	2.7
141.09093	2.2
145.10098	1.9
146.22691	1.6
147.11681	73.3
157.10106	3.1
165.12740	45.1
171.65308	1.7
175.11227	2.4
183.13818	6.0
193.12234	3.2
197.61543	1.4
229.14284	9.5
250.00568	1.4
267.16016	4.9
285.07709	3.0
285.16962	71.3
286.17255	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01883	2.7
55.05508	15.9
56.31517	2.1
57.03432	21.9
67.05499	34.0
69.07063	21.8
71.04979	7.6
79.05492	20.7
81.07050	100.0
83.04967	8.3
83.08608	10.1
84.98634	2.0
85.06519	7.0
87.16488	2.2
90.03637	2.3
91.05476	26.0
93.07032	13.6
95.04949	4.5
95.08596	21.2
97.06533	5.8
99.08082	5.0
101.06060	2.2
104.51722	2.0
105.07021	36.7
105.99148	2.3
107.08598	11.7
109.06505	5.4
111.08073	3.0
119.08570	29.9
121.10139	23.3
123.08038	5.9
123.11700	32.7
127.07567	3.5
134.28212	2.3
137.13300	3.7
147.11681	70.8
157.10135	4.5
165.12761	39.0
175.11111	3.4
183.13840	8.2
193.12267	3.4
229.14417	4.6
267.15836	4.9
285.07721	16.6
285.16946	63.3
285.21860	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.50078	2.0
53.03929	3.2
53.91729	2.1
55.01853	3.0
55.05508	21.5
57.03190	2.9
57.03436	44.7
57.07063	5.8
59.04994	2.6
59.46738	2.8
67.05499	36.3
68.91443	2.3
69.03413	5.4
69.07069	12.3
71.02905	3.4
71.03249	5.3
71.04968	10.3
73.88437	2.3
79.05500	28.4
81.03419	68.7
81.06652	4.0
81.07054	44.5
83.04966	18.7
83.08616	30.8
85.02901	77.7
85.06522	5.0
91.04981	2.5
91.05482	36.9
91.14542	2.7
93.07037	18.3
95.04961	39.7
95.08606	17.9
97.02857	4.0
97.06503	8.7
97.10077	2.8
99.08073	3.2
102.04714	2.4
105.07024	26.6
105.95437	2.6
107.04935	7.5
107.08569	11.7
109.06509	6.3
109.10133	6.6
111.08056	19.4
113.05978	6.1
115.05461	3.3
119.08570	28.3
121.06448	3.3
121.10128	14.0
123.08026	4.0
123.11678	4.2
126.43931	2.6
126.94897	2.7
129.07005	13.1
131.04950	2.8
131.08559	14.6
133.10132	13.7
135.04388	6.1
142.07767	4.2
145.10065	3.6
147.04346	3.2
147.08015	5.9
147.11671	28.5
149.09583	8.8
157.10083	17.2
159.11740	2.5
165.12743	8.7
173.03596	4.1
175.11171	23.0
186.96547	2.6
193.12234	96.4
211.11304	4.8
211.13277	74.7
253.08458	2.6
267.15820	4.8
268.10880	8.5
268.61246	2.9
270.05154	4.4
276.62173	5.9
285.04233	4.7
285.07529	17.0
285.11450	12.0
285.16916	100.0
285.21790	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
53.69574	0.7
55.01853	3.8
55.05257	1.5
55.05506	20.5
57.03435	42.3
57.07053	1.6
59.04986	1.1
62.22903	0.8
65.03921	1.9
67.05502	36.1
68.99786	1.0
69.03429	4.9
69.07060	10.6
71.04987	9.8
71.58662	1.4
71.80344	1.0
73.02891	0.8
73.45702	0.9
79.05487	32.3
81.03412	83.9
81.06579	1.8
81.07050	42.6
83.04972	17.4
83.08613	27.4
85.02900	65.8
85.06552	4.4
87.04426	1.1
91.05476	42.1
93.06468	1.5
93.07038	22.5
95.04961	38.7
95.08595	20.0
97.02868	4.6
97.06512	6.2
97.10152	3.3
99.04439	1.6
99.08076	3.0
101.06043	1.1
105.07022	33.6
107.04951	8.0
107.08586	11.7
109.06509	8.8
109.10125	5.3
111.04415	3.4
111.08070	18.3
113.06012	5.9
115.05427	2.9
117.07005	4.0
119.04933	1.8
119.08570	31.5
121.02837	0.9
121.06468	3.5
121.10128	18.7
123.04424	2.1
123.08073	4.9
123.11681	4.1
125.05998	1.0
125.09594	2.4
127.07593	1.4
128.06248	1.2
129.07001	13.0
131.08559	15.3
133.06464	3.8
133.10120	16.7
135.08127	1.1
135.11665	1.6
137.02310	1.1
137.05922	2.8
137.09605	3.0
137.13193	1.2
139.00307	1.4
142.07770	2.5
145.06500	0.9
145.10114	3.6
146.03624	1.3
147.08029	3.8
147.11676	26.1
149.09578	8.6
151.11147	1.6
157.08908	1.6
157.10110	18.9
161.05960	5.8
161.07079	1.9
162.06734	1.0
163.03804	1.1
163.11217	2.1
165.06996	6.7
165.12762	7.0
167.08546	1.2
175.07539	1.0
175.11168	25.1
181.06462	1.7
182.07256	3.8
193.06490	4.8
193.12236	81.2
194.12488	1.7
197.06067	1.1
197.09618	1.7
210.06764	5.8
211.07590	1.2
211.13278	56.9
221.05913	6.9
225.05348	1.6
225.09102	14.4
225.11235	1.0
227.07053	2.3
238.06282	1.8
239.07063	1.1
242.09418	1.1
253.04831	2.1
253.08585	20.1
254.09154	1.6
255.06633	1.3
257.04413	2.1
257.11618	1.5
267.15875	10.2
267.20819	0.9
270.05170	3.3
270.08746	2.0
270.69116	0.8
285.03992	4.3
285.07550	15.1
285.11224	26.0
285.16922	100.0
285.22049	3.2
286.08307	1.5
286.11572	2.2
286.17178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.73708	1.6
53.03942	2.3
55.01870	3.7
55.05508	27.3
57.03437	51.9
57.07047	3.2
59.05005	2.1
65.03935	1.9
67.05168	3.0
67.05502	42.0
69.03419	6.9
69.07066	14.4
71.04982	12.1
79.05051	2.9
79.05489	36.6
81.03415	90.7
81.07056	53.8
81.98210	1.7
83.04983	19.1
83.08622	34.5
85.02901	86.8
85.06540	4.1
87.04443	2.2
91.04965	3.4
91.05484	49.8
93.07044	31.0
95.04968	42.0
95.08604	24.9
97.00613	1.9
97.02881	2.9
97.06497	6.5
97.10151	4.7
98.20712	4.3
105.06382	3.1
105.07030	35.4
107.04948	8.1
107.08589	15.3
109.06501	6.8
109.10129	8.8
109.49203	1.7
110.84062	1.9
111.04456	3.8
111.08059	20.6
113.05991	8.4
115.05424	3.3
117.07007	4.0
119.08573	29.8
121.06468	2.3
121.10136	15.4
123.08035	5.6
123.11697	6.8
124.27398	1.7
127.07590	2.4
129.06998	13.5
131.08566	15.9
133.06448	5.5
133.10127	17.0
137.09613	3.7
142.07791	3.6
143.04898	2.2
144.32883	1.8
145.10126	3.3
147.08002	4.7
147.11684	30.9
149.09596	7.4
151.03896	1.9
151.07561	1.9
157.10121	21.6
165.12801	8.8
169.06564	1.9
175.11194	29.4
187.07431	2.0
189.21823	1.8
193.12230	94.7
211.13287	80.3
211.14880	1.3
221.40692	2.0
267.15808	4.4
268.10876	4.0
285.04169	3.5
285.07587	10.1
285.16943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.3
55.70586	1.7
57.03435	17.6
57.07072	2.7
67.05173	2.3
67.05502	34.9
69.07063	20.5
70.77996	1.7
71.04967	7.8
79.05503	14.3
81.03381	1.7
81.07053	100.0
83.04950	7.2
83.08618	10.0
83.09040	1.7
85.06525	6.7
87.04454	2.4
91.05470	21.6
93.07045	13.8
95.04968	2.8
95.08601	20.0
96.49394	2.0
97.06538	8.4
98.35744	1.7
99.08061	3.6
105.07024	39.2
107.08608	12.6
109.06516	4.2
109.10149	2.0
111.08038	2.1
113.06001	1.9
119.08576	29.9
121.10138	21.7
123.08049	5.1
123.11702	34.0
127.07533	2.7
129.06966	2.6
131.08505	2.1
133.10126	3.2
137.13245	3.2
147.11679	84.7
157.10265	2.4
165.12747	45.1
175.11166	6.0
176.21771	1.8
183.13805	6.5
193.12190	3.2
201.76648	1.8
201.78532	1.6
229.14369	8.8
264.78033	1.7
267.15903	4.4
269.71851	1.7
270.05078	2.6
285.07574	14.1
285.16937	74.0
285.21872	4.0
285.29608	2.0
285.33044	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	3.4
55.05507	23.4
57.03186	3.6
57.03437	49.2
59.83778	2.1
63.00018	3.0
67.05502	33.9
69.03423	5.4
69.07070	13.1
71.04994	12.0
71.60996	3.6
72.90426	2.4
79.05487	31.1
79.87803	2.0
80.78243	2.2
81.03416	87.6
81.07052	54.2
83.04983	21.6
83.08614	37.3
85.02902	85.1
85.03416	3.1
85.06545	4.0
91.04960	3.3
91.05482	49.3
93.07047	24.8
95.04965	40.0
95.08612	17.2
97.02905	5.5
97.06515	5.3
97.10158	3.1
99.08079	2.8
105.07030	35.0
107.04950	9.8
107.08607	13.1
109.06495	8.3
109.10133	6.3
111.04436	2.9
111.08091	16.5
113.05984	7.7
117.06977	3.6
119.04919	2.2
119.08591	28.1
121.06452	2.7
121.10152	16.6
123.08036	3.1
123.11705	7.3
129.07021	13.4
131.08559	13.0
133.10149	13.3
133.82893	2.2
137.09616	2.9
142.07700	2.6
145.10011	2.8
147.04372	3.9
147.11684	29.5
149.09627	6.3
157.10143	22.9
162.06689	3.3
165.12744	9.3
175.11192	22.6
187.07436	4.1
193.12236	100.0
193.38347	2.3
196.08830	2.8
211.13293	85.8
229.14217	2.6
230.19189	2.3
253.08746	2.5
267.15866	3.2
268.10977	7.6
269.04504	4.2
270.05151	6.2
285.04605	4.1
285.07559	21.4
285.11191	6.2
285.16946	95.0
285.22092	5.6
285.25745	3.1
285.29721	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05509	14.6
57.03437	24.2
57.07073	2.8
57.46719	1.4
62.68502	1.8
64.91469	1.4
67.05503	32.5
69.07062	17.6
69.36794	1.5
70.21360	5.3
71.04974	7.0
78.27782	1.9
79.05489	18.4
81.07050	100.0
83.04958	7.2
83.08604	10.0
85.06519	7.1
91.05479	25.8
93.07030	12.3
95.04955	3.6
95.08047	2.1
95.08599	18.8
97.06511	7.1
97.10162	2.2
99.08076	3.7
105.06379	2.6
105.07025	36.2
107.08588	11.8
109.06500	5.6
109.10148	3.3
113.05991	2.6
119.08569	29.0
121.10136	18.5
123.08069	4.1
123.11708	28.7
127.07541	2.5
129.06927	1.8
133.10086	3.8
135.01109	1.7
137.13249	3.6
145.10068	2.4
147.11671	77.7
157.10139	3.4
165.12752	47.9
175.11145	3.9
176.91907	1.6
183.13826	5.4
193.12204	2.4
215.02504	1.7
229.14330	8.6
241.24921	1.7
256.35403	2.0
267.15958	4.4
285.07474	6.0
285.16928	79.8
285.21811	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.05508	26.9
57.03423	14.5
57.07080	6.1
61.02910	7.1
67.05504	92.2
68.05839	7.9
69.07064	29.8
70.13171	29.2
72.93794	14.2
79.05484	41.4
81.07056	100.0
83.08620	13.6
87.25183	5.1
88.02225	6.2
90.94805	9.5
91.05474	44.9
93.07047	43.2
95.04957	10.6
95.08603	75.8
97.02915	14.5
97.06527	8.8
98.20824	7.3
104.37896	5.3
105.07017	25.1
107.08582	18.1
109.10158	26.3
115.05477	5.6
119.08573	18.2
121.10145	26.6
123.11725	11.5
126.84322	4.9
131.08562	11.9
132.95848	8.5
133.10107	18.4
134.97374	8.4
135.11678	9.9
144.95905	5.3
145.10081	10.5
146.97371	16.3
147.04372	7.9
147.11673	21.2
150.96889	10.2
158.97437	11.8
159.11609	6.4
162.06747	13.3
162.96898	7.7
163.14816	6.8
163.98761	11.7
164.98451	50.1
165.12720	14.5
169.06339	6.4
174.96884	7.0
175.14821	15.6
176.98425	6.4
178.07712	6.5
179.08623	7.9
187.07515	12.1
188.00056	7.7
188.98376	5.8
192.09251	6.0
198.96863	5.4
205.99443	6.4
206.99518	17.1
216.97882	6.1
218.99518	7.3
230.99342	6.0
234.98933	9.4
242.99591	8.1
249.00505	7.9
253.08699	11.3
257.08286	5.0
260.60962	5.1
261.21997	6.1
268.10962	22.1
270.05084	12.5
276.62296	13.8
285.04089	6.9
285.07574	41.3
285.11234	63.1
285.16843	12.5
285.22058	18.8
285.29758	12.8
290.41125	5.5
309.02588	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	285.1119
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.01839	0.7
55.05503	0.8
67.05489	1.6
70.53593	1.9
74.85275	0.5
79.05497	1.3
81.07030	1.7
85.48920	0.6
91.05479	2.0
93.03360	0.7
97.79311	0.5
105.07036	0.8
115.05441	1.2
117.06966	0.9
119.08643	0.7
121.13318	0.5
128.06187	1.3
129.07008	0.7
132.67798	0.5
133.06543	0.7
136.21393	0.5
141.06995	2.2
142.07794	1.3
145.06499	0.9
147.11676	0.9
152.06152	4.5
153.06970	1.9
155.04869	1.1
155.08508	1.0
157.06456	2.5
165.06967	4.0
167.08607	0.6
169.06474	7.6
169.10149	0.6
170.07257	13.2
171.07629	0.6
173.05984	1.0
175.07275	0.5
178.07764	10.6
178.09218	1.0
180.05714	2.1
181.06487	1.7
182.07272	0.8
183.04443	1.0
183.08035	1.9
185.05898	1.0
187.07509	0.9
191.08534	1.2
192.09407	0.9
193.10126	4.4
196.08873	1.0
197.06030	3.3
198.06691	6.4
201.05428	1.2
202.07800	1.9
203.08508	2.0
205.06474	0.7
206.07224	2.8
210.06705	1.4
211.07558	1.0
211.11230	1.4
215.06952	0.8
216.07852	5.0
219.08051	0.9
221.09636	2.9
223.07483	1.2
224.08255	0.9
226.06148	2.1
229.04938	1.7
231.08073	0.7
234.06709	0.7
239.10609	4.5
244.07343	4.6
249.09106	1.0
252.07658	0.8
263.86667	0.6
268.11047	0.7
285.11182	100.0
285.29749	0.6
286.11508	6.1
307.38742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
55.05467	0.3
57.03421	0.3
67.05457	0.6
68.46683	0.2
69.07030	0.2
69.43177	2.1
79.05479	0.3
81.07050	1.5
85.02863	0.2
86.84031	0.2
89.03905	0.5
91.05462	0.2
93.07018	0.4
95.08562	0.5
102.06373	0.2
105.06985	0.6
107.04920	0.3
107.08548	0.6
108.02077	0.2
117.03339	0.2
119.08535	0.7
121.10070	0.4
123.04416	0.3
123.11712	0.2
133.02795	0.2
133.06407	0.2
133.10120	0.2
134.02638	0.3
134.03627	5.9
135.11641	0.7
137.02330	11.4
139.27650	0.2
141.06976	1.4
145.10123	0.3
147.11636	0.6
152.24811	0.2
153.06990	0.4
154.02525	0.4
155.04883	0.4
157.06451	0.2
160.05022	0.2
161.05937	0.4
163.03860	0.2
165.06993	0.3
165.12735	0.2
168.05693	0.4
169.06493	1.3
181.06476	0.6
183.04387	0.7
185.05914	0.6
186.06781	1.7
188.04614	1.1
193.06592	0.5
196.05171	0.4
197.05968	4.3
200.04662	0.2
210.06711	0.3
213.05455	8.0
214.06218	5.9
215.03406	0.5
215.06929	0.4
216.04195	0.5
221.06013	0.5
225.05455	12.6
225.08690	0.9
226.05823	0.3
229.08594	1.7
239.07022	0.4
241.04936	0.5
242.05710	1.8
244.03641	0.8
253.04948	17.9
253.08487	1.4
254.05328	0.5
257.08096	1.0
267.21030	0.4
269.04440	5.3
270.05212	28.5
271.05557	0.8
285.07562	100.0
285.21738	1.0
286.07919	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	285.0756
Annotation	Lespedezol A4
Peak:m/z	Relative Intensity
53.03941	0.5
55.01852	0.4
55.05482	0.2
57.03424	0.3
65.03931	0.3
67.05499	1.8
68.73172	0.3
68.99781	0.4
69.07057	0.7
69.65292	1.1
69.65710	1.0
73.74616	0.3
77.03903	0.4
79.05478	1.1
81.07051	2.1
91.05465	1.0
93.07022	0.6
95.04967	2.2
95.08578	0.4
97.06521	0.3
105.07021	1.1
107.04947	54.9
107.08572	0.5
108.05247	0.7
116.98560	0.3
119.04890	0.4
119.08562	1.1
121.10126	0.7
123.04421	41.2
123.11679	0.8
124.04748	0.5
124.21114	0.3
125.41185	0.3
129.06984	0.6
131.04863	0.4
131.08470	0.4
133.02811	0.4
133.10182	0.3
141.06976	0.6
145.10062	0.4
147.04396	0.6
147.11703	1.6
149.02310	0.6
149.13374	0.3
151.03883	1.8
153.07014	0.4
157.10078	0.5
158.07214	0.3
161.05962	0.8
163.03853	0.4
165.06976	1.1
165.12726	1.0
168.05731	0.4
169.06474	0.8
171.07942	0.4
175.03810	0.3
181.06429	1.1
182.07362	0.5
185.05949	0.5
186.06795	0.5
187.07613	0.4
193.06476	0.8
197.06003	3.3
198.06705	0.8
200.04636	0.3
201.05412	0.4
210.06708	0.8
211.07658	0.6
213.05440	1.0
213.09085	0.5
214.06148	1.3
221.05948	0.9
225.05469	2.7
225.09055	1.7
226.06329	2.1
228.03773	0.3
229.08578	31.6
230.08972	0.7
239.07068	0.4
241.08545	0.5
242.05722	8.5
243.06479	0.4
253.04956	2.4
253.08586	2.9
257.08075	11.0
267.06693	0.4
268.10941	0.5
269.04382	1.5
270.05206	9.1
271.05600	0.4
285.07562	100.0
285.22034	0.9
286.08008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0751
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
55.05507	0.1
57.03440	0.1
61.01924	0.1
67.05489	0.2
68.99778	0.1
69.03426	0.1
69.62331	0.5
71.04975	0.1
73.92035	0.1
79.05491	0.1
81.03406	0.3
81.07044	0.2
89.03941	0.4
91.05459	0.2
93.07047	0.1
95.04946	0.1
95.08602	0.1
97.06495	0.1
98.97536	0.1
105.03362	0.2
105.07000	0.1
106.04153	0.1
107.04929	0.2
107.08603	0.2
108.02102	0.2
109.06544	0.1
115.05473	0.3
116.98620	0.1
117.03410	0.2
119.08524	0.1
121.02843	0.2
121.06485	0.1
123.04428	0.1
129.07010	0.2
133.02783	0.1
134.03619	6.6
136.01575	0.1
137.02321	11.6
138.02670	0.1
141.06973	1.7
147.04355	0.2
149.05949	0.2
149.60580	0.1
152.06218	0.1
153.06932	0.1
154.02577	0.5
155.04892	0.3
155.06024	0.1
157.06467	0.3
157.10114	0.1
158.07254	0.6
161.02383	0.1
161.05951	0.2
165.06961	0.3
167.07007	0.1
168.05690	0.5
169.06451	1.5
171.04477	0.2
175.03838	0.1
181.04990	0.1
181.06442	0.5
182.07251	0.2
183.04372	0.6
185.05936	0.9
186.06744	1.9
187.03883	0.2
187.07387	0.2
193.06473	0.2
193.12253	0.1
196.05170	0.4
197.05960	4.9
198.06609	0.1
199.07515	0.1
200.04626	0.1
209.05988	0.2
210.06741	0.3
211.07526	0.2
213.05440	9.6
214.06215	6.1
215.06612	0.2
221.05969	0.3
224.04672	0.3
225.05441	13.2
225.09117	0.4
226.05829	0.4
227.06941	0.2
228.04144	0.2
229.08563	1.8
241.04919	0.6
242.05756	1.4
252.04254	0.2
253.04929	19.0
254.05261	0.5
257.08206	0.4
267.10117	0.1
268.10901	0.3
269.01459	0.2
269.04422	5.0
270.05194	27.7
271.05637	0.6
276.62143	0.1
285.07541	100.0
286.07889	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	38819-10-2
Peak:m/z	Relative Intensity
55.01851	0.4
55.05496	0.5
56.96558	3.0
57.03423	1.2
59.04993	0.6
59.50822	0.2
61.02911	0.8
67.05437	0.3
69.03426	1.5
69.83990	0.5
69.84406	1.1
70.06584	0.4
71.04976	0.3
73.02911	1.4
79.05477	0.4
81.03401	0.9
81.07035	0.5
82.74535	0.2
84.96005	0.4
85.02899	3.7
87.04444	1.0
92.69767	0.3
97.02879	1.3
97.06509	0.3
98.21469	0.5
98.97578	2.3
105.05507	0.5
105.06966	0.3
109.02872	0.4
109.05130	0.6
110.03513	1.9
110.05994	0.3
110.07133	0.7
116.98602	1.9
119.01862	0.3
123.70946	0.3
125.05909	0.3
127.03902	0.8
127.59184	0.3
128.04556	1.4
128.98587	0.6
131.01765	0.3
134.04549	0.3
134.99635	1.1
135.03038	2.4
136.06172	0.4
145.04938	1.1
146.99655	0.7
150.70726	0.3
152.05667	100.0
153.04074	9.0
153.05270	0.4
155.08145	0.6
158.99667	0.6
161.01155	0.5
173.01236	0.4
174.00771	0.3
175.02762	1.3
176.04033	0.4
176.26759	0.3
176.77167	0.3
177.00777	1.1
177.05975	0.4
193.03830	0.9
195.54112	0.3
196.54572	0.4
200.06396	0.3
201.00685	0.3
203.04030	0.4
212.02489	0.3
212.04439	0.3
219.01683	1.4
237.02818	1.1
279.04129	0.4
284.16129	0.3
284.29465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01870	2.6
55.05503	2.8
57.07072	0.9
57.68219	0.6
65.03944	2.3
67.05500	21.9
69.03430	2.4
69.07059	4.2
70.12280	4.0
71.04988	9.8
77.77013	0.7
79.05487	16.6
81.03432	0.7
81.07052	100.0
82.07355	0.8
83.04976	2.0
85.06534	4.1
91.05478	9.0
93.07036	15.2
95.04963	28.4
95.08595	3.0
97.06522	6.9
98.97583	0.9
99.04447	7.6
99.08086	40.7
105.07021	21.7
107.04964	1.7
107.08590	11.2
109.06511	56.8
109.10144	1.4
111.04445	1.3
111.08107	1.8
113.06024	3.4
115.05404	0.8
116.98646	0.8
117.07018	4.7
119.04969	1.3
119.08566	7.5
121.06496	6.5
121.10136	6.9
123.04418	4.0
123.08054	3.7
125.06001	1.8
125.09611	6.8
127.07553	11.6
128.06226	1.0
129.07001	1.3
130.07787	1.8
131.08553	13.4
131.09517	1.1
133.06487	5.0
133.10181	1.5
135.08084	2.0
135.11702	3.6
137.05972	18.3
138.06297	0.9
139.07500	1.1
141.05498	1.7
141.07007	0.7
141.09091	19.7
143.07054	2.0
143.08563	4.5
144.09326	1.9
145.06450	2.1
145.10118	36.5
147.08006	1.8
147.11726	2.6
149.09584	3.9
151.07559	2.3
153.05409	1.6
153.09143	1.1
154.07852	0.8
155.07068	3.1
155.08463	1.6
157.10144	0.8
159.08086	2.2
159.11678	12.4
161.09651	2.4
161.13303	1.8
163.07576	0.7
163.11165	12.8
165.09158	4.2
169.08620	3.0
169.10133	5.7
170.21381	0.7
171.08122	1.7
171.11865	0.9
172.08846	1.1
173.08162	1.2
173.09607	15.4
175.07483	0.7
177.12796	1.7
187.11176	36.4
188.11597	1.0
189.09090	1.3
189.12836	2.3
191.10664	25.9
195.13858	1.0
197.09705	1.9
205.12239	27.3
206.12630	1.0
209.09781	0.8
209.11737	15.0
209.13586	1.0
215.10660	32.3
216.11165	1.1
219.13768	9.8
223.13264	7.8
229.12050	0.7
233.11725	25.5
237.14804	1.4
242.11432	0.8
247.13239	10.1
251.12758	19.2
251.15144	1.1
257.27466	0.7
265.14359	11.3
283.06381	4.1
283.09286	1.3
283.15396	19.2
283.20288	1.0
284.15887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0598
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
55.01625	0.1
55.01870	1.8
56.96562	0.1
57.07059	0.2
58.11813	0.1
65.03938	0.4
67.01839	0.1
67.05480	0.1
68.74316	0.1
68.99776	0.8
69.03410	0.2
69.07066	0.3
69.90962	0.6
70.30074	0.1
71.70104	0.1
73.02846	0.1
76.69958	0.1
79.01830	0.4
79.05515	0.1
81.03403	0.5
81.07037	0.3
83.01340	0.2
83.08590	0.1
89.06020	0.1
91.05460	1.0
93.07047	0.2
95.08601	0.3
97.02891	0.4
99.00796	0.3
105.03359	0.1
105.07008	0.1
107.04931	0.4
109.02829	0.2
109.10130	0.2
111.00773	0.1
111.04429	0.2
117.06991	0.2
119.04935	1.8
121.02858	6.6
127.03919	0.2
128.06168	0.3
133.02798	0.2
135.04369	0.1
137.02332	2.5
140.18344	0.1
141.01819	5.3
143.08534	0.3
145.06474	0.5
152.06197	0.2
153.06976	0.5
155.03409	1.0
155.08492	0.1
157.06461	0.2
159.04419	0.2
161.02431	0.1
165.01825	7.3
165.07066	0.2
165.97528	0.1
166.02225	0.2
169.06485	0.2
171.08052	0.7
171.36896	0.1
173.06003	0.3
181.06473	0.9
183.02875	9.4
184.03191	0.1
184.05283	0.2
185.05949	0.1
197.05887	0.2
199.07530	0.4
201.05573	0.1
209.05959	0.4
227.06996	0.6
229.04959	0.8
237.05441	0.4
255.06479	2.5
265.05005	0.5
283.05984	100.0
284.06314	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01877	2.2
57.03437	5.3
61.02681	0.9
61.02926	9.1
61.93230	0.9
69.03423	17.8
71.04978	2.5
71.33709	2.1
73.02905	4.2
81.03419	6.4
83.01342	1.0
85.02901	100.0
85.06538	18.1
87.04436	2.3
91.03943	7.9
97.02885	21.4
99.04450	5.6
103.03977	1.2
109.02861	6.5
115.03934	1.2
127.03905	27.0
127.04795	2.0
145.04953	54.2
163.06009	18.7
184.43414	0.9
193.03264	1.1
229.10654	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
53.03936	5.6
55.01854	6.8
55.05510	29.7
56.96561	2.8
57.03431	15.7
57.07064	7.9
59.04998	6.2
65.01628	2.7
65.03920	4.7
66.93056	2.2
67.05504	46.0
69.03417	7.2
69.07064	23.8
71.03444	2.7
71.03782	4.4
71.04999	10.6
73.02888	2.0
73.06535	2.7
79.05489	51.5
81.03416	11.5
81.06577	2.8
81.07051	47.4
83.04973	26.1
83.08607	13.4
84.45209	2.5
85.02873	7.1
85.06535	3.4
91.05465	43.9
93.07041	47.5
95.04962	23.5
95.08599	35.5
97.06570	13.0
97.10164	3.7
98.97569	4.1
99.04426	6.9
99.08085	2.3
101.05982	5.6
105.07035	45.2
107.04919	7.9
107.08590	40.6
109.02859	3.5
109.06557	10.6
109.10155	10.6
111.04408	2.9
111.08018	4.1
113.05968	3.2
115.07557	4.0
116.98593	4.0
117.06981	6.8
119.04975	2.7
119.08582	76.5
119.09455	3.9
121.06479	7.0
121.10148	25.3
123.08031	12.6
123.11671	6.1
125.09578	2.9
126.28607	2.4
127.07538	3.5
129.06982	12.8
131.08536	6.6
133.06522	3.2
133.10124	70.4
135.08014	13.0
135.11662	9.2
137.05928	3.3
141.05472	4.7
142.07780	3.0
143.08527	12.1
145.10121	13.1
147.08037	10.4
147.11678	38.0
149.02271	3.3
149.09627	11.4
149.13240	4.5
151.02733	4.8
153.09093	6.9
157.10088	14.5
159.08047	3.2
159.11646	5.1
161.05989	3.0
161.08287	3.2
161.09610	59.7
161.13269	33.7
163.11127	10.8
165.09059	8.1
171.11694	17.9
173.13327	3.0
175.07593	3.6
175.11168	30.1
175.14772	12.2
177.12686	2.9
177.16263	2.2
179.06999	2.4
179.10686	10.7
181.12234	6.8
185.09679	3.1
185.13248	6.9
189.09073	5.1
189.12762	10.6
193.08554	6.7
193.12166	4.4
199.14764	5.6
203.10725	10.5
203.14380	12.7
207.10168	5.5
207.13820	8.5
217.15790	10.7
219.17416	24.0
221.11775	5.0
221.15321	14.0
227.14253	4.1
227.17796	2.3
235.16864	11.5
245.15340	30.2
263.13773	4.5
263.16397	47.1
272.14441	4.9
272.64694	3.1
281.04761	2.5
281.07986	4.0
281.14761	4.0
281.17462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.117
Annotation	Rataniaphenol III
Peak:m/z	Relative Intensity
55.01870	3.0
55.05492	5.8
56.96549	2.6
57.07072	3.4
65.03928	5.1
67.05492	11.6
68.99770	4.0
69.03423	3.7
69.07061	4.8
70.81076	2.4
70.81437	6.3
71.04982	2.3
79.05482	6.1
79.07827	2.0
81.03442	2.3
81.07038	7.3
83.04984	3.4
83.08607	2.1
91.05476	88.7
92.06255	4.1
93.03390	4.8
93.07063	3.8
94.04140	2.2
95.04962	6.3
95.08611	9.0
97.10145	2.2
102.04681	13.3
103.05458	5.3
105.03402	13.1
105.07028	17.6
107.04956	14.5
109.10153	4.9
115.05441	25.6
116.06232	4.3
116.98647	3.8
118.04128	2.3
119.04946	52.3
119.08569	2.6
120.04948	3.1
120.05728	26.2
121.02825	3.6
121.06470	2.4
121.10193	2.0
123.04431	2.2
127.26981	1.9
128.06218	2.3
129.06981	6.3
130.04166	9.3
131.04936	6.4
131.08566	5.9
133.06477	6.1
134.99585	2.4
135.04384	2.5
135.08081	3.7
135.11659	2.4
141.06992	7.9
143.08519	3.5
145.06485	3.6
147.04404	71.7
148.05182	49.8
149.02313	4.1
150.02660	4.2
151.02800	5.8
153.06972	3.6
155.08521	3.0
157.06519	2.9
161.05956	3.1
163.03856	2.5
163.07440	1.9
165.06995	7.8
166.07776	5.7
167.08565	4.3
168.05673	2.8
169.06462	10.2
170.07274	3.0
171.04387	8.4
171.08038	2.7
172.86391	2.0
175.07565	2.8
178.07776	2.9
180.40909	2.0
181.06425	4.8
182.07253	2.3
183.08073	13.5
184.08875	2.4
185.05988	4.8
187.59244	2.2
188.08354	2.9
190.44676	1.9
194.07246	6.8
195.08075	6.9
197.05977	24.4
198.06732	9.4
198.52530	1.8
199.03896	68.5
210.06804	2.7
211.07541	20.4
211.11067	2.4
212.08319	12.6
213.05443	15.4
213.08974	2.2
220.08673	3.0
221.06000	2.9
222.06776	3.4
223.07498	4.6
225.05574	3.1
234.92162	3.6
235.11119	6.4
235.17024	2.2
239.07066	24.4
240.07822	30.5
253.08583	3.1
253.12233	18.0
260.13464	2.0
281.11716	100.0
281.14877	4.8
281.18631	2.8
282.12167	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.02390	0.5
53.03935	0.9
55.01872	0.7
55.05253	0.7
55.05510	8.9
57.03435	1.2
57.07071	11.2
65.03934	3.5
67.05500	96.1
68.05820	0.9
69.03421	0.5
69.06712	0.7
69.07063	9.3
71.04985	1.2
71.08627	0.6
71.62956	0.6
71.63306	0.5
79.05486	11.0
81.07051	100.0
82.07388	1.0
83.04991	1.3
83.08615	6.2
85.06541	1.5
87.04456	0.4
91.05458	3.8
93.07038	13.6
95.04965	1.0
95.08599	83.2
96.08950	1.2
97.06529	1.7
97.10168	3.5
105.07010	3.6
107.08585	8.3
109.06506	1.0
109.10147	48.8
110.10503	0.9
111.08076	1.0
111.11720	0.9
113.06020	0.5
117.07014	1.3
119.08566	3.8
121.02870	3.6
121.06488	0.6
121.10135	8.7
123.08096	1.2
123.11700	26.1
124.12028	0.8
127.07555	0.9
131.08562	4.2
133.10101	3.2
135.08051	1.0
135.11685	5.6
137.09613	1.8
137.13252	9.5
137.14229	0.8
141.09090	0.5
145.10100	3.0
147.11681	3.3
149.02332	74.1
149.09610	1.7
149.13211	2.6
150.02603	2.4
151.11189	1.2
151.14824	2.9
152.95078	0.4
153.09082	0.7
159.11671	3.3
161.13281	2.5
163.11191	1.5
163.14804	2.1
165.12764	1.8
165.16393	0.7
167.03426	2.3
167.10670	1.2
169.12283	0.8
173.13258	3.8
175.14833	0.5
177.12822	2.0
177.16321	0.9
179.14337	1.2
181.12244	1.6
187.14790	3.2
190.04961	0.5
191.14305	1.4
195.13820	2.6
201.16449	0.8
205.08568	1.0
205.15927	1.2
209.15352	3.8
219.05803	0.5
219.21086	0.8
223.16956	3.7
237.18445	1.3
238.10020	0.4
243.21031	4.8
252.21638	0.4
261.22137	6.1
279.09268	0.8
279.19843	3.2
279.23163	56.8
280.23508	3.6
280.26251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.78182	1.1
53.03933	1.5
54.15575	1.1
55.05511	7.2
57.07058	3.1
57.14105	1.0
59.29282	1.1
65.03916	2.7
67.05499	99.7
69.07072	7.3
69.54998	3.5
69.55424	5.4
79.05479	10.7
81.03419	1.6
81.07051	100.0
83.08597	4.4
91.05460	3.0
93.07051	9.9
95.08600	72.5
97.06560	1.4
97.10140	2.8
105.07028	2.7
107.08571	6.1
109.10146	42.1
119.08536	2.3
121.10112	4.7
123.08017	1.7
123.11698	28.0
131.08507	3.0
133.10118	2.0
135.11652	4.3
137.09557	1.7
137.13249	11.5
139.58075	1.0
145.10074	2.6
147.11714	1.7
149.02338	29.0
149.09604	1.4
149.13188	2.4
151.11143	1.3
151.14774	2.4
159.11694	2.2
161.13223	2.3
165.12743	2.0
165.16370	1.1
167.10631	1.4
173.13303	3.0
177.16292	1.0
179.14282	1.3
181.12233	1.5
187.14792	1.3
191.14392	1.9
195.13795	2.1
209.15359	1.9
223.16873	4.1
237.18629	1.1
243.21019	2.1
247.06660	1.0
261.22025	3.2
279.15961	8.3
279.23151	47.5
280.23553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	26.3
57.03431	0.7
57.07067	1.0
59.72932	0.5
69.03429	1.4
71.58955	0.7
71.95265	1.0
73.02913	1.1
74.97622	1.2
81.03412	1.5
82.06570	0.7
84.08141	10.1
84.96027	6.5
85.02907	0.9
86.97583	0.5
96.04475	0.6
97.02892	1.0
97.96812	0.5
98.97581	100.0
100.99117	0.8
101.00867	3.9
102.97076	1.0
103.00632	0.5
109.02900	0.7
110.97573	3.3
112.99124	1.5
116.98621	77.8
117.98885	0.7
119.00192	0.6
119.01914	16.9
121.01651	3.1
122.02080	0.5
124.99107	2.3
128.07092	0.9
128.98598	6.8
130.08664	2.6
131.00151	4.0
131.01895	1.6
133.03430	0.6
134.99654	39.4
135.03168	1.1
136.33472	0.5
137.02965	3.6
139.02739	0.7
140.00160	3.0
140.98625	3.1
142.03522	0.7
142.18437	0.4
143.00168	16.7
143.01854	6.1
144.98123	1.0
145.01648	0.7
145.03481	1.7
146.99640	7.2
147.03235	0.6
149.01208	2.6
149.02341	9.7
150.99155	1.8
153.00696	5.8
153.04109	0.6
155.00165	0.6
156.00162	0.9
157.01756	0.9
158.01263	2.7
158.99652	31.0
159.03207	1.6
160.00107	0.8
160.01328	0.8
161.00020	0.5
161.01231	18.5
161.02957	22.0
162.99168	1.5
163.02747	1.7
165.00719	2.5
166.01637	0.6
167.02225	0.8
168.00244	0.6
168.50179	0.6
169.00345	0.6
170.99619	1.1
173.01245	1.4
173.02968	2.3
174.99126	1.0
177.00720	78.5
177.02312	2.9
177.04097	1.6
178.01123	0.9
179.02295	3.1
179.03949	1.2
180.10239	2.3
183.01743	0.7
184.02852	0.6
184.04500	0.8
185.03004	0.8
187.02655	0.7
189.00726	3.9
189.02448	1.3
191.02263	1.2
191.03976	2.4
191.05630	0.6
193.00241	2.5
195.01808	10.7
197.00659	0.8
198.02032	0.5
198.03949	0.7
200.02342	5.0
201.00734	1.0
201.04283	0.6
203.03906	1.3
205.00391	1.1
207.01724	3.1
214.03143	0.5
216.01329	0.6
217.00484	0.7
219.01738	16.7
219.05309	0.9
219.98042	0.7
221.01451	0.5
221.05159	0.7
228.02586	0.7
233.05060	2.1
237.02814	57.2
237.97984	0.7
238.00945	0.6
238.03278	1.1
239.06071	1.0
243.13333	1.4
247.01389	1.9
247.04034	0.8
255.03870	78.9
255.51244	0.8
255.99028	0.8
256.01700	1.2
256.04187	1.1
259.01749	0.7
260.04416	2.7
261.04568	2.9
261.14413	1.0
263.06207	0.9
268.01987	1.1
269.55670	0.8
272.95349	0.9
273.04916	4.8
278.05527	3.4
279.00861	0.8
279.03952	25.3
279.08072	3.9
279.15549	2.0
297.04941	33.9
297.08429	3.7
298.05310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	26.3
57.03431	0.7
57.07067	1.0
59.72932	0.5
69.03429	1.4
71.58955	0.7
71.95265	1.0
73.02913	1.1
74.97622	1.2
81.03412	1.5
82.06570	0.7
84.08141	10.1
84.96027	6.5
85.02907	0.9
86.97583	0.5
96.04475	0.6
97.02892	1.0
97.96812	0.5
98.97581	100.0
100.99117	0.8
101.00867	3.9
102.97076	1.0
103.00632	0.5
109.02900	0.7
110.97573	3.3
112.99124	1.5
116.98621	77.8
117.98885	0.7
119.00192	0.6
119.01914	16.9
121.01651	3.1
122.02080	0.5
124.99107	2.3
128.07092	0.9
128.98598	6.8
130.08664	2.6
131.00151	4.0
131.01895	1.6
133.03430	0.6
134.99654	39.4
135.03168	1.1
136.33472	0.5
137.02965	3.6
139.02739	0.7
140.00160	3.0
140.98625	3.1
142.03522	0.7
142.18437	0.4
143.00168	16.7
143.01854	6.1
144.98123	1.0
145.01648	0.7
145.03481	1.7
146.99640	7.2
147.03235	0.6
149.01208	2.6
149.02341	9.7
150.99155	1.8
153.00696	5.8
153.04109	0.6
155.00165	0.6
156.00162	0.9
157.01756	0.9
158.01263	2.7
158.99652	31.0
159.03207	1.6
160.00107	0.8
160.01328	0.8
161.00020	0.5
161.01231	18.5
161.02957	22.0
162.99168	1.5
163.02747	1.7
165.00719	2.5
166.01637	0.6
167.02225	0.8
168.00244	0.6
168.50179	0.6
169.00345	0.6
170.99619	1.1
173.01245	1.4
173.02968	2.3
174.99126	1.0
177.00720	78.5
177.02312	2.9
177.04097	1.6
178.01123	0.9
179.02295	3.1
179.03949	1.2
180.10239	2.3
183.01743	0.7
184.02852	0.6
184.04500	0.8
185.03004	0.8
187.02655	0.7
189.00726	3.9
189.02448	1.3
191.02263	1.2
191.03976	2.4
191.05630	0.6
193.00241	2.5
195.01808	10.7
197.00659	0.8
198.02032	0.5
198.03949	0.7
200.02342	5.0
201.00734	1.0
201.04283	0.6
203.03906	1.3
205.00391	1.1
207.01724	3.1
214.03143	0.5
216.01329	0.6
217.00484	0.7
219.01738	16.7
219.05309	0.9
219.98042	0.7
221.01451	0.5
221.05159	0.7
228.02586	0.7
233.05060	2.1
237.02814	57.2
237.97984	0.7
238.00945	0.6
238.03278	1.1
239.06071	1.0
243.13333	1.4
247.01389	1.9
247.04034	0.8
255.03870	78.9
255.51244	0.8
255.99028	0.8
256.01700	1.2
256.04187	1.1
259.01749	0.7
260.04416	2.7
261.04568	2.9
261.14413	1.0
263.06207	0.9
268.01987	1.1
269.55670	0.8
272.95349	0.9
273.04916	4.8
278.05527	3.4
279.00861	0.8
279.03952	25.3
279.08072	3.9
279.15549	2.0
297.04941	33.9
297.08429	3.7
298.05310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02383	1.4
53.03939	4.3
55.01865	1.3
55.05262	1.2
55.05506	16.1
57.07066	2.6
57.77287	0.8
60.61555	0.8
65.03914	1.1
67.05503	29.7
69.06717	1.1
69.07065	16.6
71.04973	2.3
71.05410	1.0
71.05773	2.0
79.05488	78.4
81.07053	34.4
83.04969	1.5
83.08624	8.4
85.06521	1.8
91.05477	28.8
93.07038	100.0
94.07391	0.9
95.04976	8.2
95.08598	26.2
97.06497	1.8
97.10178	4.3
105.04485	1.1
105.07024	15.5
107.08586	53.0
109.06521	1.5
109.10149	16.3
111.08086	1.3
117.07020	3.9
119.08582	12.5
121.10133	50.1
123.11703	3.1
125.09641	1.3
129.06993	1.5
131.08562	4.2
133.10139	14.5
133.58377	0.8
135.11679	59.1
136.17627	0.9
139.11183	1.0
143.08511	1.1
145.10121	3.4
147.11687	9.0
149.09637	1.5
149.13243	23.3
157.10138	2.4
159.11703	4.1
161.13239	5.0
163.11189	1.6
163.14815	6.8
171.11668	2.5
173.13251	2.3
175.11137	1.9
175.14793	2.4
177.12701	1.8
177.16338	1.0
181.12250	1.0
185.13245	3.4
189.12750	1.8
193.12279	1.9
195.13823	1.5
199.14825	1.2
203.14284	0.9
207.13722	2.4
213.16385	2.8
217.15843	1.2
221.15346	4.0
231.17448	1.1
231.21213	1.0
235.16971	5.0
241.19424	2.4
259.20578	4.3
277.21606	87.1
278.21964	2.3
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	Stearidonic acid
Peak:m/z	Relative Intensity
50.41027	0.8
51.02349	0.9
53.03932	3.3
55.01845	1.1
55.05267	1.3
55.05508	17.8
56.96532	0.9
57.03409	1.1
57.07078	4.5
59.04979	1.3
65.03945	1.5
67.05505	26.2
69.06709	1.1
69.07063	13.2
69.36793	1.9
69.37202	7.1
71.04984	1.5
74.85260	0.7
77.03896	0.9
79.05490	71.9
81.07056	34.6
83.04947	1.7
83.08605	6.6
85.06542	1.6
91.05476	22.6
93.07038	100.0
95.04966	7.5
95.08601	23.7
97.06531	2.2
97.10149	4.4
98.20737	1.1
101.05973	1.2
105.04478	1.7
105.07032	15.0
107.08588	45.6
109.06488	2.9
109.10152	10.7
114.10255	0.8
117.07006	3.4
119.08583	8.8
121.10136	44.7
123.08047	1.1
123.11682	4.5
125.09630	0.9
127.07543	1.1
129.06972	1.7
131.08565	4.1
133.10118	12.8
135.11682	43.0
137.09598	1.0
137.13216	0.9
139.11223	0.9
139.88779	0.9
143.08537	2.4
145.10103	3.3
147.04431	2.2
147.11641	5.9
149.09654	1.6
149.13255	18.3
156.53807	0.9
157.10112	1.9
159.11728	4.2
161.13234	4.5
163.11229	1.7
163.14792	5.0
165.05446	2.0
171.11723	2.2
173.13232	1.7
175.11244	1.1
175.14857	1.1
177.12903	1.2
179.10660	1.4
185.13289	2.2
195.13806	2.3
199.14764	2.4
207.13768	1.6
213.16325	2.0
217.15892	2.0
221.11769	1.0
221.15347	2.2
235.16911	5.0
241.19598	1.3
259.20508	3.5
276.63214	1.3
277.21609	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.9
57.03434	1.1
61.02905	0.9
69.03417	3.0
69.28580	0.8
70.04217	2.8
70.99861	0.7
71.04984	2.4
73.02909	1.9
77.00897	1.2
81.03416	5.5
82.99865	1.2
84.08135	0.9
85.02909	2.7
95.01937	0.9
97.02874	1.8
98.97566	1.4
99.04431	2.7
100.00095	1.3
101.00868	11.3
103.00647	1.9
103.02428	2.6
105.00323	1.1
109.02854	5.0
113.00832	1.3
115.02428	2.5
118.01118	3.1
119.01915	48.8
120.01953	1.2
121.01640	5.8
121.02383	0.9
121.03458	1.5
127.02408	1.7
127.03864	0.7
130.04893	0.8
131.01884	7.1
133.01633	6.3
133.03444	15.3
133.04369	0.6
135.03180	0.9
137.02937	12.8
139.02499	2.4
142.01115	1.9
142.03531	1.3
143.01872	8.2
144.02673	0.8
145.01636	2.3
145.03444	11.2
147.01405	1.6
147.03171	0.9
148.00713	0.9
149.02962	1.3
151.02689	0.8
151.04497	5.1
155.01878	2.3
156.02643	2.9
157.01588	5.4
157.03462	27.3
159.01407	3.4
159.05035	2.9
160.02182	4.9
161.01683	1.7
161.02957	23.6
162.27364	0.8
163.02710	5.5
163.04515	3.2
167.01869	1.8
169.03477	1.6
171.05031	3.1
173.02985	5.4
175.02742	14.2
175.04520	27.5
177.02403	1.0
177.04170	1.3
179.04044	2.9
181.03497	0.8
182.06754	0.9
183.05048	2.2
184.02194	2.8
185.02956	14.3
187.02864	1.4
187.04526	8.0
189.06081	3.5
191.03951	1.8
199.04488	6.5
201.06073	6.9
203.03995	8.5
205.05498	1.3
209.03044	1.0
211.04543	2.7
217.03796	1.5
217.05594	8.8
221.05060	2.1
227.03993	1.4
235.04555	4.0
235.06665	2.4
245.05000	4.6
252.58864	0.8
253.07742	2.3
259.06653	5.5
277.08627	89.1
277.13983	3.3
295.08731	100.0
296.08957	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34352	2.5
56.96554	6.5
57.03432	3.1
58.85577	2.7
58.99857	2.8
69.03410	6.5
70.06824	14.5
70.07116	2.8
71.04987	3.6
73.02910	5.4
77.00896	3.8
77.96471	2.8
81.03410	8.0
84.08131	2.9
84.42345	2.7
85.02885	7.8
92.58120	2.7
98.97585	7.0
101.00877	22.8
103.00657	3.2
103.02434	4.7
109.02886	5.7
116.07084	4.9
116.98631	2.6
118.01151	3.4
119.01918	89.5
121.01670	9.7
127.03899	3.6
128.07002	2.5
131.01900	16.9
133.01666	9.1
133.03430	22.4
137.02931	20.3
139.02502	6.7
143.01891	14.4
145.01677	3.6
145.03438	29.7
147.01320	3.0
149.01335	3.3
149.02887	2.8
151.04538	9.3
155.01891	8.3
156.02629	5.2
157.01630	5.5
157.02095	4.0
157.03464	48.2
158.51425	3.0
159.05020	3.8
160.02151	4.6
161.02957	54.9
163.02710	6.6
163.04510	5.2
167.01868	5.4
169.03485	3.7
171.04938	6.1
173.03029	13.1
175.02754	15.6
175.04527	37.9
176.08208	7.7
179.04039	3.2
185.02960	23.8
187.04527	10.9
189.06049	4.8
199.04495	8.5
201.06090	8.1
203.03999	14.9
217.05566	10.6
221.04996	3.3
227.03992	3.2
232.06987	4.3
235.06828	3.8
245.05058	7.7
259.06583	9.5
264.02524	2.7
277.03152	46.8
277.08588	65.9
287.59323	2.6
295.08719	100.0
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
55.01859	2.1
55.05504	7.2
56.96553	1.2
57.03438	8.4
58.50893	1.1
67.05497	12.0
69.03404	1.2
69.07048	6.8
71.04982	2.6
79.05489	14.8
80.01106	1.1
81.07050	16.9
83.08598	5.0
85.06544	2.5
91.05474	29.8
93.07030	15.1
95.04948	3.7
95.08589	12.3
97.06512	1.5
97.10164	1.5
98.20704	2.6
99.08066	2.3
105.07021	36.6
107.04935	2.1
107.08572	10.2
109.06487	2.7
109.10138	3.9
111.08058	2.1
117.07007	9.3
119.08567	24.9
121.10156	6.4
123.08045	2.7
129.06990	4.8
131.08557	11.9
133.10118	21.1
135.08018	2.7
135.11678	3.8
141.06985	1.4
143.08546	5.5
145.10123	13.5
147.08034	1.6
147.10628	1.9
147.11678	20.1
149.09610	7.5
149.13164	2.2
154.02194	1.2
157.10081	3.4
159.11705	9.8
161.09641	1.3
161.13249	5.4
163.11162	4.0
169.10118	2.9
171.11667	3.9
173.13243	6.9
173.14548	1.3
175.11148	1.4
175.14804	2.3
177.12607	1.5
178.73880	1.2
183.11754	3.1
185.13275	13.6
187.11130	1.1
187.14819	2.0
191.14272	1.6
197.13268	3.7
201.16362	4.2
203.14355	9.0
215.14331	2.0
219.17419	4.9
229.19397	1.5
239.17979	7.3
257.19006	15.0
275.05240	1.6
275.20041	100.0
275.27719	7.8
276.15948	2.2
276.20377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67553	3.2
55.01865	5.8
55.05482	3.5
56.05008	3.9
56.70444	3.2
56.96284	5.8
56.96557	79.5
57.03420	16.3
57.07065	3.3
58.03811	3.0
59.04990	3.2
61.02946	17.7
66.86347	3.0
67.65209	3.1
69.03428	36.3
70.06574	4.6
70.86246	7.0
70.86577	6.1
70.98108	7.1
71.01340	5.3
71.04982	9.0
72.08136	3.3
73.02912	36.0
74.00636	6.1
74.97594	5.2
81.03418	16.4
83.04959	4.2
83.78572	3.2
84.08137	7.1
84.96008	17.3
85.02895	46.8
87.04453	9.5
97.02873	39.5
98.06105	7.9
98.97572	98.0
99.04447	16.8
100.07520	3.2
101.00865	21.5
102.03579	3.7
102.97076	6.0
109.02875	10.4
110.06094	3.8
110.97558	26.7
112.07591	5.4
112.99132	11.8
113.02351	3.5
115.00674	3.6
116.07081	45.1
116.98610	70.7
118.01125	6.3
119.00156	7.0
119.01901	97.6
120.01160	16.9
121.01653	5.4
127.03875	11.3
128.98613	33.7
131.00139	27.8
131.01860	21.5
133.01752	7.5
133.03432	21.5
134.99641	36.4
137.02919	30.3
138.05486	4.1
139.02461	5.9
141.10173	4.8
143.00179	8.8
143.01894	23.0
144.13841	4.1
144.98082	5.3
145.01715	13.4
145.03432	31.3
145.04976	11.1
146.99637	35.6
147.01410	4.7
147.03194	6.8
147.05037	4.4
147.39095	3.6
148.03827	4.2
149.01192	24.5
149.03027	6.6
151.02776	5.2
151.04517	4.0
155.01851	13.1
157.03470	36.6
158.99660	19.4
159.01366	4.9
159.05000	6.0
161.01408	7.3
161.02943	100.0
162.99150	5.2
163.02782	10.2
163.04498	9.2
165.00705	13.3
167.02132	7.0
168.98120	3.8
170.99609	12.4
171.05029	6.2
173.01431	5.5
173.02956	23.1
173.06914	3.5
173.55203	4.0
175.03026	5.7
175.04500	44.1
176.08211	82.8
177.00708	38.2
177.02216	6.0
177.04024	4.4
178.04887	15.9
179.02338	6.4
179.04070	4.6
183.04044	23.5
184.04575	3.7
185.01266	6.3
185.02904	34.6
186.99147	8.8
187.02832	5.8
187.04500	14.6
188.03728	4.3
188.54874	9.6
188.97009	6.2
189.00674	14.8
189.06075	5.8
191.02240	11.8
191.03848	8.2
192.04681	6.8
193.03842	11.2
195.01735	7.2
196.04913	3.6
196.06732	16.4
199.04375	4.7
201.00719	6.4
201.06021	6.5
203.02361	6.5
203.04012	21.4
205.03741	5.3
207.01804	7.3
214.03856	4.1
215.04057	4.7
217.00276	4.1
217.05617	8.2
219.01733	35.5
219.05167	4.9
221.03221	5.6
221.05128	6.5
223.01143	5.3
232.07123	33.7
235.04770	8.6
237.02812	76.1
238.03088	3.7
245.05016	21.0
249.09857	9.6
253.05914	10.1
255.03992	6.7
257.09357	4.0
259.06540	18.3
263.00681	6.3
269.05438	4.1
276.58420	6.5
277.03018	15.1
277.07288	71.5
277.09482	30.4
277.14157	10.3
277.17764	4.2
293.05435	4.2
295.06793	30.7
295.08688	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05508	11.0
57.03437	6.6
57.07056	1.7
61.73775	0.7
63.96261	0.7
65.03934	0.7
67.05224	0.7
67.05505	8.9
69.07063	6.5
70.06580	2.1
71.04966	1.0
71.08614	1.4
71.11835	1.9
73.06551	0.7
79.05488	11.2
81.07054	11.0
83.04961	1.2
83.08600	4.3
85.06526	3.0
88.07616	4.1
89.07961	1.2
91.05476	26.7
91.20687	0.7
93.07037	10.2
95.04968	1.3
95.08600	9.3
97.06554	1.0
97.10172	1.4
102.09172	1.4
105.07027	38.1
106.08665	1.9
107.08570	6.5
109.06513	2.6
109.10141	1.8
111.08082	0.8
115.05335	0.8
117.07016	7.4
119.08577	31.6
121.06513	1.3
121.10134	3.0
123.04337	0.7
123.08144	1.1
129.07042	3.6
130.07762	0.9
131.08559	11.3
133.06425	0.9
133.10123	18.9
135.08041	1.3
135.11673	2.4
137.09531	0.7
138.86673	0.9
141.07030	0.8
143.08548	2.9
144.09265	0.7
145.10101	8.7
147.08005	1.4
147.11679	21.6
149.09613	3.1
155.08603	0.7
157.10114	4.4
159.11674	13.6
161.13237	8.3
163.11119	2.1
169.10118	1.9
171.11642	2.3
173.13246	4.5
175.11125	1.6
175.14761	1.0
183.11703	2.0
185.13228	8.6
187.11238	1.0
191.14302	0.9
197.13239	2.2
201.16351	1.6
203.14299	5.2
205.12302	0.9
216.45248	0.7
219.17455	1.7
221.30562	0.8
229.19392	0.9
239.17976	4.0
257.19009	10.1
257.26694	1.3
275.20044	100.0
275.27744	33.1
276.20435	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	1.2
55.05504	9.4
57.03431	5.0
57.07055	1.7
65.03909	0.8
67.05506	9.2
69.07056	6.0
69.23059	0.6
69.32892	4.1
69.33315	3.6
70.06564	1.9
71.04962	1.5
73.06546	0.9
79.05485	10.1
81.07048	11.0
83.00029	0.7
83.08619	5.4
85.06532	2.4
87.28452	0.7
88.07610	1.8
89.07936	0.7
91.05476	26.3
93.07037	10.6
95.04944	1.3
95.08604	8.4
95.20099	0.7
97.06523	1.9
97.10181	1.1
98.20760	1.1
105.07026	36.6
106.08646	1.2
107.04919	0.8
107.08555	6.8
109.06493	1.8
109.10148	2.8
113.27242	0.7
115.05374	1.1
116.74982	0.7
117.07028	8.3
119.08573	29.6
121.10148	3.7
123.08044	1.2
129.06990	3.2
131.08568	8.6
133.10121	18.6
135.08040	1.3
135.11665	2.0
137.09659	0.8
141.06990	0.8
143.08524	2.8
144.09398	0.7
145.10121	9.2
147.11676	19.7
149.09610	2.6
155.08630	1.1
157.10107	3.4
159.11700	12.9
161.13251	7.8
163.11162	1.9
169.10091	1.6
171.11705	1.6
173.11995	0.9
173.13237	5.2
175.11205	1.0
175.14799	1.8
183.11649	2.7
185.13272	6.8
187.11192	0.8
191.14189	0.9
193.12042	0.7
197.13264	1.8
201.16396	1.4
203.14307	5.0
211.14856	0.8
219.13708	0.8
219.17421	2.1
229.19432	1.0
239.17924	3.6
257.19006	9.7
257.26794	1.9
275.20047	100.0
275.27753	25.1
276.20389	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	2.7
55.01858	2.4
55.05502	22.7
56.96560	4.3
57.03422	4.8
57.07073	14.5
65.03929	2.4
67.05500	35.4
69.03422	11.5
69.07059	34.6
71.04974	4.1
71.08624	5.0
71.15336	2.2
71.15682	4.0
73.02898	3.0
74.09673	1.9
79.05485	53.5
81.07051	54.5
83.04975	15.3
83.08601	15.8
85.02879	2.6
85.06536	49.6
91.04966	2.1
91.05472	22.8
92.05000	3.4
93.07036	31.5
95.04952	8.6
95.08598	67.9
97.06536	3.1
97.10156	7.2
98.97590	9.3
99.04453	2.3
99.08090	21.3
105.07022	38.4
107.04939	14.0
107.07367	2.8
107.08586	41.9
108.08110	20.7
109.06499	8.3
109.10150	46.9
111.11674	4.4
113.09637	3.0
115.05430	2.2
116.98592	7.7
117.05685	2.3
117.07019	6.9
119.01885	2.4
119.08557	27.3
121.06494	8.0
121.10133	49.7
122.05994	4.3
122.07294	16.2
122.09692	10.7
123.04435	3.9
123.08042	7.1
123.11683	16.3
125.09618	8.5
127.03854	2.3
131.08539	14.8
133.10118	28.2
134.99628	4.1
135.08044	9.9
135.11684	22.0
137.05981	3.1
137.09605	100.0
137.13237	9.4
138.05466	25.7
139.07469	2.9
139.11171	7.3
143.01913	2.0
143.08530	5.7
144.09297	2.0
145.06427	2.8
145.10104	24.5
146.99602	2.5
147.08034	3.3
147.11681	13.5
149.09607	15.2
149.13255	14.6
150.09128	87.2
151.07500	2.4
151.09438	3.8
151.11195	3.3
151.14798	4.0
155.08534	2.9
156.09319	2.8
157.10107	6.3
158.99614	3.4
159.08014	3.8
159.11647	15.3
161.09618	6.9
161.13225	6.1
163.11171	14.7
163.14819	13.1
165.16389	2.7
169.10036	3.0
171.11668	4.5
173.02945	4.7
173.09570	3.4
173.13232	21.3
175.11166	4.7
175.14746	3.0
177.00694	6.0
177.12750	4.7
177.16344	4.6
183.11676	3.0
185.13242	2.6
187.11188	6.3
187.14819	6.1
189.16336	2.4
191.14293	18.7
197.13228	4.9
199.14815	5.5
201.12704	11.4
205.19618	3.1
215.14351	11.2
215.17781	2.2
217.15863	9.1
219.01854	2.5
219.13808	16.2
228.62135	2.3
229.13503	8.8
229.15674	2.3
229.19594	3.0
239.17941	4.5
252.07385	2.4
256.65198	4.5
257.08237	2.8
257.12900	19.4
257.15314	3.8
257.18985	16.7
257.21771	2.1
257.22693	2.3
258.13147	3.6
275.09116	4.2
275.13919	16.3
275.16785	5.0
275.20047	93.5
275.23184	3.2
275.27301	35.4
276.20352	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.40345	1.8
53.03925	2.3
53.08974	1.6
55.01852	2.8
55.05507	15.3
56.96557	2.9
57.03428	3.4
57.07061	3.7
67.05504	25.2
69.03417	8.6
69.07056	14.8
69.69942	9.4
69.70354	3.3
71.04966	3.7
73.02900	2.2
75.85764	1.8
79.05490	35.7
80.87755	1.7
81.07057	40.6
83.04959	11.4
83.08604	8.2
85.02877	3.6
85.06541	29.5
91.05479	26.9
93.07031	28.2
95.04964	10.4
95.08603	31.0
97.02883	3.1
97.06535	4.3
97.10168	2.8
98.97581	3.7
99.04430	2.5
99.08097	10.6
101.56304	1.7
105.06378	2.6
105.07027	32.6
107.04944	9.8
107.08597	28.1
109.06525	7.0
109.10146	19.7
111.08054	3.7
113.02327	2.2
113.09624	2.7
115.05392	2.0
116.98628	4.5
117.06999	7.2
119.01892	3.8
119.08572	31.7
121.06493	7.8
121.10140	36.7
122.07272	8.1
123.04428	5.4
123.08048	9.1
123.11700	8.3
125.09613	5.3
127.03910	4.9
129.06993	5.7
131.01907	3.7
131.08578	13.5
133.06477	2.5
133.10133	26.7
135.08028	6.2
135.11711	13.7
137.06018	2.8
137.09610	49.6
137.13240	4.2
139.11197	3.6
140.11455	1.9
143.08557	6.4
144.09357	2.3
145.03447	2.1
145.10115	20.8
147.04526	1.9
147.07997	3.2
147.11700	12.7
149.09615	16.5
149.13280	6.4
151.07588	1.8
153.05478	2.5
155.01910	3.5
157.10146	6.7
158.10948	2.1
159.08043	3.9
159.11696	16.5
161.02966	3.4
161.09633	6.5
161.13251	5.3
163.07547	2.3
163.11140	10.4
163.14861	6.5
167.08380	2.1
169.10178	2.6
171.11650	4.7
173.02921	6.6
173.09596	4.0
173.13243	18.3
175.07616	2.8
175.11206	4.1
175.14847	3.2
177.12766	3.6
178.62578	2.2
182.13304	1.7
183.11714	3.2
185.13310	3.5
187.07500	1.8
187.11211	4.2
187.14760	11.4
187.86128	1.7
189.12587	2.8
191.14314	12.6
195.40370	1.8
197.09610	2.3
197.13289	3.4
199.14822	5.5
201.12651	8.9
201.16423	2.1
215.14346	7.9
215.17914	4.1
217.15842	9.4
219.13828	8.8
229.19475	3.2
233.04956	2.6
239.17995	3.4
247.20659	2.8
252.07552	2.2
257.19046	16.6
257.22556	2.3
275.05151	2.2
275.09158	2.6
275.16916	4.2
275.20074	100.0
275.23489	6.7
275.27316	5.5
276.20471	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	1.7
55.01862	1.5
55.05268	1.0
55.05508	16.0
56.96545	1.2
57.03426	1.3
57.07059	2.7
65.03918	0.9
67.05174	0.9
67.05505	14.5
67.60056	0.8
69.03422	1.2
69.07068	10.6
70.06578	2.8
70.50399	1.2
70.50748	2.4
71.04971	3.4
71.08609	0.8
79.05486	16.3
81.07051	19.8
83.04973	1.8
83.08607	5.7
85.02885	1.0
85.06532	1.9
88.07603	2.3
91.05474	47.3
93.07040	17.9
95.04951	2.6
95.08604	10.1
97.06504	1.6
97.10152	3.9
103.05441	1.2
105.07023	72.0
106.08643	1.9
107.04946	2.8
107.08577	10.7
109.06491	2.1
109.09472	1.0
109.10114	5.8
111.04382	1.3
117.07008	10.9
119.08570	35.0
121.06474	3.2
121.10114	4.7
123.04388	1.3
123.08048	1.8
125.01141	0.8
125.09628	1.2
127.03910	2.3
128.06226	1.0
129.06999	4.0
131.08557	18.1
132.03412	0.8
133.10123	49.8
135.08028	1.9
135.11670	2.6
137.09628	1.2
138.69356	0.8
141.06961	1.1
143.08527	3.4
145.10114	14.9
146.10760	0.9
147.07994	1.8
147.11679	24.1
149.09615	5.8
155.08505	2.5
157.10117	2.6
159.11690	8.6
161.09538	1.5
161.13255	4.9
163.11172	1.5
169.10091	2.3
171.11664	4.6
173.13231	5.3
175.11131	1.7
183.11618	3.1
185.13174	0.9
187.11197	1.2
189.12775	0.9
197.13232	3.4
199.14809	1.1
201.12555	1.0
211.14708	1.8
213.16389	0.9
215.14430	1.4
233.15381	1.4
239.17911	4.5
252.07684	1.0
257.18951	9.2
257.26599	2.2
261.53830	0.9
275.20041	100.0
275.27740	27.9
276.20474	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.96562	3.1
69.03413	1.7
69.74297	3.0
73.02900	0.5
81.03384	0.7
81.07037	0.5
82.06566	0.8
84.08142	2.6
85.02908	2.2
87.04382	0.6
97.02887	1.8
98.97598	3.0
101.00851	0.7
113.02345	1.1
116.98650	2.7
119.01926	1.3
122.06034	1.6
125.07085	0.7
127.03881	1.1
128.07054	1.8
130.08582	0.7
131.01915	0.7
134.99608	1.2
137.05972	0.9
143.03421	0.7
144.98093	0.6
145.03391	0.6
145.04958	0.8
146.99593	0.7
155.04807	0.5
157.06462	1.3
161.02966	1.6
173.02914	0.9
173.09180	0.6
185.06050	0.9
201.00797	0.6
203.07611	0.8
212.55170	0.6
213.05482	0.8
219.01729	0.7
221.04869	0.8
223.01253	0.9
237.02844	0.9
245.08160	1.5
258.11359	0.9
275.11005	100.0
276.11417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	Corymbiferan lactone D
Peak:m/z	Relative Intensity
55.01860	6.5
56.96543	2.3
57.03418	1.9
65.51882	1.2
68.99781	2.6
69.03423	1.3
69.07027	1.2
70.06573	1.1
71.59143	2.0
71.85606	1.2
79.05457	1.8
81.03410	2.2
81.07043	1.3
82.06588	1.1
85.02879	3.1
86.09664	1.3
86.36768	1.2
91.04531	1.3
91.05471	3.9
93.07050	1.3
95.04925	1.6
97.02872	3.5
98.97540	1.8
103.05447	3.1
105.07015	3.7
112.99051	1.1
113.06014	1.8
115.05428	17.8
116.06234	4.3
116.98534	1.3
117.07001	4.7
118.04135	4.5
119.01897	4.0
119.04878	3.0
127.05418	2.1
128.06206	4.1
129.03369	3.1
129.07021	8.4
129.11839	1.5
130.04115	1.3
130.07733	3.0
131.01945	1.7
131.04930	7.6
131.08556	4.1
132.05705	7.1
133.06494	2.9
139.05458	2.4
140.06213	2.5
141.06981	47.5
143.03464	1.3
143.04929	10.5
144.05681	10.8
145.06493	9.9
146.03636	7.7
147.04378	2.4
147.08044	2.2
150.03094	1.4
152.06119	2.1
153.07001	3.0
155.01942	3.0
155.04907	7.8
155.06032	1.7
155.08557	4.9
156.05731	1.5
157.02864	10.7
157.06500	13.2
158.03621	1.4
158.07216	8.1
159.04372	4.9
159.08049	8.4
160.05173	7.0
161.02922	2.6
161.05983	17.1
162.03081	4.1
164.07034	1.9
165.06982	3.9
168.05678	10.1
169.06485	38.1
169.07718	1.4
170.07179	3.2
171.04404	16.6
172.05179	8.2
173.02924	2.9
173.05957	10.8
173.09573	2.1
174.03171	2.1
175.03877	1.9
175.07538	8.8
176.04663	4.4
177.05476	6.5
179.07045	2.5
181.06526	2.5
183.04407	2.3
183.08034	5.7
184.05238	1.9
185.05949	10.6
186.06728	24.8
187.07532	22.3
188.04666	4.1
189.05452	26.9
190.06224	5.9
191.07005	20.6
192.04204	2.5
192.07727	1.6
196.05266	7.7
197.04138	1.8
197.05960	38.5
198.06725	4.9
199.03842	8.3
200.04663	11.0
201.05446	7.7
201.09076	15.6
203.06995	15.4
204.07774	7.3
205.08510	5.5
211.07527	8.3
213.05472	4.4
214.06229	14.0
215.07008	41.5
215.14310	1.9
216.04129	2.0
216.07762	2.0
217.05006	8.4
217.08487	2.3
218.05702	1.7
219.06497	1.4
219.10196	2.0
225.05542	8.3
226.06197	3.1
228.04095	2.6
229.04944	3.8
229.08589	28.0
230.05745	3.1
231.06464	20.3
232.07271	7.0
233.07986	1.7
239.07149	3.0
242.05670	11.2
243.06506	24.7
244.07234	3.3
245.04443	17.2
245.06918	1.5
245.08125	2.5
247.09621	29.4
257.08075	25.9
258.08743	1.4
259.06015	1.6
260.06793	52.7
275.06107	3.2
275.09109	100.0
275.13861	3.2
275.20038	1.9
276.09595	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	ent-Fisetinidol
Peak:m/z	Relative Intensity
50.31786	1.0
53.03936	1.0
55.01854	1.7
55.05494	4.7
57.03408	1.9
65.03928	1.9
67.05501	7.7
69.07047	4.0
71.18616	1.9
79.05477	6.4
81.03382	1.1
81.07061	6.9
83.08614	1.4
85.65784	1.0
91.05474	7.4
93.07040	6.4
95.04954	9.0
95.08598	6.9
97.02895	1.6
98.56956	1.0
98.97575	2.0
105.07030	12.3
107.08576	4.3
109.06469	1.2
109.10119	3.1
110.03661	2.1
117.07033	2.1
119.01867	1.8
119.08589	6.4
121.10120	3.9
123.04422	100.0
123.11680	1.0
125.05933	1.0
131.08572	3.2
133.10143	6.2
135.08032	1.7
135.72968	1.0
138.03094	15.2
141.06850	1.0
145.10121	3.6
147.11667	3.8
149.09595	1.7
149.13251	2.1
151.07567	2.0
153.05457	63.9
154.02135	1.3
155.01904	1.3
157.10110	1.7
159.08076	1.4
159.11713	2.3
159.12903	1.1
171.11644	1.3
173.03011	1.9
173.13272	1.4
179.50381	1.1
181.52431	1.1
197.13329	1.1
201.16357	1.1
205.12216	1.6
215.14188	2.5
228.04318	1.2
229.04929	1.3
243.06619	2.4
257.19022	2.1
260.06882	1.2
275.06073	1.7
275.09103	47.4
275.13705	1.8
275.16876	2.4
275.20038	21.0
275.27625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.221
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03931	1.6
54.25332	1.2
54.51892	1.2
55.05505	6.9
56.96541	2.0
57.07069	2.3
59.04985	2.1
67.01859	1.7
67.05511	7.1
69.03411	1.9
69.07069	8.2
70.07337	5.4
70.07760	2.1
71.04977	12.1
79.05473	6.7
80.45172	1.2
81.07046	26.5
81.52006	1.3
83.04959	1.4
83.08595	4.4
85.06522	3.1
91.05480	10.6
92.68760	1.3
93.07028	20.2
95.04941	5.1
95.08591	21.1
97.06480	2.0
97.10150	2.5
103.44771	1.4
105.07020	28.3
107.04923	2.6
107.08579	20.9
109.06500	6.5
109.10149	11.8
111.08070	18.0
113.09615	8.1
117.07014	5.8
119.04914	9.9
119.08564	55.6
121.10146	18.0
123.04404	2.9
123.08073	1.5
123.11682	11.6
131.08557	19.4
133.10127	11.8
135.07985	2.3
135.11748	6.9
135.55855	1.5
137.09592	2.5
137.13219	1.4
143.08530	6.3
145.10101	23.6
147.04396	32.5
147.11638	10.0
149.13246	6.9
151.11104	2.0
153.01813	64.5
154.02185	1.7
157.10112	13.8
159.11670	48.0
161.13229	11.8
163.11139	1.7
163.14816	6.2
171.02850	2.7
171.11688	8.9
173.13258	16.4
175.14816	5.2
177.12770	6.9
179.14320	4.8
185.13290	9.3
187.14775	4.8
189.16393	5.1
199.14810	13.6
201.16312	1.6
203.14326	2.8
203.17876	3.0
213.16286	10.6
215.17929	66.0
217.15862	3.1
225.77380	1.5
227.18034	3.0
229.19492	9.2
231.20967	2.3
255.18288	2.8
255.21060	59.1
256.21692	1.7
261.52206	1.6
273.07547	66.6
273.10510	3.3
273.18808	3.5
273.22089	100.0
274.07828	4.2
274.22412	3.1
274.27417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01855	0.8
55.05488	2.4
56.96540	1.4
57.03411	0.7
57.07058	0.5
65.03890	0.5
67.01865	4.7
67.05496	2.8
68.99773	1.4
69.03406	2.3
69.07063	3.8
71.04977	0.6
71.34692	0.5
71.54888	1.0
73.02905	1.5
79.05499	2.8
81.03367	0.9
81.07050	6.2
83.04985	0.6
83.08574	1.0
85.02888	1.2
91.05476	8.4
93.07031	5.0
95.04951	2.5
95.08595	5.8
97.02882	1.3
98.97574	3.4
103.05476	0.6
105.07022	4.2
107.04950	2.5
107.08593	5.8
109.10155	3.6
110.97549	0.9
111.00818	0.8
116.98608	2.0
119.04927	14.6
119.08558	3.8
120.08859	1.2
121.02861	0.8
121.06493	2.1
121.10126	3.2
121.78558	0.5
123.04433	4.2
123.11706	1.5
128.98560	1.3
131.00168	0.8
131.08578	0.9
133.10123	3.0
134.99596	1.1
135.11685	2.5
137.02318	1.1
137.05945	0.7
137.13266	0.8
141.07016	0.6
145.10141	0.8
146.99661	1.5
147.04399	43.3
147.11668	1.6
149.01222	0.6
149.05960	2.0
149.13232	2.3
151.03918	0.5
151.07477	0.8
152.06227	0.8
153.01814	100.0
153.06950	2.2
154.02107	0.8
157.06500	0.5
158.99658	1.4
159.11720	0.7
160.67796	0.5
161.13251	1.4
163.03928	0.9
163.14822	1.2
169.06447	0.9
170.99715	1.0
171.02863	17.4
175.14767	2.3
176.04640	0.8
176.15152	0.7
177.00684	1.8
177.16374	1.1
179.03421	1.2
181.06461	3.4
189.00725	3.4
189.05476	1.0
189.16362	1.1
191.18048	0.6
195.07982	1.2
203.17981	1.0
204.04144	0.7
207.01842	0.7
209.05917	0.6
213.09142	2.1
217.19569	1.6
220.25880	0.6
231.01524	0.6
232.03705	1.8
241.08589	1.7
244.57861	0.6
245.08049	1.8
249.02927	1.1
252.09390	3.2
252.59727	0.6
255.06578	1.1
263.60559	0.7
270.94876	0.7
272.61075	2.2
273.07568	86.6
273.10959	3.1
273.22461	1.1
273.25693	8.8
274.07956	2.1
291.03946	1.4
292.04050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.94167	0.7
55.05485	2.1
56.96546	1.7
57.03423	1.1
57.07064	0.7
58.51440	0.6
58.78618	0.6
64.85509	0.6
65.03917	0.9
67.01861	4.8
67.05507	3.4
68.99770	2.5
69.03413	2.6
69.07066	3.1
69.50980	1.8
69.51405	3.9
71.26799	0.7
73.02892	2.1
79.05479	3.0
79.56064	0.7
81.03402	0.8
81.07056	8.5
83.01326	1.0
83.08598	1.8
85.02882	1.2
86.46897	0.7
91.05480	7.6
92.05772	1.0
93.07047	3.9
95.04962	2.9
95.08598	8.0
97.02874	1.7
97.10143	0.6
98.97569	4.4
105.07039	5.2
107.04924	2.7
107.08596	5.6
109.10134	4.2
110.97598	1.2
111.04417	0.8
116.98632	2.7
119.04940	15.2
119.08571	5.3
120.08902	1.5
121.02802	0.9
121.06476	1.6
121.10149	3.4
123.04443	5.0
123.11691	1.8
128.98595	2.5
131.08583	0.9
133.10117	3.4
135.11674	2.1
137.02351	0.8
141.06992	0.7
146.99648	1.5
147.04398	45.8
147.11664	1.6
149.02353	0.7
149.05956	1.5
149.13246	2.0
151.07535	1.1
153.01817	100.0
153.06929	3.1
154.02122	1.5
158.99689	1.4
159.11633	1.0
163.14799	2.1
163.67445	0.6
170.99693	1.5
171.02872	18.0
175.14839	2.8
176.04718	0.8
176.94342	0.7
177.00618	1.0
177.16379	1.1
179.03389	1.4
181.06479	2.7
185.01488	0.8
189.00723	2.8
194.04282	0.8
203.18060	1.1
205.04962	0.7
206.59064	0.7
207.01886	1.1
209.06007	1.1
213.09125	1.7
217.08315	0.6
217.19502	1.7
231.01773	0.9
231.06531	0.8
232.03670	2.1
237.02939	1.2
241.08563	2.2
244.57765	0.7
245.08105	1.2
249.02789	1.1
252.09390	2.3
255.06335	0.7
261.09808	0.7
263.60406	0.8
272.61038	2.4
273.07562	89.6
273.10889	3.8
273.18640	1.4
273.22452	0.8
273.25772	9.5
274.07919	1.0
291.03918	1.9
292.04147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01840	0.5
59.79218	0.4
67.01527	0.5
67.01860	6.2
68.99776	2.3
69.03408	1.1
69.59370	3.4
69.63187	0.4
78.76810	0.4
81.03395	0.5
81.07057	0.6
83.01334	0.7
91.05477	4.9
93.07017	0.6
94.63986	0.4
95.04953	1.8
95.08611	0.5
97.02879	1.5
98.50646	0.4
98.97584	0.6
103.57042	0.4
105.06998	0.5
107.04936	2.4
107.08607	0.5
110.93832	0.4
111.00810	0.7
119.04932	13.2
121.02874	0.4
121.06500	1.3
123.04420	3.2
125.02357	0.6
127.03899	0.7
129.01837	0.7
129.70465	0.4
147.04399	37.6
148.04758	0.5
149.13177	0.5
153.01816	100.0
154.02159	1.3
171.02873	21.4
179.03354	1.1
181.06433	0.5
189.05469	1.0
231.06558	0.7
252.09370	0.8
255.06366	0.6
273.07559	79.4
274.08014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Isotoralactone
Peak:m/z	Relative Intensity
55.01861	3.6
55.05470	0.8
57.07050	0.8
57.17546	0.8
67.01846	0.9
67.05463	1.0
69.03403	3.4
69.07056	1.1
70.06545	0.9
71.04963	0.7
71.31091	1.7
73.54083	0.8
81.03379	1.1
83.04963	1.4
84.04461	1.1
84.08102	1.4
85.02879	2.8
89.03902	4.5
91.05444	3.2
93.07017	1.3
95.01302	2.2
95.04948	2.5
95.08546	1.2
97.02856	1.5
98.97531	1.4
100.07590	0.9
103.05414	1.8
105.07038	1.3
107.04918	1.8
107.08577	0.9
111.04469	0.9
115.05440	14.5
116.98597	1.1
117.03345	4.1
117.07005	1.5
119.04948	4.9
119.08560	1.3
121.06482	2.6
121.10075	0.9
122.71278	0.9
123.04440	6.8
127.03890	3.1
128.06204	2.9
129.07004	9.8
131.04927	1.1
131.08513	1.0
132.05707	1.3
134.03621	0.9
134.99591	1.0
135.04410	2.4
139.05394	2.9
141.06975	16.6
141.65253	0.8
143.04915	10.3
143.08516	1.5
144.05730	3.5
145.02832	3.2
145.06453	1.7
147.04381	12.5
147.08002	1.5
149.05971	28.9
151.03951	1.3
151.07481	1.5
152.06044	0.9
153.01813	25.0
153.06938	5.2
153.77028	0.8
155.04890	1.2
156.05756	1.0
157.06471	13.8
158.07236	3.0
159.08028	1.1
160.05194	15.8
161.05928	3.5
163.03871	1.4
165.07013	1.2
167.04907	2.9
168.05762	2.0
169.06468	14.1
170.07185	1.5
171.02995	1.4
171.04385	19.8
171.08044	1.5
173.05873	0.9
174.06702	2.3
175.07527	50.4
176.07866	1.1
177.05458	5.2
181.06459	6.1
183.04436	1.7
184.05199	15.3
185.05940	15.1
185.07463	1.4
186.06711	3.4
187.07532	3.4
188.04672	4.1
189.05446	3.1
189.09076	4.7
195.04413	1.5
196.05150	2.6
197.05994	3.9
198.06694	2.3
199.03870	10.0
199.05496	1.0
199.05859	1.0
199.07515	8.7
200.04668	3.4
200.08214	1.3
201.09094	5.7
203.07011	47.0
209.05927	0.9
211.07594	0.9
212.04665	29.3
213.05423	7.9
213.09062	3.1
214.06230	10.9
215.06960	4.7
216.04192	2.3
217.08632	7.8
227.07004	100.0
228.07352	2.0
229.05040	1.5
229.08583	17.1
229.10875	0.9
231.06506	55.0
232.06909	1.5
241.04924	9.2
241.08653	2.6
245.08070	59.5
246.08287	1.5
255.06526	3.2
255.11247	1.0
273.07547	78.9
273.11157	2.7
273.12164	2.7
274.07742	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Dihydrogenistein
Peak:m/z	Relative Intensity
53.03924	0.7
55.05495	1.9
56.96560	1.0
57.07053	1.4
61.33094	0.5
67.01860	2.1
67.05490	2.8
68.99798	2.3
69.00114	0.5
69.03404	1.7
69.07061	5.0
69.94274	2.5
77.03906	0.4
77.58289	0.4
79.05479	2.0
81.07047	7.1
83.08620	1.9
84.77770	0.4
85.02926	0.4
91.05470	7.7
93.07037	4.8
95.04961	3.0
95.08594	6.9
97.02879	0.7
97.10168	0.6
98.97575	3.1
103.05445	0.8
105.07027	3.2
107.04943	90.5
107.08589	4.4
108.05292	0.8
109.06519	0.4
109.10142	4.5
111.11697	0.6
116.98624	1.7
119.04927	16.5
119.08597	2.3
121.06499	6.5
121.10152	3.2
122.21156	0.4
123.04430	4.3
123.11643	2.2
131.04890	0.5
131.08615	0.6
133.10127	2.0
134.99663	0.9
135.11646	2.9
137.13220	1.1
145.10117	0.6
147.04396	44.3
147.11667	1.9
148.04745	1.2
149.05965	8.4
149.13261	3.4
151.03862	1.3
153.01811	100.0
154.02173	1.3
157.06425	0.5
158.99644	1.6
161.13200	2.2
163.14809	1.8
167.07025	38.3
171.02869	4.3
175.14836	1.2
177.00728	1.5
177.16354	0.8
179.03438	0.6
181.06445	0.8
189.05466	0.7
189.16359	1.3
191.17906	0.5
203.17955	1.2
213.09077	0.5
217.19530	1.5
227.07004	0.5
241.08566	0.4
255.06720	0.8
255.10118	1.6
265.15411	0.6
273.07562	86.1
273.11081	9.3
273.25748	11.3
274.07886	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Isotoralactone
Peak:m/z	Relative Intensity
53.19736	0.9
55.01860	2.6
55.05496	1.1
56.96546	1.5
57.03422	1.3
67.05486	1.4
69.03410	3.8
69.07050	4.2
71.35483	1.8
77.03896	0.9
78.39507	1.1
79.05480	2.1
81.03439	1.4
81.07050	1.7
83.04943	1.2
85.02894	1.9
86.15891	1.0
89.03896	3.8
91.05458	4.2
95.01311	6.4
95.04967	2.2
95.08587	1.3
97.02897	1.7
98.97559	1.8
99.00830	1.0
100.07600	1.3
105.07016	1.2
106.04189	1.0
107.04932	3.7
111.04431	1.4
115.05442	15.7
117.03371	5.1
117.07000	2.5
119.04953	5.0
119.08550	1.7
119.10085	1.0
121.02828	1.8
121.06509	2.5
121.37488	1.1
123.04433	3.9
128.06200	4.6
129.06989	11.5
131.04947	2.7
134.03632	2.5
135.04407	3.4
137.02274	5.0
137.05920	1.5
139.05396	4.2
141.06981	16.3
143.04922	12.4
143.08618	1.1
144.05692	1.7
145.02902	3.2
145.06412	1.5
145.10185	1.1
146.05983	1.4
147.04401	12.3
147.08012	1.5
149.05971	29.3
151.03966	1.1
152.06155	1.2
153.01830	19.7
153.06987	5.0
157.06488	13.1
158.07249	2.8
160.03995	1.6
160.05170	10.5
161.05980	2.9
163.03896	2.8
167.04922	4.2
168.05647	2.1
169.06487	15.9
171.03030	1.3
171.04393	20.1
171.08006	1.9
173.06009	1.2
174.06738	3.1
175.07532	41.4
177.05455	8.6
181.04967	2.0
181.06490	6.0
184.05185	15.3
185.05940	14.5
186.06746	3.6
187.07539	2.7
188.04695	3.4
189.05530	2.0
189.09097	4.4
195.04311	1.7
196.05217	2.4
197.05969	5.4
198.06673	1.5
199.03935	11.3
199.05516	1.4
199.05853	1.1
199.07507	10.7
200.04552	2.0
201.09155	4.8
202.06276	1.6
203.06995	36.9
203.20673	1.3
209.05981	1.3
211.03679	1.2
212.04672	32.7
213.05449	8.3
213.09085	2.4
214.06207	12.1
215.06984	4.3
216.04102	2.3
217.08635	6.1
227.07011	100.0
228.07391	2.4
229.08582	16.1
230.05798	1.5
230.08170	1.4
231.06506	45.8
236.61789	1.2
241.04936	9.3
241.08641	3.6
245.08080	68.3
255.06535	4.3
265.00150	1.1
273.07556	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01866	3.5
55.05508	34.7
56.96556	1.2
57.03433	24.7
57.07064	3.6
59.05011	0.8
65.03941	3.0
67.01862	0.9
67.05500	54.5
68.11308	0.4
68.99776	4.5
69.03430	2.4
69.07064	36.9
70.33785	0.4
71.04990	11.8
71.08628	1.8
71.15323	1.0
72.09303	0.4
73.02927	0.5
73.06551	1.7
75.04497	0.4
77.03931	0.6
79.05486	26.2
80.06281	0.4
81.03424	1.3
81.07051	93.3
82.07400	0.6
83.04977	4.6
83.08613	21.9
85.02903	1.4
85.06050	0.8
85.06537	9.1
85.10131	0.4
91.05473	25.2
93.07036	28.5
95.04964	4.7
95.08600	100.0
96.08928	0.5
97.02871	0.5
97.06528	14.6
97.10163	7.2
98.97582	2.3
99.04417	0.8
99.08089	5.4
101.02367	0.6
101.06002	0.7
103.05487	0.8
104.47655	0.4
104.77417	0.4
105.07024	26.4
106.07323	0.6
107.04958	5.1
107.08587	16.2
109.06529	3.3
109.10144	21.5
111.04481	0.5
111.08062	4.3
111.11722	1.4
113.06013	1.0
113.09618	1.2
115.05448	1.8
115.07576	1.0
116.98622	1.8
117.05519	0.5
117.07014	4.2
119.04924	4.0
119.08575	30.9
121.02863	4.5
121.06534	0.7
121.10135	12.0
123.08058	5.2
123.11697	6.0
125.09621	2.0
127.03877	0.5
127.07520	1.1
128.06291	0.6
129.06984	1.2
131.00159	0.6
131.04924	1.2
131.08560	6.0
133.02841	2.2
133.06418	0.6
133.10123	23.3
134.03615	2.6
134.99675	1.4
135.04350	0.4
135.11674	13.8
137.02332	1.0
137.05981	1.5
137.09625	3.1
137.13248	6.6
139.46629	0.4
141.06973	6.3
141.09052	0.5
143.06990	0.8
143.08569	0.4
143.10674	1.3
144.05779	1.0
144.09297	0.8
145.02879	1.0
145.06503	2.1
145.10106	8.2
146.10857	0.5
147.04439	2.6
147.08041	2.4
147.11667	7.0
149.01225	0.9
149.02322	9.3
149.09732	0.4
149.13252	6.7
151.11200	0.8
151.14819	1.3
152.06239	1.2
153.01811	5.3
153.07004	5.0
154.07536	0.5
155.07388	0.4
155.08533	2.5
157.06465	1.0
157.10025	1.0
158.10974	0.4
158.99673	0.6
159.08061	1.6
159.11685	9.9
161.05936	0.5
161.13248	36.5
163.03882	1.0
163.14827	3.1
165.06978	9.7
165.12723	0.4
168.05696	2.2
169.06485	8.5
170.07011	0.4
171.02888	1.4
171.11647	0.9
173.01234	1.0
173.05997	2.2
173.13242	5.4
175.14824	6.4
177.00717	1.3
177.16360	1.4
179.14301	14.5
181.06488	2.2
182.07161	1.2
183.08047	6.3
184.05006	0.4
184.08420	0.6
185.05986	1.9
185.13274	0.5
187.07550	1.9
187.14799	4.7
189.16324	3.2
191.02237	1.3
193.06494	1.3
196.05190	1.0
197.05984	9.5
197.15347	1.1
198.06548	1.2
200.04756	0.8
201.05441	0.6
201.09128	0.5
201.16385	5.1
203.17908	0.7
207.04388	0.7
210.06747	1.1
211.07539	7.6
212.08301	1.3
213.05472	1.5
213.16246	0.5
215.07013	84.1
215.17908	6.7
216.07326	4.0
221.06049	2.3
225.05461	1.4
225.09283	0.4
226.06415	0.5
228.07742	0.7
229.19537	1.5
239.07063	1.9
242.05676	3.1
242.09457	0.5
243.06517	25.8
243.10338	1.2
243.21082	0.7
244.06909	1.4
244.99677	0.6
253.04892	1.2
253.17921	3.9
271.05991	94.9
271.09540	18.0
271.19046	84.6
271.24094	48.1
272.06326	6.2
272.09973	1.3
272.19354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85936	0.5
55.01874	1.2
55.05503	0.7
55.31887	0.5
58.81487	0.6
61.16159	0.5
65.03933	0.7
67.05490	1.5
69.07064	3.8
70.06590	45.5
71.04991	0.8
71.62447	0.8
75.97041	0.4
79.05495	1.3
81.07047	3.4
83.04974	1.2
83.08607	0.7
85.06525	0.8
86.09702	30.5
91.05487	2.6
93.07054	2.6
95.04966	1.9
95.08600	2.5
97.06519	1.6
101.44395	0.5
102.75871	0.5
105.07029	1.5
107.04948	1.5
107.08598	1.8
109.06512	1.7
109.10126	0.9
112.07639	0.9
116.07086	100.0
119.04910	2.1
119.08572	1.4
119.87620	0.5
121.02838	0.9
121.06497	4.9
121.10188	0.6
128.10716	18.7
131.08493	0.6
133.10120	1.2
134.89117	0.5
135.04341	0.7
137.02330	1.3
137.05983	2.2
137.09637	0.9
139.07564	1.1
141.06973	1.6
143.06970	0.5
145.10156	0.5
147.11702	2.6
149.02342	4.6
149.05956	0.6
149.13254	0.9
153.01772	1.2
153.06992	3.2
153.39679	0.5
155.08601	1.6
156.10208	2.6
157.08656	0.7
157.10007	0.6
165.06995	6.4
165.12854	0.6
168.05746	1.5
169.06479	1.6
171.11662	1.1
175.11159	1.1
179.07007	0.6
181.06541	1.3
182.07210	0.8
183.08022	4.5
189.12703	1.4
193.06566	1.6
193.12218	0.8
197.05977	1.4
199.11201	1.1
207.13797	0.7
211.07550	3.8
211.13351	0.8
212.08226	0.6
215.06978	4.4
217.12245	4.8
221.06006	1.3
225.05510	0.8
225.09302	0.6
235.13251	3.7
235.16853	0.7
239.06891	0.6
242.09439	0.6
243.06398	2.8
243.10237	0.9
253.14333	2.5
271.06018	19.1
271.09677	11.3
272.06430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.42633	0.7
55.05494	1.5
57.07069	1.2
67.01869	1.1
67.05491	2.1
68.99773	1.6
69.07049	2.7
70.94510	1.7
70.94847	1.2
76.24997	0.7
79.05480	1.4
81.07040	1.4
83.08603	1.4
91.05466	2.7
93.07036	1.1
94.06505	0.9
95.08608	1.6
96.08129	2.2
97.10133	0.8
105.07043	1.1
106.06543	1.8
108.08127	7.3
119.04929	3.1
119.08527	1.2
121.02892	1.9
122.09694	1.0
129.06979	0.9
134.06015	1.1
136.07587	1.1
141.07042	1.1
142.07727	1.2
144.08113	0.8
145.02895	1.4
147.11717	1.1
149.02393	1.0
151.03888	0.9
153.01814	8.4
159.09174	1.2
161.05997	1.1
168.08093	2.1
169.08830	2.3
171.02829	1.0
172.07555	1.8
174.09212	1.1
181.10117	1.2
182.09578	1.4
183.10411	5.5
185.10672	1.4
186.09116	1.5
186.11563	1.8
196.07628	4.5
197.08340	7.0
198.09195	1.6
198.12755	4.5
199.08647	5.9
199.12280	1.3
200.12962	0.8
208.11288	1.3
210.09137	1.2
211.09935	12.6
213.10237	11.4
214.11026	3.3
215.07045	3.7
215.15439	3.3
223.10777	0.8
226.12270	23.3
227.11786	14.8
228.12555	19.3
228.14813	0.9
241.09785	2.3
242.10411	1.9
243.06516	1.6
243.14919	17.9
253.13423	4.0
254.11736	1.2
255.11287	18.3
256.12076	22.5
256.14682	1.6
271.06015	100.0
271.14401	88.8
272.06351	3.7
272.14514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
52.03178	0.1
53.03944	0.3
55.01884	0.8
55.05508	0.8
56.96548	0.6
57.07058	0.3
65.03933	1.3
67.01839	0.2
67.05496	2.2
67.56628	0.1
68.99781	1.9
69.03422	0.4
69.07063	1.1
69.52411	1.3
71.04976	0.5
73.02911	0.2
77.03901	0.1
79.05482	1.5
81.03413	0.2
81.07048	3.0
83.04980	0.5
83.08613	0.6
85.02967	0.2
85.06534	0.3
91.04954	0.2
91.05475	2.8
93.07036	2.9
95.04959	2.6
95.08595	2.1
97.06512	0.8
97.10159	0.3
98.97569	0.6
99.04452	0.6
105.03381	0.2
105.04509	0.1
105.07021	2.4
106.06568	0.3
107.04959	0.9
107.08586	1.7
108.02084	3.0
109.06523	1.0
109.10121	1.2
111.04433	1.4
111.08137	0.2
115.05449	0.4
116.98592	0.7
117.06974	0.5
118.75550	0.1
119.01855	0.2
119.04932	3.6
119.08566	1.3
120.05727	0.2
121.02856	1.0
121.03977	0.3
121.06500	2.6
121.08855	0.3
121.10118	1.0
123.04433	1.4
123.08039	0.3
123.11705	0.9
124.07582	0.4
125.05967	0.3
127.07543	0.4
128.06163	0.3
128.20752	0.1
128.98602	0.2
129.07001	0.4
131.04900	0.3
131.08525	0.6
133.06442	0.2
133.10129	1.1
134.03600	0.5
134.05983	0.3
134.99637	0.5
135.08040	0.7
135.11670	0.6
136.01527	0.3
137.02319	0.5
137.05959	0.8
137.13252	0.2
139.07510	0.6
141.06961	0.9
142.07796	0.3
143.08545	0.5
145.06412	0.3
145.10135	1.0
147.03218	0.2
147.04385	3.8
147.06842	0.2
147.08023	0.4
147.11673	2.5
148.04907	0.2
148.07544	0.6
149.05977	0.4
149.13210	0.5
151.03888	100.0
152.04233	2.8
152.06194	0.5
153.01796	1.7
153.06953	2.3
154.02612	1.6
154.07684	0.2
155.08545	1.4
157.06488	0.5
157.10114	0.9
159.08023	0.3
159.11688	0.5
161.06027	0.3
161.13232	0.9
163.03915	0.2
163.14758	0.2
165.06992	5.5
165.12712	1.4
166.07314	0.3
168.05710	0.8
169.06422	1.1
171.02866	0.4
171.11638	0.8
172.05171	0.2
173.05945	0.4
173.09500	0.2
173.13254	0.4
175.11165	0.7
175.14801	0.3
177.00674	0.5
177.05521	0.3
181.06461	1.3
182.07217	0.5
183.08028	2.6
183.13730	0.3
185.05968	0.5
187.03859	0.2
187.14778	0.4
189.12762	0.9
191.02287	0.3
191.14343	0.2
193.06380	1.0
193.12216	0.9
194.07211	0.3
196.05190	0.5
197.05927	0.9
198.06703	0.2
199.07458	0.2
199.11266	0.9
200.04738	0.3
200.08276	0.4
201.05466	0.3
201.16409	0.3
206.58284	0.2
207.04469	0.3
207.13803	0.5
210.06683	0.5
211.07538	3.6
211.13220	0.2
212.08205	0.5
213.05470	1.3
215.07034	0.8
215.18040	0.4
217.12206	3.2
217.19537	0.2
219.01633	0.2
221.06001	1.0
223.02849	0.2
223.99178	0.2
224.03384	0.3
225.05531	0.4
225.09032	0.4
227.07004	0.3
228.04222	0.4
228.07808	0.4
229.05006	0.5
229.14279	0.2
229.19528	0.3
235.13260	3.5
239.07048	0.7
241.04912	0.6
241.08582	0.2
242.09305	0.3
243.06465	0.7
243.10152	0.4
244.99728	0.2
249.02554	0.3
253.05154	0.2
253.14252	1.5
256.07257	1.1
257.04471	0.7
271.06036	26.5
271.09634	40.9
271.24234	2.3
272.06537	2.6
272.10013	2.7
289.15463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15139	0.7
51.21445	0.7
55.01839	2.8
55.05482	3.0
56.96546	1.2
57.03436	4.8
57.07039	2.1
61.02914	0.7
65.03916	2.2
67.05500	3.5
68.99803	0.6
69.03404	1.7
69.07052	1.5
69.68578	0.7
69.73282	2.3
69.73717	2.6
70.06557	2.9
71.04964	2.4
71.08597	0.8
72.08150	6.2
73.02915	34.0
75.04477	4.7
79.05471	1.6
81.03402	1.5
81.07050	3.5
83.04964	1.7
83.08606	1.4
84.96019	0.9
85.02859	2.7
85.06556	1.4
86.09690	0.8
88.10384	0.7
91.03934	2.1
91.05488	4.3
93.07032	2.0
95.04974	4.4
95.08570	2.7
97.02847	0.8
97.06503	1.2
98.97534	1.9
103.05482	1.0
105.06986	1.5
107.04924	2.6
107.08602	1.6
108.02116	0.8
109.02876	1.3
109.06496	1.5
109.10139	1.9
110.03674	5.2
111.04456	5.9
116.07097	2.3
116.07866	0.7
116.59954	0.7
116.98602	1.9
119.04934	3.8
121.02863	1.2
121.06486	2.1
122.03608	1.1
123.04397	1.6
123.11718	0.9
125.05988	41.8
125.09654	1.1
127.03911	0.8
128.07074	1.7
131.04951	1.2
131.08537	1.0
134.99680	2.0
135.04453	0.8
137.05998	7.4
137.09618	1.5
141.05467	3.3
141.06978	0.9
145.10149	0.8
147.04379	1.5
147.06497	3.8
149.05959	3.2
149.13191	0.7
151.03900	100.0
151.04956	5.2
151.07458	5.7
152.04347	0.9
153.01872	1.1
153.06973	0.8
155.08534	1.0
155.10596	1.1
161.09550	0.9
161.13301	0.8
163.07594	3.7
165.05687	0.8
165.07045	2.5
167.07063	1.6
169.06468	1.4
177.05548	0.7
179.07027	22.0
181.06497	1.5
183.08070	2.6
190.71030	1.0
193.12048	0.9
197.06212	1.6
197.08084	22.2
197.87105	0.8
201.05495	0.9
211.07549	2.8
215.07170	1.6
221.05864	1.1
225.05597	1.5
225.07458	3.9
235.13370	1.0
251.06647	0.8
253.10727	3.5
271.06073	23.6
271.11877	31.2
271.22839	0.9
272.10468	1.3
276.39102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
50.10768	0.1
53.03946	0.2
55.01866	0.3
55.05508	0.3
55.14836	0.1
56.96556	0.2
57.07064	0.2
63.02356	0.2
65.03935	1.3
67.05500	1.1
68.99786	1.4
69.03416	0.2
69.07060	0.4
70.79557	0.4
72.75917	0.1
77.09988	0.1
79.05477	0.3
81.07045	0.6
83.04974	0.2
83.08627	0.2
87.51924	0.1
91.05471	1.5
93.07037	0.6
95.04968	1.3
95.08598	0.5
98.97586	0.2
99.04433	0.2
105.03379	0.3
105.07018	0.3
107.04964	0.4
107.08567	0.4
108.02090	2.9
109.06478	0.3
109.10159	0.4
111.04427	1.4
115.05461	0.2
119.04946	2.5
119.08566	0.3
121.02855	0.6
121.03977	0.4
121.06512	0.4
121.10159	0.2
123.04420	1.1
131.04912	0.2
134.06013	0.2
135.08067	0.2
136.01558	0.3
137.02327	0.2
137.05939	0.2
139.07552	0.2
141.06992	0.3
145.10117	0.2
145.98903	0.1
147.04404	3.8
147.11687	0.3
148.07523	0.2
151.03897	100.0
152.04277	1.3
153.01805	0.5
153.06949	0.8
154.02603	1.8
155.08569	0.4
157.06470	0.2
157.10135	0.2
159.11662	0.3
161.13313	0.2
165.07010	1.6
165.12846	0.3
168.05676	0.3
169.06389	0.2
177.05530	0.3
181.06500	0.4
182.07262	0.2
183.08049	0.8
193.06418	0.3
197.05931	0.3
210.06845	0.3
211.07555	1.1
212.08238	0.2
213.05424	0.3
215.07112	0.1
217.12131	0.3
221.05963	0.2
225.09116	0.2
228.04164	0.4
229.04968	0.2
233.74913	0.2
235.13287	0.5
239.07056	0.3
240.00089	0.1
241.04930	0.3
243.06497	0.3
253.08485	0.3
253.14497	0.2
256.07205	0.8
257.04498	0.2
271.06082	9.5
271.09647	40.2
271.24258	0.8
272.06552	0.7
272.10031	0.9
278.52692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	Vignafuran
Peak:m/z	Relative Intensity
55.01861	0.7
55.05498	1.1
55.31563	0.3
67.05502	1.6
68.99790	0.3
69.07067	2.0
79.05502	1.6
79.55883	0.3
81.07053	4.7
83.08611	0.9
85.06537	0.4
91.05465	2.2
93.07042	2.6
95.04935	0.6
95.08600	4.3
96.36524	0.3
97.06509	0.7
97.10178	0.4
98.21493	0.7
98.97564	0.9
105.07020	2.7
107.04935	1.0
107.08595	2.3
109.06502	0.4
109.10168	3.0
111.04479	0.3
111.08125	0.2
115.05418	0.3
116.98615	0.7
117.07018	0.4
119.04918	1.3
119.08565	2.4
121.02840	1.1
121.06517	0.4
121.10136	2.2
123.04415	0.7
123.11708	1.3
125.09605	0.5
129.07056	0.3
131.08537	1.3
133.10107	2.2
134.03619	1.6
135.04449	0.4
135.11723	1.5
137.02328	1.1
137.05943	0.3
137.13193	0.4
141.06943	0.4
145.06470	0.4
145.10141	1.8
147.04399	4.8
147.11690	2.1
149.02333	0.5
149.05963	1.0
149.13237	1.0
153.01813	1.8
153.06950	1.0
155.08502	0.9
157.06538	0.4
158.99667	0.3
159.08105	0.4
159.11681	1.8
160.05109	0.4
161.05989	0.5
161.13274	1.6
163.14799	0.8
164.78638	0.3
165.07034	2.4
168.05730	0.5
169.06500	0.7
173.01244	0.3
173.05972	1.3
173.13277	1.2
175.14865	1.3
177.00691	0.3
177.16368	0.4
181.06485	0.8
182.07249	0.3
183.08008	1.6
185.05942	1.2
186.06743	2.6
187.07552	1.0
187.14792	0.9
189.16354	0.8
191.02261	0.3
191.84396	0.3
193.06396	0.5
197.05962	1.1
199.07469	1.7
200.08347	1.0
201.16383	1.3
210.06793	0.5
211.07526	1.8
213.05486	0.8
215.06976	0.9
215.17976	1.4
217.01669	0.3
221.05864	0.4
225.05449	0.5
227.07002	0.8
228.07809	12.8
229.08553	0.9
229.19460	0.4
239.07097	2.6
242.05734	0.3
243.06570	0.5
243.10359	0.4
244.99693	0.3
255.06511	12.2
256.07281	13.0
271.06055	31.8
271.09628	100.0
271.24191	11.4
272.06552	1.0
272.09973	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
55.05505	1.4
55.49279	0.7
56.96556	1.2
57.03421	1.7
65.03947	1.0
67.05477	2.6
69.03420	2.2
69.07045	2.5
69.34856	7.3
69.35268	1.1
70.06583	1.5
71.04987	2.0
73.02890	1.7
79.05477	2.4
81.03427	1.4
81.07047	4.4
83.04976	1.7
85.02911	2.0
85.06556	1.2
89.03876	1.1
91.05476	10.5
93.07037	2.6
95.04934	4.8
95.08587	2.9
97.02875	1.9
97.10146	1.4
98.97588	1.6
99.08115	0.8
103.05451	0.9
105.07034	3.8
106.14411	0.8
107.04955	4.6
107.08588	1.8
109.02844	0.9
109.06530	1.7
109.10129	2.4
111.04454	1.0
112.07546	1.0
115.05457	2.4
116.10734	0.9
116.98594	1.5
117.03349	1.0
119.04923	9.3
119.08575	3.2
121.06492	3.2
121.10133	1.5
123.04388	1.7
123.08067	1.5
123.11668	1.2
125.05965	1.0
128.06169	1.5
129.06953	2.2
133.06512	1.1
133.10103	1.5
134.03595	1.9
134.99654	1.0
135.04358	1.9
137.02261	0.9
137.05991	10.1
137.09508	1.0
140.06178	1.0
141.06989	7.1
145.06450	1.6
145.10194	1.1
147.04457	1.5
147.07982	1.3
147.11620	1.9
149.05943	1.9
150.06631	1.3
151.11195	1.0
151.41652	1.0
152.06226	4.9
153.01831	1.5
153.06989	25.0
154.07726	3.2
155.08563	13.5
157.06483	3.2
159.11763	1.1
161.09653	1.2
165.06992	61.6
166.07472	2.8
167.07051	1.4
167.08627	1.0
168.05692	9.8
169.06474	5.4
170.07155	1.0
173.13303	1.1
175.11200	1.0
177.00740	1.2
179.08466	1.1
181.06459	13.0
182.03548	1.5
182.07323	6.1
183.08043	31.9
183.09679	1.7
185.06006	4.8
187.07547	1.2
193.06377	10.0
194.07169	2.3
195.07996	1.4
196.05197	6.5
197.06024	5.2
197.09598	1.7
198.06706	2.4
198.14890	1.9
199.07442	2.0
200.08257	4.6
207.04446	3.7
209.05902	2.1
210.06734	4.1
211.07532	33.8
212.08261	5.2
213.05318	1.2
213.09074	1.3
215.06992	1.6
217.12196	1.3
221.05922	11.5
225.05583	1.1
225.09111	2.4
226.14371	2.4
227.07021	1.4
228.07793	3.2
235.13254	1.0
235.16917	1.4
237.02895	1.1
239.07027	8.4
242.09352	4.8
243.06409	1.7
243.10197	3.2
251.08531	3.1
253.05017	0.8
253.08614	1.7
254.05588	1.0
271.06046	31.5
271.09631	100.0
272.06866	1.1
272.10016	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	5.9
55.05505	1.4
55.49279	0.7
56.96556	1.2
57.03421	1.7
65.03947	1.0
67.05477	2.6
69.03420	2.2
69.07045	2.5
69.34856	7.3
69.35268	1.1
70.06583	1.5
71.04987	2.0
73.02890	1.7
79.05477	2.4
81.03427	1.4
81.07047	4.4
83.04976	1.7
85.02911	2.0
85.06556	1.2
89.03876	1.1
91.05476	10.5
93.07037	2.6
95.04934	4.8
95.08587	2.9
97.02875	1.9
97.10146	1.4
98.97588	1.6
99.08115	0.8
103.05451	0.9
105.07034	3.8
106.14411	0.8
107.04955	4.6
107.08588	1.8
109.02844	0.9
109.06530	1.7
109.10129	2.4
111.04454	1.0
112.07546	1.0
115.05457	2.4
116.10734	0.9
116.98594	1.5
117.03349	1.0
119.04923	9.3
119.08575	3.2
121.06492	3.2
121.10133	1.5
123.04388	1.7
123.08067	1.5
123.11668	1.2
125.05965	1.0
128.06169	1.5
129.06953	2.2
133.06512	1.1
133.10103	1.5
134.03595	1.9
134.99654	1.0
135.04358	1.9
137.02261	0.9
137.05991	10.1
137.09508	1.0
140.06178	1.0
141.06989	7.1
145.06450	1.6
145.10194	1.1
147.04457	1.5
147.07982	1.3
147.11620	1.9
149.05943	1.9
150.06631	1.3
151.11195	1.0
151.41652	1.0
152.06226	4.9
153.01831	1.5
153.06989	25.0
154.07726	3.2
155.08563	13.5
157.06483	3.2
159.11763	1.1
161.09653	1.2
165.06992	61.6
166.07472	2.8
167.07051	1.4
167.08627	1.0
168.05692	9.8
169.06474	5.4
170.07155	1.0
173.13303	1.1
175.11200	1.0
177.00740	1.2
179.08466	1.1
181.06459	13.0
182.03548	1.5
182.07323	6.1
183.08043	31.9
183.09679	1.7
185.06006	4.8
187.07547	1.2
193.06377	10.0
194.07169	2.3
195.07996	1.4
196.05197	6.5
197.06024	5.2
197.09598	1.7
198.06706	2.4
198.14890	1.9
199.07442	2.0
200.08257	4.6
207.04446	3.7
209.05902	2.1
210.06734	4.1
211.07532	33.8
212.08261	5.2
213.05318	1.2
213.09074	1.3
215.06992	1.6
217.12196	1.3
221.05922	11.5
225.05583	1.1
225.09111	2.4
226.14371	2.4
227.07021	1.4
228.07793	3.2
235.13254	1.0
235.16917	1.4
237.02895	1.1
239.07027	8.4
242.09352	4.8
243.06409	1.7
243.10197	3.2
251.08531	3.1
253.05017	0.8
253.08614	1.7
254.05588	1.0
271.06046	31.5
271.09631	100.0
272.06866	1.1
272.10016	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	Galangin
Peak:m/z	Relative Intensity
53.03952	0.4
55.01864	0.7
55.05510	1.3
56.96570	0.3
57.07061	0.4
65.69791	0.2
67.01856	0.5
67.05507	1.5
68.99776	0.8
69.03452	0.3
69.07063	1.7
69.41934	2.5
71.04977	0.3
76.92953	0.2
79.05482	1.3
80.76677	0.2
81.03419	0.5
81.07050	3.5
83.04948	0.3
83.08613	0.9
89.03908	0.6
91.05479	2.8
93.07042	2.1
95.04962	0.6
95.08599	3.6
97.10165	0.3
98.97559	0.7
105.03383	0.6
105.07018	2.2
107.04927	0.9
107.08591	2.3
109.02892	0.3
109.10147	2.4
115.05459	0.5
116.98629	0.4
117.07015	0.6
117.40243	0.2
119.04922	2.4
119.08578	2.1
121.02842	0.8
121.06493	0.5
121.10126	2.4
123.04322	0.3
123.11681	1.0
129.06995	0.5
131.08534	1.3
133.06467	0.3
133.10078	1.8
134.99623	0.3
135.04393	0.3
135.11664	1.6
137.01344	0.5
137.02333	5.9
137.05956	1.2
137.13255	0.4
141.06969	1.9
145.02840	0.8
145.10138	1.5
147.04503	0.4
147.11685	1.6
149.02296	0.8
149.05943	0.4
149.12158	0.2
149.13210	1.4
152.06198	0.7
153.01813	4.1
153.06923	1.4
155.08548	0.9
157.06404	0.3
159.04378	0.3
159.08000	0.3
159.11684	1.4
161.02325	0.7
161.13239	1.6
163.03889	0.5
163.14828	0.7
165.06987	3.5
168.05736	0.6
169.06470	2.3
171.02899	0.4
173.13269	1.3
175.14864	1.5
177.16371	0.4
181.06483	1.7
182.07321	0.4
183.08070	1.6
185.05901	0.4
187.07509	0.7
187.14830	1.2
189.16376	1.0
193.06459	0.5
196.05162	0.5
197.05962	4.2
197.09502	0.3
199.07448	0.4
200.04631	0.3
201.05464	0.9
201.16353	1.3
210.06757	0.4
211.07516	2.1
212.08243	0.3
215.07014	6.0
215.17947	1.6
221.05919	0.5
225.05452	6.0
228.07854	0.5
229.19594	0.3
235.13274	0.2
239.07042	0.7
243.06628	1.5
243.10255	0.3
253.04947	3.5
262.55975	0.3
271.05997	100.0
271.09436	7.8
271.24179	11.0
272.06284	1.0
291.03558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.42398	0.1
53.57303	0.1
55.05505	0.5
56.59644	0.1
57.03428	0.3
58.87202	0.2
64.57776	0.2
65.03909	0.2
67.01863	1.3
67.05477	0.5
68.99783	0.8
69.07051	0.6
70.11310	0.7
75.73535	0.1
76.05961	0.2
79.05466	0.6
81.07051	1.2
83.08601	0.3
91.05475	2.0
93.07054	0.4
95.08592	1.4
98.20773	0.1
98.97581	0.2
103.49963	0.2
105.07007	0.3
107.08569	0.2
109.10170	0.3
119.04932	3.5
119.08560	0.7
121.02847	1.2
129.01814	0.3
131.84447	0.1
133.10155	0.3
135.05745	0.2
137.13217	0.2
141.06943	0.3
145.02855	1.2
149.02299	0.5
153.01808	9.5
153.06918	0.2
161.13245	0.3
163.03850	0.9
169.06456	0.4
171.02832	1.2
173.13226	0.2
179.14304	0.2
181.06432	0.2
183.07922	0.2
187.03874	0.3
197.05928	0.4
215.07033	0.8
225.05449	0.4
229.04933	0.4
242.57741	0.2
243.06494	1.1
247.06023	0.3
253.04880	0.5
271.05981	100.0
271.18906	1.2
271.24042	0.4
272.06265	2.1
284.19565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0589
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.12120	0.2
52.56790	0.1
58.94446	0.2
67.01854	1.5
68.99784	1.0
69.51107	1.6
82.09092	0.2
91.05471	1.0
119.04092	0.3
119.04935	5.1
121.02861	1.8
129.01842	0.3
136.60623	0.2
145.02838	1.5
153.01823	10.7
163.03938	1.2
169.06441	0.3
171.02879	1.6
187.03903	0.4
197.06004	0.4
203.06981	0.3
204.10175	0.2
215.07065	0.2
225.03508	0.2
225.05315	0.8
229.04893	0.6
243.06593	0.5
247.05963	0.2
271.05991	100.0
272.06381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.03925	0.3
55.01856	1.1
55.05505	3.0
56.96551	0.3
57.03434	1.6
57.07061	0.6
65.03951	0.3
67.01852	1.2
67.05497	5.1
68.99772	1.2
69.03412	0.5
69.07059	3.1
70.84016	0.5
70.84371	0.5
71.04967	0.8
74.63330	0.3
76.90619	0.2
78.49645	0.3
78.69778	0.3
79.05485	2.6
81.03400	0.4
81.07047	9.0
83.04979	0.4
83.08600	1.7
85.06535	0.7
91.05464	3.7
93.07029	3.1
93.27872	0.3
95.04934	0.7
95.08598	8.4
97.06518	1.9
97.10139	1.0
98.97549	1.3
99.08080	0.3
105.07018	3.2
107.04914	1.2
107.08077	0.2
107.08592	2.4
109.06468	0.6
109.10139	2.4
111.08090	0.4
116.98593	0.9
117.05485	0.2
117.07002	0.8
119.04932	4.3
119.07896	0.3
119.08572	2.9
120.33463	0.2
120.79665	0.2
121.02861	2.0
121.06458	0.6
121.10126	2.2
123.04404	0.8
123.08044	0.3
123.11696	0.9
125.05949	0.5
131.04897	0.4
131.08525	1.1
133.02768	0.3
133.10115	2.3
134.03563	1.6
134.99626	0.6
135.04352	0.3
135.11679	1.7
137.02284	0.8
137.05972	0.8
137.13272	0.7
141.06963	1.8
143.07021	0.8
144.05637	0.3
145.02800	1.1
145.06496	0.8
145.10083	1.2
147.04399	3.4
147.11655	1.6
149.02301	1.5
149.05956	0.6
149.13208	1.0
151.03827	0.4
151.11113	0.3
152.06250	0.5
153.01807	7.5
153.06958	1.5
155.08548	1.0
158.99635	0.4
159.08000	0.4
159.11638	2.0
161.05917	0.6
161.13226	3.4
163.03906	0.9
163.14801	0.7
165.06996	3.8
168.05682	0.7
169.06479	1.5
171.02945	1.2
173.05974	1.0
173.13252	1.0
175.14799	1.1
177.00688	0.5
177.16371	0.3
179.14296	0.6
181.06483	1.0
182.07269	0.5
183.08028	2.3
185.05893	1.0
186.06731	1.5
187.07544	1.5
187.14786	0.8
189.00716	0.3
189.16335	0.6
193.06308	0.6
196.05135	0.5
197.04193	0.4
197.05948	2.6
199.07533	1.1
200.04817	0.4
200.08276	0.9
201.16365	0.9
210.06731	0.7
211.07545	2.9
212.08188	0.5
213.05434	0.5
214.03564	0.3
215.07004	13.3
215.17896	1.1
219.09605	0.3
221.05962	0.6
225.05452	1.1
227.06996	0.6
228.07819	6.9
228.09976	0.3
229.04871	0.3
239.07005	1.6
242.05661	0.6
242.09425	0.3
243.06471	4.9
243.10107	0.5
253.04883	0.5
255.03975	0.5
255.06494	6.3
256.04706	0.5
256.07269	6.7
271.05969	100.0
271.09567	59.1
271.19034	4.6
271.24164	7.6
272.06339	1.0
272.09860	0.6
286.02875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98445	0.7
53.03939	0.9
55.01866	2.4
55.05508	6.6
56.96560	11.3
57.03429	6.1
57.07063	2.2
59.04997	1.0
61.02918	9.7
67.05514	1.3
69.03420	19.2
69.07051	0.9
69.97314	2.6
69.97728	1.5
70.06574	3.0
71.04982	3.4
72.17973	0.7
73.02914	8.3
73.06550	37.7
81.03416	7.4
81.07034	1.1
83.01363	0.9
83.04966	1.6
84.04505	1.2
84.08169	1.3
85.02899	100.0
85.06509	0.9
86.03238	1.3
87.04460	3.2
89.06015	1.3
91.03944	6.5
91.05479	1.1
91.07572	0.9
93.07039	0.8
94.06559	0.8
95.04964	1.0
97.02883	26.7
98.06050	1.1
98.20766	0.8
98.97572	20.2
99.04469	4.5
103.03941	1.1
105.07063	0.9
109.02878	9.2
110.06044	0.9
110.97625	1.0
111.04437	0.8
115.03938	2.6
116.98614	21.7
119.01875	2.1
119.04957	2.4
123.04444	0.8
124.07611	0.7
126.06454	0.8
126.88555	0.7
127.03907	28.8
128.02309	2.0
128.98615	1.7
133.08524	0.8
134.99651	22.4
135.00639	1.2
137.02870	1.0
137.05988	2.8
138.05498	7.2
140.00279	0.8
145.01750	1.8
145.04948	42.6
146.99655	2.7
147.04361	1.7
149.05943	0.9
153.00703	4.2
153.01820	1.5
154.03842	1.4
155.04628	3.5
155.08305	1.1
157.04596	0.7
158.01239	1.6
158.99664	2.1
161.01161	1.5
161.02946	1.7
161.04692	0.9
162.99077	1.2
163.02765	2.0
163.04543	1.5
163.05995	15.4
164.05162	2.5
169.08504	0.7
170.99762	1.2
173.02966	0.8
175.07939	1.0
177.00673	4.7
177.05960	1.2
178.07802	1.3
179.07065	1.4
179.08578	1.9
182.03284	0.6
189.00729	1.5
189.04268	1.3
189.05971	1.4
190.06857	0.9
191.03914	1.4
196.04967	0.7
198.04720	2.7
203.07751	0.8
205.00266	1.1
205.03690	2.4
205.05382	1.2
207.08069	1.8
211.10780	3.0
212.06195	0.9
217.03589	1.0
217.10742	1.4
219.01804	2.6
219.05275	1.0
223.01207	1.9
224.10713	4.0
226.06010	3.0
227.06738	3.4
227.73116	0.8
235.20071	0.7
237.02763	3.4
247.01337	1.1
247.06636	1.7
253.12897	2.9
270.09351	1.4
270.15762	3.5
270.27750	1.1
271.05966	25.2
271.09354	3.0
271.12512	0.9
289.07098	12.3
293.10934	1.7
294.07632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01841	2.1
55.05498	2.2
56.96545	4.9
57.03427	5.2
57.07059	3.4
58.83221	1.8
59.04989	5.9
61.02908	5.3
69.03419	10.3
69.07041	5.5
69.94447	9.7
70.06554	2.1
71.04983	2.4
73.02899	3.1
73.06549	100.0
75.04475	1.8
77.00871	1.7
80.05857	1.6
81.03401	3.9
81.07062	2.2
83.06097	1.7
85.02411	2.6
85.02895	27.7
85.06503	1.6
87.04450	7.5
91.05487	3.4
91.07607	12.2
95.01989	1.5
95.04906	2.0
95.08596	2.5
97.02860	9.2
98.20856	2.3
98.97575	5.4
99.04387	2.1
103.03936	4.7
105.07036	3.6
107.04970	3.1
109.02858	3.2
109.06474	1.9
116.98587	4.1
119.01857	2.2
120.08107	3.6
122.02369	2.2
123.04446	2.4
125.49667	1.6
127.03883	5.6
128.02275	3.9
128.03336	1.7
131.03331	2.6
132.08102	3.2
134.09668	2.1
134.99631	2.2
136.07613	1.9
137.05969	2.6
145.04942	4.1
146.99582	1.8
153.01805	2.3
158.99750	2.4
161.02940	2.4
161.04509	3.8
162.05414	5.0
163.08176	4.5
165.05492	3.0
177.00710	2.8
182.05663	5.3
197.08112	2.4
206.11821	2.6
217.03383	11.7
224.10867	1.9
224.12721	8.3
235.04510	4.0
247.06583	2.5
270.13324	12.3
270.27777	3.3
271.05994	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44463	1.3
53.03922	5.0
53.60552	1.3
55.01849	4.8
55.05510	22.1
56.96562	10.0
57.03434	32.4
57.07077	7.5
58.00936	1.5
65.03910	2.3
67.05503	75.7
67.67327	1.4
69.03399	4.3
69.07065	35.5
71.01351	1.9
71.04989	7.6
71.08636	2.1
71.63142	2.1
72.08138	1.3
73.02904	2.8
79.05070	2.8
79.05492	46.7
81.03429	2.1
81.07054	100.0
82.07371	1.9
83.04967	10.0
83.08614	18.1
85.02876	1.5
85.06545	10.6
91.05475	23.5
93.07040	73.4
95.04958	10.6
95.08046	2.3
95.08601	35.4
97.06522	17.6
97.10149	3.6
98.97544	5.4
99.04419	3.3
99.08087	4.4
105.07014	13.7
107.04943	3.2
107.08588	42.1
109.06566	7.1
109.10162	10.4
111.04400	2.3
111.08069	13.2
111.11691	2.0
113.06007	1.7
113.09618	2.1
116.98621	7.3
117.07017	11.8
119.01839	1.3
119.08577	9.3
121.06474	2.9
121.10136	28.4
123.11681	6.2
125.09618	2.9
127.03862	2.1
127.07523	4.7
131.00206	1.6
131.08569	14.8
133.10139	13.3
134.99619	5.2
135.08015	3.9
135.11662	12.6
137.05942	1.9
139.11145	2.5
143.08519	3.7
145.10132	7.1
147.04376	4.7
147.11641	5.3
149.05911	1.6
149.09578	2.8
149.13252	52.2
150.13518	1.6
151.11082	1.6
157.10100	5.7
158.99704	2.4
159.11696	29.5
161.13182	1.8
163.11139	2.0
171.08043	1.6
171.11708	2.9
173.01259	2.6
173.09540	1.6
173.13182	3.3
175.14772	2.7
177.00713	7.0
177.12723	14.4
185.13235	2.8
187.11151	1.7
187.14833	2.1
191.02226	5.1
195.10072	1.8
195.13785	16.5
197.06000	1.8
199.14819	2.3
201.16333	1.7
202.98560	2.1
205.01645	5.5
205.12100	1.9
211.10826	1.7
213.16423	3.5
215.17899	2.3
223.02780	40.0
223.16838	1.7
226.06142	1.8
227.18030	1.7
241.03751	11.4
244.99586	4.6
246.04333	4.8
249.08737	1.8
251.12737	2.0
251.16423	2.0
251.20029	4.1
253.04942	17.2
254.05695	4.0
264.05203	1.7
269.04474	5.3
269.08087	41.8
269.11276	3.1
269.17426	59.2
269.22537	16.8
270.08295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.01893	3.5
55.05501	9.2
56.96558	3.1
57.03432	5.8
57.07060	5.0
67.05505	31.3
69.03423	9.2
69.07065	11.1
69.45522	19.7
71.04981	12.9
73.02914	5.7
79.05484	21.5
81.03397	2.7
81.07051	100.0
83.04971	8.9
83.08604	3.8
85.02909	3.8
85.06536	89.8
90.01606	1.9
91.05468	12.6
93.07034	23.4
95.04972	32.3
95.08608	15.4
97.02898	3.8
97.06519	19.8
97.10222	2.9
98.97570	8.5
99.04446	8.6
105.07030	27.8
107.04955	7.3
107.08575	22.3
109.06505	60.9
109.10160	7.5
111.04422	3.4
111.08070	8.8
112.40726	2.0
113.05992	5.3
113.09733	2.1
116.98621	6.5
117.07012	6.8
119.08575	14.3
121.06500	8.9
121.10153	13.8
123.04443	9.0
123.08045	4.9
123.11697	4.9
125.05970	6.7
127.07549	66.1
128.98601	2.2
129.06946	3.9
131.08548	11.4
133.10098	7.9
135.08043	4.7
135.11687	7.7
137.05960	23.6
137.09521	3.2
139.07503	3.8
141.05505	4.7
143.07060	5.8
143.08530	5.2
145.06421	4.0
145.10118	35.3
146.99582	2.5
147.04330	3.6
147.07977	2.9
147.11688	5.6
149.09642	6.6
149.13222	4.3
151.07536	6.5
153.05469	6.2
154.07817	2.3
155.07033	9.4
157.10123	5.1
158.07324	2.9
158.99651	2.7
159.06561	3.3
159.11674	17.1
161.09688	2.7
161.13235	3.8
163.07457	2.6
163.11180	14.5
169.10104	5.1
171.11714	2.6
173.08182	4.0
173.09579	16.1
173.13148	3.2
177.00737	3.0
177.12711	3.5
185.13333	2.6
187.11154	38.0
187.14850	4.0
189.12778	3.5
191.02231	2.8
191.10657	28.7
191.14319	4.0
197.05934	2.5
205.12233	37.3
209.11711	23.7
213.09097	3.7
213.16368	2.3
215.10684	21.4
215.14224	2.6
215.17874	2.9
219.01784	2.3
221.05501	2.1
223.13246	9.9
226.06271	2.0
233.11708	35.7
233.15280	3.7
237.02753	2.6
241.05150	2.2
248.08121	2.2
249.07066	5.2
251.12775	56.5
251.15530	2.7
251.20094	5.0
253.04959	11.4
254.05836	3.0
258.07605	9.0
269.04507	8.3
269.08090	41.6
269.11472	3.7
269.13885	28.9
269.22672	15.2
270.08878	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	G3
Peak:m/z	Relative Intensity
53.03938	1.6
55.01856	3.1
55.05508	5.2
57.03424	3.7
57.07068	4.5
67.05499	10.4
69.03432	7.5
69.07058	9.4
69.41383	7.5
69.41808	5.8
70.06594	2.2
71.04993	10.9
79.05499	8.3
81.03417	3.0
81.07060	19.5
83.04971	4.9
83.08618	1.8
84.08130	2.2
85.02911	2.6
85.06540	15.6
86.09695	3.4
91.05483	8.2
93.07042	12.0
95.04950	14.3
95.08609	9.1
97.02885	3.3
97.06528	8.9
99.04470	3.3
103.05473	1.8
105.03394	2.7
105.07028	12.1
107.04939	3.2
107.08594	6.0
109.06512	16.0
109.10159	4.9
111.04460	3.6
111.08070	2.2
111.21550	1.3
113.05995	3.3
114.05568	1.6
117.07011	4.0
118.06486	2.1
119.04938	1.4
119.07317	2.0
119.08569	9.5
121.06511	6.8
121.10128	8.4
123.04427	2.9
123.08063	4.2
123.11754	1.7
125.05988	2.4
125.09628	5.0
127.07523	9.3
129.07008	2.0
131.04948	1.7
131.08557	6.8
133.06474	4.3
133.10150	9.0
134.99715	1.6
135.04430	1.8
135.08093	4.4
135.11705	3.6
136.07445	1.7
137.05948	7.7
137.09619	1.7
139.07541	1.6
141.05510	1.9
143.08578	5.3
144.09334	1.7
145.06535	3.7
145.10117	12.5
147.08012	3.1
147.11670	1.6
149.06000	5.1
149.09601	2.9
149.13280	2.4
151.03926	2.1
151.07500	2.6
151.11153	3.0
153.05511	1.9
153.09181	1.9
155.06969	1.6
157.10081	2.9
159.08087	1.9
159.11697	14.7
161.09624	8.5
161.13304	1.9
163.11165	7.0
163.74646	1.6
165.09171	1.6
167.07109	2.2
169.10150	6.3
171.11450	1.5
172.08841	3.0
173.09624	4.3
173.13315	2.1
175.11101	1.7
176.23982	1.7
177.05522	7.8
177.12730	2.9
187.11185	19.5
189.09108	2.3
189.12715	3.4
191.10635	7.1
193.12280	1.9
195.06523	2.1
197.13144	1.6
203.10684	3.2
205.12215	12.1
209.11775	6.2
213.05449	8.9
215.10663	14.2
223.13251	4.4
233.11719	73.2
233.15433	4.6
241.04979	5.3
251.12784	100.0
252.13202	2.0
254.05817	1.7
261.55453	1.6
269.04434	8.3
269.08127	5.3
269.13873	19.2
269.24881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Lespedezol A1
Peak:m/z	Relative Intensity
53.03957	0.1
55.01848	0.2
55.05489	0.3
57.07050	0.2
67.05479	0.4
68.99763	0.5
69.07027	0.4
69.41837	0.1
70.00363	0.6
71.04968	0.1
73.02934	0.1
79.05481	0.8
81.07034	0.9
83.04946	0.1
85.06518	0.2
91.05463	0.7
93.07023	0.5
95.02651	0.1
95.04960	0.1
95.08572	0.5
97.02876	0.1
98.88759	0.1
98.97540	0.2
101.09675	0.1
103.05508	0.1
105.07013	0.3
107.04948	8.3
107.08560	0.5
109.10126	0.3
116.98520	0.2
119.04920	0.3
119.08530	0.3
121.06455	0.2
121.10117	0.3
122.47118	0.1
123.04426	0.7
128.06230	0.2
129.06958	0.1
131.04930	0.9
131.08522	0.2
132.05618	0.1
133.10086	0.3
135.04410	3.5
137.02312	0.2
137.09601	0.2
147.04396	11.5
147.11630	0.2
149.09572	0.1
149.13130	0.2
152.06160	0.2
153.06998	0.2
157.06477	0.2
159.04437	0.2
159.11723	0.3
160.05186	1.9
161.05937	0.2
161.13261	0.2
163.07500	0.3
165.07022	0.2
167.08530	0.2
169.06346	0.2
171.07954	0.2
177.06938	0.2
181.06425	0.4
182.07256	0.2
184.05127	0.2
185.05962	0.4
185.13254	0.1
188.26488	0.1
195.08018	0.3
197.05948	0.4
198.06718	0.3
199.07497	0.6
205.06326	0.3
205.12193	0.9
213.09050	0.5
213.16333	0.1
223.07501	0.6
226.06264	1.3
234.06555	0.2
237.05464	1.3
241.08455	0.3
249.49370	0.2
251.07018	0.4
252.07687	0.2
253.04936	53.1
254.05693	10.4
259.62354	0.2
269.08054	100.0
269.22626	0.6
270.08386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0807
Annotation	Formononetin
Peak:m/z	Relative Intensity
55.05496	1.0
56.96535	0.9
57.03428	1.0
57.07067	1.1
62.09521	0.3
67.05508	2.6
69.07057	2.4
69.77974	2.5
71.04985	0.6
79.05470	1.6
81.07049	3.5
83.04981	0.7
83.08566	0.8
85.06542	0.5
91.05470	1.1
92.29045	0.4
93.07040	2.9
95.04941	0.6
95.08602	2.3
97.06522	0.9
97.10147	0.4
98.20791	0.4
99.08094	0.4
105.07037	1.3
106.52348	0.4
107.04944	3.3
107.08575	1.8
109.10121	1.3
117.06974	0.5
118.04150	4.0
119.08537	0.9
121.10151	1.2
123.04399	0.5
123.08002	0.6
123.11703	0.8
129.06984	0.6
131.08519	0.7
133.02872	0.5
133.06505	0.7
133.10123	1.5
134.99625	0.4
135.04405	0.7
135.07968	0.5
135.11667	1.0
137.02327	1.4
145.10120	1.1
147.04445	2.4
149.13272	1.1
153.07002	0.4
154.02565	1.8
155.08504	0.6
156.05681	0.7
157.10104	0.6
159.11673	1.4
170.07185	0.6
174.56865	0.4
181.06442	1.1
182.07187	0.6
184.05168	0.4
185.09625	0.4
195.13821	0.5
197.05923	3.5
198.06761	1.6
211.10840	0.9
213.09102	6.9
213.16449	0.4
225.05429	1.4
226.06221	4.8
232.10500	0.4
237.05440	6.0
251.16420	0.7
251.20021	0.8
253.04947	14.6
253.07603	0.7
254.05711	9.6
269.08072	100.0
269.19370	0.9
269.22653	1.2
270.08472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	Lespedezol A1
Peak:m/z	Relative Intensity
53.03933	0.9
53.73758	0.4
54.32831	0.5
55.05514	2.9
55.27547	0.4
56.96548	0.6
57.03419	1.9
57.07063	1.2
58.35178	0.5
60.39910	0.5
67.05505	7.4
69.03425	1.0
69.07069	3.4
69.16141	0.5
69.57433	0.8
69.57840	3.1
71.04974	1.7
79.05481	4.1
81.07051	12.0
83.04986	1.0
83.08601	2.3
85.02878	0.9
85.06522	1.7
87.52641	0.5
91.05469	4.0
93.07031	7.3
95.04952	1.6
95.08600	5.0
97.06509	2.1
97.10141	0.9
98.97565	0.9
99.08077	0.9
104.99239	0.7
105.07009	2.0
106.13313	0.5
107.04948	7.5
107.08581	3.5
109.06506	1.1
109.10146	3.6
111.08077	1.5
111.11769	0.5
116.98628	0.6
117.06993	1.9
119.04943	0.6
119.08554	2.4
121.06496	0.6
121.10133	2.7
123.04404	0.8
123.11670	0.9
131.08546	2.1
133.10141	3.0
135.04387	3.6
135.07924	0.5
135.11694	1.9
137.05989	1.2
137.09589	0.7
143.08543	1.4
145.10132	2.2
147.04391	10.8
147.11687	0.8
149.13261	3.6
151.11084	0.7
157.10133	1.0
158.99608	0.7
159.11707	3.7
160.05257	1.3
161.13222	0.9
163.11136	0.7
173.09528	0.8
173.13284	1.4
175.14792	0.7
177.05450	0.8
177.12769	1.5
185.13271	0.6
191.10684	0.8
195.13728	1.1
197.05974	1.0
198.06689	0.6
199.07477	0.6
205.12006	0.7
209.11662	0.5
213.16428	0.7
215.17906	0.8
221.11447	0.5
223.07506	0.8
226.06252	1.6
233.18921	1.3
237.05463	1.0
251.12756	0.8
251.19951	1.8
253.04944	45.9
254.05717	9.8
258.07587	0.6
269.08072	100.0
269.17358	5.0
269.22617	4.3
270.08340	0.6
285.27304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.97983	1.2
53.03946	1.7
55.05514	8.1
57.03431	8.3
57.07079	1.6
59.04998	1.4
65.03930	1.4
67.05496	26.4
69.07063	11.7
69.31062	16.0
71.04994	3.4
71.08618	1.4
79.05495	12.4
81.03415	35.3
81.07055	59.6
83.04980	7.4
83.08630	12.0
85.06533	3.5
91.05482	18.7
93.07036	10.1
95.04969	10.0
95.08605	20.6
97.06525	4.4
98.98462	2.8
99.08106	2.5
105.06384	1.8
105.07037	23.2
107.04913	1.7
107.08597	8.0
109.06500	3.9
109.10128	2.2
111.08087	2.7
119.08565	18.5
121.06490	1.8
121.10146	10.7
123.08021	3.4
123.11708	14.7
127.07550	2.5
129.06995	5.1
131.08560	2.4
133.10120	5.2
135.11699	1.9
137.13213	1.6
147.08099	1.6
147.11685	43.7
149.09636	1.8
157.10152	2.4
165.12756	16.1
175.11189	3.0
193.12288	7.7
262.43433	1.3
267.15915	100.0
268.16318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01869	0.2
57.03426	0.5
69.03407	0.2
71.49802	0.2
73.02908	0.2
85.02882	0.4
94.04067	0.1
97.41905	0.1
103.77639	0.2
119.03532	0.5
120.65754	0.1
136.06175	100.0
137.04601	0.3
137.06648	0.7
268.10382	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	268.1042
Annotation	Vidarabine
Peak:m/z	Relative Intensity
53.03937	0.3
55.01863	0.7
56.05022	0.4
56.96557	2.0
57.03225	0.2
57.03439	1.9
60.04514	0.6
61.02909	0.8
69.03430	1.4
69.07061	0.4
70.03760	0.2
70.06567	0.3
71.01336	0.2
71.04395	0.5
71.04989	0.7
73.02914	1.9
80.05004	1.0
81.03404	0.8
82.06572	0.4
83.04972	0.6
84.04498	0.3
84.08132	0.5
84.96032	0.2
85.02905	2.6
85.06513	0.2
87.04448	0.5
88.04009	0.4
89.06026	0.4
94.04040	0.3
94.06550	0.6
97.02891	2.1
98.97574	1.8
99.04431	0.5
99.97865	0.2
100.97149	0.2
101.87543	0.2
102.96860	0.4
106.05036	1.4
107.04935	0.2
109.02863	0.6
110.97544	0.3
111.04412	0.3
112.07604	0.9
115.03938	0.2
116.98589	1.0
119.01894	0.9
119.03542	0.8
120.01170	0.2
122.05999	0.3
124.07565	0.4
127.03909	0.7
128.07054	0.9
128.98622	0.6
129.05466	0.5
131.00107	0.3
131.01852	0.2
133.04993	0.2
134.99599	0.5
136.06180	100.0
137.02910	0.3
137.04602	0.5
137.05695	0.3
137.06548	0.7
140.07062	6.4
142.08635	1.2
143.00208	0.3
145.03445	0.4
145.05009	0.4
146.99557	0.5
147.53157	0.2
149.01227	0.5
150.05537	0.7
151.05865	0.9
158.03412	0.2
158.06647	0.2
158.99579	0.3
160.01160	0.2
161.01218	0.5
163.02621	0.3
167.06985	0.2
171.04085	0.4
173.01314	0.3
173.02818	0.3
173.09196	0.5
177.00697	0.6
178.07292	0.3
180.04567	0.7
180.99944	0.2
185.03006	0.4
186.04570	0.5
186.54843	0.3
187.04771	0.3
188.96976	0.2
189.55765	0.3
193.03670	0.3
197.05576	0.7
200.09233	0.4
201.00688	0.8
202.04034	0.3
205.05339	0.2
218.08699	0.3
219.01767	0.6
222.12425	0.7
223.01196	0.4
223.05064	0.3
232.08138	0.3
237.02876	0.4
245.05116	0.5
250.07526	0.3
260.04263	0.3
263.00989	0.2
268.08002	0.5
268.10361	9.6
268.12961	12.6
268.58679	0.7
269.05478	0.7
269.11081	0.2
281.53946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	1.7
55.05259	0.7
55.05506	9.7
57.03435	4.0
57.07055	1.1
65.03921	0.9
67.05500	29.4
69.03405	1.2
69.06721	0.9
69.07063	12.0
69.37202	1.6
69.37611	5.7
71.04971	2.4
76.26686	0.6
77.03896	0.6
79.05056	1.1
79.05489	17.0
81.07050	75.2
82.07352	0.7
83.04972	5.7
83.08610	6.6
85.06535	4.1
91.05473	20.9
93.07040	11.1
95.04980	2.9
95.08599	21.4
97.06519	4.3
99.08074	2.7
101.06018	1.0
105.07023	27.3
107.04939	0.8
107.08577	6.5
109.06496	5.1
109.10143	1.6
111.08048	1.9
113.05990	0.7
115.07516	0.8
119.08566	18.5
121.09298	1.1
121.10123	12.6
123.08066	3.6
123.11698	17.8
127.07529	1.5
129.07040	0.9
131.08534	1.8
133.10123	2.8
137.13235	2.3
141.09042	1.3
145.10129	0.9
147.11674	43.0
157.10141	1.5
165.11365	1.2
165.12741	18.2
175.11186	1.1
183.13809	2.0
193.12233	1.2
225.11137	3.6
249.11121	2.1
267.06500	2.3
267.15894	100.0
268.16235	0.9
285.10260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	2.1
55.05505	10.1
56.96561	0.8
57.03434	5.7
57.07066	1.5
58.56944	0.4
59.99781	0.4
65.03929	1.3
67.05500	31.6
69.03425	2.0
69.07060	12.8
69.83971	2.2
71.04984	2.9
73.02928	0.7
79.05484	17.1
81.03422	2.5
81.07049	78.8
82.07390	0.4
83.04972	6.6
83.08614	6.5
85.02888	0.8
85.06538	5.4
87.04441	0.9
91.05473	24.2
92.05805	0.4
93.07036	11.4
94.35542	0.4
95.04955	3.7
95.08598	23.6
97.02921	0.5
97.06528	6.7
97.10179	1.0
98.20811	0.7
98.97584	0.7
98.98418	0.4
99.04477	0.5
99.08080	3.4
101.06010	0.9
105.07020	29.3
107.04920	1.1
107.08578	9.4
109.06502	5.3
109.10152	3.2
111.04423	0.6
111.08077	1.6
113.06015	0.9
115.07535	0.5
116.98612	0.8
117.06976	1.1
119.08572	22.7
121.06453	0.5
121.10133	14.7
123.04472	0.4
123.08070	4.0
123.11693	20.2
124.03949	1.6
125.09636	0.4
127.07529	1.9
129.07018	2.1
131.08560	1.8
133.06590	0.4
133.10112	4.7
135.11697	0.9
137.09602	0.8
137.13237	2.0
138.52982	0.4
141.09047	0.5
143.08490	0.5
145.10121	1.4
147.08098	0.9
147.11674	46.0
149.09596	1.0
149.13225	0.5
157.10109	2.4
159.08038	0.6
159.11678	0.8
160.47911	0.4
161.13280	0.9
165.06966	0.5
165.12738	18.2
169.10080	0.4
173.09706	0.4
175.11115	2.1
183.13800	1.7
185.03931	0.5
193.12236	1.9
203.14236	0.8
211.07422	0.4
224.08240	0.6
229.14319	1.1
231.13782	0.8
249.11237	1.1
249.14809	0.9
249.18521	1.0
259.12103	0.4
267.15884	100.0
268.16168	1.7
286.99860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.68689	1.0
53.03923	1.7
54.32844	1.0
55.01863	2.0
55.05503	10.4
56.96537	2.5
57.03433	6.1
57.07070	2.2
57.96322	1.1
63.84018	1.2
65.03922	1.4
67.05172	2.3
67.05502	31.3
69.03402	2.0
69.07066	15.9
70.79138	2.2
70.79526	2.6
71.04974	4.1
79.05487	17.1
81.03403	13.9
81.07052	76.6
83.04980	7.2
83.08617	9.1
84.61449	1.1
85.06520	4.1
91.05477	23.1
93.07047	13.2
95.04971	6.0
95.08038	2.1
95.08599	24.7
97.06492	7.2
97.10096	1.3
98.98447	1.6
99.08066	3.8
101.05988	1.6
104.48185	1.2
105.07026	31.2
107.04919	1.4
107.08076	1.0
107.08605	10.6
109.06475	5.5
109.10125	4.9
111.08070	1.7
113.05988	1.4
117.07013	1.4
119.08575	26.0
121.10139	16.2
123.08028	3.9
123.11691	17.0
127.07529	2.8
129.06987	3.0
131.08551	5.7
133.10129	6.9
137.13277	2.5
143.08495	1.8
145.10124	2.3
147.11678	44.9
149.09576	2.1
150.07549	1.2
157.10112	4.4
159.11650	1.6
165.12729	18.5
175.11118	5.8
175.14668	2.1
183.13815	1.8
185.13112	1.5
193.12219	3.2
203.14273	1.9
211.13220	1.5
249.15007	1.6
249.18414	2.8
267.06409	3.8
267.15884	100.0
268.16174	1.2
285.10013	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.2
55.01873	2.9
55.05500	2.9
56.63969	2.1
56.96543	4.7
57.03419	5.0
57.07058	7.0
58.33827	2.1
58.66960	2.4
61.02914	3.1
67.05489	7.8
69.03410	7.5
69.07064	100.0
71.04981	5.9
71.08627	3.9
71.61005	3.4
71.61430	3.3
73.02914	5.4
74.06078	3.5
79.05476	4.7
81.03394	3.2
81.07050	12.9
83.04979	4.4
83.40685	2.5
85.02894	17.0
85.06544	4.6
87.08101	86.0
91.05463	6.3
93.07009	5.8
95.04971	2.7
95.08582	8.4
97.02866	7.1
97.06531	3.0
98.97572	2.4
102.64095	2.5
103.03946	3.2
103.05441	2.4
105.07034	9.7
105.09138	46.3
107.04932	6.0
107.08581	2.7
109.10127	7.1
110.06026	3.9
111.08080	3.7
116.98620	5.0
119.08533	4.4
120.04442	5.2
121.06480	3.0
122.06031	3.2
127.03940	3.2
131.04903	3.3
133.06479	3.6
133.10197	2.6
134.99609	4.7
136.06133	7.7
137.05945	3.2
143.08557	4.4
145.10075	4.1
147.04349	3.3
147.11700	4.2
150.05426	5.4
153.05522	2.5
161.05927	3.1
161.09486	3.9
162.05472	4.1
177.05452	9.5
185.13257	8.3
203.14319	3.4
205.04973	3.0
207.06512	6.0
209.60631	3.4
231.06412	3.4
231.11356	3.4
231.13727	7.6
232.14185	2.8
249.07608	3.1
250.14906	4.2
267.10522	3.3
267.13275	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	267.1588
Annotation	Sardonialactone A
Peak:m/z	Relative Intensity
50.06232	0.7
53.03934	2.1
55.01868	3.7
55.05510	12.9
56.19337	0.9
56.96552	2.4
57.03437	5.0
57.07067	1.2
59.04961	0.8
65.03929	1.4
67.05501	31.3
69.03409	2.7
69.07065	16.7
69.97609	4.1
71.04983	3.9
73.02892	1.4
79.05489	24.4
79.05953	1.2
81.03431	1.7
81.07053	96.5
81.32593	0.7
82.07372	0.9
83.04977	6.7
83.08615	8.2
85.02884	1.4
85.06536	5.5
87.04456	1.3
88.03974	0.8
91.05476	23.7
93.06473	0.9
93.07040	15.0
95.04940	3.9
95.08601	28.4
97.06522	8.7
97.10189	0.9
98.97567	1.7
99.04420	1.7
99.08089	3.7
100.11244	3.1
101.06014	1.4
103.05424	0.8
105.07027	30.8
107.04956	3.0
107.08591	13.0
109.02869	1.3
109.06510	5.7
109.10149	6.8
110.97536	0.9
111.04415	1.0
111.08076	2.9
113.06002	0.9
115.07475	0.9
116.98614	1.9
117.06991	1.7
119.08575	24.0
120.08115	1.9
120.44595	0.8
121.10131	15.6
123.04450	1.1
123.08031	4.1
123.11702	22.0
125.09589	1.3
127.07548	1.6
128.98628	0.8
129.06976	2.0
131.08559	3.4
133.06450	1.2
133.10135	6.4
134.99643	0.9
135.04448	1.4
135.08054	1.3
135.11646	2.6
135.22424	0.8
137.09589	1.3
137.13231	2.0
141.09077	1.3
143.08524	1.4
145.10115	3.1
146.99634	2.2
147.07961	1.3
147.11678	45.4
149.09634	1.6
151.07524	1.2
151.11156	0.9
157.10098	3.2
159.11714	1.3
161.05951	1.1
161.13319	1.0
163.11107	1.0
165.12758	18.5
169.08636	0.8
171.07947	1.1
171.11636	1.7
173.13358	0.9
175.11188	2.1
177.00711	1.1
177.07111	0.8
178.06213	1.0
183.11729	1.2
183.13820	1.9
185.13318	1.9
185.16508	1.0
189.00676	3.6
189.12733	0.9
189.79536	0.8
193.08614	0.9
193.12227	2.8
197.13258	1.0
203.14337	1.3
203.17978	1.0
207.01732	1.2
224.08084	0.8
229.14151	1.2
231.13748	2.3
231.17488	1.3
232.14212	0.8
247.16646	0.9
249.02765	0.9
249.11229	3.7
249.14865	3.6
249.18535	2.1
252.07745	1.4
267.06473	2.8
267.09845	2.4
267.12143	5.5
267.15891	100.0
267.20505	4.5
268.16168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1381
Annotation	Magnolol
Peak:m/z	Relative Intensity
53.03943	1.1
55.01855	2.4
55.05495	3.1
56.96566	1.3
57.03426	2.1
57.07059	3.0
57.38323	1.1
63.95423	1.0
67.05501	6.9
69.07052	3.1
70.83654	3.3
71.04983	1.1
71.70677	0.9
71.72283	1.1
73.37447	0.9
79.05476	2.9
80.39503	0.9
81.03400	4.2
81.07049	8.2
83.04969	1.5
83.08589	1.9
85.06528	1.1
91.05469	9.7
93.07030	4.9
95.04981	5.3
95.08585	6.0
97.06497	2.4
97.10179	1.2
98.97575	1.3
98.98412	1.2
103.05466	3.4
105.07025	10.1
106.07381	1.4
107.04948	43.5
107.08573	2.8
109.06503	2.0
109.10184	1.6
111.08056	1.1
115.05442	4.5
116.98647	1.3
117.07050	6.6
118.07327	3.2
119.04920	2.2
119.08553	3.9
121.06493	4.3
121.10149	3.9
123.04431	1.1
123.08073	1.7
123.11705	1.9
131.04886	2.0
131.08551	1.6
133.06525	9.5
133.10089	3.6
134.07214	2.1
134.99622	1.0
141.06973	1.7
142.07730	1.3
145.06483	2.2
145.10085	4.1
147.08051	10.7
147.11638	3.3
149.05975	1.5
153.06987	1.7
155.08556	1.4
159.08038	2.9
159.11697	1.6
161.09624	2.1
161.31294	0.9
163.11102	1.2
164.01277	1.0
165.06978	4.0
165.12724	1.2
168.05672	1.8
169.06451	2.4
169.10017	1.2
170.07248	2.5
171.08032	1.3
171.11775	0.9
172.12994	1.1
173.09599	2.1
179.08580	2.5
181.06500	2.0
183.08032	9.2
184.05168	3.2
189.12753	1.0
193.06500	5.5
193.12289	1.3
194.04469	1.2
196.08807	1.1
197.05977	53.5
197.09605	3.6
198.06676	5.9
203.08539	0.9
207.08003	3.5
209.09596	1.5
210.06796	4.9
211.07539	83.8
217.76047	1.0
219.08011	1.6
221.09726	1.3
221.15215	1.7
223.07536	2.5
224.08238	1.7
225.09094	21.6
226.09875	100.0
227.09993	1.1
231.13721	2.2
232.14067	1.6
234.10214	1.4
238.09746	3.0
239.10652	33.7
249.14957	1.5
267.06317	3.0
267.13718	73.7
267.15973	3.8
268.14038	1.9
285.09988	1.3
289.62994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.138
Annotation	Magnolol
Peak:m/z	Relative Intensity
51.13379	2.4
53.03957	2.8
55.05514	3.2
57.03429	5.3
57.07080	5.7
57.97082	2.6
65.03936	11.5
67.05500	90.7
69.07054	3.3
70.81901	2.9
70.82219	4.8
79.05486	8.0
81.03416	21.9
81.07061	10.1
83.08608	4.4
84.99427	2.6
85.06559	4.2
85.32249	2.5
89.70959	2.9
89.75043	3.3
89.78335	2.3
91.05468	4.9
93.07041	5.5
95.04967	54.3
95.08611	7.9
97.06547	2.7
98.98474	2.4
105.07018	7.6
107.04936	3.4
107.08606	5.5
109.06526	9.9
109.10137	4.7
109.38351	2.2
111.08105	2.4
118.10023	2.3
119.08604	8.3
120.23494	2.9
121.10123	6.9
123.08033	4.9
125.84804	2.4
131.08623	3.7
133.06418	4.5
147.11710	4.9
151.07497	13.0
165.07091	3.1
171.07988	13.8
181.06511	9.3
184.05196	100.0
184.29414	2.5
185.09650	2.4
193.12256	32.8
197.05960	23.8
203.14374	3.8
209.09599	4.6
211.07648	4.3
225.09085	53.9
226.09923	6.3
234.20761	2.6
249.18608	3.3
267.06326	2.9
267.10211	3.7
267.13336	13.5
267.16122	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	267.1225
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
54.61394	1.8
55.05500	2.8
58.48681	1.3
67.05505	4.2
69.03408	2.3
69.07069	3.9
69.36814	13.4
79.05500	4.9
81.07059	6.9
83.04976	1.6
85.06541	2.0
91.05495	8.4
93.07028	5.3
95.04980	3.4
95.08608	5.8
97.06504	1.8
98.97569	1.5
105.07024	6.4
107.04956	4.9
107.08553	3.9
109.06532	2.3
109.10158	2.4
115.05460	2.2
116.06291	2.6
116.84111	1.3
116.98647	1.5
117.07032	3.6
119.08573	4.4
120.93788	1.4
121.10121	3.0
123.08060	2.2
128.06218	6.3
129.07008	14.2
131.05042	1.9
131.08568	12.7
133.06497	4.5
133.10114	3.1
140.66350	1.6
141.07019	7.1
142.07710	2.3
143.08551	3.8
144.05699	6.3
145.06487	5.3
145.10103	1.8
146.07234	2.4
157.06506	5.4
158.07274	2.8
159.08054	23.1
161.05939	3.5
161.09612	6.3
170.07275	6.1
171.08034	4.2
172.05272	3.1
173.06053	2.0
174.06818	2.1
175.07613	3.8
175.11227	1.5
187.07535	13.7
189.05412	2.1
189.09108	5.6
201.05478	2.3
203.06990	3.9
204.07861	9.5
207.08186	2.2
207.10170	1.7
216.07780	2.2
219.10080	8.1
221.11743	2.1
231.10223	4.7
231.13768	3.3
249.11214	100.0
250.11575	3.2
267.06378	2.0
267.16016	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03938	1.3
55.01859	1.1
55.05490	1.6
57.03418	1.0
57.48789	0.8
67.05482	3.3
69.03439	1.6
69.07046	2.5
69.93432	1.2
69.93741	5.8
71.04987	1.2
79.05480	4.2
81.03401	1.7
81.07058	4.6
83.04977	1.4
85.06541	1.3
89.90303	0.9
89.99297	0.9
90.21471	0.9
91.05482	6.4
93.07028	3.3
95.04964	2.0
95.08583	2.2
97.06529	1.4
98.20761	1.4
99.04459	2.0
105.03396	0.9
105.07021	5.9
107.04945	4.0
107.08564	2.9
109.02905	1.2
109.06497	2.3
109.10123	1.2
115.05458	3.8
115.17242	1.0
116.06219	1.9
116.98606	0.9
117.07045	2.3
119.04967	1.1
119.08566	2.6
121.06480	1.5
126.35199	0.8
128.06212	5.9
129.07013	14.1
130.07845	1.0
131.04912	2.5
131.08556	11.9
132.05653	1.1
133.06497	3.1
133.10115	3.3
135.04410	1.3
135.08031	1.1
135.11664	1.8
137.05911	1.2
141.06961	5.2
142.07762	2.1
143.08536	3.8
144.05684	6.1
145.06503	5.3
145.10030	1.0
146.07268	2.7
147.04390	1.7
147.08058	1.5
147.11720	1.8
148.07712	0.9
149.09590	2.0
153.05519	1.7
153.06934	1.3
157.06525	5.3
158.07138	1.6
159.08049	21.1
161.05974	4.8
161.09621	6.1
163.11246	1.1
165.05479	1.1
167.07054	3.5
169.07704	1.2
170.07274	5.1
171.08025	4.3
172.05153	2.0
173.05927	2.3
174.06732	1.3
175.07483	1.8
175.11166	1.6
177.05553	1.2
177.09076	1.0
178.06239	1.8
181.12262	1.2
185.13286	1.5
187.07529	12.6
189.05428	2.9
189.09085	8.1
189.12773	1.2
190.06342	1.0
191.07050	1.4
193.04968	1.3
193.08588	1.6
198.06827	1.3
198.27179	1.0
199.07568	1.8
203.07007	3.5
204.07809	10.4
205.08455	2.1
207.10043	1.6
216.07687	1.8
219.10193	6.6
221.08012	1.3
221.11771	3.6
228.36945	0.9
231.10153	5.7
231.13831	2.2
237.11229	2.0
249.11214	100.0
250.11536	2.8
267.06290	2.0
267.08780	2.5
267.12363	1.5
267.16104	1.7
267.19598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	9.9
65.03918	0.9
69.52303	7.1
70.02930	2.1
77.62122	0.7
88.03986	54.6
91.05475	76.4
102.05534	100.0
113.02319	1.1
127.90680	0.8
130.04964	2.1
146.06004	2.8
148.06041	65.4
206.08104	3.2
220.09654	10.4
223.43291	0.8
234.07568	2.7
248.09123	2.7
248.13498	0.8
266.10135	2.9
284.56354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.77739	0.2
55.01859	0.3
55.05479	0.4
56.96563	2.4
57.03413	0.4
57.07051	0.5
61.02908	0.5
65.03923	0.4
67.05498	2.9
69.03397	0.9
69.07039	0.4
70.06573	0.3
70.08142	0.9
71.04965	0.5
73.02892	0.6
73.06514	0.2
74.97609	0.2
75.30518	0.2
79.05467	0.7
79.42443	0.2
81.03397	0.6
81.07061	1.0
82.06561	0.4
84.04478	0.2
84.08125	0.5
84.95986	0.2
85.02897	1.0
85.06522	0.2
85.10121	0.2
87.04393	0.3
87.09206	0.7
88.07597	0.7
89.06025	0.4
91.05444	0.4
93.07039	0.3
94.06558	7.3
94.61713	0.2
95.04939	0.4
95.08581	0.5
95.61345	0.2
97.02872	0.7
98.20660	0.2
98.97568	2.6
100.03957	1.2
101.02345	0.4
101.07793	0.2
105.07019	0.3
106.06554	2.8
107.04971	0.5
107.08575	0.3
109.02866	0.4
110.06015	0.4
110.07205	0.2
116.98596	2.3
118.04999	0.9
119.04945	0.2
119.08549	0.2
120.04453	0.4
120.08056	0.3
122.05145	0.4
122.06017	6.5
123.04384	0.3
127.03922	0.6
128.07047	0.8
128.98604	0.6
131.04950	0.2
131.99689	0.2
133.10101	0.2
134.99631	1.8
136.06165	0.7
137.05949	0.3
143.08479	0.3
146.99660	0.5
150.05492	100.0
150.99185	0.4
151.05826	0.8
152.07045	0.3
153.00648	0.2
154.08615	0.2
158.99651	0.6
161.05988	0.3
165.00642	0.3
168.06546	3.8
169.00162	0.3
177.00673	1.4
177.05522	0.4
179.07050	0.2
193.00243	0.2
203.14366	0.3
206.98022	0.5
219.01758	0.3
225.05832	0.3
226.03911	0.4
231.13763	0.6
232.14146	0.2
237.02724	0.2
244.05000	0.6
247.06073	0.3
249.15047	0.2
263.14221	0.2
267.00253	0.8
267.09784	6.6
267.13422	0.7
267.19989	0.2
285.01346	0.6
287.05505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
54.34889	1.4
55.05259	2.9
55.05506	39.2
57.03428	2.4
57.07069	17.6
67.05505	38.5
69.07064	54.8
71.04983	3.1
71.08621	7.5
71.60906	2.4
79.05490	20.9
81.07053	52.2
83.04973	3.0
83.08135	2.6
83.08614	42.2
85.06525	3.0
85.10174	4.3
88.48666	1.3
90.50166	1.4
91.05443	4.8
93.07032	27.9
95.05000	2.0
95.08603	51.9
97.06525	15.8
97.10163	28.0
99.08076	2.6
105.07057	1.8
107.08595	17.8
109.06532	1.9
109.10149	26.9
111.08070	11.2
111.11709	10.2
111.40789	1.6
119.08567	2.8
121.09313	2.5
121.10143	41.1
123.11733	7.9
124.11224	2.5
125.09646	3.3
131.08580	2.0
132.37277	1.6
135.11681	31.5
137.13235	4.4
139.11169	2.7
145.10069	2.8
149.13268	12.5
151.14810	6.7
159.11609	1.7
163.14822	8.1
165.16376	6.0
177.16380	2.5
206.51181	1.7
219.13617	1.9
247.13364	1.8
247.24173	33.2
250.09995	2.5
265.11942	2.1
265.14444	3.0
265.18085	5.1
265.25256	100.0
266.25650	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95568	0.2
65.08121	0.2
66.65344	0.2
70.07520	0.4
70.07935	0.8
73.08105	0.2
75.16601	0.2
101.00871	1.0
119.01914	8.7
134.99771	0.5
137.02950	2.9
139.02716	0.2
141.99651	0.2
142.03517	0.4
158.99879	0.4
177.00943	14.6
178.01064	0.5
179.49367	0.4
182.99771	0.4
191.00328	0.9
191.20883	0.2
191.50510	0.3
193.04002	0.4
195.01993	0.5
200.02605	0.4
201.00848	1.1
201.02480	0.5
217.04140	2.1
219.01988	20.4
220.02129	1.9
225.00803	1.8
230.97888	0.3
242.03474	0.7
243.01936	6.6
243.04193	0.5
247.86313	0.2
260.04431	0.2
261.03046	100.0
262.03247	3.0
263.03305	0.3
266.03186	0.4
284.04645	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	265.1798
Annotation	Cantabrenolic acid methyl ester
Peak:m/z	Relative Intensity
53.60839	1.4
55.01857	3.0
55.05510	8.3
56.96553	2.6
57.03423	1.6
57.07061	6.0
67.05510	13.4
69.03418	4.2
69.07063	11.5
71.04964	4.8
71.08619	3.6
71.63526	1.6
74.56036	1.4
74.67256	1.3
79.05484	9.5
79.35185	1.2
81.03407	3.3
81.07056	19.6
83.04994	3.5
83.08601	5.1
85.02896	1.9
85.06539	8.0
91.05476	10.3
93.07047	18.1
95.04951	3.7
95.08034	2.2
95.08601	25.0
97.02866	2.2
97.06506	3.9
97.10168	2.8
98.09695	1.5
98.97560	3.6
99.04426	1.8
103.05477	2.5
105.07037	17.3
107.04928	3.8
107.08589	20.1
109.02878	1.4
109.06523	6.4
109.10157	12.6
111.04405	3.8
111.08059	3.6
115.05468	1.7
116.98627	2.7
117.07020	11.2
119.08575	21.6
121.06496	5.6
121.10146	15.8
122.35359	1.2
123.08054	3.4
123.11694	4.4
124.11190	3.0
125.06020	1.7
125.09537	1.5
128.06145	2.3
129.06998	3.2
130.07750	2.0
131.04868	2.2
131.08556	15.5
133.06506	2.3
133.10135	21.3
135.08049	9.5
135.11688	7.0
137.05940	2.5
137.09608	2.4
137.13225	2.0
143.08540	3.4
144.09294	2.2
145.06483	8.4
145.10112	33.1
146.99741	1.5
147.08012	2.4
147.11687	7.4
149.05936	2.9
149.09596	7.6
149.13243	2.9
151.88776	1.5
156.05661	1.9
157.10095	3.0
159.08032	3.7
159.10481	1.3
159.11708	21.1
161.09564	6.5
161.13219	3.2
163.07489	2.6
163.11166	8.9
163.14790	2.5
165.09109	2.1
167.07057	6.7
171.11610	2.0
173.05980	10.3
173.09619	3.6
173.13248	4.7
175.07576	1.8
175.11136	2.1
175.14859	2.6
177.00676	2.1
177.05496	1.8
177.09081	3.7
177.12704	1.8
177.16412	2.1
179.10583	2.1
179.14322	2.2
181.10011	1.6
181.12260	1.6
185.13182	2.7
187.07579	3.3
187.11163	5.7
187.14795	2.9
189.09010	2.2
189.12631	1.6
190.06235	4.7
191.07016	2.3
191.10678	10.9
201.12767	2.5
201.16405	16.5
203.06998	2.3
203.17929	2.1
205.08559	12.2
205.12227	4.6
205.15845	25.5
209.11597	2.2
209.13388	1.3
217.08569	3.0
218.04991	1.2
219.10085	1.5
219.13779	2.7
219.17435	13.8
229.12218	3.3
229.15823	2.4
233.05840	1.4
235.07518	1.5
237.09041	1.5
240.46968	1.4
247.09686	2.8
247.13080	3.5
247.16936	58.9
247.24078	1.5
250.06169	1.5
256.13336	1.6
264.60883	1.5
265.08673	6.4
265.14496	4.8
265.17947	100.0
265.25201	2.7
271.14230	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
55.05508	1.8
60.93065	1.1
67.05487	5.3
68.30531	1.3
69.03424	2.2
71.04977	2.0
71.06781	2.4
71.07114	1.3
71.65773	1.2
79.05492	6.4
81.07037	3.9
83.04960	3.1
88.33440	1.2
91.05486	8.6
93.07022	7.2
94.40324	1.2
95.04964	14.5
95.08596	2.9
97.06503	1.7
105.06367	2.4
105.07017	21.6
107.04962	1.3
107.08593	6.2
109.06480	5.9
109.10101	1.2
111.03694	2.1
111.04435	33.6
113.05975	1.4
115.05400	1.6
117.06998	5.3
119.08575	15.7
121.06477	6.4
121.10112	2.1
128.06236	1.3
129.06998	3.9
130.07776	2.9
131.08562	14.4
133.06488	13.6
133.10130	3.0
135.08075	2.5
137.09625	1.5
141.06982	2.9
142.07758	2.4
143.08553	3.5
144.05710	1.4
144.09293	3.3
145.06476	5.6
145.10110	11.5
147.08046	23.0
149.05949	2.2
155.08511	2.5
155.10638	5.7
157.06439	1.5
157.10127	4.5
158.07248	5.4
159.08061	15.5
159.11676	13.1
161.09613	5.3
163.07536	2.5
163.11172	1.5
165.09171	1.7
168.09335	2.0
169.10124	2.1
171.08014	2.1
172.08788	6.1
173.09637	2.2
173.13235	3.7
175.07526	20.8
183.11620	2.8
185.09680	1.4
185.13254	1.4
186.10468	1.8
187.11194	11.8
189.09079	6.5
193.08592	36.5
193.10266	2.5
196.08778	2.6
199.11205	1.5
201.12762	3.8
205.12128	1.4
211.11174	5.3
219.13766	2.4
220.30202	1.3
229.12239	6.0
247.13269	9.8
258.58609	1.2
265.14334	100.0
265.17822	4.1
266.10437	1.2
266.14682	1.5
278.18173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.63650	2.1
53.03952	2.8
55.05496	6.2
65.03946	6.5
67.05502	17.3
68.46687	2.6
68.47050	2.5
69.03427	20.9
71.04970	6.0
71.60247	5.4
79.05490	16.6
81.07065	13.6
82.52624	2.4
82.88199	2.4
83.04980	7.1
85.42851	2.2
91.05476	33.1
93.03391	5.9
93.07038	27.3
94.25916	2.3
95.04967	37.1
95.08611	12.9
97.02857	4.5
97.06507	5.5
99.04438	3.8
103.05422	3.2
105.07016	48.5
107.04942	3.4
107.08600	17.7
109.06511	25.0
109.10152	4.3
111.04440	22.7
111.08030	8.1
111.57532	2.4
113.05971	12.7
115.05439	4.1
116.06208	2.9
117.06995	14.3
118.11979	2.2
119.08575	60.3
121.02828	7.2
121.06485	33.1
121.10106	10.6
123.08043	16.5
125.06031	3.6
125.39696	2.4
128.06197	5.8
129.07028	12.7
130.07834	5.7
131.08554	32.4
132.05693	2.6
133.06451	8.3
133.10115	15.9
135.08043	58.5
137.09578	8.9
139.03880	6.7
139.07481	7.0
141.06955	7.0
142.07701	5.8
143.08577	13.7
144.05675	2.9
144.09357	7.1
145.06468	10.8
145.10107	22.3
147.08025	32.2
147.11665	12.4
149.05945	4.7
149.09569	8.3
151.07556	4.2
153.09103	5.1
155.08554	5.9
156.09358	4.7
157.06606	2.5
157.10129	15.4
158.07230	15.1
158.10786	3.3
159.08041	27.3
159.11662	35.1
160.08791	4.1
161.05988	3.1
161.09605	28.6
161.13216	4.5
161.64491	2.6
163.07506	5.5
165.09113	19.1
167.08578	3.0
168.09308	4.2
169.10129	4.2
171.11685	7.3
172.08800	17.3
173.09592	11.3
173.13213	12.4
174.06841	3.5
175.07555	51.2
175.11160	26.6
179.07069	2.8
181.06508	3.0
183.11681	8.5
185.09645	6.0
186.10289	4.7
187.11188	37.9
189.09122	13.0
189.12691	11.7
193.08620	32.7
193.10243	4.2
194.08781	3.0
196.08853	3.7
199.11169	9.8
201.12738	25.8
203.10625	29.0
205.12250	5.7
207.10208	4.7
211.11166	13.3
217.12245	18.0
219.13791	8.0
229.12263	20.0
235.13263	9.9
247.13245	42.6
265.14331	100.0
266.14505	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	265.1432
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.81291	2.5
55.01858	4.9
55.05503	13.2
57.07060	5.6
59.04993	3.0
67.05500	13.7
68.60957	2.6
69.03425	23.8
69.07050	10.0
69.08886	2.3
69.38965	19.8
69.39390	8.7
71.04993	6.1
78.64558	2.7
79.05474	13.5
81.07047	24.1
83.04971	43.5
83.08601	6.8
85.02877	5.0
85.06542	7.2
85.76147	2.9
86.24486	2.5
91.05479	21.8
93.07030	24.4
95.04969	13.0
95.08593	21.1
97.02904	5.6
97.06509	7.8
99.08046	2.8
103.03948	14.7
105.07024	23.7
107.04937	6.1
107.08577	39.4
109.02834	2.8
109.06509	48.0
109.10133	12.2
111.08095	5.4
115.05456	6.7
117.06996	23.6
119.08555	23.8
121.02872	2.6
121.06496	24.3
121.10126	37.1
123.04418	3.2
123.08056	6.9
123.11666	4.8
125.05956	4.8
125.09624	39.7
128.06157	2.8
129.06993	7.1
130.07808	3.1
131.08559	18.6
133.06406	3.0
133.10107	14.1
135.04424	4.0
135.08040	48.7
135.11652	27.6
137.05937	4.7
137.09579	8.1
137.13249	3.5
139.07526	2.3
140.56070	2.5
142.60713	2.6
143.08524	8.6
144.05605	2.6
144.09276	8.6
145.06458	19.6
145.10118	34.4
147.08043	11.4
147.11609	3.3
149.05968	36.5
149.09605	53.2
149.13167	4.7
151.07547	3.4
153.05396	4.4
155.07016	17.1
157.10164	5.4
158.10909	9.0
159.08026	11.0
159.11687	40.3
161.09587	10.3
161.13214	6.9
163.07520	14.5
163.11166	100.0
165.09033	4.5
167.06995	7.7
169.10118	3.5
171.11519	2.9
172.08820	10.2
173.06001	13.3
173.09601	7.0
173.13246	29.8
175.07513	3.2
177.05486	3.7
177.12741	11.4
181.04976	4.3
181.08585	37.8
183.11705	6.1
186.10390	4.6
187.07561	2.9
187.11165	88.0
189.09070	5.1
191.07004	6.8
191.10623	7.4
201.12732	75.1
203.14224	6.6
205.08624	9.6
205.12218	69.0
207.10080	3.3
217.08630	4.0
219.13792	13.1
221.15349	11.0
223.13292	3.4
229.12224	73.5
229.15758	3.5
235.13319	7.1
247.13278	52.6
247.16008	3.2
247.16943	3.6
265.08441	9.3
265.14328	77.7
265.18362	3.7
265.21637	3.2
265.25177	5.8
266.09326	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
50.48449	0.9
51.00821	1.2
53.03922	1.5
53.38885	0.9
54.12892	1.1
55.01846	2.2
55.05504	5.4
57.03414	1.9
57.07070	7.1
59.04999	5.8
60.04528	10.7
65.03919	3.4
66.31945	1.1
67.05496	7.5
68.99769	2.3
69.03433	7.1
69.07053	2.8
69.27895	13.3
70.02940	1.6
71.04927	1.2
73.06530	4.4
79.05484	10.4
81.03397	1.9
81.07047	8.1
81.50197	1.0
83.04977	11.1
83.08591	2.9
85.02880	2.5
85.06509	1.1
88.03986	47.5
90.94393	1.1
91.05475	79.6
93.03403	3.0
93.07041	14.3
95.04945	8.1
95.08582	6.4
97.02854	1.4
97.06528	7.4
99.04444	1.1
101.66000	1.1
102.05534	83.4
103.05429	2.8
105.07018	10.8
107.04947	2.1
107.08587	27.6
109.02880	1.3
109.06503	18.6
109.10172	5.3
111.04423	4.6
111.08070	11.3
113.02361	2.6
113.06029	1.4
115.05428	3.1
116.98640	1.5
117.07024	13.5
119.04915	1.0
119.08566	24.1
120.08098	16.7
121.02837	2.5
121.06502	24.5
121.10136	8.4
123.04490	2.3
123.08036	5.3
125.05959	2.2
125.09634	5.6
129.06969	1.5
131.04883	1.2
131.08543	4.0
133.10092	4.4
135.08044	46.8
135.11620	6.9
137.05907	2.5
137.09573	3.1
139.03897	5.3
139.07518	3.0
143.08562	3.6
144.09267	1.4
145.06462	11.8
145.10132	6.7
146.05959	2.3
147.08018	6.9
147.11655	1.3
148.06033	57.3
149.05997	9.4
149.09613	5.2
151.07532	13.6
153.09087	14.3
155.08430	1.2
157.10190	1.4
158.10809	2.1
159.08060	2.6
159.11707	8.2
161.09610	5.4
161.13239	1.4
163.07527	42.7
163.11209	4.1
165.09151	2.4
166.08611	6.4
167.07036	2.4
170.10811	2.4
172.08810	3.7
173.06012	2.3
173.09584	1.9
173.13216	8.4
177.12730	7.7
181.08583	26.2
183.11696	2.2
185.13188	1.6
186.10263	1.5
187.11195	11.5
189.09084	3.0
191.07011	9.7
194.07518	1.6
201.12738	10.7
203.14238	1.2
205.12239	16.1
206.08075	2.9
207.10123	3.5
209.08081	47.4
219.13733	6.5
220.09680	9.0
227.09149	1.9
229.12180	9.5
234.07628	2.7
247.13245	12.0
247.17029	1.6
248.09174	2.8
250.10838	2.1
265.14325	100.0
266.10358	1.9
266.14395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48449	0.9
51.00821	1.2
53.03922	1.5
53.38885	0.9
54.12892	1.1
55.01846	2.2
55.05504	5.4
57.03414	1.9
57.07070	7.1
59.04999	5.8
60.04528	10.7
65.03919	3.4
66.31945	1.1
67.05496	7.5
68.99769	2.3
69.03433	7.1
69.07053	2.8
69.27895	13.3
70.02940	1.6
71.04927	1.2
73.06530	4.4
79.05484	10.4
81.03397	1.9
81.07047	8.1
81.50197	1.0
83.04977	11.1
83.08591	2.9
85.02880	2.5
85.06509	1.1
88.03986	47.5
90.94393	1.1
91.05475	79.6
93.03403	3.0
93.07041	14.3
95.04945	8.1
95.08582	6.4
97.02854	1.4
97.06528	7.4
99.04444	1.1
101.66000	1.1
102.05534	83.4
103.05429	2.8
105.07018	10.8
107.04947	2.1
107.08587	27.6
109.02880	1.3
109.06503	18.6
109.10172	5.3
111.04423	4.6
111.08070	11.3
113.02361	2.6
113.06029	1.4
115.05428	3.1
116.98640	1.5
117.07024	13.5
119.04915	1.0
119.08566	24.1
120.08098	16.7
121.02837	2.5
121.06502	24.5
121.10136	8.4
123.04490	2.3
123.08036	5.3
125.05959	2.2
125.09634	5.6
129.06969	1.5
131.04883	1.2
131.08543	4.0
133.10092	4.4
135.08044	46.8
135.11620	6.9
137.05907	2.5
137.09573	3.1
139.03897	5.3
139.07518	3.0
143.08562	3.6
144.09267	1.4
145.06462	11.8
145.10132	6.7
146.05959	2.3
147.08018	6.9
147.11655	1.3
148.06033	57.3
149.05997	9.4
149.09613	5.2
151.07532	13.6
153.09087	14.3
155.08430	1.2
157.10190	1.4
158.10809	2.1
159.08060	2.6
159.11707	8.2
161.09610	5.4
161.13239	1.4
163.07527	42.7
163.11209	4.1
165.09151	2.4
166.08611	6.4
167.07036	2.4
170.10811	2.4
172.08810	3.7
173.06012	2.3
173.09584	1.9
173.13216	8.4
177.12730	7.7
181.08583	26.2
183.11696	2.2
185.13188	1.6
186.10263	1.5
187.11195	11.5
189.09084	3.0
191.07011	9.7
194.07518	1.6
201.12738	10.7
203.14238	1.2
205.12239	16.1
206.08075	2.9
207.10123	3.5
209.08081	47.4
219.13733	6.5
220.09680	9.0
227.09149	1.9
229.12180	9.5
234.07628	2.7
247.13245	12.0
247.17029	1.6
248.09174	2.8
250.10838	2.1
265.14325	100.0
266.10358	1.9
266.14395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
53.03926	1.6
55.01851	2.5
55.05513	3.9
57.03407	2.1
57.07060	1.0
64.99713	0.7
65.03915	1.3
67.05487	4.2
69.03425	9.6
69.07061	1.8
69.80017	5.5
70.06550	0.9
71.04967	2.2
73.02884	1.9
79.05491	8.5
81.03413	6.5
81.07044	5.8
83.04977	4.5
84.04527	0.8
85.02898	4.8
85.06492	1.1
91.04892	1.0
91.05468	19.1
91.88722	0.9
93.07029	11.1
95.04966	18.6
95.08594	5.9
97.02864	3.1
97.06498	1.8
98.20737	1.5
99.04412	2.2
103.05440	2.2
105.07021	28.3
107.04948	1.6
107.08581	7.1
109.02832	1.9
109.06512	5.7
109.10133	1.8
111.04433	39.7
111.08054	1.3
113.02290	1.1
115.05443	3.1
116.06157	1.3
117.07001	9.3
119.04915	1.3
119.08568	18.8
121.02808	1.2
121.06497	8.1
121.10130	3.4
123.04404	1.0
123.08023	2.2
127.03865	2.7
128.06189	3.1
129.05460	1.4
129.07001	5.8
130.07767	2.8
131.04869	1.4
131.08551	16.5
132.05678	1.1
133.06485	17.5
133.10136	5.0
135.08047	4.5
137.05930	1.7
137.09560	1.8
138.09102	1.8
139.07550	0.9
141.06973	4.1
142.07727	1.9
143.08553	6.4
144.05629	1.6
144.09326	3.8
145.04994	1.5
145.06447	7.3
145.10101	17.4
146.07231	1.5
147.06934	1.6
147.08040	23.9
147.11638	2.3
149.05931	2.3
149.09579	2.4
151.07532	1.8
153.06950	1.0
154.07805	1.8
155.08502	2.6
155.10617	4.4
156.09323	0.9
157.06497	2.1
157.10091	4.9
158.07253	7.7
159.08049	21.3
159.10451	1.2
159.11681	16.8
161.05965	1.1
161.09593	5.9
161.13237	0.9
163.07510	3.5
163.11073	1.3
165.09059	1.1
168.09335	3.3
169.10065	2.5
171.08011	4.1
172.08839	8.0
173.05936	1.9
173.09583	3.2
173.13232	4.5
175.07530	28.2
175.11082	1.8
176.04643	1.2
177.05405	1.9
177.06854	1.0
177.12708	1.2
178.95692	0.8
179.07010	1.5
181.06250	1.2
183.11714	4.4
185.09598	1.0
185.13216	2.2
186.10297	1.7
187.07506	1.4
187.11176	12.7
189.09093	8.3
189.12749	0.8
191.07021	4.4
191.10693	1.0
193.08592	36.7
193.10118	1.9
194.07211	1.1
196.08763	2.8
201.12677	6.7
203.10609	1.1
205.04903	2.4
205.12247	2.4
206.08182	1.1
207.10168	1.1
211.11180	6.7
217.12320	1.4
219.06505	3.2
219.10110	0.8
219.13724	2.2
229.11900	6.5
247.09712	1.1
247.10512	1.1
247.13196	9.9
265.06830	2.8
265.14304	100.0
266.14612	1.9
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	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03936	6.1
55.05494	11.0
56.96574	3.2
57.03442	3.5
63.19299	3.0
65.03918	8.6
67.05505	27.2
69.03424	31.2
69.07050	4.9
70.50870	4.6
70.51231	10.0
71.04975	13.6
72.08144	3.4
76.20755	3.3
77.43424	3.4
79.05480	27.5
81.03394	4.4
81.07058	22.1
83.04970	6.1
85.02887	7.1
85.06531	4.0
87.04453	4.1
91.05473	38.3
93.03405	5.5
93.07043	40.6
95.04964	35.1
95.08588	17.8
97.02877	11.6
97.06514	9.2
98.97565	10.9
99.04425	6.2
103.05449	5.6
105.07025	61.1
107.04913	6.1
107.08585	20.3
109.02872	4.1
109.06492	35.4
109.10140	9.3
111.04453	28.4
111.08025	9.7
113.05997	14.3
115.03905	5.1
115.05441	9.9
116.06293	3.4
116.98596	6.9
117.06991	14.6
119.04964	4.2
119.08570	73.0
120.08105	16.9
120.08839	3.4
121.02840	10.9
121.06525	39.3
121.10117	14.8
123.04404	3.6
123.08054	24.9
124.07606	4.4
124.11179	5.0
129.07008	17.4
130.07779	7.1
131.04913	7.0
131.08549	42.9
133.06474	14.4
133.10083	19.5
135.08051	74.2
137.05954	4.0
137.09586	16.5
139.03870	13.9
139.07562	9.7
141.06946	5.7
142.07742	9.7
143.08566	18.9
144.09343	7.8
145.06485	11.7
145.10118	34.2
147.08037	46.3
147.11674	14.9
149.06009	6.1
149.09584	13.9
151.07542	6.1
155.08551	7.4
156.09271	5.3
157.06454	3.5
157.10098	26.9
158.07297	17.5
159.04427	4.1
159.08072	37.7
159.11676	47.4
160.08818	3.8
161.09598	34.1
161.13203	3.8
163.07532	8.3
165.09103	31.8
168.09346	5.9
169.10069	5.8
171.08008	7.5
171.11703	5.9
172.08812	22.3
173.09630	22.9
173.13231	18.4
174.06796	4.8
175.07545	62.8
175.11156	33.0
177.00700	5.1
177.05472	7.5
177.09134	3.4
181.10104	5.3
183.11671	13.9
185.09570	8.3
186.10294	5.4
187.07552	6.3
187.11163	44.8
189.09093	12.2
189.12721	15.1
191.07010	8.8
193.08607	35.5
196.08821	6.5
199.11198	11.0
201.12721	36.5
203.10640	42.2
205.04872	10.9
205.12099	7.4
207.10173	4.5
211.11232	23.2
217.12149	24.9
219.01788	4.2
219.06491	6.8
219.13760	11.8
229.12187	31.7
235.13284	6.2
247.13255	56.7
265.07104	7.0
265.11795	5.8
265.14304	100.0
265.18738	5.6
283.13394	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	265.1432
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
53.92957	0.7
55.05491	2.4
56.14915	0.7
58.74089	0.8
65.03907	0.9
67.05509	4.2
69.03401	3.6
69.07053	1.5
71.04975	1.4
71.62305	1.1
79.05479	7.0
81.07056	6.8
83.04954	3.2
85.06509	0.9
89.70599	0.7
91.05478	10.1
93.03404	0.7
93.07034	9.7
95.04963	15.5
95.08592	4.3
97.02876	1.1
97.06506	1.7
103.05428	1.5
105.07024	23.8
107.08601	5.6
109.02863	2.3
109.06509	6.8
109.10143	1.4
111.04435	33.2
111.08086	1.9
115.05452	1.7
116.06231	1.1
117.07017	7.2
119.08572	22.2
120.08871	0.8
121.06480	8.7
121.10104	3.0
123.08031	2.2
124.07606	0.8
125.05959	0.8
125.09597	0.9
128.06209	3.1
129.07005	4.7
130.07768	2.2
131.04941	0.9
131.08572	15.1
133.06482	16.0
133.10109	4.6
135.08055	4.4
137.05933	1.3
137.09587	1.6
141.06967	3.2
142.07773	1.6
143.08527	4.7
144.05687	1.4
144.09319	3.2
145.06503	5.9
145.10112	14.8
146.07204	0.9
147.08029	23.4
147.11678	2.0
149.05940	2.8
149.09529	2.4
151.07561	2.0
153.09030	1.1
154.07753	1.8
155.08559	2.3
155.10645	7.0
156.09360	1.1
157.06462	1.3
157.10110	4.3
158.07237	7.7
158.10878	1.1
159.08051	17.4
159.09390	1.0
159.11674	16.1
161.05943	0.9
161.09624	6.9
163.07512	3.4
163.11108	0.9
167.08450	1.1
167.10652	0.8
168.09322	1.8
169.10036	2.5
171.08020	3.2
171.11606	0.8
171.15335	0.7
172.08856	6.2
173.09587	4.8
173.13301	4.2
175.07536	22.1
175.11073	1.1
177.05400	0.8
177.09090	0.7
179.06956	0.7
181.06302	0.7
183.11630	4.7
185.09570	1.6
185.13191	1.7
186.10321	1.3
187.07597	1.2
187.11183	11.3
189.09100	8.0
191.07008	1.6
191.10585	0.9
193.08592	33.2
193.10114	2.0
196.08832	2.7
199.11168	2.0
201.12746	6.7
203.10612	1.3
205.12248	1.9
211.11191	5.8
217.12164	2.5
219.13777	2.5
229.12178	6.6
247.13167	9.7
265.14322	100.0
266.14575	1.4
266.17349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2321
Annotation	Victoxinine
Peak:m/z	Relative Intensity
55.05493	1.2
55.33140	0.3
56.05025	0.3
56.96549	0.4
57.07070	0.5
67.05508	1.4
69.07066	1.7
71.60794	0.4
72.08124	0.5
74.06067	3.0
79.05470	0.8
81.03401	0.5
81.07049	2.4
83.08600	1.1
85.02882	0.4
85.06562	0.3
88.07622	6.4
89.16127	0.3
91.05435	0.7
93.07036	2.7
95.04916	0.4
95.08610	3.3
97.10159	0.4
98.97582	0.7
100.07625	0.7
105.07029	1.1
105.60532	0.3
107.08579	3.5
109.06495	0.3
109.10152	2.2
113.64378	0.3
114.09151	0.6
116.98599	0.6
117.07040	0.6
119.08566	0.8
121.10133	2.5
123.11665	0.9
124.07520	0.4
124.11216	0.5
131.08565	0.5
133.10107	1.1
134.99672	0.5
135.11671	2.1
138.83572	0.3
140.10670	0.4
145.06421	1.1
147.11670	0.5
149.13281	0.5
158.92157	0.3
159.08040	0.3
161.13297	0.3
166.78142	0.3
167.07080	0.5
173.06013	1.0
191.17946	0.4
205.08571	1.2
206.15425	0.3
219.01585	0.4
221.17793	0.5
241.08139	0.3
247.09526	0.4
264.23196	100.0
265.08392	0.4
265.10941	0.5
265.14124	0.3
265.18652	0.4
265.23560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01860	13.1
55.05507	9.5
56.96286	7.2
56.96559	100.0
57.03428	51.5
57.40036	3.8
59.04982	4.6
60.95838	6.8
61.02915	30.3
61.48496	3.5
64.40150	3.3
67.05500	6.5
69.03426	67.5
69.07079	7.5
69.49918	4.1
70.06580	7.6
70.26926	16.5
71.04979	13.7
72.08142	6.1
73.02909	82.1
74.97607	5.0
76.11868	3.8
77.23872	3.5
79.05501	4.8
81.03410	24.4
81.07037	4.6
82.32069	4.4
83.04965	4.3
84.04492	7.3
84.96034	8.6
85.02898	95.8
86.03230	9.8
86.09700	17.0
87.04459	17.7
88.03979	5.6
91.03944	6.7
91.05502	5.9
92.01303	5.9
95.04958	4.0
96.01534	8.9
97.02888	99.7
97.06504	4.4
98.01267	6.8
98.03187	12.2
98.97578	83.5
99.04431	12.6
102.01540	5.4
102.96931	6.8
103.05456	11.2
104.01276	12.4
107.03568	4.9
109.02865	12.6
110.01265	9.3
110.06018	6.8
110.97571	9.8
111.01999	5.1
111.04428	5.7
112.99118	5.2
113.01784	3.7
115.00738	4.9
115.03880	11.6
116.07072	4.9
116.98608	73.7
117.01962	4.5
118.01141	4.1
118.02814	5.4
118.13829	4.0
119.01801	26.2
120.01961	4.6
125.05967	6.5
126.02570	6.5
127.03932	30.3
128.02293	22.7
128.98578	28.7
131.00172	11.7
131.01814	7.9
131.04936	18.5
131.99675	9.6
132.04359	8.2
133.01672	9.7
133.03351	4.3
134.99664	38.7
135.03088	5.8
138.02542	7.6
140.02307	7.9
140.04201	4.2
143.00168	11.8
143.92686	3.9
145.01701	9.9
145.03314	9.1
145.04977	23.8
146.99660	35.1
147.03143	13.8
147.04294	5.3
149.01241	12.7
149.02800	6.9
152.02261	5.4
153.03072	8.5
154.03841	13.1
155.02919	9.3
155.04593	10.2
155.08157	15.2
158.99690	30.0
159.03250	10.0
161.01166	20.0
161.02911	11.5
161.04671	13.8
162.03067	11.6
162.99051	10.7
163.02777	8.2
163.04356	8.9
163.07552	6.2
165.00754	9.0
165.04308	4.4
168.03610	6.7
168.05397	7.1
169.04434	7.3
169.54552	5.3
170.05161	85.8
170.53897	4.3
170.55348	5.3
170.99612	10.7
171.05067	5.9
173.01268	8.7
173.02812	9.3
174.55222	5.0
174.99217	5.5
175.02791	23.6
175.04126	5.4
176.03305	9.8
176.05110	7.6
177.00722	45.8
177.04305	29.9
177.05968	18.8
178.04752	4.5
179.02118	10.8
181.00090	9.5
181.56017	14.7
182.03371	10.8
182.55356	4.8
183.04143	32.6
183.05859	7.0
183.54411	4.4
185.01187	6.6
185.03859	14.8
189.00653	15.6
189.04097	28.7
191.02266	6.9
191.03888	8.7
191.05696	6.8
191.55830	5.3
192.04712	64.0
192.06366	8.0
192.54887	6.5
193.00104	6.1
193.03772	23.1
195.05362	8.3
196.54749	4.6
198.04594	15.1
199.05519	5.3
201.00728	20.5
201.05150	30.9
202.01190	4.4
202.04953	5.1
203.02280	8.4
203.04062	8.0
203.06947	4.0
203.55519	11.3
204.04449	6.5
207.01761	6.5
207.05168	24.2
209.55371	5.5
212.56012	10.0
215.02217	5.1
219.01740	48.4
219.05212	9.9
223.01094	13.3
229.08563	5.7
233.03479	5.0
237.02824	41.0
239.05061	10.0
241.00063	6.3
242.03534	5.0
243.01604	6.1
246.13403	9.1
248.05487	9.1
251.04268	20.9
255.06007	21.8
259.01227	5.3
260.04520	5.8
264.06656	33.0
264.09064	5.9
264.14075	5.5
264.56732	7.2
265.02359	5.5
269.05365	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.87253	0.5
53.03946	0.9
55.01870	0.8
55.05256	1.0
55.05508	14.4
56.96580	1.0
57.03432	1.9
57.07070	10.7
57.07334	0.8
65.03935	2.0
65.31319	0.5
67.05500	90.9
69.07065	16.2
69.47409	3.2
69.47816	1.4
70.95926	0.6
71.05000	1.5
71.08628	7.0
79.05486	19.3
81.07051	100.0
83.04974	1.6
83.08614	14.2
85.06535	4.4
85.10170	3.0
91.05473	15.7
93.07035	23.4
93.21621	0.5
95.04987	2.6
95.08601	88.0
96.08931	0.7
97.06530	7.8
97.10165	7.3
98.20714	1.3
99.08092	4.5
104.99246	3.8
105.07021	10.3
105.07668	0.9
107.08585	13.7
109.06530	1.3
109.10149	47.3
110.10523	0.8
111.08073	5.6
111.11726	1.3
113.09655	3.7
117.07024	0.7
119.08569	13.4
121.10130	18.3
121.20638	0.6
123.08067	2.2
123.10800	1.3
123.11697	23.3
125.09632	1.3
127.11206	1.9
133.10118	16.6
133.11067	1.0
135.11682	11.0
135.12689	0.8
137.09608	2.5
137.13245	7.7
139.11108	0.6
141.12720	1.8
147.11681	10.4
149.13239	8.6
151.11136	1.4
151.14798	7.7
155.14317	2.1
157.10179	0.5
161.13261	10.9
163.14806	9.6
165.16393	9.0
167.14357	0.8
175.14801	7.9
177.16415	1.8
179.17921	4.4
181.15865	1.4
189.16396	4.3
191.18050	0.7
199.06432	0.5
203.17990	1.3
215.58507	0.6
217.07280	0.9
217.19542	1.8
219.21046	0.8
245.22643	40.3
246.22900	0.5
263.23691	85.1
264.24039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77965	2.5
55.05519	13.6
55.05734	3.2
57.03425	3.5
57.07067	13.0
57.18975	2.0
59.77239	2.1
62.54633	2.1
65.03893	2.2
65.46526	2.0
67.05502	91.8
69.03387	2.1
69.07063	15.1
70.97980	4.1
71.04977	2.9
71.08611	5.4
72.55368	2.0
79.05486	24.9
81.07053	100.0
83.04958	2.3
83.08625	11.4
85.06535	4.5
85.10155	5.5
91.05474	20.8
93.07032	25.0
95.04963	4.5
95.08601	97.7
95.35551	2.7
97.06518	8.1
97.10139	8.8
97.17410	2.0
99.08095	6.7
104.99263	15.1
105.07013	14.2
107.08582	12.7
109.06522	3.7
109.09452	3.1
109.10153	41.6
111.08098	5.3
119.08615	14.5
121.10132	20.0
123.08082	5.0
123.11730	16.9
127.11140	3.4
131.08553	3.1
133.10107	20.4
135.11671	11.4
137.09590	5.0
137.13249	10.7
141.12773	3.0
147.11681	12.6
149.13213	6.5
151.14807	6.7
155.14285	2.3
157.10104	3.4
161.13264	13.2
163.14795	8.9
165.16328	11.4
175.14796	12.7
177.16301	3.4
179.17941	10.0
185.09431	2.3
189.16402	4.3
245.22650	39.3
262.50232	2.5
263.14661	12.7
263.20529	3.5
263.23679	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.2
55.01867	1.0
55.05247	1.5
55.05505	15.3
57.03433	1.3
57.07074	12.1
65.03931	1.8
67.05502	95.0
69.03436	0.8
69.06712	1.6
69.07065	17.9
70.95024	1.7
71.04981	2.1
71.08626	9.0
79.05490	24.1
81.07055	100.0
83.04975	2.6
83.08134	1.1
83.08617	16.3
85.06524	3.6
85.10168	2.4
91.04958	1.6
91.05477	21.1
93.07041	25.6
95.04968	2.3
95.08604	94.3
97.06526	8.8
97.10166	7.9
99.08100	6.9
104.99242	1.0
105.07022	11.2
107.08587	14.4
109.06525	1.4
109.10154	46.3
111.08089	5.4
111.11750	1.3
113.09653	3.6
119.08589	12.7
121.10140	20.4
123.08092	1.9
123.11711	22.7
127.11202	2.9
133.10135	16.6
135.11684	9.7
137.09572	2.8
137.13249	9.4
141.12732	2.5
147.11673	10.8
149.13283	10.4
151.11212	1.5
151.14821	8.6
155.14264	2.9
161.13255	11.4
163.14832	8.9
165.16402	11.5
175.14841	7.9
177.16389	1.8
179.14365	1.0
179.17909	5.6
181.15900	1.6
189.16325	5.4
191.11804	1.5
207.17456	1.2
212.91299	0.8
217.19511	2.4
245.22652	41.4
263.14731	2.0
263.17880	4.4
263.23694	89.8
264.23947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.02350	1.0
53.03934	1.8
55.01873	1.1
55.05501	15.2
57.03432	1.4
57.07072	10.6
65.03931	2.6
67.05497	82.3
69.06714	1.4
69.07061	18.7
71.04968	2.5
71.08613	6.3
75.74343	1.0
79.05483	21.5
81.07049	100.0
83.04978	2.2
83.08607	15.4
85.06521	3.7
85.10168	2.9
91.05476	16.2
91.59380	1.0
92.23629	1.1
93.06462	1.6
93.07036	23.8
95.04964	1.8
95.08595	85.5
97.06527	6.2
97.10160	6.4
99.08083	6.1
104.99265	8.8
105.07016	10.3
107.08581	15.7
107.63530	0.9
109.06520	2.9
109.10145	48.2
111.08067	3.7
111.11716	1.6
113.09616	2.7
119.04785	1.0
119.08568	11.0
121.10130	17.6
121.49269	1.0
123.08045	4.0
123.11694	20.3
127.11200	2.0
133.10127	14.5
135.11665	10.7
137.09583	1.8
137.13240	8.2
141.12706	2.0
147.04407	1.2
147.11687	10.9
149.13269	8.3
151.11087	1.2
151.14828	6.5
155.14264	1.7
157.10072	1.6
161.13216	11.0
163.14827	8.7
165.16354	9.3
175.14815	6.8
177.16368	2.6
179.17912	5.1
181.15900	1.7
189.16325	3.6
191.18059	1.1
193.15836	1.1
204.13403	1.8
217.19633	1.3
221.18829	1.2
245.08665	1.1
245.22618	37.1
247.11537	4.9
248.12346	3.8
263.14694	37.5
263.23676	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98742	0.4
69.29852	1.9
69.30277	2.8
72.54260	0.4
82.02927	1.0
88.60209	0.4
94.06540	1.9
102.85342	0.4
107.04901	0.4
115.05481	0.7
116.07114	0.9
120.08082	1.3
130.06514	34.7
132.04437	13.7
157.07597	100.0
158.05997	41.5
175.08658	55.3
176.07140	0.4
176.08971	0.8
187.62634	0.4
199.08730	2.5
203.08170	22.6
217.09706	11.1
221.09187	23.5
245.09193	13.2
263.10309	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	263.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14635	2.0
53.03938	3.2
55.01879	9.7
55.05502	31.7
57.03432	13.7
59.04985	6.4
61.02916	10.4
67.05508	13.8
67.05804	2.5
69.03426	29.4
69.07059	10.1
70.96389	4.5
71.01343	4.4
71.04986	90.4
72.08160	2.4
73.02914	11.7
79.05497	16.1
81.03407	14.5
81.07052	23.8
83.04975	17.1
83.08614	17.7
85.02895	100.0
85.06531	3.6
87.04462	5.1
91.03954	5.3
91.05466	15.6
93.07045	20.3
95.04946	16.4
95.08607	16.9
97.02883	27.6
97.06530	11.2
99.04439	6.0
99.08060	5.8
103.03942	2.9
103.05440	3.3
105.07025	15.1
107.04957	2.8
107.08583	10.1
109.02874	10.1
109.06512	11.0
109.10128	3.6
110.80666	2.3
111.04409	5.9
111.08073	30.2
113.06022	3.4
113.09632	7.1
115.03912	5.0
117.07008	4.1
119.08572	7.8
121.06490	8.2
121.10085	4.5
123.04401	2.9
123.08076	14.0
125.05959	2.4
125.09599	7.4
127.03907	20.3
127.07491	4.1
129.06985	2.8
129.09114	15.2
131.08597	4.7
132.49268	2.1
133.04974	4.7
133.10101	6.1
133.42006	2.2
135.08038	13.1
137.09636	5.7
139.07541	31.1
139.11192	3.5
141.09081	25.4
143.08606	3.1
145.04953	22.8
147.04436	2.7
147.08047	4.4
149.09593	5.0
151.07544	22.7
151.11055	2.9
153.09090	6.0
155.10658	3.1
157.10132	2.7
159.08026	2.5
161.09615	2.9
161.13165	2.5
163.06056	3.2
163.11101	3.1
165.09111	3.5
167.10669	7.6
169.08553	10.9
171.10078	2.6
173.09598	3.7
175.07559	4.5
179.10635	6.6
181.12256	2.2
187.09676	4.8
191.10677	6.1
195.08054	3.8
197.11682	4.3
203.10667	8.7
209.11714	14.9
217.12198	4.2
227.10657	4.4
227.12613	12.5
240.32512	2.4
245.11664	7.4
245.13698	4.7
263.09244	2.6
263.12601	3.9
263.17102	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95935	0.6
56.96555	0.8
57.03454	0.7
69.03455	1.3
69.68664	3.9
73.02934	0.8
73.15703	0.5
77.00943	1.1
81.03394	0.6
82.99872	1.3
85.02919	0.6
87.09274	0.6
90.22395	0.6
97.02921	0.7
98.20707	0.9
98.97620	1.1
101.00877	12.0
113.00894	2.1
115.02435	0.9
118.57916	0.6
119.01914	38.2
120.01984	0.8
128.98657	0.8
131.01894	14.2
133.03410	1.4
137.02972	5.6
142.03502	1.0
143.01892	28.4
143.03027	1.5
145.03470	6.8
149.02960	3.6
155.01898	7.4
157.03464	4.6
161.02953	100.0
162.03175	1.2
163.04602	1.2
167.01901	0.8
171.05132	0.6
173.02957	23.9
175.04485	3.3
179.04027	3.9
184.04549	4.0
185.02922	4.0
187.04396	0.7
191.04004	18.8
197.02968	0.7
203.03995	22.4
214.05563	0.9
215.04076	1.2
221.05045	7.2
233.04945	1.7
239.06085	3.2
244.06609	0.7
245.05057	1.7
251.04285	0.8
263.06064	36.6
281.07013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1026
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
71.00928	1.3
82.02937	0.7
82.99861	0.5
83.44595	0.6
91.94495	0.5
94.06561	2.4
116.07138	0.6
120.08126	0.6
130.06519	36.4
132.04453	14.1
133.43614	0.5
135.69366	0.5
146.05966	0.6
157.07608	100.0
158.06010	39.6
158.08046	1.4
159.09171	1.0
164.13606	0.5
175.08667	55.1
176.08949	0.7
185.07162	0.7
199.08601	3.4
201.10269	0.7
203.08151	24.0
204.06560	1.2
204.08453	0.7
217.09724	9.2
221.09209	24.7
245.09227	13.9
245.11763	0.8
263.10330	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	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11162	6.4
51.13551	7.0
56.96554	9.9
67.18960	7.8
69.03432	8.0
69.99747	35.7
71.68026	6.5
81.03407	8.0
85.02918	12.8
86.62391	6.7
93.60072	6.3
97.02877	15.4
98.06015	6.4
98.97562	17.0
101.00885	17.1
119.01180	8.3
119.01905	55.6
127.03873	11.5
131.01872	21.8
131.08711	6.8
133.03500	8.0
134.37399	7.5
143.01878	37.7
145.03491	12.3
155.01874	6.9
161.02965	100.0
173.02910	36.6
175.04555	11.7
185.02898	8.0
191.02255	8.2
191.03853	15.7
203.03966	22.1
263.01688	68.6
263.05893	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05505	0.8
55.93505	0.3
56.05028	0.5
56.96286	0.4
56.96558	5.7
57.03435	1.7
57.07078	0.4
58.06346	0.3
58.06598	1.2
59.04702	0.6
59.04997	10.4
59.07377	0.9
60.04520	0.4
60.07869	0.5
60.08160	8.4
61.02921	0.6
65.03185	0.3
69.03426	2.0
70.06585	0.8
70.21576	0.6
70.21985	0.8
71.04978	0.7
71.24158	0.3
72.93772	0.4
73.02918	1.0
73.06553	0.4
79.05486	0.6
81.03414	1.0
81.07054	0.7
82.06569	1.0
83.04969	1.1
84.04491	0.9
84.08138	1.0
85.02897	100.0
85.06501	0.3
86.03228	0.7
88.03978	0.3
91.05449	0.5
93.07072	0.3
95.04980	0.4
96.04530	0.4
97.02876	2.4
98.97578	3.5
99.04451	0.8
101.06025	0.3
103.03944	0.6
105.07008	0.4
108.04434	0.3
109.02864	0.5
113.98642	0.4
114.05524	1.2
116.07102	0.5
116.98620	3.0
119.01879	1.0
123.33630	0.3
127.03902	1.0
128.02330	0.6
128.07094	1.5
128.98604	0.7
131.99709	0.6
133.06534	0.4
134.97391	0.3
134.99660	1.8
136.07549	0.4
137.05869	0.3
143.00175	0.3
144.10190	3.3
144.98103	0.3
145.01646	0.4
145.04941	13.1
146.05969	0.3
146.99654	1.3
147.03242	0.3
147.04443	0.4
149.01210	0.4
150.00769	0.9
150.96858	0.6
153.00673	0.5
155.04651	0.5
155.08157	0.7
158.99652	1.1
159.06371	0.3
160.95346	0.5
161.01308	0.8
161.02951	1.2
162.04138	0.6
162.99152	1.1
173.02843	0.3
174.11217	0.3
175.02821	0.6
177.00700	2.8
177.04155	0.7
178.01112	0.3
178.96432	0.7
181.00174	0.4
185.08047	2.0
189.00702	0.4
189.04243	0.7
191.03935	0.4
192.83180	0.3
193.03986	0.3
197.05913	0.3
198.04659	1.2
204.12308	0.5
205.00249	0.7
209.57257	0.5
210.07497	1.0
210.57600	0.4
218.07091	0.3
219.01823	0.8
219.96658	1.2
220.97340	0.6
221.03232	0.6
223.01326	1.1
233.19037	0.3
237.02812	1.3
238.03111	0.4
239.57890	0.5
246.11401	0.4
251.04184	0.6
254.54599	0.3
261.58865	1.5
262.06226	0.9
262.16495	61.3
263.16837	1.0
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
53.03931	2.8
55.05265	0.8
55.05508	10.8
57.03426	1.1
57.07083	3.5
65.03918	1.0
67.05501	35.0
69.07068	10.4
70.44650	0.6
71.04970	1.9
71.08612	1.6
71.60692	0.6
77.03893	0.7
79.05490	49.9
81.07051	39.5
83.04959	0.9
83.08612	6.5
83.61392	0.6
85.06532	2.6
85.10146	0.9
91.05477	25.4
93.07039	73.0
95.04965	5.2
95.08605	29.2
97.06514	2.4
97.10130	2.0
99.08086	4.0
105.04503	0.9
105.07031	15.3
107.08589	43.3
108.08887	0.8
109.06487	2.0
109.09445	1.0
109.10149	14.3
110.31030	0.5
111.08079	2.8
112.29233	0.6
113.09602	1.2
117.07009	6.7
119.08575	12.8
121.10133	38.5
123.08089	1.9
123.11686	4.5
125.09634	1.1
129.06911	0.7
131.08560	13.6
133.10136	11.3
135.08057	0.7
135.11679	28.6
137.09598	1.6
137.13252	2.1
145.10112	12.3
147.11653	9.2
149.13254	20.0
149.14282	0.4
149.14490	0.7
153.12758	0.7
157.10175	0.7
159.11690	10.4
161.13243	9.5
163.14812	16.3
165.12726	1.0
173.13243	8.8
175.14796	4.7
177.16380	4.6
179.14296	0.6
187.14804	5.7
191.14331	0.6
201.16382	2.2
205.15895	1.3
215.17990	1.3
217.19530	0.6
219.17430	1.0
233.22675	1.2
243.21082	24.9
243.23607	1.2
261.16483	3.1
261.22131	100.0
262.14304	3.7
262.22513	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.5
53.03934	2.0
55.05260	0.9
55.05508	9.3
56.63728	0.4
57.03423	1.1
57.07069	3.0
65.03922	1.1
67.05502	30.1
69.06718	0.5
69.07066	9.4
69.56799	1.1
69.57223	2.7
71.04980	1.8
71.08601	1.6
77.03903	0.8
79.05490	38.9
81.03452	0.4
81.07055	35.3
83.08619	4.9
84.29121	0.4
85.06532	2.3
91.05479	19.8
93.07039	56.7
94.07359	0.5
95.04987	3.3
95.08602	26.1
97.06538	2.3
97.10162	1.7
98.20766	0.9
99.08075	3.6
105.04482	0.6
105.07022	13.0
107.08590	35.2
109.06493	1.7
109.10150	13.8
111.08076	2.8
111.11723	0.8
113.09608	1.0
117.07015	4.4
119.08575	10.9
121.10135	34.3
123.08033	1.1
123.11717	4.0
125.09598	0.9
127.11115	0.5
130.07799	0.6
131.08563	11.4
133.10124	8.6
135.08066	0.7
135.11690	25.1
137.09581	1.0
137.13252	1.3
139.11156	0.8
145.10112	11.0
147.11688	8.0
148.12123	0.5
149.09564	0.6
149.13252	21.0
151.11221	0.8
151.14772	0.9
153.12669	0.5
159.11678	8.6
161.13249	10.1
163.14809	18.0
165.12732	1.7
173.13261	8.1
175.14812	3.0
177.12770	0.7
177.16379	5.7
179.14320	1.3
185.13257	0.5
187.14795	5.5
189.16467	0.7
191.14326	0.5
201.16371	2.6
201.18033	0.5
215.17894	1.3
217.19522	0.8
219.17400	0.8
233.22623	1.4
243.21068	26.8
244.21214	1.1
261.22131	100.0
262.14307	1.2
262.22427	3.0
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
51.02375	0.3
51.91778	0.4
53.03940	1.8
55.01865	0.7
55.05256	0.7
55.05507	9.5
55.14157	0.3
57.03423	1.2
57.07076	3.1
63.03047	0.4
65.03938	0.9
67.05499	31.1
67.51131	0.4
69.07062	10.4
69.38359	3.7
71.04986	2.4
71.08629	1.0
77.03922	0.6
79.05488	41.7
80.05845	0.5
81.03371	0.3
81.07052	36.1
82.07397	0.4
83.04977	0.7
83.08617	6.1
85.06530	2.3
85.10170	0.4
91.05473	20.5
93.07037	61.1
94.07382	0.6
95.04969	4.2
95.08600	28.5
96.08935	0.5
97.06525	2.8
97.10150	2.0
98.21613	0.7
99.08085	2.8
105.06479	0.3
105.07021	13.3
107.08588	38.3
108.08923	0.5
109.06481	1.8
109.10150	13.1
111.08070	1.9
111.11741	0.6
113.09640	1.1
117.07005	5.8
119.08569	11.6
121.06502	0.5
121.10136	35.0
122.10513	0.4
123.08051	1.1
123.11716	3.6
125.09600	1.1
129.07069	0.4
131.08565	11.9
133.10124	10.7
135.11682	26.8
136.12032	0.7
137.09633	0.9
137.13242	1.2
139.11168	0.8
145.10112	12.3
147.11678	9.4
149.09621	0.6
149.13249	23.8
151.11189	0.8
151.14818	0.6
153.12793	0.7
159.11682	8.4
159.12981	0.4
161.13249	9.3
163.14812	15.3
165.12747	1.0
173.13248	7.9
175.14836	3.4
176.15137	0.5
177.12755	0.4
177.16365	4.5
179.14284	0.9
187.14806	6.4
189.16344	0.5
191.14264	0.7
194.21619	0.5
201.16362	2.4
205.14159	0.4
205.15903	0.8
215.17897	1.7
217.19463	0.6
219.17456	0.8
233.22656	1.4
243.21071	24.9
244.21460	1.0
261.22122	100.0
262.22507	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03934	1.7
55.01868	0.8
55.05252	0.6
55.05508	9.4
57.03431	1.2
57.07069	2.8
65.03937	1.3
67.05501	28.3
68.05847	0.4
69.04087	0.3
69.07063	10.0
69.45339	0.6
69.45744	2.2
71.04988	1.7
71.08619	0.9
77.03908	0.6
79.05489	40.5
80.05806	0.4
81.07053	34.7
83.04984	0.7
83.08614	4.9
85.06530	2.8
91.05474	18.7
93.07038	56.0
94.07370	0.6
95.04970	4.0
95.08601	27.1
96.08929	0.5
96.27036	0.3
97.06496	2.4
97.10167	1.9
99.08078	2.3
105.04528	0.6
105.07025	13.9
107.04958	0.5
107.08587	36.1
108.08955	0.4
108.41338	0.3
109.06519	1.9
109.10152	9.9
111.08080	2.5
111.11720	0.6
113.09661	1.1
117.07019	5.6
119.08575	11.7
121.10135	34.1
122.10461	0.6
123.08083	1.2
123.11704	3.8
125.09610	0.9
128.36876	0.3
129.07021	0.6
131.08560	11.1
133.09096	0.6
133.10117	9.2
135.08093	0.5
135.11684	26.8
137.09598	1.7
137.13232	1.5
139.11168	0.4
143.08568	0.4
145.10118	10.4
147.11690	8.2
149.09634	0.4
149.13246	19.3
151.11168	0.9
151.14812	0.6
153.12683	0.5
159.11684	8.5
161.13254	9.3
163.11201	0.5
163.14812	16.4
165.12790	0.6
167.14432	0.4
171.11649	0.3
173.13257	7.4
173.14682	0.6
175.14824	2.9
177.12750	0.5
177.16365	4.1
179.14302	1.3
187.14809	6.0
189.16312	0.4
201.16335	2.4
205.15807	0.5
215.17889	1.6
217.19487	0.6
219.17462	0.9
233.22673	1.6
243.21069	26.2
244.21385	0.8
261.22122	100.0
262.22488	2.9
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	Dinortrixagone
Peak:m/z	Relative Intensity
50.95412	0.3
51.02369	0.4
53.03942	1.4
55.01867	0.4
55.05505	8.9
57.03441	0.8
57.07068	2.7
65.03932	1.0
67.05499	29.6
69.07061	9.0
69.44543	2.4
71.04992	1.8
71.08621	1.4
77.03889	0.6
79.05487	38.3
80.66360	0.2
81.07051	34.0
83.04977	0.7
83.08617	5.2
85.06538	2.2
85.10194	0.4
91.05473	17.9
93.07037	51.3
94.07408	0.5
95.04967	3.9
95.08599	25.9
97.06513	2.4
97.10169	2.1
99.08069	2.8
105.04536	0.5
105.06296	0.3
105.07021	12.9
107.08588	34.5
108.08916	0.7
108.81062	0.2
109.06520	1.3
109.10150	10.5
111.08083	1.7
111.11686	0.4
113.09636	0.9
117.07011	4.9
119.08572	10.3
121.10137	32.3
122.10467	0.5
123.08070	0.9
123.11691	4.0
125.09623	0.9
127.11178	0.4
129.07054	0.5
130.07773	0.3
131.08556	11.0
133.09123	0.4
133.10121	9.3
135.08083	0.5
135.11682	26.7
136.11996	0.3
137.09579	1.5
137.13239	1.2
139.11211	0.8
144.09332	0.3
145.10117	9.9
147.11681	9.6
149.09576	0.4
149.13245	21.1
151.11169	0.8
151.14810	0.5
153.12761	0.7
158.59323	0.3
159.11688	7.9
161.13249	10.1
163.11230	0.6
163.14812	15.0
165.12767	0.9
171.08728	0.3
173.13249	7.7
175.14818	3.5
177.12744	0.5
177.16383	4.2
179.14290	1.3
187.14803	5.7
189.16354	0.6
191.14261	0.6
201.16382	3.0
203.17926	0.5
205.15909	0.6
215.17938	1.4
217.19626	0.6
219.17372	0.7
233.22653	1.0
243.18460	0.6
243.21069	26.1
261.22119	100.0
262.22510	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03944	1.0
55.01869	0.5
55.05507	10.3
57.03427	0.9
57.07072	2.8
59.04969	0.4
65.03941	1.0
67.05500	29.7
69.07065	8.3
71.04996	1.5
71.08617	1.1
73.37524	0.3
77.03910	0.6
79.05489	37.5
80.05811	0.3
81.03441	0.4
81.07051	34.2
83.04980	0.8
83.08619	5.5
85.06529	2.6
91.05473	18.7
93.07039	52.8
95.04962	4.1
95.08601	25.3
95.09240	0.7
97.06527	2.8
97.10168	2.3
99.08080	3.1
105.04522	0.6
105.07026	12.6
107.08587	33.6
108.08945	0.4
109.06516	1.7
109.10152	11.5
111.08074	2.6
113.09659	0.9
117.07018	4.9
119.08574	12.3
121.10138	31.7
122.10497	0.4
123.08067	1.3
123.11687	4.1
125.09641	0.8
127.11192	0.4
129.07034	0.4
130.07793	0.6
131.08562	10.3
133.10124	9.8
135.11685	25.8
136.12057	0.3
137.09596	1.3
137.13255	1.4
139.11198	0.7
143.08594	0.3
144.09373	0.4
145.10115	10.7
147.11682	8.7
149.09618	0.5
149.13251	21.4
151.11171	0.9
151.14798	0.8
153.12704	0.8
159.11693	7.5
161.13254	10.3
163.11234	0.4
163.14810	16.2
165.12723	1.0
173.13258	7.9
175.14824	3.9
177.12717	0.4
177.16396	4.7
179.14279	1.0
187.14798	5.7
189.16360	1.0
191.14284	0.7
193.15807	0.5
193.36978	0.4
201.16389	2.6
203.17952	0.4
205.15855	0.6
212.94470	0.3
215.17921	1.4
217.19534	0.6
219.17413	0.9
233.22560	1.1
240.10162	0.3
243.21074	29.5
244.21474	0.8
261.22125	100.0
262.22464	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35313	1.3
52.67796	1.4
54.07747	1.3
55.05489	3.1
56.96551	5.0
57.03424	3.8
57.07086	8.2
57.07301	1.6
60.57891	1.4
67.05485	3.3
69.07056	4.1
69.77692	4.1
69.78110	5.4
70.06593	8.6
71.04953	1.9
71.06907	2.1
73.06538	3.0
74.56936	1.4
79.05474	2.5
81.07034	6.6
83.04939	2.2
83.08568	1.8
85.02866	2.4
85.06495	2.1
88.07632	11.7
89.07948	3.3
91.05463	4.5
93.07013	6.3
95.08595	7.1
97.02876	1.8
102.09113	1.7
105.07005	5.1
106.08639	6.7
107.04935	1.8
107.08505	1.7
109.06519	1.4
109.10125	2.7
111.04459	2.6
115.05436	2.3
116.98569	1.6
117.06963	3.3
119.08550	5.0
121.06512	1.4
121.10127	3.2
123.04436	1.8
128.06215	5.6
129.06990	6.0
130.06516	2.3
131.08545	4.5
133.10062	2.5
134.99663	1.5
135.11656	3.3
141.06963	6.3
143.08560	10.3
145.06436	7.6
145.10077	4.8
147.08044	4.5
149.05965	1.8
151.02005	1.5
153.07004	4.3
154.07793	7.1
155.08554	15.8
157.06496	4.3
157.10121	2.7
158.05983	3.4
159.04373	2.0
159.08008	4.4
159.11729	3.8
161.05969	10.1
163.07568	5.0
165.06963	2.3
168.09309	1.9
169.06474	4.4
171.08028	13.2
173.05946	17.5
173.07162	2.5
173.09615	3.4
173.13297	2.9
174.06824	1.9
175.07542	12.1
177.09123	2.4
181.06473	3.5
182.07239	9.9
183.08073	4.6
183.11647	11.0
184.08859	4.0
185.09656	3.4
185.13132	7.7
187.07564	10.7
188.08302	11.0
189.09105	24.7
193.10143	2.2
199.07596	1.7
200.08330	4.4
201.09132	4.7
202.09908	3.3
203.10674	3.0
211.11139	20.5
213.12657	7.2
215.10722	1.8
219.10188	5.8
229.12259	16.7
231.13786	61.9
243.25099	6.2
261.04013	1.9
261.07355	2.7
261.14856	10.1
261.18655	3.6
261.26169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
55.05499	7.5
56.96544	8.5
57.07055	8.4
67.05496	4.3
69.07043	8.1
70.05327	14.9
70.06577	8.2
71.04999	2.7
71.06927	3.4
73.06548	4.4
79.05470	7.4
81.07049	11.6
83.08605	2.9
85.06519	3.7
88.07603	7.3
89.07967	3.3
91.05462	9.7
93.07016	12.2
94.09196	2.3
95.08598	12.6
97.06507	3.6
98.97557	2.9
100.43711	3.0
102.09200	3.5
105.07016	10.2
106.08656	4.2
107.08589	10.3
109.10149	7.9
111.04374	4.0
115.05441	5.8
117.07007	11.0
119.08559	9.4
121.10136	11.9
128.06206	5.7
129.06990	9.4
130.84395	2.5
131.08522	8.3
133.06459	3.2
133.10121	10.8
135.11679	7.0
141.06982	12.6
142.07797	3.0
143.08548	18.7
145.06476	11.4
145.07567	4.2
145.10132	7.8
147.04416	2.9
147.08025	3.9
147.11702	7.5
149.13237	3.5
153.06955	7.6
154.07751	9.8
155.08582	23.0
156.09273	3.3
157.06445	7.7
157.10109	8.2
158.05885	3.6
159.08049	7.8
159.09315	2.6
159.11726	6.1
161.05956	10.8
161.13217	3.7
163.07520	8.0
169.06459	12.1
171.08015	21.8
173.05974	29.0
173.09659	5.5
173.13216	6.2
175.07513	17.4
177.05389	3.0
181.06479	5.5
182.07246	12.5
183.08090	8.7
183.11639	17.7
184.08817	4.9
184.68507	2.8
185.09596	7.0
185.13240	13.2
187.07593	13.0
187.11203	3.3
187.14720	3.0
188.08348	15.9
189.09140	27.4
190.10075	3.0
193.10056	3.6
197.09651	4.2
200.08304	9.9
201.09100	14.0
201.16376	3.4
202.10030	5.8
203.10683	6.1
203.18005	6.3
205.08395	2.8
211.11189	33.6
213.12697	9.8
215.10687	8.2
219.10271	4.7
229.12233	34.5
231.13783	74.9
243.10115	4.9
243.21112	6.4
243.25165	7.9
261.03754	3.4
261.07339	4.7
261.11224	6.9
261.15149	9.9
261.18634	4.5
261.22009	8.7
261.26175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01860	2.9
55.05505	100.0
56.96556	2.6
57.03437	5.4
57.07074	1.7
61.02921	2.6
68.68044	1.0
69.03423	9.3
69.07052	2.3
71.01351	2.1
71.04980	7.0
71.43882	1.4
71.44220	2.1
72.93777	2.1
73.02625	0.9
73.02917	9.7
79.05481	7.2
81.03401	3.3
81.07047	41.2
83.04945	1.5
83.08611	55.8
85.02895	20.3
85.06513	1.2
86.09705	1.2
90.94797	1.5
91.05459	1.9
93.07009	1.6
95.01299	1.8
95.04958	1.8
97.02896	10.0
98.97592	2.8
98.98466	1.4
99.04472	1.7
99.05569	1.3
99.08065	8.9
105.07011	1.6
105.33989	1.0
108.95824	1.3
109.06464	1.5
115.03931	8.5
116.98591	2.4
117.07033	1.3
121.06481	1.2
125.02328	4.6
127.03940	2.0
128.98599	2.0
130.06538	1.9
131.08598	1.5
133.04944	18.3
134.99641	3.1
137.05823	1.3
145.04970	2.7
146.05913	1.2
148.95314	2.1
158.05984	2.8
161.01230	1.0
166.96353	2.0
179.05533	1.6
187.07570	2.0
201.05482	4.1
215.07031	2.2
225.11267	1.2
237.02840	2.3
243.06422	1.6
261.03778	1.3
261.07538	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17753	1.1
51.82483	1.0
53.03939	3.3
55.01862	3.1
55.05508	100.0
56.96559	3.8
57.03439	6.5
57.07061	3.3
59.29962	1.2
61.02919	2.7
62.24113	1.0
62.29774	1.0
67.05495	3.4
69.03423	6.5
69.07057	3.2
70.39104	4.3
71.01360	2.7
71.04984	4.4
72.93768	2.3
73.02915	10.9
79.05491	7.2
81.03434	2.5
81.07052	36.9
83.01353	1.3
83.04989	1.9
83.08614	49.8
84.04499	1.7
84.08147	1.5
84.96040	1.3
85.02896	27.4
86.09693	3.1
87.04442	1.3
90.94796	6.8
91.03867	1.4
91.05447	1.6
95.01315	2.7
95.04936	2.1
97.02893	8.1
98.97572	4.3
98.98466	2.3
99.04466	1.5
99.05523	1.1
99.08083	7.3
101.06042	1.2
103.03922	1.3
105.07034	1.4
107.04948	1.6
108.95850	7.1
109.02869	2.3
115.03896	7.6
116.98601	4.5
117.07003	1.3
125.02338	6.0
127.03934	3.1
131.08580	1.3
133.04955	16.2
133.10144	1.6
134.99673	2.4
141.01817	5.0
145.04884	1.6
146.99579	1.9
147.04396	2.3
148.95326	4.4
155.04666	1.3
158.05978	2.0
161.09645	1.9
166.96370	6.3
173.05936	2.0
174.05484	1.6
177.00711	1.8
179.05463	1.8
183.02992	1.4
187.07477	1.9
189.00734	2.1
189.09090	1.4
197.06020	1.9
201.00624	1.6
201.05438	2.3
202.04836	1.3
215.07014	3.9
219.01930	1.6
221.01022	2.4
237.02794	2.9
243.21097	1.3
257.95627	1.2
261.07443	4.6
265.05911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
55.01873	4.9
59.16413	0.9
61.02917	2.4
69.03407	4.0
69.99512	4.4
70.99915	1.0
71.01331	3.0
79.05473	2.4
85.02877	1.3
85.14767	0.8
91.05476	18.5
93.06999	1.5
95.08588	1.6
95.10242	1.0
97.02891	12.1
103.05427	1.2
105.07031	2.8
107.04964	3.4
109.10125	1.1
113.94324	1.1
115.05422	3.2
117.07008	7.6
118.04148	1.5
119.04951	1.2
119.08575	14.2
125.85832	1.1
128.06210	10.7
129.06978	6.4
130.27771	1.1
131.04913	15.8
131.08543	3.7
132.05678	4.2
133.06381	1.3
141.06955	3.6
143.08534	4.8
144.05679	3.3
145.06493	10.1
145.10138	1.4
147.08037	100.0
148.08354	1.1
152.17404	0.9
153.06947	2.1
154.07692	1.5
155.06067	1.1
155.08510	2.4
156.05695	4.5
157.06494	2.7
158.03635	8.3
158.07239	1.1
159.08052	6.3
160.05174	7.8
161.05931	3.9
161.09589	0.9
165.07056	1.4
169.06459	2.1
171.04430	2.1
171.08041	83.1
173.05954	4.3
173.09615	5.0
174.06786	2.2
175.03893	1.7
179.08530	1.9
183.08063	3.6
184.05220	2.4
185.09660	1.4
187.07564	1.6
197.06010	1.9
197.09593	10.7
199.07506	14.5
200.08305	1.7
201.09116	10.4
202.06227	3.9
213.09085	2.8
215.07050	1.7
215.10651	3.8
225.09035	7.5
231.10190	12.7
243.10159	14.1
261.11203	36.9
261.25674	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
50.23030	0.9
50.59012	0.9
52.74923	1.0
53.36671	0.9
55.01860	3.1
55.05491	0.9
61.02921	2.1
69.03408	2.8
69.07056	1.3
69.97283	0.8
70.44698	4.1
71.01339	2.1
79.05505	2.4
79.55814	0.9
81.03455	0.9
81.07034	1.2
85.02895	1.2
91.05476	18.2
93.07035	1.1
95.08582	1.4
97.02895	12.4
105.07014	2.5
107.04925	3.0
107.08591	1.0
115.05449	3.0
117.07021	6.8
119.08572	15.7
126.25608	0.9
128.06218	11.6
129.07022	7.3
131.04910	15.0
131.08528	3.8
132.05695	4.0
133.06424	1.6
141.07002	5.9
143.08540	5.2
144.05695	3.2
145.06494	11.0
145.10100	1.5
147.08041	100.0
148.08398	1.0
152.15453	0.9
153.07002	2.9
154.07739	1.5
155.08519	1.6
156.05711	3.3
157.06487	3.9
158.03650	6.0
159.08072	5.2
159.11665	1.0
160.05206	9.6
161.05946	4.2
169.06477	3.0
169.10091	1.6
171.08043	86.1
173.05980	2.5
173.09613	4.5
174.06805	2.0
175.07576	1.8
179.08493	1.9
183.08037	2.0
184.05193	3.7
185.06021	2.6
185.09601	2.7
187.07512	2.9
197.05971	1.1
197.09631	10.1
199.07559	13.9
200.08316	2.8
201.05388	1.0
201.09105	10.1
202.06219	4.2
213.09077	2.7
215.06996	1.5
215.10481	1.8
220.03674	1.5
225.09096	7.3
231.10146	14.9
243.10194	14.2
261.04767	1.0
261.07614	7.0
261.11206	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06317	0.7
55.01858	1.1
55.05501	3.5
56.05054	0.7
56.96553	2.7
57.07072	0.9
58.68796	0.7
65.03947	0.8
65.60804	0.7
66.34713	0.6
67.05492	1.9
69.03419	2.2
69.07073	2.1
71.01316	1.0
71.04983	1.6
71.58105	1.2
73.02911	1.4
81.03384	1.2
81.07050	2.8
82.02909	0.9
83.04955	1.1
83.06100	2.2
83.08621	1.5
84.04498	9.8
84.08140	0.8
85.02906	4.1
85.06533	1.0
86.09692	8.9
87.10045	1.6
91.05460	1.4
94.06539	1.0
95.04946	1.0
97.02890	2.3
98.97565	2.7
99.04446	2.0
99.05585	1.0
102.05573	1.5
103.05482	1.3
111.04436	0.8
113.06036	1.0
113.11462	0.8
115.05439	2.4
116.98608	3.0
119.04932	2.0
121.06466	0.8
124.04655	1.0
127.03931	1.3
128.04991	2.2
130.06520	42.7
131.04921	1.0
132.04431	9.4
132.10222	3.2
134.99661	1.1
143.34921	0.7
145.06487	2.2
145.07629	2.2
146.05992	21.4
146.07080	1.5
146.99666	1.9
147.04427	1.4
150.96948	0.9
153.05508	0.8
155.04922	1.2
155.06071	1.9
156.04439	13.8
157.06374	1.1
157.07611	12.1
158.06009	100.0
160.08719	5.7
165.07951	1.2
169.06505	1.0
172.04172	1.8
172.07555	1.0
173.07111	45.3
174.05502	34.6
174.07056	1.3
175.08672	10.4
177.00702	1.1
182.56703	0.8
187.07587	2.0
190.05042	1.2
197.06039	2.3
197.12900	3.7
198.13219	1.6
201.00725	1.4
201.06836	6.4
202.04980	24.9
215.08493	7.7
216.07658	2.4
217.09750	5.2
219.01790	1.0
219.07703	12.9
228.04199	1.2
237.02815	2.8
243.06812	2.3
243.07394	2.3
243.13393	3.2
243.15395	2.3
244.13844	1.4
249.24904	0.8
261.03940	1.2
261.07278	1.4
261.09631	4.5
261.12454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05495	4.2
56.96560	12.6
57.03420	5.2
61.02907	4.9
69.03413	5.2
69.42670	12.3
70.06236	1.1
70.06585	3.3
71.04957	2.4
72.08145	2.3
73.02902	2.6
81.03433	2.8
81.04533	3.8
81.07048	2.6
83.04982	1.6
84.04490	3.8
84.08135	6.0
84.96027	2.6
85.02899	8.0
86.09689	5.1
97.02870	5.0
98.97585	8.6
99.04468	8.2
99.05531	6.3
101.00848	1.2
103.02443	2.4
104.10706	4.0
109.02869	2.1
110.97517	2.5
115.05484	1.5
116.98612	8.2
117.82611	1.4
119.01924	7.5
127.03904	3.6
128.98582	3.0
130.05023	1.7
130.06523	17.3
131.00160	4.7
131.01816	2.2
132.04422	4.3
133.03450	3.4
134.99625	5.5
137.02948	1.5
137.05914	1.9
145.03453	2.5
145.07611	2.2
145.10115	1.4
146.06021	9.4
146.99577	4.0
147.01352	1.7
149.01199	3.1
151.04469	1.8
153.18517	1.3
155.01878	1.7
156.04453	6.3
157.07594	4.0
158.06010	45.3
158.99603	2.7
161.01300	2.5
161.02924	3.3
163.08678	2.3
165.00694	2.6
169.01155	2.0
170.99652	1.8
171.02658	1.6
173.01309	1.4
173.02916	3.3
173.07101	23.5
174.05479	12.6
175.02789	3.2
175.04472	1.5
175.08676	2.6
177.00677	4.2
180.04564	2.4
187.15044	1.3
188.55055	1.6
189.00713	2.6
189.02458	1.9
191.02289	1.5
191.03944	2.2
193.03683	1.4
200.09181	1.8
201.00706	3.1
201.03693	3.5
201.06636	2.2
202.04980	10.7
215.00381	1.7
215.08107	4.8
217.09650	1.8
219.01727	7.8
219.03516	2.2
219.07620	4.5
221.05080	1.7
223.01199	1.5
229.03165	25.1
229.04965	2.2
237.02783	7.4
243.04675	3.4
243.07510	3.6
246.88600	1.2
260.57242	7.7
261.05801	100.0
261.09177	8.8
261.13852	2.1
279.03870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
56.05029	1.9
56.60458	1.1
56.96562	13.8
57.03424	2.7
59.05004	1.5
61.02938	2.6
69.03438	5.9
69.07058	1.9
69.74770	6.8
70.06572	2.4
71.04995	1.7
72.08173	1.7
73.02919	3.8
81.03410	3.0
83.04975	1.8
83.88647	1.1
84.04512	2.6
84.08141	31.5
84.96053	3.8
85.02909	8.6
85.08473	2.5
86.09707	15.5
87.04455	2.4
96.04509	1.5
97.02895	5.7
98.06036	1.8
98.12837	1.0
98.20766	1.2
98.97585	22.9
99.04472	1.7
101.00896	2.2
110.97591	4.3
112.99149	2.5
113.03481	3.9
115.02462	1.7
115.03947	1.3
115.08709	1.6
116.07140	1.0
116.98611	15.4
119.01926	5.1
127.03913	3.6
128.98599	7.0
130.05028	1.5
130.08629	13.2
131.00159	3.9
131.01895	2.6
133.03496	3.5
134.99657	6.7
137.02986	1.1
140.98590	2.7
143.00171	2.3
146.99628	5.3
148.03889	4.2
148.06044	1.4
148.07898	1.3
149.01210	4.1
149.62840	1.2
158.99654	4.6
159.05096	1.9
159.54788	1.2
161.01283	3.8
161.02968	4.1
162.99170	1.2
165.00700	1.3
167.54480	1.5
168.98079	1.9
170.99687	3.4
171.05028	2.2
172.04437	1.2
173.01262	2.0
173.02890	2.3
175.90604	1.5
177.00714	5.8
180.04602	1.2
186.99168	4.7
188.54878	1.5
189.00784	5.4
191.02263	2.0
195.01881	2.0
195.04738	5.1
197.12866	1.2
201.00735	2.6
201.03647	2.0
203.04074	1.6
207.01855	1.4
212.09215	1.8
213.05936	1.2
215.17505	1.9
219.01782	10.3
221.05093	4.4
225.12337	1.7
229.03148	25.9
230.10327	1.4
231.07227	1.2
237.02823	18.4
243.04784	4.3
243.13487	2.1
251.04312	1.4
255.03993	1.8
261.03085	5.4
261.05838	100.0
261.09415	62.4
261.14554	5.6
261.18033	6.3
262.05890	1.4
278.96838	1.3
279.03827	5.3
279.09369	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	261.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07221	0.9
55.01850	1.0
55.05504	2.0
56.96560	50.4
57.03439	1.2
58.06586	1.0
69.03408	3.9
69.80993	5.2
70.06562	1.4
71.04989	1.0
71.95255	1.2
72.08146	1.0
73.02906	1.8
74.97601	1.6
81.03415	2.3
81.07066	1.2
84.04499	6.6
84.08118	3.7
84.96017	4.0
85.02904	5.6
85.08481	1.0
86.09702	51.2
87.04458	1.1
95.04930	1.0
97.02872	3.8
97.06509	1.1
97.96768	1.0
98.97572	12.7
99.04426	1.9
102.05537	1.7
102.97013	0.9
109.02834	1.4
110.97555	1.8
111.04419	1.4
112.99087	1.3
115.00690	1.5
116.98621	10.2
119.01855	1.6
127.03909	2.3
128.98601	5.2
130.04976	2.3
130.06496	2.0
130.08614	1.3
131.00125	1.5
131.01823	1.0
132.10211	1.0
133.01686	2.6
133.03400	1.0
134.99652	6.8
137.05965	2.8
139.00664	1.8
140.98566	11.8
143.00191	2.2
146.99608	4.6
148.06033	9.7
149.01164	2.3
153.00647	0.9
157.01709	9.8
158.05989	5.2
158.99644	45.1
161.01193	2.7
170.99678	1.6
173.01233	1.3
173.07166	2.1
174.05597	1.6
175.02779	90.6
176.03139	1.4
177.00699	52.8
182.01283	1.7
182.99677	2.4
189.00688	3.8
189.02315	0.9
189.04118	1.7
191.02225	1.7
193.03833	83.6
195.01785	4.8
198.04434	4.1
200.02396	1.5
201.00685	30.1
201.02524	2.1
202.05106	1.2
207.01707	1.3
211.04860	1.5
216.05443	2.4
219.01743	100.0
224.02319	2.5
229.03165	2.8
237.00420	2.0
237.02806	37.9
242.03484	4.5
243.01907	1.5
243.04845	1.6
243.13060	1.3
252.57320	1.0
255.03789	1.1
260.04306	2.0
261.02914	6.7
261.05801	28.6
261.09418	12.3
261.14108	6.8
279.03806	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	261.0305
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96561	1.3
70.06709	0.9
82.99881	0.2
93.42839	0.2
98.96931	0.2
98.97569	3.5
101.00856	0.8
108.03335	0.1
116.98608	4.5
118.98212	0.2
119.01910	6.8
120.02068	0.3
122.97863	0.2
134.99660	3.7
137.02951	2.7
138.98965	0.2
142.03523	0.3
146.99612	0.3
149.46358	0.2
153.00754	0.7
158.99794	0.6
161.01212	0.2
161.02872	0.3
165.99713	0.3
170.99770	0.2
175.03041	0.2
177.00943	12.7
178.01079	0.5
180.92448	0.2
182.99826	0.4
189.00702	0.3
195.01970	0.4
200.02545	0.2
201.00797	0.8
217.04048	2.2
218.03645	0.3
219.01990	20.0
220.02066	0.9
221.01791	1.0
225.00818	2.4
228.86996	0.2
237.02852	0.5
237.98692	0.6
238.98302	0.3
242.03548	0.5
242.98364	0.3
243.01949	7.0
247.00714	0.2
249.02745	0.2
260.04608	0.3
261.03040	100.0
262.03159	5.0
263.03464	0.5
266.03653	0.4
275.04587	0.2
278.97141	0.3
279.00555	4.4
279.03564	0.3
284.04630	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	260.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02216	0.2
55.56342	0.2
56.96292	0.2
56.96561	4.8
57.03413	0.3
57.82196	0.2
60.04499	0.2
61.02923	0.3
61.10301	0.2
68.78531	0.2
69.03397	0.6
70.38797	0.8
72.41074	0.2
73.02925	0.3
74.97614	0.4
82.99852	0.2
84.04480	0.2
84.08131	0.7
84.96016	0.9
85.02890	0.6
96.04438	0.2
97.02878	0.8
98.96918	0.5
98.97573	9.3
101.00878	2.2
102.96956	0.2
103.02458	0.2
110.97560	0.7
116.98608	9.0
117.98981	0.4
119.01911	14.7
120.02001	1.4
121.01669	0.3
128.98592	1.0
129.02211	0.2
131.00134	0.3
131.01920	1.2
133.03444	0.5
134.01527	0.3
134.98608	0.4
134.99652	8.0
135.49776	0.5
135.99641	1.2
137.01945	0.4
137.02942	4.9
138.02960	0.5
139.00784	0.6
142.03491	0.5
143.00166	0.3
143.01891	1.9
144.01912	0.3
145.03450	2.2
146.99629	1.1
148.01312	0.3
149.01172	0.4
153.00723	1.5
155.01872	0.4
156.97397	0.3
157.03441	0.8
158.01277	0.5
158.99666	1.3
159.01434	0.2
160.01283	0.3
160.04527	0.3
160.99702	0.2
161.01210	0.9
161.02927	5.3
162.03044	0.4
162.97581	0.3
162.99115	0.3
163.04437	0.3
165.99464	0.3
169.00172	0.4
169.01711	0.3
170.99815	0.7
171.01361	0.9
173.01331	0.4
173.02937	1.1
175.03058	0.3
175.04504	0.5
177.00932	14.7
178.00931	0.4
178.02388	0.3
180.00499	0.3
181.26854	0.2
182.99886	0.3
184.04559	0.4
185.02968	0.4
186.98941	0.3
189.00751	1.0
189.02437	3.4
190.51025	0.3
191.02348	0.4
191.03967	0.8
193.04004	0.3
195.01830	0.5
200.02539	0.4
201.00854	0.9
201.02425	1.0
203.03998	0.7
207.01730	0.3
208.48370	0.3
210.01784	0.2
212.00340	0.4
212.04080	0.2
213.00366	0.3
213.99823	1.2
214.96585	5.3
215.03955	0.3
216.98322	0.3
217.00450	0.2
217.02303	0.3
217.04108	2.8
217.52388	0.2
219.01968	22.6
220.02139	0.8
221.01740	0.4
221.05035	2.9
222.94902	0.3
225.00769	2.2
225.99770	0.4
226.03175	0.4
226.46384	0.2
226.48793	0.4
226.98764	0.4
228.03128	0.3
228.53200	0.3
232.93117	0.5
232.96559	0.6
233.05232	0.3
235.00409	0.3
235.50908	0.3
235.99361	0.4
236.98627	0.7
237.02815	1.6
237.98645	5.4
238.98416	0.7
240.05801	0.4
242.03389	0.5
242.98364	0.4
242.99269	0.4
243.01917	6.8
243.04230	0.3
243.99785	0.3
246.49710	0.5
246.99829	1.0
248.94365	0.3
249.04729	0.3
250.94057	0.5
255.98164	0.3
256.96600	0.4
261.03021	100.0
262.03207	1.9
263.03348	0.4
266.03708	0.7
273.94461	0.3
274.97690	0.3
277.00864	0.4
278.97305	0.5
279.00662	4.1
279.03494	0.3
279.05728	0.6
284.04614	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	260.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15606	0.6
53.57798	0.6
55.01867	3.1
55.02093	0.6
55.05509	1.6
56.96558	1.3
57.03421	4.1
58.11202	0.5
67.05506	1.2
69.03419	11.5
69.07055	1.7
69.75124	0.7
70.06608	0.6
71.58398	1.3
73.02895	1.0
79.05488	3.4
80.05027	0.7
81.07040	2.6
82.06584	1.3
83.04967	1.0
83.08624	1.1
84.04477	1.2
84.08136	1.3
85.02888	1.3
86.06052	1.8
87.04456	5.4
95.04974	0.6
96.08128	10.5
97.02876	1.4
97.06512	7.7
98.03243	0.8
98.97569	1.3
100.04004	0.8
107.04916	1.0
109.02881	1.0
114.09158	1.0
115.03934	1.0
116.98595	0.8
118.12728	0.6
120.08089	0.6
121.10145	0.8
124.07584	25.0
124.08486	1.5
125.05985	18.1
134.99626	0.6
142.08624	100.0
156.10190	19.8
156.11469	1.0
157.08627	5.7
166.08630	1.9
168.06557	2.4
174.11249	29.0
179.10669	0.8
182.06966	0.9
189.21452	0.6
199.38036	0.6
200.09235	3.2
203.07635	0.7
204.13841	1.1
210.11234	14.8
228.12323	4.1
242.13876	5.1
260.09027	1.4
260.12466	1.0
260.14951	16.8
261.12384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05507	12.6
57.07067	5.2
67.05495	15.3
69.07066	43.9
70.67346	9.0
70.67734	10.8
71.04996	28.7
79.05509	5.8
81.07064	28.1
83.04984	6.6
83.08620	14.0
85.06523	29.7
91.05477	12.1
93.07027	15.7
95.08614	31.5
97.06557	7.2
99.15910	4.3
99.46264	6.0
100.73243	5.2
105.03386	12.9
105.07028	31.6
107.08585	23.7
109.06468	8.6
109.10137	15.0
111.08038	23.4
117.07052	12.0
119.08579	71.7
121.10138	18.1
123.11707	35.8
129.07086	5.7
131.08572	14.6
133.10149	42.3
135.08047	24.6
135.11646	10.9
137.09598	5.4
143.08549	9.6
145.10112	27.9
147.11693	24.1
149.13254	5.6
156.09337	5.8
157.10144	15.3
159.11702	34.5
161.09659	5.3
161.13271	34.8
171.11687	15.2
173.13287	8.8
175.11223	12.5
175.14818	99.4
176.15593	7.8
177.16254	6.4
185.13242	17.1
199.14833	9.3
199.19798	4.7
201.16377	31.5
203.14296	13.6
215.17920	5.8
241.19588	21.4
259.11102	5.0
259.14645	17.3
259.20560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22912	0.5
55.01852	2.1
55.05506	2.8
56.05034	0.8
56.96294	0.5
56.96559	7.8
57.03421	2.2
57.07081	3.9
58.02953	6.0
59.04988	0.9
60.04487	0.6
61.02901	1.5
64.84442	0.4
67.05489	1.0
68.05021	4.6
69.03075	0.8
69.03425	12.0
69.89736	1.8
69.90144	0.9
70.06570	1.5
71.01328	0.5
71.04978	1.4
72.08138	0.9
73.02904	2.3
74.02414	0.6
79.05494	0.6
81.03391	1.6
81.07020	0.7
82.06570	9.8
83.04961	2.0
84.04486	2.1
84.08124	4.8
84.95997	0.7
85.02894	3.4
85.08469	2.4
86.09673	0.7
87.04454	0.8
91.05413	0.6
92.60627	0.5
94.06529	0.6
95.04976	0.7
96.04465	1.3
97.02882	8.1
98.97572	4.1
99.04449	1.2
100.02180	1.3
100.03967	1.2
100.07609	3.1
101.06010	3.9
109.02845	1.2
109.07630	0.7
110.03259	0.4
110.06038	4.7
110.97536	1.0
111.04443	1.2
111.05538	0.6
111.09193	0.8
112.07543	0.6
114.09157	24.3
116.98618	3.1
119.01891	1.8
120.04442	0.4
124.07591	3.1
126.05486	0.5
126.09135	1.8
126.25588	0.4
127.03880	2.0
127.08634	1.3
128.02245	0.5
128.07042	1.9
128.98561	1.4
129.05490	0.5
129.10237	2.8
130.04982	0.5
130.08618	1.0
130.10594	2.1
130.12045	0.5
131.00189	0.7
132.06535	1.0
133.01654	0.7
133.03445	1.0
134.99617	2.2
137.02094	0.5
137.02991	0.5
137.05939	1.1
137.10733	1.5
138.05487	1.5
138.09142	2.7
141.10222	6.9
142.08618	46.4
143.01556	0.6
143.08702	0.6
145.04948	0.7
146.02655	1.4
146.99623	1.3
147.04405	0.6
149.01137	1.0
152.07039	1.1
153.10220	1.1
154.08611	2.5
155.08109	3.2
156.06520	0.7
157.01750	0.5
158.99593	2.2
167.11749	0.6
170.05141	1.0
170.55199	0.5
171.01076	1.9
174.99150	0.9
175.02757	2.7
175.04309	0.6
177.00705	3.9
178.04851	1.0
179.02272	0.6
179.11781	1.6
180.06558	4.2
181.09685	9.6
185.12799	1.8
189.00714	0.7
191.03889	0.6
193.00160	2.1
193.01768	0.6
193.03821	1.7
194.00552	0.9
195.01697	0.7
195.11275	7.2
196.01845	0.5
196.09634	0.8
197.00963	0.8
197.12836	9.9
198.07701	0.6
199.02159	1.4
201.00636	0.6
213.05316	1.1
213.12334	5.5
213.15791	0.6
217.00204	0.9
217.05383	1.1
219.01642	1.5
223.01212	0.7
223.10721	3.2
231.06400	0.9
231.08363	0.6
235.01147	1.1
237.02760	1.9
241.11809	45.5
254.09731	0.6
258.58835	1.1
259.04178	9.3
259.12866	100.0
259.16431	6.2
260.12988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01869	0.4
55.05514	0.7
56.05035	1.4
56.96560	2.4
57.03436	0.8
57.07084	0.3
58.06607	0.4
59.71981	0.2
61.02919	1.0
67.05505	0.7
68.05028	0.4
69.03434	1.7
69.07064	0.4
70.06590	0.6
71.32865	0.5
73.02910	0.7
81.03408	0.6
82.06569	0.4
83.05029	0.2
83.06098	0.3
84.03976	0.4
84.04504	19.8
84.08141	75.9
85.02908	1.7
88.99152	0.3
94.06586	0.3
96.04491	0.4
97.02900	2.4
98.97578	1.5
100.02193	0.4
101.10782	1.9
102.05545	0.7
105.06049	0.2
108.04498	0.4
109.02840	0.6
109.04834	0.3
110.06020	0.3
110.07158	0.4
110.97601	0.3
111.04485	0.5
111.09198	1.2
112.07572	0.3
114.05450	0.3
114.09176	0.4
116.07076	0.3
116.98612	1.1
119.01960	0.4
123.04411	0.3
126.05507	0.6
126.07492	0.3
127.03899	0.7
128.98642	0.6
129.10236	100.0
130.04993	4.7
132.04385	0.4
134.99596	0.7
139.03961	0.4
142.08630	0.9
146.99638	0.4
149.06001	0.4
149.10631	0.3
155.02811	0.3
155.04616	1.1
155.05864	0.3
155.08107	0.4
158.99625	0.5
161.04704	0.3
162.99199	0.3
164.02280	0.3
164.05212	0.6
167.11728	0.3
168.05414	0.3
170.05159	1.3
170.99548	0.3
174.13445	0.3
177.00766	0.9
177.04330	0.5
177.05925	1.1
180.01154	0.5
181.09691	0.4
182.03467	0.3
186.06592	0.4
187.07407	0.3
193.00217	0.4
194.12816	0.4
195.05368	0.3
195.11275	2.7
212.03851	0.4
216.05553	0.3
219.01711	0.4
219.05209	0.3
223.01241	0.6
234.98956	0.7
235.01283	0.5
237.02867	0.4
240.08427	0.4
240.13425	3.1
241.09154	0.6
241.11816	1.8
249.56413	0.3
258.00455	0.3
258.09088	1.6
258.11658	1.3
258.14490	6.6
258.58664	0.3
259.12888	2.0
276.07431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.7
56.58302	5.6
57.03427	11.4
57.07067	5.9
60.08158	14.7
67.05501	39.6
69.07051	17.9
71.61465	5.7
79.05498	20.0
80.46280	4.9
81.07046	66.3
83.05003	9.6
83.08607	11.1
87.28014	5.3
91.05459	33.3
93.07034	14.8
95.04948	9.6
95.08587	26.3
97.06535	13.0
99.08073	8.7
105.07019	46.2
107.04956	5.8
107.08582	15.5
109.06515	8.2
114.34538	5.2
117.07024	12.5
119.08595	37.9
121.10159	13.7
123.04398	7.7
123.11709	15.8
129.06964	12.8
131.08575	23.6
133.10135	22.4
134.99687	9.3
145.10136	17.3
147.11668	100.0
149.09612	7.8
153.04079	4.7
157.10088	26.8
159.11723	14.4
165.12759	58.7
169.10126	8.2
172.41870	5.1
173.13330	9.8
175.11201	36.6
185.13358	9.5
193.12239	64.0
197.13197	7.2
197.15436	9.0
207.13739	6.1
211.13252	13.5
221.69843	5.5
221.94272	4.9
225.14893	19.0
239.17932	6.7
257.05450	9.9
257.08133	12.4
257.15271	5.8
257.19052	49.0
257.22610	6.9
257.27029	11.8
257.30347	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.83982	1.6
53.03936	2.4
55.05494	5.4
56.96538	2.2
57.07065	3.9
62.48392	1.7
67.05495	12.0
69.07049	6.8
70.97045	4.1
70.97390	1.8
79.05490	7.6
81.07047	10.0
83.04971	3.2
83.08590	2.6
89.43018	1.7
91.05460	17.3
93.07034	12.5
95.04942	6.3
95.08607	15.0
98.97592	2.9
105.07021	22.6
107.04948	78.2
107.08588	6.3
108.05238	3.2
109.10168	11.7
116.98594	4.0
117.06987	3.9
119.08576	38.1
120.09393	13.5
121.06477	2.9
121.10133	7.4
123.04417	44.4
129.06995	7.0
131.08560	40.6
133.10133	6.1
134.99678	2.7
137.09621	10.4
143.08572	7.1
144.09325	4.9
145.06540	1.9
145.10126	28.4
147.08035	7.1
147.11681	5.7
156.09348	2.0
157.10138	6.1
158.10884	11.2
159.08052	2.1
159.11736	9.0
169.10124	4.1
171.11674	4.3
173.13260	100.0
174.13521	2.9
177.12773	1.8
182.10942	1.9
183.11694	3.7
185.13243	3.2
186.10289	1.9
187.11093	2.2
197.05876	1.9
197.13229	5.0
199.14815	6.3
201.12717	10.4
213.16553	2.3
214.05852	2.9
215.14316	2.5
215.17966	2.7
221.18883	1.9
229.06380	1.8
229.08607	30.0
229.19371	2.2
230.08951	2.6
239.17892	9.0
242.05525	5.3
243.13280	1.5
257.04837	4.1
257.08047	58.8
257.12302	2.2
257.18997	75.4
257.26575	4.4
258.08429	3.0
258.19278	2.4
268.59033	1.7
274.97479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03460	0.3
53.03949	0.7
53.66702	0.3
55.01870	1.9
56.96569	0.7
57.03436	7.0
63.71024	0.3
67.05495	0.5
69.03408	0.8
69.07071	0.6
69.70030	2.6
70.06624	0.4
73.02932	0.8
75.04475	2.7
79.05488	4.3
81.07066	1.2
83.04978	0.6
83.08601	0.3
83.43333	0.3
85.02904	0.3
85.19618	0.3
91.05470	1.8
94.04194	1.0
95.04954	0.8
95.08644	0.3
97.02899	0.5
98.97598	0.6
103.05470	3.0
105.07025	29.6
107.04956	3.2
109.02891	0.5
109.06506	1.0
111.04460	0.5
115.05443	1.3
116.98573	0.5
117.06999	0.7
119.04979	0.4
119.08639	0.4
121.06490	0.7
122.03633	3.0
123.04420	0.8
123.11806	0.3
124.05180	0.7
131.04924	0.5
133.06483	49.6
134.06854	0.5
135.04405	0.8
135.08057	0.7
136.05157	0.5
137.05966	100.0
138.06340	1.1
145.06522	0.4
146.99602	0.4
147.08011	0.8
150.06757	0.8
151.07591	0.8
161.09622	0.7
162.06741	0.5
163.07529	4.5
165.09108	26.5
166.09540	0.4
175.07515	3.0
175.11156	0.4
177.09113	1.1
181.08565	1.9
181.44930	0.3
182.07207	0.5
182.09354	0.6
183.08284	0.4
183.10149	7.9
189.09071	0.4
193.06529	0.6
193.08594	0.4
203.10658	2.7
208.74100	0.4
209.11720	1.0
216.06563	0.3
221.11691	3.0
225.09082	0.7
229.08542	0.4
236.06224	0.4
239.07047	0.4
239.12712	1.2
245.54584	0.4
257.07980	1.3
257.11469	0.7
257.13751	1.4
275.59982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Stemofuran B
Peak:m/z	Relative Intensity
51.45950	0.3
53.03934	0.6
55.01869	0.4
67.05514	1.4
70.40726	0.7
70.41126	0.6
77.03927	0.3
79.05484	1.5
81.07060	0.6
91.05479	0.4
95.04964	2.8
95.08559	0.4
98.97533	0.3
106.87667	0.3
107.04952	100.0
108.05237	0.5
119.08521	0.4
123.04426	63.3
124.04790	0.5
131.08569	0.5
134.03641	0.9
135.03976	0.6
141.06990	0.3
145.10069	0.4
147.04411	0.7
148.04730	0.8
158.69598	0.3
173.05911	0.4
173.13295	0.8
197.05988	1.1
199.07593	0.5
213.05444	1.4
214.05844	4.1
226.06203	0.9
229.08591	44.8
230.08969	0.6
241.04948	0.4
242.05531	5.9
256.06882	1.6
257.08051	75.8
258.08405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27897	0.4
53.03961	0.5
55.01854	1.5
56.96542	0.6
57.03434	7.4
65.03922	0.6
67.05473	0.4
69.03409	1.1
69.07069	0.6
70.87229	1.0
73.02915	0.7
75.04464	2.5
79.05485	3.5
81.03417	0.6
81.07044	1.4
83.04979	0.7
91.05464	1.3
93.07021	0.6
93.37264	0.4
94.04187	1.5
95.04946	1.4
95.08592	0.6
97.02883	0.6
98.97578	1.0
103.05467	2.8
105.07021	32.9
107.04932	3.5
107.53799	0.4
109.02872	0.6
109.06526	1.4
111.04430	0.5
115.05460	1.3
116.80616	0.4
116.98553	0.6
117.07048	0.5
121.06474	0.7
122.03633	3.3
123.04447	0.8
124.05183	0.8
127.03897	0.4
133.06483	49.5
135.04411	0.9
135.08055	0.9
137.05966	100.0
138.06361	0.5
147.08026	0.6
150.06721	0.4
151.07596	0.6
163.07538	4.0
164.79269	0.4
165.09100	25.9
175.07512	3.3
175.11137	0.7
177.09056	1.0
181.08568	1.8
182.09325	0.5
183.10149	6.4
203.10603	2.0
209.11687	0.8
221.11763	2.6
228.80743	0.4
236.06244	0.4
239.12782	1.2
257.08063	0.6
257.13828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
55.05501	1.4
56.96561	1.6
57.07063	2.7
58.94886	0.8
67.05497	1.7
67.74995	0.7
68.99776	1.5
69.03389	0.9
69.07053	2.5
71.04967	1.1
71.08606	1.4
71.60974	1.4
79.05491	1.2
81.03407	5.1
81.07061	4.2
83.04971	0.9
83.08640	1.2
91.05476	7.0
93.07015	1.7
95.04945	2.7
95.08603	4.4
96.02050	0.8
98.97553	0.7
103.01544	0.9
105.07004	2.5
107.04950	3.7
107.08556	1.7
109.02877	1.0
109.10137	1.6
111.04442	1.0
115.73881	0.8
116.98590	1.2
117.03344	3.0
119.01923	1.1
119.04948	14.3
119.08578	2.1
121.06464	0.9
121.10159	1.2
123.04414	3.5
127.03892	1.6
131.08539	3.0
132.50429	0.8
134.99677	1.7
135.04440	0.9
135.11757	0.9
137.02328	98.4
139.01752	1.1
141.06963	1.3
143.08504	1.6
145.06465	0.8
145.10066	2.3
147.04405	32.7
147.11679	1.1
152.07077	1.0
155.03334	1.7
155.08531	1.7
157.10170	1.4
159.11673	1.4
162.03285	1.1
163.03902	2.9
164.54735	0.9
165.06953	2.5
171.08061	1.4
173.13327	1.7
182.57506	0.8
183.07991	1.4
197.13286	1.3
201.12700	0.9
211.07542	5.0
222.05304	0.8
229.06276	1.5
229.08618	2.8
239.07010	5.4
242.05763	2.4
257.08072	100.0
257.15454	2.1
257.18961	4.4
257.22513	1.5
258.08322	1.7
274.97635	0.8
276.01416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01867	3.9
55.05502	0.5
56.96565	2.6
57.03434	8.5
58.99860	0.7
59.04987	1.8
60.04515	0.5
61.02924	4.1
69.03423	5.3
69.07063	0.5
70.02141	2.4
71.01349	2.5
71.04982	1.4
73.02913	8.2
77.00919	0.8
80.05012	1.3
81.03409	1.3
83.01364	0.6
83.04994	0.7
83.06142	0.6
84.96033	0.6
85.02415	0.6
85.02901	7.9
87.04472	3.0
89.02415	0.5
95.01357	0.5
95.01903	0.4
95.69165	0.3
96.04494	1.2
97.01462	0.5
97.02894	4.4
98.20853	0.6
98.97584	1.4
99.04451	1.1
100.02476	3.5
101.00878	1.1
101.02376	5.0
103.02453	1.1
103.03952	1.1
113.02370	1.1
114.05508	1.4
115.02438	6.2
115.03922	7.3
116.98606	1.6
117.03967	3.9
118.03484	2.3
119.01919	7.0
120.01925	0.4
121.03445	0.4
124.03945	100.0
127.01463	0.4
127.02358	0.4
127.03915	1.4
127.04971	0.6
128.02313	0.4
128.98599	0.5
129.01846	5.6
131.00195	0.6
131.01875	1.9
132.49878	0.4
133.03465	8.1
133.04965	4.2
134.06013	0.5
134.99634	1.1
135.03169	0.4
135.05035	3.8
137.02950	2.6
139.04189	0.5
140.05542	1.5
142.03464	0.6
143.01888	2.8
143.03340	2.7
145.03429	2.8
145.04939	0.8
146.99620	0.9
147.01335	0.6
147.02863	1.0
149.03049	0.6
150.01743	0.6
153.05682	0.4
155.01852	0.6
155.08121	3.5
156.05008	0.7
157.01320	4.7
157.03413	0.6
158.06631	1.5
159.01382	0.6
159.02824	0.4
160.04633	1.0
160.97603	0.5
161.01161	0.5
161.01588	0.6
161.02954	5.6
161.04445	5.4
161.05597	1.0
162.03038	0.4
163.04521	1.8
168.05080	1.3
168.54491	0.5
169.05287	0.8
170.03020	0.4
170.06097	0.7
171.01353	2.6
171.02861	2.1
173.02933	1.2
175.02357	0.5
175.04488	0.8
177.00783	0.7
177.02425	0.7
178.04884	0.8
181.05374	0.5
184.04555	3.3
186.06058	0.6
187.00812	1.0
189.02403	4.4
189.03943	16.9
194.02885	0.6
196.07245	0.8
203.03830	0.6
203.05499	4.2
205.01920	0.9
207.03481	3.3
208.99684	0.6
210.02457	1.0
210.08635	0.6
212.04018	4.7
215.00465	1.5
221.06630	2.7
224.07574	0.5
228.03606	0.5
230.05119	2.3
232.99390	0.7
233.01450	7.8
233.05045	1.1
238.01796	0.5
251.02481	20.2
252.02644	0.5
256.03003	17.2
256.05377	0.6
256.08658	1.5
256.13052	1.9
256.26352	1.7
257.03156	0.7
274.04062	11.9
279.04623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.7
56.27277	1.7
56.96559	7.2
57.03433	26.6
58.99844	2.1
59.05006	4.6
61.02910	8.7
69.03413	7.1
70.62902	4.4
71.01340	7.3
71.04980	5.4
73.02919	19.0
75.04480	2.8
78.31728	1.9
81.03405	2.5
85.02905	18.3
85.48609	2.0
87.04458	10.7
89.02373	2.5
91.03950	1.9
97.01376	1.9
97.02883	8.8
98.97584	3.9
99.04475	1.8
100.02503	5.1
101.00913	1.7
101.02367	18.5
101.60434	2.1
101.90617	1.8
113.02376	4.4
114.05512	3.2
115.02431	9.8
115.03930	24.0
116.98638	4.7
117.03993	6.9
118.03516	2.7
119.01919	15.7
124.03952	100.0
127.03915	3.9
129.01823	23.2
131.01871	2.3
133.03485	10.2
133.04951	8.2
134.99605	2.2
135.05003	4.7
137.02925	3.5
140.05559	3.1
143.01866	2.8
143.03406	8.7
145.03450	5.0
157.01297	16.8
161.02972	9.7
161.04459	17.7
163.04515	2.6
169.05182	2.7
171.02856	6.4
172.54984	1.8
173.02946	2.8
175.02515	2.0
175.04361	2.1
184.04601	3.5
189.02444	5.7
189.03949	56.3
203.05501	14.2
207.03519	4.5
212.04016	3.5
215.00351	3.2
221.06514	4.3
230.05151	3.2
232.26994	1.8
233.01482	9.4
241.26297	2.0
250.62529	1.9
251.02487	30.3
256.03033	23.6
256.09235	2.1
256.26355	5.0
274.04080	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	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01871	3.7
55.05497	0.8
56.96286	0.5
56.96563	8.8
57.03432	10.3
57.07047	0.4
59.05002	1.4
60.25392	0.3
61.02634	0.5
61.02922	6.1
65.26457	0.3
67.05492	0.3
69.03065	0.6
69.03426	7.9
69.07057	0.6
70.03719	0.4
70.98077	0.3
71.01345	2.1
71.04990	2.6
71.58938	0.4
73.02911	11.3
74.97596	0.5
75.04474	1.0
79.05499	1.5
80.05013	1.0
81.03415	2.4
81.07062	3.7
83.04964	0.9
83.06093	0.3
84.08155	0.6
84.96014	1.1
85.02901	11.3
86.03682	1.1
87.04462	3.0
88.99142	0.4
89.02395	0.5
95.04967	0.5
96.01521	0.3
96.04483	1.1
97.02887	5.5
97.96820	0.7
98.01250	0.5
98.97572	7.0
99.04458	1.8
100.02473	0.5
100.05255	0.4
101.00848	1.1
101.02364	2.6
102.97035	0.3
103.03945	1.1
104.01289	0.6
107.01791	0.4
109.02859	2.2
110.01289	1.3
110.07170	0.5
110.97565	1.0
111.00832	0.4
111.53616	0.4
112.07608	1.9
112.99152	0.5
113.02374	0.8
113.06010	0.4
114.05503	0.9
115.02400	0.8
115.03144	0.5
115.03922	6.3
115.97848	0.4
116.98615	4.4
117.02022	0.8
117.04009	0.8
118.01009	0.4
118.03547	0.4
119.01878	5.7
119.03349	0.4
119.04913	0.3
121.01539	0.5
123.02903	0.4
123.05543	0.5
124.03946	100.0
125.04298	0.9
125.52003	0.4
126.02579	0.9
127.03907	3.1
127.04869	0.6
127.08625	0.5
128.02295	1.1
128.04231	0.4
128.98589	2.0
129.01826	3.9
130.08636	2.4
130.52518	0.4
131.00168	1.3
131.01878	1.1
133.01617	0.4
133.03441	1.1
133.04967	5.0
134.99649	2.2
135.03073	1.1
135.05020	0.9
135.53613	0.3
137.01936	0.3
137.02943	1.0
138.02573	0.5
138.05400	0.4
138.54143	0.4
139.00620	0.4
140.02333	0.7
142.03598	0.6
143.00165	1.4
143.01904	1.3
143.03329	1.8
144.98079	0.6
145.01624	0.6
145.03423	1.2
145.05009	1.5
146.02301	0.4
146.06023	0.5
146.99655	2.4
147.01300	0.3
147.03056	0.6
147.04980	0.5
148.02007	0.5
149.01210	1.3
150.01682	0.6
152.07018	0.5
153.05760	0.5
154.03790	0.5
155.01816	0.5
155.08162	2.1
156.03674	0.5
157.01364	2.6
157.03439	0.7
158.99620	2.3
159.04907	0.8
160.97510	0.5
161.01244	2.2
161.02948	2.7
161.04472	3.1
161.05505	0.5
162.99171	0.7
163.02718	0.5
163.04497	0.6
163.05989	0.4
165.00810	1.1
165.54753	0.4
166.08577	0.4
168.05321	0.8
169.04420	0.9
170.05034	0.4
170.99693	0.4
171.01517	0.4
171.02846	1.5
172.04909	0.4
173.01260	0.8
173.02951	1.2
174.04439	0.5
174.55208	1.2
174.99205	0.6
175.02667	1.3
175.04433	1.4
176.01675	0.3
176.03391	1.1
177.00725	3.6
177.04153	0.7
178.04898	2.0
179.02269	0.4
180.53780	0.5
180.55194	0.4
181.05421	0.4
182.03383	0.9
182.04976	0.3
183.55713	0.4
184.03069	0.4
184.04675	0.7
185.03923	1.0
186.04524	0.7
186.06111	0.4
187.02779	0.7
187.04497	0.5
188.97139	0.4
189.00706	1.0
189.02426	0.6
189.03940	11.3
189.55814	0.4
190.05716	0.5
190.98639	0.6
191.02252	1.9
191.03934	1.9
191.05721	1.3
192.04707	0.4
193.00204	0.6
193.03792	0.5
194.04419	1.1
194.08131	0.4
196.07256	0.5
198.04599	0.7
198.54939	0.7
199.03516	0.4
200.04420	0.9
201.00735	1.3
203.02238	0.4
203.05440	3.2
204.05441	0.9
205.00169	1.1
205.01913	0.6
205.03743	0.4
207.01724	0.7
207.03427	0.4
207.05180	1.2
207.55414	0.9
208.04192	1.0
208.99699	1.0
209.05023	0.5
209.99992	0.4
210.02507	0.3
210.08827	0.4
212.04106	0.7
214.56105	1.8
215.02243	0.4
216.05626	0.7
219.01736	2.2
220.04112	0.7
220.99620	0.4
221.06622	0.8
223.01212	0.9
223.06477	0.5
223.56668	1.3
224.06416	0.4
227.04903	0.3
228.05423	0.4
229.04787	1.0
232.07037	0.8
232.57228	4.7
233.01476	0.6
233.05092	0.8
233.07153	0.9
236.05440	1.1
237.02599	1.6
238.10852	0.4
240.55574	0.4
245.05461	0.3
251.02449	1.2
251.04489	1.1
256.03018	0.7
256.08716	1.5
256.12540	1.1
256.26431	0.7
257.05612	0.3
263.01138	0.3
269.05417	2.7
274.04034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
53.03927	0.4
55.01870	3.1
56.05036	0.6
56.96558	1.9
57.03432	5.9
59.04992	0.5
59.53103	0.3
60.15867	0.2
61.02924	2.2
69.03417	3.6
69.04547	0.3
70.06588	0.5
71.01360	1.3
71.04984	0.6
71.23762	0.6
73.02910	6.0
80.05017	1.5
81.03403	0.6
82.06570	0.3
83.06094	1.7
84.95994	0.4
85.02894	5.6
85.97736	0.3
86.06041	0.9
86.54371	0.3
87.04453	1.1
88.99187	0.3
91.03937	0.3
96.04485	1.1
97.02888	2.7
97.07636	0.8
98.97578	1.1
99.04443	0.4
99.09200	0.3
100.02465	0.3
101.00850	0.6
101.02354	0.3
103.03925	0.5
109.02847	0.5
109.07587	0.5
110.07094	0.3
110.13991	0.3
114.05529	3.9
115.02431	0.4
115.03913	2.7
116.98608	0.9
117.03972	0.6
119.01894	1.7
123.05479	0.3
124.03943	100.0
125.04271	0.7
127.03986	0.6
127.05005	1.4
127.08654	0.9
129.01816	0.5
131.00206	0.6
131.01865	0.6
133.03409	0.5
133.04948	4.3
135.05035	0.5
137.02979	0.7
138.05501	0.4
143.01924	0.7
145.03404	0.7
149.01239	0.3
150.06696	0.7
153.05678	0.4
155.08136	11.1
157.03490	0.7
158.99675	0.3
161.02951	0.9
161.04276	0.3
162.06262	0.4
163.04503	0.6
170.06134	0.4
171.02835	0.3
173.01437	0.3
173.02934	0.6
175.02824	0.4
177.00729	0.4
178.04900	0.9
178.55038	0.3
184.04494	0.5
185.02945	0.5
189.02412	0.5
189.03979	1.2
190.05600	0.5
191.02263	0.6
191.03864	0.3
194.08165	0.3
196.07179	1.2
203.04015	0.4
203.05707	0.3
210.08714	1.0
219.01717	0.4
232.57230	0.8
233.01494	0.4
233.05060	0.4
247.06670	0.3
251.02408	0.5
251.04700	0.3
256.02792	0.4
256.09589	1.9
256.12939	5.0
267.34119	0.3
269.05496	0.6
274.04214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
55.05504	1.8
57.07057	3.1
63.70346	1.2
66.79082	1.3
67.05495	5.0
69.03406	3.8
69.07047	2.9
70.49792	5.0
71.08627	2.0
71.15256	1.1
71.75851	1.6
72.08129	1.3
72.28099	1.4
79.05472	2.5
81.07031	2.6
83.08596	2.7
91.05463	1.3
93.07025	2.4
95.08595	2.2
97.06510	1.6
97.10165	1.6
98.98454	14.6
107.08561	2.7
108.68159	1.3
109.10144	1.9
111.04462	1.3
115.05457	2.0
121.10120	1.5
123.11675	1.7
129.07025	1.8
130.07716	1.7
139.05510	2.9
140.06203	3.6
141.06914	2.5
143.08504	1.7
144.05635	1.4
147.43254	1.5
152.06271	1.8
153.06978	5.3
157.06476	5.7
158.07257	7.4
165.06996	9.3
165.88672	1.3
166.07773	8.9
167.04898	3.5
167.08467	2.0
168.05699	34.5
169.06429	2.1
171.04436	7.2
171.08072	1.8
171.11638	1.9
173.05972	2.5
179.08612	1.4
181.06473	7.6
181.10123	11.4
185.05972	31.7
186.06757	27.8
187.07535	6.5
190.07748	1.8
191.08566	6.7
194.07288	4.1
195.07996	3.3
196.05202	6.3
197.06015	3.1
198.06674	1.4
199.07561	4.5
199.11180	1.9
209.09619	19.8
209.11722	3.7
213.05484	12.0
213.08951	1.9
214.06247	58.1
219.08122	1.9
222.06851	1.8
225.09143	2.4
227.07050	2.2
227.10690	11.7
237.09157	12.8
240.07867	2.4
255.06689	6.6
255.10156	100.0
255.21152	2.2
256.10446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2318
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
54.13408	5.8
55.01860	8.1
55.05510	65.3
56.96560	10.3
57.03432	6.4
57.07075	61.3
65.37749	6.4
66.73766	5.6
67.05505	26.3
69.07064	100.0
71.04984	9.7
71.08632	39.8
71.36471	5.4
79.05490	25.0
81.07057	62.3
83.04951	13.5
83.08620	69.3
85.06557	13.9
85.10169	30.3
86.10506	6.9
91.05491	6.9
93.07041	38.1
95.08604	54.2
97.06523	22.5
97.10181	44.7
98.98466	69.6
107.04913	5.6
107.08578	33.1
109.10161	26.0
111.08073	12.3
111.11741	12.6
115.07561	11.5
121.10117	36.3
123.11710	26.2
125.09631	24.1
131.08604	7.4
135.11690	44.3
139.11180	25.0
146.37978	5.9
149.13257	35.6
153.12782	16.0
155.13045	5.7
163.14838	18.4
165.59570	6.3
167.14273	7.2
177.16489	8.0
181.15953	7.6
186.06639	8.6
209.10031	6.6
209.11819	16.0
214.06268	6.7
219.17618	6.1
219.21053	54.7
229.19496	6.5
237.11197	8.6
237.22099	38.9
255.06381	29.6
255.10179	17.8
255.21271	14.5
256.30014	13.1
272.51694	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	255.0651
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
53.03932	0.1
55.05495	0.2
57.07071	0.1
65.03929	0.4
67.05495	0.3
68.99439	0.1
68.99787	1.9
69.03414	0.4
69.07049	0.3
69.79394	0.2
69.79812	0.7
71.04973	0.2
73.02914	0.2
79.05499	0.1
80.72894	0.1
80.74345	0.1
81.03416	0.7
81.07051	0.2
85.06528	0.3
91.05487	0.9
93.07004	0.2
95.01319	0.5
95.08595	0.3
97.06533	0.2
97.10139	0.1
98.98450	0.6
105.07051	0.2
107.08605	0.3
109.02846	0.6
111.04424	0.9
112.13100	0.1
119.04934	3.5
119.08589	0.2
121.02868	0.5
121.03979	0.2
127.03920	0.2
137.02328	7.2
138.02669	0.2
141.06984	0.3
143.08501	0.2
145.02835	4.4
145.03989	0.3
153.06978	0.4
155.03384	3.0
157.06482	0.3
159.07947	0.1
169.06468	0.5
171.08022	0.4
177.00621	0.1
181.06453	0.4
187.07582	0.4
199.07576	0.3
213.05487	0.4
227.07018	1.1
237.14816	0.2
255.06499	100.0
256.06866	0.9
275.86700	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	255.0651
Annotation	Daidzein
Peak:m/z	Relative Intensity
55.01879	0.8
55.05497	0.4
57.03421	0.2
57.07064	0.3
60.61418	0.1
62.73548	0.1
65.03933	0.4
67.05490	0.5
68.99786	0.4
69.03417	0.2
69.07050	0.5
69.70848	0.5
69.71270	0.3
71.04967	0.2
72.08125	0.2
73.02918	0.2
79.05488	0.2
81.03407	0.4
81.07055	0.7
83.04973	0.2
83.08603	0.4
84.04501	0.2
85.06541	0.2
87.04507	0.1
91.05473	3.1
93.07036	0.5
95.04961	0.3
95.08578	0.7
95.24788	0.1
97.06527	0.3
98.97579	0.2
98.98450	0.7
100.11227	0.7
105.03392	0.3
105.07025	0.4
107.04908	0.1
107.08578	0.4
109.10152	0.3
111.04417	0.2
111.08087	0.1
115.05436	0.1
116.98660	0.1
118.04184	0.1
119.04941	1.2
119.08547	0.2
121.02892	0.5
121.06533	0.1
121.10103	0.4
123.04440	0.1
123.11701	0.2
128.06215	0.8
129.06998	1.2
131.04922	0.4
131.08562	0.4
133.02867	0.6
133.10063	0.1
134.03621	0.3
135.07994	0.1
135.11681	0.2
137.02328	9.1
139.27975	0.1
141.07011	0.3
142.12268	0.2
143.08585	0.7
144.05827	0.1
145.02840	1.2
145.06508	0.3
145.10088	0.2
149.02342	0.6
149.13223	0.2
152.06149	0.7
153.06979	2.8
154.12283	0.2
157.06476	1.7
159.11638	0.2
160.01222	0.1
163.11205	0.1
165.06976	0.4
167.03476	0.1
169.06471	0.3
170.11777	0.2
171.08052	1.6
171.14914	0.8
181.06465	5.1
182.07181	0.3
182.62782	0.1
184.05186	0.6
185.06012	0.6
193.04881	0.2
197.05988	0.5
198.06761	0.4
199.07529	14.0
200.07974	0.1
201.16339	0.2
209.05765	0.6
209.09708	0.1
210.06708	0.3
211.07614	0.4
212.04678	0.2
213.05501	0.2
226.06314	0.2
227.07007	5.2
227.14612	0.1
237.03090	0.2
237.05443	2.0
237.18390	0.2
238.06053	0.2
255.06499	100.0
255.20213	0.7
256.06870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1658
Annotation	Hexazinone
Peak:m/z	Relative Intensity
54.03466	1.1
55.01863	1.7
55.05499	1.9
56.05030	1.2
56.96560	2.1
57.03431	1.8
57.07082	4.2
59.06103	2.2
60.04524	20.7
61.02911	1.4
65.55138	0.8
67.05495	4.0
69.03421	3.0
69.07058	5.5
70.06587	1.0
70.84494	2.0
71.04995	1.6
73.02918	1.9
73.06531	1.5
79.05482	2.3
81.03418	1.4
81.04536	45.4
81.07050	5.6
83.04968	1.5
83.08614	1.8
85.02900	7.4
86.09704	5.7
91.05477	1.7
93.07024	1.6
95.04970	1.6
95.08604	4.2
97.02888	5.7
97.10143	1.3
98.09733	1.2
98.98462	78.2
103.03960	1.7
103.05443	1.3
103.29530	0.9
104.10749	8.2
105.07030	1.4
107.04948	1.5
107.06046	2.3
109.02902	1.1
109.06506	1.6
109.10110	2.3
110.07159	12.7
111.04456	1.7
114.09132	2.7
116.10721	0.9
116.98679	1.5
116.99487	4.4
120.08102	28.0
121.02888	1.6
121.06475	0.9
121.08424	0.8
121.10094	1.1
122.07147	31.1
123.04401	1.9
123.07988	2.0
123.11714	1.4
124.08713	47.1
127.03930	1.5
133.06461	0.9
134.99631	1.4
140.08183	2.0
141.05438	3.3
145.04951	1.4
146.99640	1.1
147.11594	0.9
149.05905	1.4
151.11166	1.0
159.02927	1.4
161.05942	1.2
161.09615	1.1
162.09044	1.1
166.08626	22.1
174.99216	1.0
176.98819	1.5
177.11450	1.0
179.10628	2.0
189.12778	0.9
190.13399	1.1
191.06909	0.9
197.11743	7.2
207.11319	5.8
219.05020	3.1
219.08005	0.8
225.17099	43.1
235.15567	3.1
236.09286	1.3
253.11826	4.8
253.16579	100.0
254.10002	0.9
266.88388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
52.22653	0.7
53.03932	2.0
55.01862	4.8
55.05491	4.0
56.46344	0.7
57.03435	1.1
57.07076	1.3
63.84002	0.6
65.03931	1.4
67.05499	11.5
69.03416	3.6
69.07065	4.8
69.49738	6.4
71.04988	7.6
75.87746	0.6
77.03923	0.9
79.05485	22.1
81.03415	0.8
81.07048	48.0
83.04979	4.9
83.08611	1.6
85.02861	1.6
85.06544	4.2
91.05468	13.0
93.07034	41.6
95.04956	11.3
95.08598	17.7
97.02903	1.5
97.06522	16.0
98.98462	9.7
99.04436	8.0
99.08090	0.8
101.06042	1.1
105.07020	21.4
107.04938	6.6
107.08587	19.5
109.06506	31.8
109.07255	1.6
109.10139	4.7
111.04438	1.3
111.08064	4.2
113.05995	3.4
115.05454	0.9
117.05480	1.1
117.06987	2.3
119.04942	1.2
119.08562	16.2
121.06491	100.0
121.10111	3.9
122.44070	0.7
123.04399	4.4
123.08050	4.8
123.11694	1.2
125.05973	2.6
127.07547	13.1
128.06206	1.5
129.06992	5.1
131.08543	5.5
132.09335	0.7
133.06497	4.8
133.10115	8.0
135.04434	6.1
135.08035	8.4
135.11665	1.1
137.05975	6.4
137.09586	1.5
139.07529	15.8
141.05437	2.3
141.06966	1.5
142.07756	3.2
143.07016	1.7
143.08539	8.6
145.10112	6.2
147.08034	5.1
147.11673	27.5
149.06058	0.8
149.09642	1.1
149.13197	0.7
151.07512	1.9
151.11119	1.0
153.05550	0.7
153.06917	0.7
155.08484	1.4
156.09351	3.3
157.06433	1.0
157.08606	2.6
157.10106	13.4
159.08080	1.9
160.08771	1.3
161.05971	2.4
161.09608	2.1
161.13235	13.4
163.11124	1.1
163.14783	2.5
165.06947	1.8
165.12762	6.5
166.07777	4.0
169.09927	0.7
171.08061	1.5
171.11662	16.4
173.09616	3.2
173.13269	0.9
175.07578	0.9
175.11163	16.5
177.12691	0.8
179.06979	0.7
179.08533	0.7
181.10091	5.2
184.08820	2.2
189.12723	25.2
191.10667	0.9
193.12222	14.5
197.11633	1.1
199.11157	37.2
207.13768	12.9
210.06770	0.9
211.13271	2.0
217.12218	95.7
225.09033	0.8
233.50682	0.7
235.13266	49.4
235.17076	1.7
238.06468	0.8
241.05161	1.2
253.04884	0.9
253.08698	3.6
253.14339	27.8
253.17311	1.0
253.18002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.143
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03949	3.5
55.01870	5.8
55.05509	11.3
56.80214	1.3
57.07076	7.4
64.30851	1.4
67.05499	17.0
69.03425	8.4
69.07070	12.1
70.74503	3.3
70.74849	2.3
71.04987	13.7
71.37115	1.5
78.75526	1.3
79.05492	24.0
81.07053	59.0
83.04990	9.1
83.08631	4.4
85.06540	6.7
91.05476	19.1
93.07042	44.8
95.04967	17.3
95.08595	26.8
97.02885	3.2
97.06544	18.1
97.10142	1.8
98.98462	97.8
99.04460	8.8
99.08071	2.6
103.05426	1.8
105.07027	33.3
107.04942	5.6
107.08596	25.2
109.06511	34.8
109.10159	10.3
111.04436	2.4
111.08101	3.3
113.06033	7.7
116.98703	2.1
116.99499	5.9
117.07050	4.9
119.04961	2.3
119.08575	23.4
121.06501	100.0
121.10118	8.6
123.04479	7.3
123.08036	8.8
123.11702	4.7
125.06001	4.4
125.09576	3.3
127.07561	12.8
127.11236	2.6
128.06216	2.0
129.07014	6.5
131.08571	7.5
133.06485	6.0
133.10133	13.8
135.04433	6.3
135.08075	12.3
135.11685	4.9
136.11305	1.6
137.05989	10.0
137.09598	12.6
137.13327	1.9
139.07533	15.1
139.11278	1.9
140.10693	3.7
141.05463	5.9
141.06949	1.8
142.07773	4.6
143.07014	3.0
143.08617	10.9
145.10092	11.3
147.08038	7.3
147.11681	27.7
149.09583	7.1
151.07520	3.3
151.11165	3.1
156.09389	3.5
157.10143	16.5
159.08090	2.8
159.11746	2.0
161.05980	2.8
161.09586	3.1
161.13252	16.7
163.11223	3.1
163.14868	3.5
165.07018	2.2
165.12784	5.0
166.07768	3.4
166.12337	1.7
171.08034	3.4
171.11710	19.4
173.09554	2.6
173.13176	2.4
174.99242	5.2
175.07278	1.5
175.11188	18.7
176.98860	1.5
179.06973	2.1
179.10675	4.0
181.10071	5.3
184.08821	2.5
189.12723	24.0
189.16423	2.3
193.12271	19.2
197.11739	7.9
199.11151	32.9
207.13777	12.7
211.13341	2.1
217.12234	95.0
217.15826	3.8
235.13290	46.1
235.16847	9.8
253.08524	2.8
253.14302	29.6
253.17769	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	253.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01870	5.8
55.05509	11.3
56.80214	1.3
57.07076	7.4
64.30851	1.4
67.05499	17.0
69.03425	8.4
69.07070	12.1
70.74503	3.3
70.74849	2.3
71.04987	13.7
71.37115	1.5
78.75526	1.3
79.05492	24.0
81.07053	59.0
83.04990	9.1
83.08631	4.4
85.06540	6.7
91.05476	19.1
93.07042	44.8
95.04967	17.3
95.08595	26.8
97.02885	3.2
97.06544	18.1
97.10142	1.8
98.98462	97.8
99.04460	8.8
99.08071	2.6
103.05426	1.8
105.07027	33.3
107.04942	5.6
107.08596	25.2
109.06511	34.8
109.10159	10.3
111.04436	2.4
111.08101	3.3
113.06033	7.7
116.98703	2.1
116.99499	5.9
117.07050	4.9
119.04961	2.3
119.08575	23.4
121.06501	100.0
121.10118	8.6
123.04479	7.3
123.08036	8.8
123.11702	4.7
125.06001	4.4
125.09576	3.3
127.07561	12.8
127.11236	2.6
128.06216	2.0
129.07014	6.5
131.08571	7.5
133.06485	6.0
133.10133	13.8
135.04433	6.3
135.08075	12.3
135.11685	4.9
136.11305	1.6
137.05989	10.0
137.09598	12.6
137.13327	1.9
139.07533	15.1
139.11278	1.9
140.10693	3.7
141.05463	5.9
141.06949	1.8
142.07773	4.6
143.07014	3.0
143.08617	10.9
145.10092	11.3
147.08038	7.3
147.11681	27.7
149.09583	7.1
151.07520	3.3
151.11165	3.1
156.09389	3.5
157.10143	16.5
159.08090	2.8
159.11746	2.0
161.05980	2.8
161.09586	3.1
161.13252	16.7
163.11223	3.1
163.14868	3.5
165.07018	2.2
165.12784	5.0
166.07768	3.4
166.12337	1.7
171.08034	3.4
171.11710	19.4
173.09554	2.6
173.13176	2.4
174.99242	5.2
175.07278	1.5
175.11188	18.7
176.98860	1.5
179.06973	2.1
179.10675	4.0
181.10071	5.3
184.08821	2.5
189.12723	24.0
189.16423	2.3
193.12271	19.2
197.11739	7.9
199.11151	32.9
207.13777	12.7
211.13341	2.1
217.12234	95.0
217.15826	3.8
235.13290	46.1
235.16847	9.8
253.08524	2.8
253.14302	29.6
253.17769	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	253.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01875	1.4
55.05511	2.4
56.05038	0.7
56.96563	26.5
57.03431	2.4
57.07067	2.0
60.04521	1.0
60.95845	0.7
61.02922	2.9
66.58717	0.5
67.05507	1.9
69.03426	5.5
69.07059	1.1
70.06601	1.2
71.04978	1.0
71.38045	0.5
71.38375	0.7
71.95264	1.8
72.08150	0.8
73.02915	2.6
73.06554	7.9
74.97604	1.0
75.05646	0.4
76.56979	0.4
76.64150	0.4
79.05489	0.9
80.05000	0.8
81.03413	2.6
81.07048	2.1
82.06575	1.0
82.74295	0.5
83.04971	0.8
83.06105	0.6
83.08607	0.5
84.04511	0.9
84.08141	1.9
84.96059	0.6
85.02903	22.0
85.06542	0.7
86.09725	0.6
87.04465	1.3
89.05998	0.5
91.03965	0.9
91.05474	1.2
91.07613	0.5
92.14806	0.5
93.07056	0.8
94.06585	0.5
94.45123	0.4
95.04972	0.8
95.08604	2.2
96.26683	0.5
97.02900	7.3
97.06523	0.5
97.99181	0.8
98.06037	0.4
98.97587	38.4
98.98467	33.4
99.04459	1.7
100.93384	0.5
103.03943	0.7
105.07044	0.9
107.05033	0.6
107.08609	0.6
109.02901	1.9
109.06530	0.6
109.10170	1.0
110.06036	1.0
110.07205	0.6
111.04482	0.8
111.08088	0.4
112.99165	0.4
115.03934	0.4
115.97891	0.4
116.00230	1.0
116.98620	61.3
116.99374	2.1
117.98995	0.5
119.01865	1.0
119.04931	1.4
120.08096	0.6
120.97963	0.5
121.06475	0.5
123.04453	1.1
123.05419	0.5
124.07673	0.5
125.07111	0.5
127.03915	5.3
127.08593	0.5
128.02330	0.5
128.98607	0.9
130.08585	0.5
131.00200	0.7
133.10168	0.6
134.06026	0.6
134.99654	100.0
135.99968	0.5
136.07553	1.8
137.05968	1.2
140.00169	2.8
141.05482	0.7
145.04951	6.0
146.99649	1.8
147.04391	2.0
149.01208	1.2
150.05519	1.1
151.07518	0.6
152.07037	1.0
153.00705	28.4
155.04657	1.0
155.08163	2.5
155.32257	0.5
157.04935	0.6
158.01242	7.6
158.99651	1.5
160.02876	0.5
161.01225	1.1
162.05501	1.5
162.99130	0.4
163.02704	0.5
163.06035	0.9
164.05121	0.7
164.07019	0.5
165.00531	0.8
165.05508	0.5
172.95299	0.5
174.99246	0.5
175.02715	0.5
176.02296	1.3
176.98999	0.9
177.00716	2.2
179.07130	0.8
179.10722	0.6
181.00015	0.6
182.08116	1.1
184.02873	0.7
185.03745	1.0
186.99135	0.6
187.54106	0.5
189.00710	1.6
189.55765	0.5
190.04951	0.6
190.96320	0.5
191.08611	1.2
192.04115	0.4
193.00159	0.4
193.03838	0.6
194.02425	1.0
197.11771	2.1
202.03937	0.5
207.01724	2.6
207.06044	0.7
207.11409	0.6
219.01805	1.2
219.07996	0.6
225.02745	1.1
225.05443	2.2
229.05052	2.6
230.03287	1.1
230.05348	0.5
235.16896	0.6
237.02902	1.3
241.06871	0.6
243.06543	1.3
247.05972	4.1
248.99165	1.1
252.55328	0.7
252.57713	0.7
253.04884	1.8
253.08377	1.5
253.11749	1.7
253.13416	0.8
267.00314	1.2
271.05994	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	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68473	0.4
55.05514	0.8
67.05517	0.4
68.99784	0.7
69.03426	0.5
69.07056	0.8
69.80438	1.9
70.02946	0.9
70.73280	0.3
72.29723	0.4
73.43472	0.4
79.05499	0.5
81.07056	0.9
83.04971	0.6
84.24230	0.4
87.00819	2.8
88.04002	0.5
91.05457	2.2
93.07017	2.0
95.04964	0.5
98.97805	0.6
98.98447	5.6
103.05467	6.4
104.52682	0.3
105.07039	0.7
107.04967	0.8
107.08601	0.6
109.06529	0.5
109.10149	0.9
114.20168	0.4
118.06533	9.4
119.08545	0.4
120.08100	100.0
121.06532	0.5
121.08438	0.5
121.10077	0.7
123.08116	0.8
128.04982	1.3
131.04958	0.6
134.04482	0.7
135.11729	0.6
137.09567	0.5
138.60699	0.4
140.47029	0.4
146.06004	19.3
148.07553	0.5
158.99593	0.4
164.07060	0.4
166.08603	1.8
178.12131	0.4
188.07050	16.0
192.06538	1.2
194.04408	0.5
206.08112	75.5
207.08400	0.6
220.07910	0.5
234.07626	2.7
234.11343	0.5
234.18541	0.6
235.16943	0.5
237.02664	0.4
252.08707	0.7
252.12300	1.3
252.16110	0.3
252.16988	0.5
252.19618	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	252.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.2
57.03427	1.5
57.07061	2.0
57.27558	1.0
58.06587	2.0
67.05490	5.5
69.03421	1.9
69.07060	8.8
70.06578	2.3
70.87610	3.4
72.08125	1.8
78.56768	1.1
79.05489	8.3
81.07055	6.8
83.04966	2.9
83.08585	3.2
85.06582	1.2
87.00823	1.4
87.63651	1.0
88.03970	2.8
91.05473	10.4
93.07036	32.0
95.04968	1.6
95.08598	10.6
96.08089	1.6
97.06518	1.8
97.10159	2.1
97.73643	1.4
98.98463	19.6
99.04410	1.5
103.05447	3.3
104.03451	6.2
105.06996	5.2
106.06569	1.9
107.04945	14.1
107.08590	22.5
109.06470	2.9
109.10142	23.4
111.08068	1.2
112.07594	1.8
114.09145	2.2
116.98609	2.7
116.99461	1.0
118.06520	3.9
119.08579	7.2
120.08095	45.2
121.06498	1.2
121.10111	8.0
123.08042	4.9
123.11685	4.9
125.09651	6.2
128.10712	7.8
131.04915	3.0
131.08559	1.7
133.10074	7.0
134.04439	3.3
135.11681	65.2
136.20332	1.2
137.05963	1.7
137.09612	4.4
139.11172	1.7
143.08568	1.2
146.05988	8.5
147.11708	5.7
149.05986	1.9
149.13226	3.2
151.11176	7.2
163.11174	3.2
165.16391	2.8
166.08569	1.2
175.07423	1.4
175.11075	1.2
175.14859	7.4
180.13831	1.8
188.07060	7.8
189.16360	11.3
192.06575	4.6
193.15836	9.7
206.08107	33.7
207.17426	9.4
209.15378	1.3
210.18407	5.9
217.15875	2.7
234.07661	1.5
234.18529	4.1
235.13318	1.5
235.16946	2.9
237.02844	1.3
252.08777	1.2
252.12186	3.4
252.19568	100.0
253.20099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59506	0.4
63.23404	0.4
65.03941	0.8
69.05468	0.4
69.65671	0.3
69.65924	3.7
70.02943	1.3
74.02440	24.2
84.44275	0.4
85.26822	0.5
88.03989	46.4
91.05478	100.0
92.05798	0.8
98.20665	0.6
98.98456	3.0
116.03452	14.4
120.08105	1.6
133.07613	0.5
134.04485	65.0
136.07574	1.4
139.07080	0.5
146.05984	0.9
156.71884	0.5
157.01189	0.5
206.08116	2.9
234.07579	6.3
252.08601	1.8
252.12405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03668	0.7
61.70649	0.7
65.03933	0.8
69.98994	3.5
70.02939	1.4
74.02437	23.7
88.03987	51.9
91.05476	100.0
98.20795	1.0
116.03445	19.0
120.08094	0.7
134.04482	88.4
136.07516	1.3
146.75505	0.7
178.26852	0.6
192.06728	0.7
206.08096	5.0
234.07591	8.8
252.08794	3.7
255.20619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03940	2.7
55.01862	4.7
55.05496	6.2
55.64573	1.8
56.96566	1.4
57.03436	2.5
57.07074	2.2
59.05000	15.1
61.02916	1.8
67.05504	15.9
69.03422	7.9
69.07052	6.3
69.80554	1.3
69.99883	1.5
71.04988	10.6
71.61108	2.7
76.64021	1.5
79.05486	21.5
81.03391	3.1
81.07055	23.8
83.04958	6.8
83.08624	2.9
84.97656	1.6
85.06543	7.6
91.05474	16.6
93.07041	31.6
95.04975	14.5
95.08594	13.6
96.37413	1.6
97.02898	2.7
97.06500	9.6
98.98466	100.0
99.04454	13.0
103.05453	2.5
105.07028	36.3
106.24895	1.4
107.04955	16.7
107.08582	20.7
109.06516	16.6
109.10146	6.7
111.04381	2.7
111.08060	6.0
113.05991	3.5
115.05464	2.3
116.06201	2.0
116.99486	4.1
117.06998	14.0
117.09048	2.0
119.04952	4.8
119.08581	17.1
121.06496	19.7
121.10129	10.0
123.08054	5.5
123.11727	1.8
125.05990	3.6
125.09650	1.8
127.07545	4.2
128.06224	2.1
129.06995	6.0
130.07782	5.1
131.04913	2.9
131.08559	22.7
133.06474	6.7
133.10083	9.5
135.08051	9.4
135.09950	2.8
135.11707	8.0
137.05988	9.4
137.09590	3.4
139.07545	7.2
141.06961	4.6
143.08530	6.4
144.09338	5.1
145.02809	4.3
145.06479	7.5
145.10118	65.2
147.08041	4.4
147.11682	6.5
148.08760	1.9
149.05943	3.1
149.09579	6.5
151.07527	2.7
151.11139	2.1
153.09056	2.0
154.07759	2.3
155.07141	2.0
155.08472	2.8
157.08583	2.9
157.10097	2.2
158.07291	4.2
159.08017	6.5
159.11682	29.1
161.06032	1.7
161.09668	2.6
161.13181	2.4
163.07521	2.3
163.11180	66.0
165.12698	1.6
169.10168	9.1
171.11682	4.2
172.08839	3.3
173.05930	2.9
173.09630	30.2
173.13246	3.2
174.99236	7.6
175.07561	2.7
175.11218	2.4
177.05446	6.5
177.09045	2.4
177.12737	5.0
179.08611	2.7
182.07286	1.9
187.11169	51.7
187.14806	3.5
189.12756	2.3
191.07033	5.0
191.10670	26.6
191.14320	2.6
193.08492	2.0
197.09613	7.2
205.08524	3.0
205.12231	25.6
207.76067	1.7
215.10683	54.7
215.14207	4.4
215.17905	1.6
233.11705	37.7
233.15276	10.0
234.11984	2.2
251.06879	3.4
251.10748	1.6
251.12769	19.6
251.16254	14.2
251.20200	2.4
252.09328	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32627	0.2
55.01869	0.4
55.05507	0.3
56.96552	0.7
57.03436	1.4
60.04514	0.3
60.61669	0.2
61.02917	1.1
69.03431	2.7
70.05422	1.2
70.06583	2.1
71.01337	0.2
72.08149	0.5
73.02899	0.9
79.05463	0.4
81.03408	1.1
81.07026	0.6
82.07387	0.3
83.04984	0.4
85.02898	13.2
87.04467	0.4
88.07623	100.0
89.07945	0.4
91.05454	0.4
95.06123	0.3
95.78993	0.3
97.02881	2.7
98.98457	10.4
99.04443	0.7
104.30076	0.2
107.04948	0.3
109.02869	1.6
116.98628	0.3
117.07042	0.2
117.98858	0.2
119.08553	0.4
120.08910	0.4
127.03905	3.4
144.08923	0.4
145.04974	1.3
145.10179	0.3
146.10429	0.3
146.99724	0.3
151.05824	0.4
158.10460	0.3
160.12048	0.3
162.05342	0.4
172.18799	0.3
174.99211	0.5
175.07608	0.3
176.07910	0.6
179.52742	0.2
182.99718	0.3
186.13655	0.7
193.53154	0.3
201.00723	0.8
204.07405	0.6
204.14832	0.5
206.11734	0.4
219.01804	0.5
232.11850	0.5
232.14099	3.1
239.05042	0.7
242.10159	0.2
250.08670	0.5
250.12923	1.1
250.15096	0.5
250.19905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.01870	5.0
55.05498	5.8
56.96550	3.2
57.03428	2.3
57.07061	2.1
59.04985	1.3
65.03918	2.1
67.05500	37.3
67.93271	0.9
68.05820	1.4
69.03435	6.9
69.07065	8.1
71.05000	6.4
71.60283	1.5
71.60665	1.6
73.02901	1.1
79.05488	11.9
81.03422	2.3
81.07053	22.1
83.04978	5.5
83.08600	2.4
85.06556	5.9
88.18109	1.0
91.05470	12.1
93.07039	24.1
95.04961	12.9
95.08607	10.7
97.06544	9.5
98.97602	4.4
98.98462	100.0
99.04450	9.6
103.05448	1.4
105.07024	25.6
107.04951	10.1
107.08585	13.9
109.06513	11.5
109.10152	9.4
111.04424	1.7
111.08069	6.2
113.05970	1.3
115.05457	3.2
116.98612	4.8
116.99492	6.5
117.03297	1.5
117.07020	9.8
118.34518	1.0
119.04926	4.2
119.08557	9.4
121.06490	16.7
121.10120	7.3
123.04412	1.6
123.08051	3.8
123.11707	1.8
125.05987	3.3
125.09604	1.5
127.07542	4.0
128.06212	1.6
128.98596	3.1
129.06975	4.7
129.32275	1.0
130.07750	2.3
131.04951	1.6
131.08557	13.8
133.06474	5.5
133.10121	5.8
135.04391	2.4
135.08018	5.0
135.11674	6.6
137.05959	6.5
137.09590	2.9
139.03900	1.4
139.07542	7.9
140.01056	1.7
141.06972	3.6
143.08549	4.9
144.05722	1.9
144.09325	3.1
145.02858	1.5
145.06462	6.6
145.10112	35.2
146.99632	2.2
147.08032	4.0
147.11699	4.6
149.01234	1.5
149.05995	2.5
149.09587	4.6
149.13200	1.4
151.07513	1.8
154.07774	2.9
155.08511	3.5
157.08597	7.7
157.10001	2.5
158.07256	2.3
159.08040	3.5
159.11685	18.9
161.09641	2.6
161.13240	1.5
163.07549	2.2
163.11163	16.6
167.08598	1.2
167.10690	4.2
169.10147	5.1
170.99654	1.6
171.11665	2.1
172.08807	2.0
173.05980	2.3
173.09634	15.0
173.13275	2.0
174.99208	6.3
175.07426	1.3
175.11195	1.8
175.14844	1.2
177.00676	2.6
177.05429	4.5
177.06859	1.1
177.09033	1.9
177.12737	3.4
179.08565	3.0
181.08638	1.9
181.12306	1.2
182.07207	1.3
187.11174	35.9
187.14790	2.9
189.00696	7.2
189.05411	1.7
189.12758	2.0
191.07071	2.1
191.10713	11.4
191.14305	1.5
193.08594	3.3
197.09538	8.1
197.13203	1.3
201.09151	2.1
205.08707	1.5
205.12225	18.0
205.15840	2.8
207.01738	2.0
215.10658	32.7
215.14058	2.2
215.17912	2.0
219.10110	1.2
221.08105	1.3
223.07529	1.4
230.08112	1.6
233.08098	2.5
233.11734	23.5
233.15311	7.3
233.18933	2.2
236.04657	1.4
249.02863	3.0
251.07204	5.0
251.10870	2.2
251.12852	14.4
251.16396	12.0
251.20026	5.2
252.12334	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.14695	0.8
55.05507	6.3
57.07058	2.9
59.04999	2.1
67.05490	5.9
69.03398	0.9
69.07060	10.7
70.69263	3.5
71.04982	3.4
79.05479	3.6
81.07058	12.2
83.05005	1.4
83.08621	6.1
85.06525	3.5
89.75975	1.0
91.05483	8.9
93.07037	19.5
95.04955	1.8
95.08044	1.5
95.08604	21.1
97.06544	1.8
97.10144	3.5
99.04501	1.0
99.08138	1.1
101.47948	0.9
101.59717	0.9
104.10743	1.2
105.07024	25.8
107.08592	23.3
109.02821	1.2
109.06504	3.6
109.10155	12.1
111.08068	1.2
111.11703	1.1
117.07009	2.8
119.08576	53.4
120.08895	1.3
121.10147	16.6
123.08041	1.5
123.11688	3.9
128.06207	1.1
129.06982	2.6
131.08542	2.7
133.06491	1.1
133.10124	35.1
135.08049	2.1
135.11693	25.1
137.05927	1.4
137.09581	2.2
139.07587	4.5
143.08540	2.7
145.10115	6.1
147.08051	2.1
147.11684	24.9
149.09615	1.5
149.13268	3.2
151.07512	2.5
153.09122	8.4
156.09245	1.1
157.10138	3.0
159.11719	3.4
161.09619	2.8
161.13187	4.8
163.11183	1.0
165.09149	5.1
167.10680	2.7
171.11673	1.5
175.11055	2.3
179.10690	5.6
182.56238	1.1
185.13252	4.2
187.14806	3.9
189.12770	2.9
189.16373	100.0
190.16685	1.8
191.10596	1.5
193.12276	6.9
203.14253	2.8
203.17935	3.0
207.13805	2.2
213.12730	1.9
213.16290	1.6
214.38168	1.0
231.13808	10.2
231.17357	9.0
238.34068	1.0
249.11340	1.8
249.14806	1.8
249.18480	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
50.54092	1.2
53.03941	3.1
55.01865	4.6
55.05500	6.6
56.96548	1.9
57.03421	2.0
57.07059	3.8
59.04976	2.5
67.01870	1.9
67.05509	15.9
69.03427	28.3
69.07073	4.5
69.26898	18.0
71.04984	4.0
72.25317	1.6
75.04468	2.1
79.05488	15.1
81.03403	3.0
81.07057	36.8
83.04973	16.0
83.08608	2.8
85.02869	3.0
85.06541	3.0
91.05477	37.4
93.07042	50.3
95.04967	16.0
95.08041	2.3
95.08608	27.5
97.02886	3.4
97.06515	6.5
98.20763	3.1
98.97567	10.6
99.04439	3.9
103.05437	2.2
105.07027	27.9
107.04966	5.2
107.08588	23.6
109.02866	5.4
109.03589	1.3
109.06521	16.3
109.10163	8.2
110.07302	2.7
111.04456	2.1
111.08076	10.8
115.05437	4.1
116.06233	3.9
116.98634	7.9
117.07007	9.8
119.04928	10.5
119.08576	44.5
121.06497	16.7
121.10141	19.3
122.07258	2.3
123.08065	5.9
123.11671	1.7
127.03928	2.6
128.06201	12.1
129.07001	17.1
129.15913	1.5
130.07800	2.0
131.08565	21.2
133.06468	7.9
133.10123	13.7
134.99654	3.9
135.04405	10.1
135.08055	11.3
135.11707	5.7
137.05984	8.2
137.09596	8.3
139.07512	2.2
141.06995	7.6
142.07779	6.0
143.08539	14.5
144.05711	5.9
145.06523	7.0
145.10135	17.9
146.07236	1.6
147.04434	3.2
147.08037	64.9
147.11665	7.6
149.05951	1.7
149.09613	3.2
151.07547	3.2
153.07045	1.9
156.05714	2.3
156.09352	1.9
157.06505	7.2
157.10146	6.5
158.07309	2.4
158.99655	3.4
159.08057	23.3
159.11650	6.9
161.05956	6.5
161.09601	17.1
161.13234	11.4
163.11104	1.6
163.14824	3.9
165.05484	21.1
165.06827	3.2
170.07286	4.9
170.10896	3.4
171.04355	1.8
171.07996	7.1
171.11687	6.1
172.05193	2.5
173.06010	5.8
173.09573	6.8
174.06781	3.3
175.07553	14.3
175.11171	2.7
175.13425	1.4
175.14825	8.1
177.00700	5.7
177.05400	1.8
179.07037	3.4
185.09654	1.9
185.13240	15.8
187.07516	14.5
187.15045	1.3
189.05482	3.5
189.09084	10.2
189.12712	14.2
191.10739	2.5
195.11694	3.2
199.07489	2.0
203.06976	4.7
203.14299	17.3
204.07857	10.8
205.08534	2.1
213.12770	11.0
216.07845	2.8
219.09637	9.2
219.59686	2.8
220.10384	2.1
221.11697	1.8
228.10065	8.3
228.60248	2.1
231.10440	6.9
231.13789	56.2
231.17305	2.1
231.20891	1.8
239.60918	2.2
248.34212	1.6
249.11227	100.0
249.14853	75.8
249.18515	4.1
249.22052	3.2
250.11745	1.8
250.15242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03936	1.2
55.01871	0.9
55.05508	2.7
56.96554	0.8
57.03424	0.8
57.07067	1.6
59.04987	0.9
65.03938	1.7
67.01857	6.2
67.05166	1.0
67.05500	12.9
68.99775	0.9
69.03066	1.0
69.03427	14.5
69.07059	3.4
69.51239	1.4
69.51662	3.2
71.04982	0.9
73.86109	0.5
79.05489	4.5
80.27477	0.5
81.03385	1.0
81.07048	10.1
83.04971	6.2
83.08626	1.7
85.02883	1.5
85.06533	1.1
91.05473	20.8
93.07040	10.3
95.04964	16.8
95.08604	7.5
97.02878	1.2
97.06495	0.9
98.20752	1.3
98.97581	5.6
99.04427	1.0
103.05479	1.6
105.06366	1.0
105.07022	10.6
107.04948	2.3
107.08587	9.9
107.63002	0.5
109.02875	5.2
109.06519	3.6
109.10141	4.7
110.07274	0.7
111.04448	5.3
111.08074	2.3
111.13448	0.5
113.06049	0.8
115.04758	0.6
115.05442	3.3
115.66058	0.6
116.06226	3.3
116.98634	2.9
117.06998	6.1
119.04892	2.8
119.08571	30.3
121.06495	5.4
121.10130	4.5
122.07267	1.4
123.08044	2.2
123.11650	0.7
125.02200	0.6
125.05972	0.6
125.09604	0.7
127.03923	0.7
128.06224	4.6
129.06996	11.8
130.07831	0.8
131.04913	1.6
131.08554	10.1
132.05693	1.8
133.06485	3.6
133.10104	5.2
134.99652	1.5
135.04419	1.6
135.08047	5.6
135.11694	2.4
137.05951	2.6
137.09615	5.4
139.07567	0.9
141.06976	4.2
142.07741	1.8
143.08572	5.0
144.05701	4.4
145.06499	2.9
145.10095	4.7
146.07254	0.8
147.08034	100.0
147.11661	2.7
148.08340	0.6
149.09596	3.1
151.07507	0.8
153.06926	1.6
155.06017	1.0
155.08604	0.8
156.09331	1.3
157.06464	4.3
157.10115	2.5
158.07297	1.2
158.99625	1.3
159.08051	12.0
159.11650	1.9
160.05229	0.7
161.05948	3.3
161.09612	7.5
161.13251	4.8
163.07565	0.8
163.11191	1.0
165.05438	0.9
165.06932	0.8
165.09137	1.4
167.06995	0.9
169.07587	1.0
170.07301	3.1
170.10904	2.6
171.08060	3.2
171.11713	4.1
172.05219	0.6
173.05968	2.0
173.09570	1.7
174.06755	1.4
175.06018	0.9
175.07544	14.2
175.11162	0.8
175.14841	1.3
177.00706	1.9
180.09337	1.1
185.13231	7.1
187.07553	6.4
187.11159	1.1
188.08406	0.7
189.05429	1.6
189.09123	5.3
189.10634	0.7
189.10951	0.8
189.12729	9.3
189.16397	0.7
193.08589	0.6
195.11717	1.8
198.06682	0.7
199.07629	0.7
203.06982	3.1
203.14319	7.2
204.07843	5.0
205.08589	1.1
213.12720	7.5
216.07841	1.0
218.09471	0.7
219.09885	0.7
220.10405	5.1
221.11664	1.3
228.10191	0.9
229.10997	1.1
231.10440	2.7
231.13785	29.9
231.17438	1.2
240.61688	0.9
249.11218	47.5
249.14847	15.1
249.18336	3.3
250.11635	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01865	2.6
55.05503	3.6
56.05038	0.8
56.96561	2.5
57.03431	2.1
57.07072	1.2
58.06601	1.3
59.04996	1.7
59.06122	51.6
59.93111	0.7
60.04517	3.0
67.05499	4.7
69.03418	6.4
69.07050	3.0
70.02877	4.2
70.06573	0.7
71.04992	1.2
72.06898	2.4
72.08141	1.0
73.02904	1.2
79.05489	7.7
81.03412	2.5
81.07053	10.2
81.82030	0.7
82.02158	0.8
82.66267	0.6
83.04985	1.2
83.06092	3.7
83.08586	1.3
84.04478	1.0
85.02901	2.5
85.03526	1.6
85.04021	20.0
85.06522	1.4
86.06062	0.9
87.00826	1.5
87.06846	0.8
91.05478	15.4
93.07037	11.0
95.04954	4.5
95.08601	8.3
97.02888	2.4
97.06548	1.2
97.07664	0.9
98.97581	1.7
99.04442	1.4
99.08100	0.8
100.06348	5.3
101.07132	4.3
103.05460	7.4
104.06222	0.8
105.03374	1.0
105.07025	12.8
107.04947	5.2
107.08599	7.8
109.02861	1.6
109.06473	1.6
109.10165	3.2
109.67118	0.7
111.08096	1.7
115.05437	5.5
116.06242	2.2
116.98634	1.0
117.07023	10.7
119.04943	2.4
119.08559	8.9
120.08057	0.8
121.02294	1.9
121.06506	8.7
121.10154	7.0
122.03629	0.8
123.04420	6.6
123.08064	1.4
123.11756	0.9
127.03901	2.3
128.06235	8.4
129.07008	22.2
130.02817	1.2
130.07745	1.5
131.04950	5.3
131.08559	19.6
132.05688	1.4
133.06496	4.4
133.10120	7.2
134.06017	0.9
134.09671	0.8
135.04410	1.6
135.08051	2.0
135.11705	2.3
137.06013	1.2
137.09628	1.3
141.06972	8.4
142.07777	3.1
143.08545	8.6
144.05693	7.9
144.08093	0.9
145.06480	8.5
145.10109	11.3
146.07275	2.6
147.04407	2.8
147.08023	7.0
147.11667	3.6
149.05960	7.4
149.09595	1.5
151.07469	1.7
152.06151	1.1
153.07004	2.3
155.05971	1.5
156.05656	1.7
157.06491	9.1
157.10110	5.6
158.07286	2.2
159.08049	24.9
159.11649	5.0
160.05280	1.2
161.05962	6.2
161.09619	10.2
161.13292	2.5
162.05440	3.7
162.09154	1.9
163.07515	5.4
165.06929	0.9
166.08675	1.2
167.07101	1.7
169.06433	1.2
169.07675	2.3
169.09953	0.8
170.07260	6.8
170.52858	0.9
171.08055	7.9
171.11708	2.5
172.05174	3.3
173.05951	6.2
173.09607	3.8
174.06760	2.5
175.07550	4.5
175.11160	1.6
175.14795	2.1
177.00668	1.3
185.05984	1.0
185.09691	1.2
185.13242	12.5
187.07529	15.6
187.14859	1.2
188.06937	1.3
189.05484	3.5
189.09106	9.9
189.12770	3.7
189.16379	1.8
190.08635	7.3
191.06975	2.1
191.09126	0.9
191.10677	1.5
193.08705	1.1
195.11708	2.1
198.06786	1.7
199.07576	2.8
201.05444	1.5
203.07019	5.3
203.14278	6.9
204.07826	11.7
205.08603	2.8
207.11316	3.6
209.10437	2.1
213.12711	3.5
216.07800	2.7
218.09406	1.4
219.09958	1.4
221.11720	3.1
223.02788	1.6
231.09918	4.6
231.13763	26.6
231.17450	2.3
232.09709	1.8
234.08900	1.3
249.11305	100.0
249.14919	6.7
249.18272	7.8
250.11641	2.5
260.88635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03917	0.5
55.01860	1.0
55.05497	0.8
56.70888	0.3
56.96562	1.1
57.03421	1.6
59.04987	0.5
60.04502	1.1
62.42401	0.4
65.03939	0.3
67.05491	1.4
69.03426	2.4
69.07044	0.4
70.49546	0.8
70.49935	0.9
71.04980	0.9
73.02928	0.9
75.57635	0.4
79.05492	2.9
81.03410	1.2
81.07056	2.5
83.04965	1.0
85.02892	2.3
88.03979	0.8
91.05479	7.5
92.05791	0.7
93.07031	2.0
95.04977	1.8
95.08589	1.5
97.02896	2.1
97.06514	0.5
98.97581	3.1
99.04414	0.7
102.04917	0.6
102.05533	6.1
103.05296	0.6
103.05951	2.3
105.07030	4.7
107.04951	4.0
107.08595	2.2
109.02888	0.7
109.06538	0.5
109.10078	0.5
110.97582	0.7
115.05443	4.0
116.06226	1.6
116.98608	2.1
117.07010	3.8
119.01798	0.7
119.04931	0.9
119.08588	2.4
121.06485	1.2
121.10133	0.8
123.04391	0.5
123.08067	0.3
127.03925	1.1
128.06210	8.6
128.98599	1.4
129.06998	17.0
130.07790	0.7
131.04922	2.2
131.08565	14.9
132.05688	0.8
132.82417	0.4
133.06479	2.8
133.10144	2.4
134.99596	0.7
135.04407	2.9
135.08047	1.2
135.11641	0.4
141.05400	0.5
141.06979	7.0
142.07779	4.0
143.04919	0.6
143.08571	5.7
144.05696	6.9
144.85831	0.3
145.06490	5.8
145.10143	3.8
146.03590	0.6
146.07265	2.9
146.99652	0.5
147.04402	1.5
147.08012	1.6
147.11671	0.9
149.02824	0.5
149.09567	0.5
152.06178	0.8
153.06969	2.0
155.04834	0.4
155.05940	0.7
155.08562	0.4
156.05710	1.9
157.06479	6.9
157.10117	2.5
158.07245	1.3
158.99586	0.7
159.04446	0.8
159.08051	23.6
159.11661	1.2
160.05168	1.0
160.08727	0.4
161.05962	3.5
161.09624	7.0
163.07536	0.5
167.07124	0.7
167.08383	0.5
168.71187	0.4
169.06366	0.9
169.07703	1.7
170.03377	0.9
170.07259	6.8
170.10913	0.6
171.04399	0.7
171.08022	5.9
171.11687	1.2
172.05173	2.7
173.05962	3.5
173.09624	1.3
174.06819	2.6
175.07545	3.7
177.00711	1.4
177.05412	0.6
178.06264	0.7
182.03331	0.6
184.05261	0.7
185.05992	0.9
185.09595	1.6
185.13251	3.2
186.06732	0.6
187.07541	15.5
188.08282	1.0
189.05449	2.4
189.09100	7.8
189.12767	0.6
190.06265	1.2
191.03891	1.2
191.07025	1.3
191.10646	0.6
192.07849	0.6
193.08597	0.7
195.11780	0.5
196.05177	0.5
198.06769	1.5
199.07526	2.7
201.00575	0.5
201.05510	1.3
203.07021	4.8
203.10645	0.8
203.14253	1.6
204.07814	10.8
205.08633	2.2
206.09393	1.1
207.10220	0.5
213.09138	0.7
213.12688	1.1
216.07823	3.2
217.04883	0.6
217.08673	0.8
218.09468	1.1
219.01804	0.5
219.10139	2.0
221.08067	0.6
221.11707	2.7
228.55087	1.4
231.10208	6.2
231.13785	9.2
231.17310	0.7
234.08864	0.7
237.02759	0.8
249.07019	4.8
249.11215	100.0
249.14752	2.7
249.57182	0.8
250.11525	1.2
258.07574	3.4
269.58328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03936	0.6
57.03422	0.7
67.05480	0.9
69.03436	1.3
69.66141	4.1
79.05456	1.1
81.07037	0.9
85.02884	1.3
91.05480	5.0
93.07050	0.5
95.05000	0.9
97.02861	0.8
103.05429	1.0
105.07046	2.9
107.04956	1.5
113.67800	0.6
115.05441	3.6
116.06212	2.1
117.06984	2.9
119.08569	1.0
121.06488	0.9
127.03864	1.0
128.06213	7.6
129.06989	17.5
130.07770	1.0
131.04915	1.7
131.08546	15.0
132.05728	1.3
133.06482	2.1
133.10106	0.9
141.06985	8.6
142.07767	3.4
143.04890	1.2
143.08562	3.5
144.05695	8.1
145.06464	5.1
145.10121	0.6
146.07225	2.2
147.04434	1.0
147.07967	0.9
152.06190	0.7
153.07014	1.0
155.06003	0.9
156.05632	1.4
156.09293	0.6
157.06491	7.9
158.07245	1.6
159.04453	1.0
159.08034	22.9
160.05226	0.9
161.05904	2.8
161.09621	6.0
165.07056	0.8
167.07018	0.8
169.06404	0.8
169.07646	1.0
170.07245	5.8
171.04381	1.0
171.08018	4.8
172.05190	3.4
173.05951	2.9
174.06723	1.4
175.07539	3.1
185.05984	1.1
185.13225	1.4
187.05853	0.9
187.07529	14.2
188.08237	0.8
189.05455	3.2
189.09087	7.4
190.06242	1.4
191.06987	1.1
193.08624	0.7
198.06763	1.7
199.07533	1.4
201.05452	1.5
203.06961	4.8
204.07802	9.5
205.08505	2.0
216.07722	3.0
217.08728	0.7
218.09450	0.9
219.10176	1.6
221.08067	0.8
221.11697	1.9
231.10184	5.2
231.13564	3.4
249.11197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0755
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
55.01850	0.7
69.03405	3.2
70.65600	2.6
73.02944	0.6
79.05447	1.1
81.03400	1.9
85.02871	3.0
87.00822	1.7
91.05450	1.4
97.02885	1.9
99.04456	0.7
105.07018	5.2
109.02857	1.4
115.05441	21.6
117.06992	2.5
119.04932	2.7
119.08614	1.7
127.03893	2.1
128.06235	0.9
129.06931	1.8
131.08591	0.9
132.05676	1.5
133.06444	2.7
142.07721	0.7
143.04906	54.1
143.08546	1.3
144.05634	1.3
145.06459	2.6
145.10165	1.8
146.03609	4.6
147.04405	5.4
147.08026	1.0
157.10033	1.2
158.99718	0.8
159.11702	0.9
160.05193	14.8
161.05974	27.3
161.09557	0.9
171.04391	31.9
171.08096	1.2
173.05809	0.7
173.09642	0.9
174.06746	1.0
175.07533	46.0
179.06969	2.4
185.13217	1.8
187.07458	0.8
188.04712	2.1
189.05469	14.6
189.08992	1.0
199.03900	2.3
203.07011	100.0
204.07375	1.4
207.06473	1.2
213.12723	1.1
217.04930	14.0
221.08040	5.3
231.06502	1.4
231.10214	1.3
231.13763	5.9
249.07564	74.5
249.15741	26.0
250.08067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	30.0
58.99842	0.8
62.72880	0.7
70.50948	0.7
70.51289	1.9
71.95243	0.8
73.02903	1.2
77.00864	1.0
82.99844	1.4
84.96034	3.4
98.97575	100.0
100.99140	17.6
101.00865	19.9
103.02420	1.7
112.99194	1.1
116.98611	76.0
119.00187	10.3
119.01910	89.6
120.02008	1.8
121.02347	0.6
121.03470	1.3
127.02432	1.1
128.98619	2.0
131.00175	1.5
131.01888	6.7
133.03429	0.9
134.99649	38.2
137.01207	2.0
137.02942	26.0
137.04028	1.3
140.00140	3.0
142.03484	2.3
143.00160	13.0
143.01877	12.7
144.98027	0.7
145.01706	1.0
145.03468	11.0
146.99637	3.6
147.01453	0.8
149.01242	1.0
149.03008	1.8
153.00705	6.1
157.03450	3.0
158.01274	2.7
158.99698	2.9
159.01382	9.0
161.01244	30.0
161.02971	56.4
162.99216	1.4
163.00636	0.9
163.04572	1.7
165.00714	13.4
165.02077	0.6
170.99907	0.7
171.01413	2.7
173.01506	0.6
173.02954	3.3
175.04555	1.1
176.02333	0.6
177.00763	7.4
177.02467	22.0
179.02298	5.1
179.04016	3.0
183.01768	13.6
184.03009	1.5
184.04660	2.2
189.00731	24.2
189.02472	36.2
191.02361	1.2
191.04033	6.8
195.01714	0.8
195.03392	0.8
201.02452	4.4
202.97469	1.3
203.04018	1.5
207.01764	76.1
207.03532	13.1
212.04048	1.5
213.50131	0.8
219.03482	5.9
223.97841	1.9
225.02840	11.3
228.05737	1.6
230.03255	4.0
230.05310	0.9
231.03625	2.0
234.50783	0.8
235.00713	1.1
249.04657	25.3
267.03674	1.8
267.05881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0757
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
53.08153	0.7
54.44439	0.6
55.01849	1.3
55.05495	1.0
56.82658	0.7
57.03425	1.4
58.06568	1.1
59.04982	0.9
61.02898	0.7
67.02872	0.8
67.05493	1.7
67.35415	0.7
69.03429	3.7
70.00499	3.3
72.08143	0.8
73.18358	0.8
78.91988	0.6
79.05468	2.3
81.03393	1.2
81.07059	4.2
85.02879	2.7
87.00805	1.0
91.05471	4.8
93.07027	2.5
95.04959	2.2
95.08582	2.7
97.02886	2.8
99.04466	1.2
103.05443	1.7
105.07015	9.7
107.04929	2.0
107.08569	2.4
109.02871	1.5
109.06493	1.1
109.10159	0.8
115.05441	28.4
117.06995	5.2
119.04923	2.7
119.08559	3.6
121.06502	1.0
121.10097	2.3
127.03902	2.2
128.06181	1.5
129.06987	5.4
130.07758	0.8
131.04909	1.8
131.08553	3.8
132.05717	1.8
133.06474	4.1
133.10123	2.2
135.04424	2.2
135.08005	1.1
137.05980	1.6
142.07796	1.6
143.04915	57.2
143.08536	5.1
144.05624	2.3
145.06465	3.9
145.10118	5.7
146.03613	5.1
147.04408	6.7
147.08011	3.1
149.06010	1.2
156.07578	1.3
157.06448	2.6
157.10129	3.7
159.08069	3.8
159.11687	2.0
160.05182	17.2
161.05972	31.0
161.09612	2.2
171.04404	34.3
171.07906	1.5
171.11700	0.8
172.05003	1.2
173.05994	1.5
173.09599	2.7
174.06773	1.3
175.04041	1.8
175.07541	54.1
177.05444	1.3
177.09044	1.1
179.07040	2.8
185.13243	7.2
187.07542	3.1
188.04686	2.4
189.05470	13.9
189.09081	2.7
189.12723	2.7
195.11722	1.0
199.03912	1.0
203.07019	100.0
203.14302	4.0
204.07645	2.0
207.06534	1.1
213.12747	3.3
217.04967	14.6
221.08170	4.9
231.06516	2.2
231.10176	1.4
231.11655	1.4
231.13809	22.4
231.16141	1.1
249.07576	83.4
249.11232	11.1
249.15033	4.6
249.18280	1.0
250.07808	1.3
269.22849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	34.7
57.03438	6.9
61.02908	4.1
65.68819	0.9
69.03409	3.3
69.33077	1.0
70.06571	2.2
71.60941	1.3
71.95256	1.2
73.02911	14.3
84.96027	3.4
85.02872	1.8
97.02878	1.7
98.59734	1.0
98.97578	100.0
100.99131	16.7
101.00859	2.9
103.02432	1.7
105.07039	1.2
108.89466	0.9
110.97580	1.3
112.99133	2.3
116.07084	2.5
116.98614	75.2
119.00174	8.8
119.01923	11.4
128.98616	3.1
131.00128	4.0
131.01888	2.2
133.03464	4.2
134.99649	34.5
137.01189	1.2
137.02942	2.6
140.00185	2.2
143.00163	11.1
143.01860	2.3
145.03400	3.2
146.99612	3.9
149.01196	3.7
153.00674	6.4
155.01883	2.8
157.03438	2.4
158.01242	2.0
158.99614	3.2
159.01408	1.2
161.01204	28.7
161.02908	6.7
162.99174	2.1
165.00682	13.2
167.54381	1.4
173.02991	4.0
174.04547	1.4
175.04506	1.3
177.00766	7.4
177.02145	1.5
177.05011	2.0
179.02255	7.7
183.01781	11.4
183.04980	1.8
185.03008	6.4
185.13237	1.3
189.00711	23.1
189.02347	1.2
195.01697	1.3
207.01749	72.9
222.56796	1.1
225.02838	12.4
230.03348	4.1
231.03593	1.7
231.13770	3.7
245.05028	7.6
249.03511	9.7
249.08180	2.6
249.14432	3.4
253.56659	1.1
267.03833	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16595	1.2
55.74897	1.1
56.96564	28.6
57.03430	3.7
58.98468	1.2
61.35127	1.1
71.57290	1.3
71.57686	2.7
73.02910	6.3
84.96039	3.0
97.02859	2.1
98.97578	100.0
100.99141	16.5
101.00887	2.8
112.99152	1.4
114.36686	1.3
116.98611	73.8
119.00193	7.4
119.01904	15.7
121.46933	1.3
128.98622	2.6
131.00208	1.5
134.99657	35.1
135.00655	2.4
137.02953	3.4
140.00198	3.5
143.00148	15.8
143.01883	3.4
145.03464	2.3
146.99632	3.6
149.01201	2.3
153.00679	6.1
155.01849	1.2
158.01300	2.4
158.99675	3.6
161.01225	33.4
161.02945	10.6
162.99088	1.4
165.00703	14.3
173.01114	1.2
173.02983	2.3
177.00705	9.5
177.02426	3.6
179.02225	6.0
183.01744	13.1
189.00720	28.0
189.02477	5.8
191.04031	1.3
203.04033	2.2
206.03685	1.3
207.01758	93.5
225.02768	13.8
228.05788	1.4
230.03314	5.6
231.13824	3.0
245.05154	3.8
249.02536	2.2
249.04568	4.2
267.03876	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	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.67290	0.7
55.05514	4.3
59.04999	1.3
67.05487	2.7
69.03413	1.5
69.07054	2.1
69.43102	7.4
71.04973	0.9
79.05479	3.5
81.07057	2.1
83.04966	1.6
83.08580	1.0
85.06547	2.0
91.05470	11.1
93.07025	4.0
95.04954	2.0
95.08591	3.3
103.04742	0.8
103.05436	1.8
105.07020	38.8
106.07401	0.9
107.08585	7.0
108.08063	1.0
109.06505	10.6
112.07592	1.0
117.07024	2.8
119.08574	42.0
121.06497	1.0
121.10132	6.6
122.09661	0.9
123.08057	6.6
123.11711	2.2
129.06978	2.2
129.36266	0.8
131.08556	3.7
132.09364	1.8
133.06451	1.3
137.09621	1.9
143.08540	2.3
145.10100	7.6
146.09593	0.8
147.11676	59.7
149.09608	3.1
150.09081	1.0
151.07518	2.0
156.09340	1.9
159.08040	1.7
159.11688	0.9
161.13254	1.1
162.12801	1.2
163.11157	4.4
164.10681	1.7
165.12700	3.2
171.11635	2.2
172.11143	1.0
183.27139	0.7
185.13176	1.0
186.12804	1.1
187.07451	1.0
187.11177	1.1
189.09103	2.4
189.12747	5.5
203.10820	1.2
204.13834	2.7
206.15359	3.4
207.13774	19.8
211.65213	0.8
212.14314	1.0
216.13812	0.9
230.15408	3.9
231.10173	1.2
248.16443	100.0
249.11156	5.3
249.16913	1.2
263.04730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16595	1.2
55.74897	1.1
56.96564	28.6
57.03430	3.7
58.98468	1.2
61.35127	1.1
71.57290	1.3
71.57686	2.7
73.02910	6.3
84.96039	3.0
97.02859	2.1
98.97578	100.0
100.99141	16.5
101.00887	2.8
112.99152	1.4
114.36686	1.3
116.98611	73.8
119.00193	7.4
119.01904	15.7
121.46933	1.3
128.98622	2.6
131.00208	1.5
134.99657	35.1
135.00655	2.4
137.02953	3.4
140.00198	3.5
143.00148	15.8
143.01883	3.4
145.03464	2.3
146.99632	3.6
149.01201	2.3
153.00679	6.1
155.01849	1.2
158.01300	2.4
158.99675	3.6
161.01225	33.4
161.02945	10.6
162.99088	1.4
165.00703	14.3
173.01114	1.2
173.02983	2.3
177.00705	9.5
177.02426	3.6
179.02225	6.0
183.01744	13.1
189.00720	28.0
189.02477	5.8
191.04031	1.3
203.04033	2.2
206.03685	1.3
207.01758	93.5
225.02768	13.8
228.05788	1.4
230.03314	5.6
231.13824	3.0
245.05154	3.8
249.02536	2.2
249.04568	4.2
267.03876	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1325
Annotation	Cannabispirone
Peak:m/z	Relative Intensity
55.01853	2.6
55.05494	7.5
56.96561	2.6
57.03413	3.6
57.07061	3.9
61.55091	1.7
67.05482	8.6
69.07058	8.6
69.76453	10.4
70.63494	1.7
71.04964	2.3
71.08660	1.6
79.05476	3.5
81.07049	6.2
83.04954	3.2
83.08581	3.2
85.06539	3.9
88.28522	2.1
91.05466	6.0
93.07047	4.6
95.04939	1.9
95.08591	3.8
97.91313	1.7
99.08115	5.1
103.05462	22.9
104.99252	3.4
105.07005	5.6
107.05029	2.1
107.08559	3.5
111.08016	1.9
115.05448	4.3
117.07027	8.8
119.08575	3.0
120.43094	1.5
121.06515	3.6
121.10103	2.6
123.04404	17.8
128.06183	3.1
129.07016	3.5
131.04915	42.3
131.08507	9.3
133.06459	2.0
135.04433	3.3
135.11687	2.6
137.05962	4.9
141.06995	6.0
143.04951	2.7
143.08580	4.8
145.06485	17.9
145.10123	3.9
147.04407	3.8
147.08035	1.8
149.05959	49.2
151.07524	2.6
153.06845	2.4
154.07732	3.2
155.08516	8.2
157.06480	1.8
159.08008	12.5
159.11697	3.9
160.05154	5.1
161.05972	32.2
161.09605	1.8
163.03882	9.5
163.07532	26.8
168.09273	1.9
169.06467	4.6
171.08029	2.3
173.05968	17.8
173.09563	2.4
173.13246	2.3
174.06625	1.8
175.07535	10.8
177.05452	59.3
177.08998	12.1
178.06226	9.5
179.06998	5.2
181.06429	2.1
182.07245	2.1
183.11674	8.0
185.05835	2.2
185.09573	1.7
187.07524	39.6
187.11185	5.3
189.09081	11.4
191.07002	10.0
191.10666	2.4
194.76511	1.7
200.08324	4.5
201.09062	6.6
201.12726	4.9
201.16429	2.5
203.10641	15.1
205.08588	7.0
205.12256	2.9
211.11145	12.8
219.13795	16.7
229.12227	45.6
244.70245	2.1
247.05997	2.9
247.13271	100.0
247.20726	2.8
247.24379	3.2
248.13487	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03936	1.8
53.57749	0.8
55.05511	7.7
56.04453	0.8
56.96558	1.7
57.03443	1.3
57.07054	3.1
64.28740	0.8
65.88406	0.8
67.05500	26.7
69.03428	1.2
69.07068	9.5
70.57168	3.4
71.04980	1.9
71.08602	1.2
73.52684	0.8
79.05490	38.4
79.05956	2.2
79.12030	1.0
81.07052	32.6
82.53967	0.9
83.08619	6.3
85.06523	3.2
91.05476	19.7
93.07043	56.8
95.04956	4.1
95.08601	25.2
97.06508	2.5
97.10145	2.2
99.08096	4.6
104.99274	2.2
105.07018	17.4
107.08588	38.1
109.06490	3.3
109.10156	10.7
111.08048	2.6
117.07010	7.2
119.08582	15.4
121.10143	33.9
123.08061	1.4
123.11694	3.6
125.09603	1.2
129.07018	1.5
131.08562	11.9
133.10139	13.5
135.08063	1.2
135.11693	32.8
137.09598	2.6
139.11179	1.1
143.08510	2.9
144.09297	1.1
145.06459	1.3
145.10107	14.5
147.07965	1.0
147.11681	14.0
149.13249	28.8
151.11148	1.3
159.08038	1.5
159.11687	15.8
161.13223	5.6
163.07491	1.5
163.14821	8.5
165.12804	1.7
173.09718	1.1
173.13231	11.5
183.11694	1.7
187.11104	1.7
187.14804	5.0
189.09070	3.0
189.16338	1.6
191.14322	1.0
201.12749	2.5
201.16422	4.9
201.63019	0.9
211.11307	1.2
219.21121	2.2
229.12163	5.4
229.19504	33.9
247.06085	2.7
247.13248	5.3
247.16763	2.8
247.20561	100.0
248.20819	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Isocannabispiran
Peak:m/z	Relative Intensity
55.01874	3.5
55.05513	3.0
57.03428	6.0
57.07063	4.9
60.50088	2.9
63.68177	2.9
67.05494	4.3
69.07054	2.9
69.88515	15.3
71.04981	6.7
71.08630	6.7
81.07053	4.5
91.05465	7.4
93.07040	2.7
95.08591	3.5
98.20789	3.6
103.05437	14.4
109.10115	4.5
115.05442	11.1
117.07020	28.5
119.08539	3.5
123.04415	22.1
124.19871	3.2
128.06213	3.5
129.07002	6.3
131.04932	23.7
131.08572	14.5
132.05573	2.7
137.05960	3.8
141.06976	6.6
143.04921	3.5
144.05682	3.5
145.06479	61.4
145.10065	4.0
147.08055	5.2
149.05975	59.1
154.07869	2.9
155.08588	5.2
157.06453	4.0
159.08061	27.3
160.05225	5.9
161.05972	94.5
163.07536	100.0
173.05978	21.8
173.09576	3.6
175.07549	10.1
176.08366	4.1
177.05467	21.8
177.09082	35.4
183.08087	4.1
183.11671	9.3
186.06847	3.4
187.07478	13.1
189.05447	3.9
189.09082	22.5
191.06975	15.0
191.10670	11.9
193.10010	2.9
200.08131	4.7
201.09122	6.2
201.12723	16.4
203.10669	12.8
205.08588	9.9
205.12172	4.6
211.11220	6.4
217.12238	3.3
219.13811	84.4
229.12222	43.5
247.13274	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03943	6.5
55.01871	27.3
55.05503	6.9
56.96569	4.1
57.07044	2.8
67.05494	9.9
69.03440	3.4
69.07066	46.1
70.04166	2.4
70.35523	10.0
71.04997	3.4
73.66596	2.5
77.03846	2.8
79.05490	25.1
79.37288	2.5
81.07069	13.1
83.04971	26.8
89.85296	2.4
91.05484	41.9
93.07040	41.3
95.04969	16.0
95.08610	5.2
97.06534	53.0
99.07468	4.4
99.08091	68.1
100.75152	2.2
103.05468	86.6
104.99276	6.0
105.04513	2.8
105.07037	19.6
107.04942	9.4
107.08590	7.8
117.06995	6.7
119.04945	7.1
119.08555	6.9
121.02884	3.2
121.06501	100.0
121.10102	4.1
123.04420	18.6
131.04936	23.4
131.08568	8.4
132.05714	3.5
133.06482	8.1
133.10153	6.2
135.04431	4.1
135.08031	3.0
135.11700	3.0
138.27975	2.5
143.08554	8.8
143.36496	2.6
145.06458	5.7
145.10118	6.9
147.08026	7.9
149.05977	95.3
150.06731	18.7
151.07532	17.7
155.08571	4.7
159.08022	7.7
159.11678	7.0
161.06012	4.2
163.07547	14.4
173.06004	5.6
173.09593	3.5
173.13281	5.1
177.05460	23.6
177.09038	4.5
187.07532	22.8
187.11163	2.8
189.09082	8.0
191.07007	4.2
201.00662	2.9
201.12708	8.1
201.16396	3.8
203.10759	3.2
229.12234	34.1
229.19553	3.6
247.05994	4.0
247.13229	22.8
247.16902	8.6
247.20604	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	247.1327
Annotation	Cannabispirone
Peak:m/z	Relative Intensity
55.05499	5.5
57.03439	3.4
57.07052	4.9
67.05508	14.6
69.07056	10.6
70.19284	8.5
71.04994	12.4
76.83161	1.8
79.48669	1.8
81.07039	4.9
83.08633	2.9
85.06538	11.6
91.07327	1.7
98.21440	3.1
103.05481	4.1
105.07047	3.6
115.05463	2.9
115.33175	2.1
117.07010	8.8
123.04422	20.9
129.06993	8.1
131.04947	10.1
131.08586	2.7
133.06496	2.4
137.52425	2.0
141.06972	3.9
145.06485	26.5
145.10126	4.7
149.05972	28.4
149.45483	2.1
153.07019	4.3
154.07788	17.8
155.08539	35.7
157.06551	2.4
159.08061	8.4
160.05165	5.3
161.05977	40.8
163.07527	32.3
168.09222	3.3
169.06493	8.9
173.05984	30.6
173.09628	5.8
174.06761	7.8
175.07532	22.9
177.05435	7.0
177.09090	9.3
179.44038	2.4
181.06476	7.0
182.07294	6.6
183.08037	6.0
183.11667	31.3
184.08395	2.0
185.09637	2.2
186.06921	2.6
187.07516	22.8
188.08316	3.1
189.09143	11.9
191.10664	16.6
193.10095	3.7
196.08888	2.6
200.08337	12.4
200.57872	2.1
201.09053	6.3
201.12793	5.2
203.10658	55.3
205.12263	3.2
211.11163	54.7
217.12177	2.4
219.13780	2.8
229.12221	100.0
229.40930	2.0
247.13301	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03928	2.8
55.01879	1.5
55.05490	3.0
57.07060	1.1
60.04506	3.5
65.03926	3.4
67.05488	3.4
69.03426	16.4
70.41016	0.9
70.76137	3.2
77.67355	1.0
79.05490	6.9
81.07034	7.4
83.04971	15.1
85.06515	1.4
91.05473	15.8
93.03403	4.7
93.07042	11.6
95.04961	4.9
95.08604	2.2
97.02889	6.5
102.05538	20.2
105.07025	12.9
107.04934	1.4
107.08585	11.5
109.02874	18.5
109.06510	10.7
109.10143	2.5
111.04400	5.3
111.08048	1.2
115.05446	2.4
116.06229	1.6
117.07008	9.0
119.08572	17.2
121.02853	3.2
121.06507	18.2
121.10120	7.2
128.06210	3.0
129.06998	5.6
130.07817	1.4
131.08548	17.3
132.05676	1.7
133.10124	12.8
135.07085	1.9
135.08046	22.5
137.06009	5.8
137.09602	3.1
139.03917	1.7
141.06993	2.4
142.07822	2.1
143.08556	9.9
144.09354	10.5
145.06499	8.6
145.10123	10.5
147.08041	4.7
149.05891	1.0
149.09613	23.1
150.10394	3.9
151.11160	4.4
153.06960	2.0
153.09071	1.6
154.07732	1.4
155.08524	5.1
156.09258	2.0
157.10133	3.8
158.07291	2.4
158.10913	13.6
159.08069	9.6
159.11684	28.2
160.08853	2.5
161.09570	3.8
163.07529	21.7
163.11148	1.6
165.09117	2.5
167.08665	1.2
168.09320	4.3
169.10161	1.6
170.10919	5.0
171.08066	6.6
171.11694	1.7
172.08830	16.6
173.06218	1.2
173.09631	28.7
173.13251	40.7
175.03804	1.8
175.07590	1.6
183.11673	7.8
185.09727	1.5
185.13240	3.6
186.10384	24.9
187.07558	3.3
187.11176	100.0
188.11646	1.4
189.09114	2.2
191.07019	22.1
193.10130	1.5
196.08772	5.6
199.07500	1.4
201.12730	64.5
202.13193	1.5
203.14241	2.7
205.12233	7.7
211.11151	9.8
214.09892	4.1
219.13683	5.3
229.12216	70.6
230.12526	1.3
247.09705	3.2
247.13281	69.1
248.13707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
55.01871	4.7
55.05508	18.3
56.96575	7.4
57.03418	3.2
57.07083	3.5
57.15884	2.9
67.05495	8.5
69.03411	4.3
69.07056	7.8
70.60198	8.7
79.05495	11.2
81.07059	12.5
83.04981	53.9
83.08601	3.7
91.05482	19.5
93.07044	8.9
95.04959	9.0
95.08601	5.2
97.06554	6.0
99.08103	4.9
103.05474	13.1
104.99266	7.8
105.07042	10.7
107.04995	3.4
107.08596	8.0
109.06532	3.9
109.10158	2.7
115.05455	9.8
116.98725	2.8
117.07011	19.3
119.08573	5.8
121.06532	7.4
121.10203	4.1
123.04447	8.6
128.06207	3.5
129.06998	12.3
131.04927	10.3
131.08595	15.2
133.10092	4.2
135.04428	2.8
135.08073	10.5
137.05952	4.1
141.06908	6.7
143.08505	5.3
145.06512	29.8
145.10124	8.0
147.04378	9.0
147.08035	3.7
149.05994	13.7
151.07535	3.4
153.05588	3.6
153.06992	6.5
155.08548	6.9
155.51791	2.9
157.06453	5.4
159.08032	16.9
159.11665	7.8
161.05948	7.9
161.09753	3.5
163.07550	86.1
164.02039	2.7
168.09297	8.6
169.01366	5.6
169.10155	4.6
171.08052	5.1
172.08658	3.1
173.05989	15.1
173.09630	5.8
173.13316	4.4
175.07559	7.6
177.05476	100.0
177.09009	14.3
177.12682	2.9
181.08646	3.6
182.07321	4.9
183.11697	10.8
185.09587	2.8
187.07512	18.6
187.11182	5.9
188.08334	8.3
189.09093	9.5
191.07047	15.2
193.10164	4.2
196.08768	5.4
201.00752	5.1
201.09225	6.1
201.12772	11.6
201.16321	3.2
203.10722	5.2
205.08629	7.5
205.12270	4.3
211.11214	26.0
219.13809	9.5
229.12216	26.0
229.19550	3.2
247.06027	4.2
247.09573	5.5
247.13271	55.0
247.17053	6.6
247.20549	9.2
247.24411	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	247.1327
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
52.43167	1.8
53.03938	4.9
55.05490	5.5
65.03925	3.2
67.05483	6.8
69.03429	16.1
69.07057	3.4
71.63395	2.7
77.30193	1.8
79.05490	8.6
81.07052	14.3
82.79807	1.8
83.04977	15.1
91.05469	14.9
93.03375	4.7
93.07035	17.5
95.04947	8.1
95.08574	6.8
97.02857	6.7
97.06478	2.5
98.97591	3.0
105.07034	18.7
107.04875	3.0
107.08583	18.1
109.02882	19.5
109.06525	15.3
109.10155	4.6
111.04447	4.6
115.05431	1.9
117.06998	8.3
119.08572	22.0
121.02863	3.8
121.06515	15.5
121.10158	12.5
123.08076	2.2
129.06999	5.8
131.08560	21.0
132.05670	2.0
133.10127	14.7
135.08058	29.3
135.11702	2.9
137.05916	6.9
137.09566	3.0
141.06924	4.7
142.07774	3.3
143.08548	13.2
144.09331	11.1
145.06467	9.5
145.10146	14.6
147.08028	6.0
147.11693	4.0
148.62180	1.8
149.09627	22.3
150.10371	2.5
151.11186	3.9
153.06995	3.2
155.08519	6.5
156.09361	2.6
157.10075	4.2
158.10886	14.3
159.08063	13.9
159.11684	32.0
160.08809	5.5
161.09555	3.7
161.13251	3.0
163.07526	19.7
165.09181	2.8
168.09320	4.6
170.10898	4.0
171.08015	7.8
171.11557	2.4
172.08818	17.6
173.05951	3.3
173.09650	27.1
173.13254	39.7
175.07501	1.9
181.06496	2.2
183.11731	10.0
185.13158	3.0
186.10399	19.3
187.07550	3.8
187.11176	100.0
187.14796	3.1
189.09027	4.4
191.07039	23.9
191.08617	3.5
196.08836	3.2
201.12737	58.4
205.12300	9.6
211.11118	13.2
214.09834	2.5
219.13783	7.0
229.12231	67.4
229.15703	2.7
229.19443	2.1
247.07695	2.8
247.13271	63.8
247.16820	6.2
247.20598	4.2
247.24159	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	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94564	0.5
54.26880	0.4
55.01881	0.5
55.05515	1.5
56.64818	0.4
56.96565	100.0
57.03440	1.4
57.07084	0.7
58.85764	0.5
59.83443	0.6
60.16739	0.4
67.05502	1.0
69.03427	3.5
69.07065	0.8
70.06584	1.2
70.98120	7.1
71.59435	0.9
71.95256	0.7
72.08150	1.1
73.02927	2.3
74.97607	8.2
79.05496	0.9
81.03423	0.9
81.07048	1.7
83.04964	0.9
84.04499	0.9
84.08143	5.4
84.96033	4.9
85.02909	3.5
85.06547	1.3
86.09697	2.5
86.97612	1.7
87.04435	0.5
88.99152	7.1
91.05486	1.7
92.98662	1.7
93.07045	0.8
95.04966	1.2
95.08604	1.2
97.02897	3.3
97.06515	0.8
97.99150	0.7
98.02407	0.6
98.97582	4.6
99.04465	0.5
100.99141	4.8
102.97071	1.3
105.07035	1.6
107.00193	3.7
107.04925	0.5
109.02856	0.5
109.06477	0.8
110.97573	1.7
111.04487	0.7
115.00736	0.6
115.03929	1.0
115.05375	0.5
116.98615	5.9
117.07020	1.1
119.00186	10.2
119.01926	0.9
119.08543	1.3
121.01660	1.0
121.02811	1.0
121.06505	0.7
121.10157	0.6
125.01274	0.8
125.02341	0.6
126.97034	0.7
127.03929	0.8
128.98616	7.1
129.07001	0.7
130.08646	1.5
130.96542	2.1
131.00172	0.6
131.08546	2.1
132.10242	0.8
133.01750	3.6
134.99666	6.7
137.01216	3.0
137.05995	0.7
141.01027	0.5
142.01875	0.6
142.07707	0.6
142.08678	0.8
143.00148	0.9
143.08563	1.0
144.98083	13.5
145.10107	1.5
146.99644	12.3
148.97585	4.7
149.05962	0.8
150.05357	0.6
151.02821	1.0
153.00687	2.2
158.99661	1.2
159.03145	0.9
159.08075	0.9
159.11717	1.2
161.01199	4.0
161.03020	0.5
161.04662	0.7
161.09628	0.7
162.99144	34.2
165.00713	5.5
166.55327	0.5
166.98611	4.3
170.01263	1.0
173.05974	0.8
174.99144	0.7
177.00645	2.9
177.04213	0.9
179.02260	1.6
181.00201	25.2
183.11609	1.8
186.00699	1.8
186.99113	2.6
187.07552	0.8
187.11165	1.5
189.00618	0.8
189.09077	1.7
199.01239	5.0
201.00742	1.5
201.12675	2.6
204.01788	2.0
205.00194	25.1
205.03514	0.9
205.03842	1.2
205.12187	0.8
212.08952	0.5
217.05510	0.7
219.01819	2.0
219.13841	0.7
222.02832	0.7
223.01248	77.9
224.01765	0.5
226.06003	0.8
228.01772	2.6
229.05042	1.8
229.12210	3.4
232.03609	0.9
237.02817	2.0
238.06157	0.6
241.02315	13.7
246.02843	5.6
247.01169	3.7
247.06122	4.0
247.10010	1.0
247.13356	4.1
247.16507	0.7
247.20230	3.8
265.02243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50354	0.4
55.01867	2.9
55.05492	0.8
56.05025	0.5
56.96555	1.9
57.03423	1.9
67.05503	0.6
68.05016	0.4
69.03424	7.9
69.07059	0.8
70.06581	1.1
70.72453	1.2
71.08620	0.5
72.04498	0.5
72.08149	0.8
73.02899	1.0
79.05489	2.3
80.05009	0.4
81.03414	0.5
81.05813	0.5
81.07053	2.3
81.47346	0.4
82.02893	0.6
82.06576	1.4
83.04976	0.5
84.04478	1.2
84.08137	1.5
85.02872	0.6
86.06062	0.7
87.04464	4.2
88.07597	0.5
88.17667	0.5
89.82121	0.4
91.05441	0.4
93.07040	0.4
96.08125	6.8
97.02866	0.7
97.06519	5.0
98.06059	0.4
98.09727	0.5
98.21492	0.4
98.97621	0.6
100.03974	0.6
100.07615	0.7
104.07095	0.7
105.06998	0.5
111.04463	0.7
112.14649	0.4
114.09129	0.6
115.05422	0.5
116.98647	0.9
117.06997	0.5
120.39846	0.4
124.07584	15.1
125.05990	6.3
127.03953	0.5
134.99655	0.5
137.05989	0.5
142.08620	100.0
143.07019	0.9
143.08983	0.5
160.09683	20.3
161.01286	0.4
163.04024	0.5
166.08705	0.6
168.06583	1.6
182.06018	0.5
186.07549	1.9
190.09357	0.6
210.11230	10.0
211.11761	0.5
225.07025	0.4
228.12256	4.2
246.05161	0.6
246.08307	1.7
246.13397	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	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29759	0.4
53.03931	0.5
53.36826	0.5
55.05506	0.7
56.96561	100.0
57.03432	1.9
61.02916	1.7
67.05509	0.4
69.03429	1.7
70.06593	1.6
70.50202	1.2
70.98116	10.9
71.04991	1.2
71.95257	1.0
72.08147	2.7
73.02901	1.7
74.83044	0.4
74.97597	6.0
81.03412	1.5
81.07037	0.9
84.04499	0.5
84.08130	1.0
84.96029	6.5
85.02909	2.4
86.03687	0.8
86.09700	1.6
86.97582	2.0
87.04436	0.4
88.99157	6.3
92.98640	1.2
97.02904	0.8
97.99182	0.9
98.97575	6.0
99.04447	0.7
100.99131	6.1
101.00869	0.8
102.97061	0.9
105.00320	0.5
107.00175	2.7
109.02880	1.0
110.97569	3.6
111.02022	0.5
112.95547	0.6
115.00746	0.6
116.00157	0.4
116.98620	5.8
118.99380	0.8
119.00172	7.5
119.01919	4.1
120.98056	0.4
121.01656	1.5
126.97056	0.8
127.03932	1.2
128.98599	9.4
129.03880	0.5
130.08652	0.5
130.96507	3.1
131.00169	0.5
131.01862	1.1
133.01718	4.5
133.03421	0.8
134.99644	3.6
137.01256	0.9
137.02890	0.8
142.08630	1.1
143.00165	0.6
144.98073	23.7
145.01616	0.5
145.03403	1.0
146.99626	7.6
148.97600	5.3
149.01286	0.5
150.99130	0.5
151.02747	1.5
153.00671	0.7
155.00157	0.8
157.03465	0.9
158.99631	1.4
159.03264	1.1
161.01199	3.4
161.02957	1.2
162.99139	41.2
165.00671	1.8
166.98665	2.2
173.01282	0.9
173.02928	1.1
174.99179	1.3
175.02776	0.6
175.04504	0.9
177.00694	2.5
177.04227	1.1
179.02275	1.9
179.05679	0.5
180.98541	0.8
181.00185	16.4
182.99637	0.6
186.00757	0.9
186.99121	3.8
187.00717	0.8
187.02678	0.7
189.00627	0.5
193.00185	1.4
197.06587	0.9
199.01140	2.1
199.06190	0.9
201.00694	4.1
201.02365	0.9
204.01743	0.7
205.00186	28.6
206.07144	2.7
215.00366	1.4
215.07706	2.5
217.57884	0.7
219.01755	1.9
223.01231	74.7
224.01846	1.3
226.58130	0.5
228.01741	2.1
229.03259	2.4
229.11977	0.6
241.02278	12.9
246.02788	3.7
247.01215	3.6
247.04230	12.3
247.06548	0.7
247.08083	1.1
247.13831	2.1
265.02234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16336	0.6
52.28684	0.4
55.01861	1.9
55.05498	1.1
56.05027	0.8
56.85439	0.5
56.96558	2.9
57.03421	1.4
57.07060	0.6
59.21636	0.5
67.05486	0.7
68.05034	0.8
69.03423	8.8
69.07057	1.5
70.06584	1.1
71.59097	0.9
72.08142	0.5
73.02910	0.8
74.22240	0.5
74.97600	0.8
79.05482	1.5
81.03394	0.5
81.07048	3.1
82.02943	0.6
82.06567	1.2
84.04488	1.3
84.06348	0.6
84.08112	0.6
85.02894	1.2
86.06057	0.9
86.09649	0.5
87.04459	4.6
88.07608	0.8
95.04981	0.8
96.04478	0.7
96.08123	6.3
97.02882	1.0
97.06522	5.0
98.06039	0.7
98.97561	1.2
100.03984	0.8
100.07571	1.4
102.68263	0.5
103.05469	0.6
104.07054	0.6
104.76815	0.5
107.04887	0.7
112.07583	0.5
114.09174	1.3
116.98598	1.4
119.01857	0.6
124.07580	16.9
125.05982	7.8
126.05508	0.7
134.99622	0.9
142.08620	100.0
143.07072	0.6
146.99597	0.5
158.99704	0.8
160.09674	20.8
163.03845	0.6
163.17508	0.5
165.04057	0.5
166.08641	0.7
168.06619	1.5
186.07625	1.8
194.04364	0.8
196.25031	0.6
208.99309	0.5
210.11235	10.1
225.55052	0.5
228.12247	4.1
246.13373	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.9
57.07065	3.8
67.05504	9.0
69.07072	15.8
71.60368	4.7
79.05511	3.4
81.07067	20.5
83.08619	5.0
91.05463	5.6
93.07016	11.0
95.08606	26.1
97.10181	3.6
105.07003	12.2
107.08606	19.4
109.10168	18.9
119.08599	16.5
121.10166	14.6
123.11699	10.3
133.10115	12.8
135.11664	12.3
137.13277	7.5
147.11676	7.8
149.13261	11.9
161.13272	14.0
163.14835	19.1
175.14832	15.5
189.16379	17.5
203.17944	8.6
215.63388	2.1
219.12231	1.8
245.22662	100.0
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	Ile Ile
Peak:m/z	Relative Intensity
54.03831	0.2
55.01856	0.4
55.05501	1.0
55.05748	0.2
56.96562	0.5
57.03440	0.3
60.01979	0.2
61.98234	0.2
67.05504	0.5
69.03421	0.5
69.07061	0.8
71.60289	0.3
78.02538	0.2
79.05491	0.4
80.53015	0.3
81.07063	0.5
83.04972	1.1
83.08636	0.3
85.02914	1.0
86.09702	100.0
87.04451	0.3
87.10040	0.3
91.05474	0.3
93.07047	0.9
94.24286	0.2
95.04937	0.4
95.08598	0.5
97.02861	0.6
97.06497	0.4
98.97588	0.8
99.00808	0.5
103.13573	0.2
105.07001	0.4
107.08600	0.4
109.06528	0.3
115.88498	0.3
116.98628	0.4
119.08591	0.4
120.37126	0.3
121.06532	0.3
121.10136	0.5
123.04421	0.6
127.03891	0.3
129.06967	0.4
131.08604	0.3
132.10197	3.7
133.10181	0.3
149.05927	0.2
174.50125	0.2
175.07454	0.2
185.09589	0.3
199.11029	0.2
199.18044	1.7
204.04640	0.2
217.83669	0.2
227.07077	0.3
245.04509	0.3
245.08128	0.7
245.12971	0.5
245.15108	0.3
245.15778	0.4
245.18596	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	245.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79107	0.3
56.05021	0.6
56.96330	0.3
56.96563	3.2
57.03409	0.3
60.39429	0.3
67.05489	0.3
68.05029	1.8
69.03402	1.2
69.81457	0.8
69.81870	1.1
79.05495	0.4
81.07042	1.1
82.06570	0.5
83.01366	0.3
83.06106	0.4
84.04454	0.3
84.08145	0.4
85.02906	0.6
85.06540	0.4
85.07639	0.9
86.06064	3.8
86.09668	0.3
87.04465	0.5
96.08119	2.3
97.06509	0.9
97.07644	0.4
98.06039	1.2
98.21523	0.3
98.97600	2.0
99.04373	0.3
103.08670	0.5
111.05494	0.3
112.05080	0.5
112.07598	0.3
113.03465	0.6
113.05413	0.6
114.05563	0.4
116.07087	0.5
116.98589	1.3
119.01958	0.4
124.07584	2.2
125.05982	0.6
125.07109	1.3
127.08663	3.1
128.98593	0.4
130.04985	0.7
134.99622	0.8
137.10727	1.4
139.12297	3.3
142.08606	2.7
142.10989	0.5
142.96516	0.5
149.01096	0.3
153.10208	4.6
160.97574	0.4
161.02936	0.4
165.10207	2.5
165.13869	1.5
171.11278	38.2
178.04881	0.5
183.11295	3.8
183.14865	1.5
188.97046	1.6
191.11795	1.1
195.11276	0.6
201.12352	0.5
202.98584	0.5
206.98090	1.1
209.12862	3.2
220.99667	0.4
227.13889	1.9
230.98074	0.3
245.05037	0.9
245.14954	100.0
246.15265	1.2
265.05322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1497
Annotation	Leucyl-4-hydroxyproline
Peak:m/z	Relative Intensity
56.05027	1.2
56.96554	0.9
57.03421	0.6
58.06591	0.3
58.99833	0.2
63.71285	0.2
67.05495	0.3
68.05018	2.1
69.03423	1.0
69.07072	0.2
70.06573	0.3
70.56761	0.8
71.04969	0.5
72.21425	0.2
72.67001	0.2
79.05476	0.5
81.07029	0.8
82.06547	0.4
83.06092	3.1
84.04496	0.5
84.05892	0.4
84.06425	1.9
84.08128	0.7
85.02874	0.4
85.07652	0.9
86.06059	4.1
87.04453	0.5
90.36311	0.2
96.04492	0.4
96.08121	2.3
97.02888	0.3
97.06507	0.9
97.07610	0.4
98.06057	1.7
98.97559	0.5
99.04385	0.2
99.08067	0.3
101.00871	0.6
101.07081	0.2
105.54131	0.2
109.07629	0.3
110.06033	0.3
111.05563	0.2
112.07581	0.5
113.03492	0.2
114.05517	0.5
116.07059	0.3
116.98601	0.4
119.01914	2.6
124.07603	2.5
124.09914	0.3
125.06033	0.5
125.07111	1.0
127.08666	4.0
129.06554	0.5
130.06931	0.3
131.01906	0.4
137.02916	0.5
137.10692	1.0
139.12302	2.9
141.10194	0.5
142.08632	3.2
142.11029	0.8
143.01907	0.3
145.03397	0.4
153.08994	0.3
153.10211	4.6
155.01881	0.3
155.08064	0.3
155.11794	0.3
157.03450	0.8
159.05067	0.3
160.09790	0.4
161.02936	0.8
163.12376	0.4
165.10211	2.3
165.13855	1.2
171.11278	35.3
172.11571	0.4
173.02896	0.6
178.04898	0.5
178.55118	0.5
179.01787	0.3
181.09689	0.3
183.11292	3.5
183.14865	1.8
185.02924	0.9
191.11732	1.0
195.11369	0.7
201.12378	0.6
202.98721	0.3
203.04013	1.7
206.98337	0.3
209.12862	3.3
221.05054	0.6
227.10255	0.3
227.12149	0.6
227.14044	1.6
245.05119	2.3
245.14970	100.0
246.15317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Emmotin H
Peak:m/z	Relative Intensity
53.41352	2.2
55.01857	4.9
55.05508	15.2
56.96548	9.2
57.03431	5.6
57.07057	4.1
65.03933	1.9
67.05486	8.2
69.03411	6.4
69.07064	13.2
69.58765	4.2
69.59170	13.2
71.04974	4.2
72.08157	4.4
79.05462	9.4
81.07073	13.1
83.04952	8.9
85.06510	3.1
87.04466	3.0
91.05465	10.5
93.07024	6.6
94.97309	2.0
95.04949	7.8
95.08575	5.5
97.06518	15.4
97.10190	4.7
98.97580	5.2
103.05450	5.4
105.07031	18.9
107.04938	10.9
107.08583	7.2
109.06499	3.1
109.10100	2.3
115.03886	4.6
115.05448	12.5
116.98599	3.6
117.06992	6.3
119.04919	2.3
119.08546	6.8
121.10132	3.0
123.04431	26.8
125.09621	3.3
128.06200	8.9
129.07025	19.3
131.04884	10.0
131.08539	5.8
133.06459	5.2
133.10101	4.0
134.99634	3.1
135.08031	6.3
141.06952	6.2
142.03178	2.8
142.07784	3.1
143.04890	6.6
143.08559	13.2
144.05656	6.9
145.06471	7.9
145.10100	3.5
147.04387	7.5
147.08052	6.5
147.11641	2.7
149.06004	14.0
149.07043	3.2
152.06216	5.5
153.06937	8.7
155.04919	3.1
155.08510	8.2
156.09335	4.5
157.06470	16.8
157.10124	5.7
159.04443	2.5
159.08046	3.3
159.11684	3.1
160.05153	10.2
161.05981	61.2
161.09615	4.1
161.13150	2.9
162.06764	12.1
163.07523	8.1
165.07018	10.7
166.07768	24.7
169.06406	3.9
170.07195	4.5
171.08064	14.8
171.11581	7.6
173.05963	27.7
174.06743	2.8
175.03931	5.4
175.06216	3.6
175.07559	42.4
176.08263	3.5
177.05389	3.8
181.06458	7.4
181.10089	35.2
183.08015	5.4
184.08769	5.4
185.05939	8.4
185.09583	6.3
185.13266	3.2
186.06778	2.8
187.07558	21.8
188.08287	5.9
189.05487	15.6
189.09113	16.2
189.10812	2.4
190.06206	3.1
191.06984	4.3
191.08617	2.7
194.07256	7.3
197.05928	9.5
198.06772	13.4
199.07500	9.8
199.11194	18.3
199.14845	3.7
201.09099	22.0
203.07034	9.3
203.10645	6.8
204.07779	9.5
209.07751	3.0
209.09631	58.2
212.08374	11.1
215.06834	2.5
215.10594	4.7
216.07793	7.5
217.08530	4.0
217.12170	28.1
227.10664	55.3
227.14182	4.2
245.04469	7.0
245.11697	100.0
245.15350	7.3
245.18996	8.4
245.22745	5.7
259.82910	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.85092	1.5
55.01860	3.9
55.05490	4.0
56.96537	5.1
57.03418	5.8
57.64352	1.5
67.05486	4.0
69.03416	3.5
69.07053	4.3
70.79203	4.2
79.05470	6.5
81.07051	3.1
83.04961	2.8
87.04473	2.4
91.05475	18.5
93.07024	6.2
95.04951	3.9
95.08581	2.7
97.02861	2.1
97.06507	7.1
98.97552	1.6
103.05458	4.3
105.07025	17.5
107.04946	2.2
107.08572	5.9
109.05154	1.9
109.06522	2.9
109.10217	2.2
115.03887	2.0
115.05449	7.2
116.98592	2.8
117.06998	5.7
119.04900	3.9
119.08566	19.4
121.06506	2.2
121.10142	1.9
123.04424	8.9
128.06210	7.9
129.07021	16.2
130.07716	2.2
131.04890	7.2
131.08554	11.2
132.05679	6.0
133.06483	23.1
133.10074	6.1
135.08028	5.6
141.06958	5.4
142.03212	1.8
142.07732	5.7
143.04903	2.2
143.08554	14.1
144.05675	2.3
145.06441	10.0
145.10141	4.9
146.07207	2.7
147.04411	14.0
147.08049	24.9
147.11682	3.7
148.05177	6.1
148.08780	8.0
149.05939	4.1
149.09593	1.9
152.06200	2.3
153.06995	4.9
155.05898	1.8
155.08510	2.4
156.09354	8.4
157.06456	6.9
157.10112	7.0
159.04347	4.1
159.08063	14.2
160.05182	5.1
160.08765	6.4
161.05983	24.3
161.09598	19.3
161.13229	2.4
164.83412	1.6
165.06970	2.6
166.07704	4.7
169.06450	4.1
170.07237	5.7
171.08031	7.4
171.11664	11.8
173.06004	4.3
173.09601	3.7
175.03998	9.6
175.07529	46.1
175.11143	6.7
176.08281	18.2
177.09091	22.6
181.10071	8.6
185.05875	2.0
186.06706	2.5
187.07498	8.0
188.08301	7.0
189.05450	12.2
189.09114	8.2
189.12738	20.8
194.07361	2.0
198.06783	7.0
199.07454	4.0
199.11165	39.5
201.09067	16.0
203.06995	21.9
203.10710	4.4
204.07788	30.2
209.09654	8.7
212.08295	2.9
216.07806	5.3
217.05190	1.8
217.08569	1.9
217.12204	39.8
227.10631	25.0
227.18040	2.9
243.78760	2.0
245.04413	5.8
245.07994	3.9
245.11700	100.0
245.15454	5.3
245.18843	4.0
245.22919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
55.05486	2.2
56.05038	1.4
56.96291	1.5
56.96556	20.0
57.03416	3.3
58.06590	1.2
58.99850	1.2
60.32095	0.7
60.95837	1.0
61.02911	2.2
67.05480	0.9
68.04990	1.9
69.03413	4.5
69.07050	1.0
69.90543	5.3
70.06577	1.7
71.01353	1.0
73.02895	2.9
74.06063	1.2
74.97604	1.9
79.05473	1.6
81.03397	1.0
81.07036	2.4
83.04972	1.7
83.06079	1.1
84.04488	2.5
84.08134	6.2
84.84380	0.8
84.96011	1.9
85.02425	0.9
85.02896	9.4
85.06525	1.0
86.06062	6.2
86.09689	1.6
87.04454	2.4
91.05468	4.0
94.03062	0.9
96.04443	1.0
96.08109	2.3
97.02895	5.2
97.07637	0.9
98.06036	1.7
98.97569	9.7
99.04430	1.1
101.00883	4.5
106.71404	0.9
109.02847	1.7
110.97542	1.6
111.04404	0.9
112.07554	1.2
113.03497	4.4
115.02393	1.8
115.03896	1.0
116.07047	1.0
116.10732	1.7
116.98621	10.7
117.06942	0.9
119.01907	46.1
119.04913	2.6
124.07558	3.0
125.05904	1.4
127.03909	2.3
127.08647	3.6
128.06281	1.1
128.98582	3.2
130.04951	1.3
130.08615	2.1
131.00105	1.2
131.01894	1.6
132.06549	1.3
133.03453	1.4
134.99632	7.4
135.05035	1.1
137.02940	25.8
137.05954	7.5
137.10683	1.3
139.02303	0.8
139.11276	0.8
139.12267	1.7
141.03935	1.1
142.03519	1.4
142.08603	2.9
143.00166	2.2
143.01878	3.1
145.03383	1.9
146.99625	3.3
147.04349	2.1
149.01201	2.1
150.99187	1.0
153.00710	1.5
153.05440	1.2
153.10164	4.2
155.08139	1.8
157.01579	1.2
157.03465	12.4
158.04216	1.1
158.99619	1.5
159.03278	1.6
159.05020	8.9
160.97734	1.0
161.01198	5.4
161.02950	17.0
161.04897	1.4
162.99080	1.8
163.04555	1.0
164.04114	3.1
165.10179	1.3
171.11276	32.4
173.02998	1.9
173.04683	2.5
175.02785	3.0
175.04495	7.1
177.00768	4.6
177.06055	8.2
179.04012	10.6
179.05585	1.5
180.99992	1.1
183.04967	3.0
183.11307	2.4
183.14912	2.6
184.55444	1.0
185.01202	2.8
185.02908	19.3
185.12788	1.1
188.97017	1.1
189.00594	1.3
193.00133	2.8
193.03978	1.3
193.08557	1.1
199.04419	1.8
199.11153	1.4
200.05229	1.2
201.04480	1.0
201.06078	11.4
201.12363	0.9
202.05882	0.9
203.02235	4.8
203.03972	51.2
206.98172	1.3
209.12802	2.9
217.05486	2.0
219.01709	2.1
219.07147	8.3
221.03314	3.4
221.05243	2.9
226.05547	2.4
227.02132	1.7
227.04083	2.8
227.13980	1.6
236.06271	5.0
237.02815	2.1
245.04895	34.2
245.14955	100.0
254.07196	2.3
263.03992	1.4
263.06284	1.9
268.06558	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52858	1.3
55.01869	9.3
55.05507	10.6
57.03426	3.3
57.07080	2.9
65.03935	1.4
67.05498	28.9
69.03408	2.2
69.07057	13.8
70.23825	5.0
71.04984	2.6
71.08616	2.4
73.06532	2.1
73.39445	1.5
79.05485	15.4
81.07051	92.2
83.04985	7.1
83.08627	9.0
85.06511	6.4
90.24091	1.3
91.05470	26.0
91.13789	1.3
93.07050	12.9
95.04952	4.5
95.08606	19.3
95.90668	1.4
96.69167	1.4
97.06516	8.5
99.08057	3.7
105.07024	42.0
107.08587	14.7
109.06500	6.5
109.10133	2.1
111.57053	1.6
113.06014	1.4
119.08582	29.3
121.10138	22.4
123.08044	4.2
123.11703	28.3
127.07502	2.2
129.06981	2.3
131.08554	1.6
133.10098	5.3
137.13226	4.7
138.16058	1.5
141.09071	2.4
147.11679	100.0
149.09663	1.7
157.10135	4.9
165.12746	75.2
175.11168	7.7
193.12262	14.9
197.15338	15.3
229.14304	10.9
242.28542	1.6
243.10176	1.7
243.13611	1.7
243.15747	3.2
243.21188	1.5
243.28758	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	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03919	2.1
55.01857	6.2
55.05510	12.7
56.57470	2.0
56.96558	1.9
57.03424	4.9
57.07055	3.3
65.50602	1.9
67.05499	30.4
69.03423	2.1
69.07062	15.1
69.98336	7.5
69.98750	3.3
70.76149	2.1
71.04977	4.3
79.05481	17.0
81.07056	70.6
83.04974	5.3
83.08606	5.8
85.06518	6.7
88.07610	5.3
91.05474	32.6
93.07028	14.7
95.04968	6.2
95.08608	14.2
97.06538	10.2
99.08075	5.1
102.84263	2.2
105.07026	37.8
107.08601	15.0
107.78145	2.2
109.06493	8.8
109.10130	2.4
117.74814	2.1
119.08578	29.6
121.10131	17.8
122.97164	2.7
123.08085	6.5
123.11687	17.5
129.06993	7.0
131.08534	7.8
131.59111	2.1
133.10139	14.9
137.13275	4.8
141.09105	3.2
145.10135	2.9
147.11674	100.0
149.09653	3.2
157.10124	13.8
165.12752	57.0
175.11163	19.4
177.65408	2.2
193.12222	41.8
197.15471	11.8
207.13847	2.8
211.13199	2.6
225.14885	7.2
229.14243	4.8
243.10048	7.0
243.13591	3.4
243.21217	4.1
243.25128	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
56.05021	0.7
56.96563	2.1
57.03412	0.5
57.07045	0.3
59.04982	0.5
67.05492	0.4
68.05019	0.4
69.03424	5.3
70.06584	2.4
70.14072	1.1
71.51068	0.3
72.08127	0.8
72.20744	0.3
72.93777	0.8
73.02885	0.5
73.06528	0.5
80.81746	0.3
81.03392	0.5
81.07045	0.5
82.06571	2.3
83.04990	0.5
83.06109	0.4
84.04470	0.5
84.08132	1.0
85.02919	1.3
86.09702	0.5
87.04470	0.5
94.06546	0.5
95.04940	0.3
97.02874	1.2
98.06062	2.2
98.20831	0.4
98.97581	1.9
99.04443	0.3
101.05991	0.8
104.96378	0.4
106.02892	0.3
107.04974	0.3
109.02863	0.3
110.06028	0.7
110.08423	0.3
111.09206	2.5
112.07594	0.7
112.99098	0.4
113.96393	0.4
114.09198	0.4
115.08677	3.3
116.07008	0.3
116.98602	1.9
119.01830	0.4
119.08584	0.4
125.10715	0.4
126.09164	2.2
128.07062	0.9
128.98636	0.3
134.97359	0.4
134.99661	0.8
136.07541	0.8
137.10716	3.2
138.09177	0.3
139.81129	0.3
140.07193	0.3
142.08641	2.1
145.06503	0.5
146.99658	0.5
147.03189	0.3
149.01237	0.3
152.10616	0.4
152.13124	0.4
154.08623	7.1
155.04671	2.5
156.08926	0.4
157.09706	2.9
158.99661	0.8
160.95305	1.2
161.01242	0.4
162.99236	0.4
164.05176	0.9
166.08644	0.9
166.55406	0.4
169.04549	0.3
170.07881	0.3
177.00713	1.5
177.05783	1.0
177.56126	0.9
178.04893	0.7
178.06290	0.4
178.55243	0.3
178.96384	0.7
179.11784	2.9
180.10112	1.3
181.13391	0.5
182.03357	0.5
183.07698	0.5
183.11275	1.2
197.05939	0.9
197.09122	0.5
197.12849	12.7
212.09195	2.9
219.01781	0.6
220.97479	0.8
223.01302	0.3
223.05457	0.6
225.12326	29.9
227.20358	0.4
232.05937	0.4
243.08310	4.6
243.13393	100.0
243.58246	0.7
244.13603	0.7
253.28230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
52.44158	1.0
55.05492	2.4
56.96555	1.6
57.07059	1.0
58.18432	1.1
67.05496	1.6
69.03428	1.1
69.07056	1.6
69.33678	11.5
72.08153	1.8
73.73962	1.1
81.07030	2.3
83.08629	1.0
83.45380	1.0
91.05445	2.0
93.07014	1.7
95.08611	2.8
105.06998	2.6
107.08610	1.7
108.13298	1.1
109.10127	1.6
117.06951	1.3
119.08559	2.0
121.10188	1.2
123.11699	1.2
128.06204	1.3
129.06937	2.2
131.04900	2.5
131.08546	1.1
133.10123	1.1
141.06859	0.9
142.15965	2.1
144.05658	1.1
145.06470	2.8
145.10117	2.6
145.73698	1.0
146.07283	1.4
147.04376	3.5
147.11652	1.5
157.06429	2.5
159.08084	2.4
159.11678	1.5
169.06516	1.5
169.10155	1.2
169.49840	0.9
173.05945	3.1
174.06770	6.8
183.08122	1.8
183.11687	1.2
187.07544	1.3
187.11354	1.1
197.05914	1.2
199.07591	1.6
200.08304	17.1
202.06200	9.3
215.10658	70.9
228.04089	1.1
243.06288	4.5
243.10150	100.0
243.17349	2.8
243.21043	3.0
243.28773	9.3
244.10452	2.2
264.75909	1.0
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	Pirbuterol
Peak:m/z	Relative Intensity
50.98201	0.2
51.12901	0.1
56.96556	1.1
57.03429	0.4
58.06595	12.6
61.02904	0.2
67.05479	0.2
69.03424	0.8
69.07056	0.2
69.92867	0.5
69.93282	0.5
70.06583	2.2
71.04971	0.3
72.08127	0.3
73.02914	0.4
79.05496	0.2
81.03397	0.6
81.07063	0.2
83.04966	0.2
84.08136	7.5
85.02888	0.5
97.02870	0.7
98.06025	0.3
98.09693	1.1
98.97568	1.1
99.04441	0.2
100.11243	0.4
110.05991	0.2
114.05577	0.4
116.07104	0.3
116.98614	1.1
126.05503	0.3
126.09093	0.4
128.10695	3.0
128.98640	0.2
134.06012	0.4
134.99641	0.6
136.07549	0.2
136.15164	0.2
137.05980	0.2
144.10155	1.0
152.04651	0.3
153.00604	0.2
155.04697	0.2
158.01189	0.2
158.99594	0.4
163.08655	0.2
164.07048	3.9
164.74806	0.2
167.06964	0.2
168.10176	0.7
169.04309	0.2
175.02765	0.3
177.00685	0.6
181.04910	0.2
181.09753	0.4
193.03813	0.4
195.01643	0.2
196.09698	3.7
202.01131	0.2
213.15910	0.4
217.05457	0.2
217.55640	0.4
218.04362	0.2
219.01772	0.3
223.10844	0.3
233.06584	0.2
237.02818	0.5
241.15451	100.0
241.56741	0.2
242.15755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03953	39.5
53.41805	7.4
55.05513	40.8
56.96558	18.8
67.05499	76.5
69.03421	12.5
69.07072	45.0
69.86892	29.6
69.87308	15.3
71.04993	18.3
72.08138	12.5
79.05501	32.4
79.95290	8.3
81.03415	57.0
81.07061	100.0
83.04981	13.9
83.08628	17.9
85.06544	31.9
91.05472	30.8
93.03748	43.6
93.07041	61.3
95.04958	25.3
95.08608	88.5
97.02892	8.5
97.06523	23.2
97.10166	12.4
98.97565	17.5
99.08091	10.0
105.07009	24.0
107.04952	34.1
107.08594	32.2
108.01203	7.3
109.06541	12.9
109.10152	31.4
111.04442	8.4
111.08083	17.0
111.11660	8.1
111.32918	7.4
112.40956	7.0
113.05951	8.6
115.05447	7.5
116.98591	18.0
117.07015	9.9
119.08586	21.3
121.00436	7.8
121.06544	17.7
121.10147	30.8
123.08080	29.0
123.11687	11.9
128.06209	9.4
129.07124	9.3
131.08559	22.7
133.10136	17.5
134.99649	44.4
135.08073	16.9
135.11671	44.3
137.09674	9.9
143.08557	14.3
145.06447	10.3
145.10133	26.3
147.11633	11.4
149.13235	45.8
153.00700	12.7
157.10068	12.5
158.01245	10.2
159.11685	31.9
163.14781	14.9
167.14345	15.9
169.10239	10.9
171.11583	13.3
177.00677	18.2
177.12756	34.5
181.12239	9.6
185.13165	13.8
187.11183	27.4
191.14337	11.6
195.13802	18.4
199.14743	10.1
205.12326	11.4
209.15347	21.2
223.13235	17.1
223.16917	13.4
229.33957	8.1
241.04823	17.8
241.08699	25.1
241.11992	18.5
241.13991	47.8
241.19583	56.5
258.74887	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	241.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18226	0.6
53.03936	3.2
55.01875	3.8
55.05505	0.9
55.80143	0.5
57.03433	6.8
61.02925	0.7
65.00655	0.5
65.03951	1.2
67.05504	2.2
69.03424	100.0
69.07058	1.1
70.03731	0.6
71.01347	1.9
71.04984	4.0
71.58508	1.4
73.02913	10.3
76.22775	0.6
79.05485	2.3
81.03413	19.1
81.07043	1.8
83.01353	1.1
83.04979	3.0
85.02901	13.4
85.06519	0.9
87.04470	3.7
89.41936	0.7
91.05482	3.3
93.07039	2.0
95.01324	2.2
95.04960	3.5
95.08622	1.7
97.02884	86.2
99.04439	7.0
101.02368	1.8
103.05429	0.9
105.07033	0.8
107.04961	1.9
107.08579	1.4
109.02869	9.4
109.06514	0.9
109.10122	1.1
111.04422	3.4
111.89725	0.6
113.02363	1.5
115.03915	3.7
119.04920	1.0
119.08607	1.0
121.02817	0.7
121.06488	1.6
121.10133	1.7
123.04414	2.7
125.02309	1.3
127.03905	12.7
131.04932	1.0
135.04362	1.8
137.05968	0.9
137.09554	1.0
139.03906	1.3
145.04964	1.6
147.04401	1.5
147.92139	0.5
149.00549	0.6
149.06001	1.4
149.13232	0.8
151.03857	1.4
163.03929	0.7
165.05446	0.8
165.09077	2.3
167.06969	0.9
173.04424	1.2
177.05481	1.5
181.04904	0.9
181.08684	0.6
193.04875	2.2
195.06477	1.4
211.05949	2.8
213.09039	0.7
223.05905	2.0
223.13107	1.1
241.04759	1.2
241.06941	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	241.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01870	1.1
55.05516	1.8
56.96285	0.7
56.96563	11.4
57.03433	3.9
57.07066	0.3
58.06596	12.9
59.04997	0.7
61.02923	3.9
67.05487	0.5
67.68700	0.4
69.03429	6.8
70.06590	2.4
70.98116	0.6
71.04989	2.0
71.27238	0.3
71.59273	0.4
72.04509	0.8
73.02915	6.5
75.04451	0.5
81.03419	2.5
82.06558	0.4
83.04965	1.2
84.01542	0.5
84.08134	7.9
84.08603	0.6
84.96023	1.4
85.02897	8.2
85.06487	0.4
86.03693	0.5
87.04469	1.7
88.99149	0.5
91.03952	0.4
95.01308	0.7
96.01501	0.8
97.02888	8.0
97.96793	0.7
98.06034	0.6
98.09699	1.4
98.97576	9.2
99.04447	2.9
100.11268	0.5
100.99151	0.4
101.00845	0.7
103.02339	0.7
104.01374	0.4
105.02073	0.6
106.01025	0.6
106.02847	0.4
108.08109	0.7
109.02900	2.0
110.01259	1.0
110.03060	0.4
110.07195	0.4
110.97568	1.8
111.02069	0.5
111.04420	0.4
112.99125	3.3
113.02422	0.7
114.05553	0.6
115.02373	0.6
115.03916	0.9
115.97807	0.5
116.03111	0.5
116.07114	0.6
116.98622	5.5
117.01982	0.9
118.01016	0.6
118.02787	0.4
119.01849	2.8
121.01660	0.4
122.01274	0.4
124.02757	0.5
124.07635	0.6
125.01767	0.6
126.02587	0.4
126.05447	0.5
127.03915	5.6
128.02341	1.3
128.10715	3.2
128.98615	3.0
131.00162	5.0
131.01863	1.0
132.03433	0.4
133.01634	1.2
133.03429	1.3
134.06007	5.1
134.99684	2.3
135.03084	0.6
135.06319	0.4
136.06215	1.0
136.07556	5.0
137.02890	0.4
137.06548	0.6
138.02512	0.8
139.03290	0.6
140.00186	0.5
140.02312	0.6
140.07086	0.6
143.00153	1.2
143.01877	0.7
144.10185	1.0
145.01659	0.9
145.03432	1.0
145.04964	1.3
146.99606	2.7
147.03085	3.6
147.04897	0.6
147.06775	0.6
148.03833	5.2
149.01201	3.8
149.02376	0.3
149.02931	0.7
151.02768	0.7
152.02271	0.3
152.07114	2.0
154.03824	0.9
154.08603	0.5
156.03592	5.1
156.53796	0.6
157.01643	0.4
157.04453	3.0
158.01183	0.4
158.53915	1.1
158.99702	1.8
159.03091	0.6
159.04964	0.8
160.03941	1.0
160.06258	0.7
161.01230	2.0
161.02905	1.0
161.05591	0.7
163.02823	0.7
163.04393	1.9
163.08658	2.3
164.07059	100.0
165.07414	0.9
166.53627	0.4
167.54349	0.5
168.03716	0.5
168.10243	1.0
169.04376	2.5
170.06186	0.7
170.99661	1.1
173.01262	0.8
173.02898	1.3
174.01807	0.4
175.00522	0.4
175.02785	0.7
175.04420	0.9
177.00726	2.5
177.04179	1.4
178.04936	2.7
178.98358	0.4
180.03705	0.4
181.02521	0.5
181.09680	4.9
182.03316	0.7
182.08147	1.8
183.04074	0.5
184.05928	0.8
185.02837	0.4
186.04654	0.4
189.00728	0.9
189.02429	0.4
189.04131	0.7
189.55653	0.6
190.03307	0.4
190.05659	0.7
190.98524	0.5
191.02283	1.4
191.03864	0.7
192.04620	0.5
193.03787	0.7
195.11327	2.1
196.09662	4.3
198.04639	1.4
200.04317	0.5
201.00696	1.3
201.05627	0.4
203.02179	0.5
203.03937	0.7
204.02892	0.8
205.00301	0.4
206.08122	0.4
211.05392	0.4
219.01768	3.4
219.05040	0.6
220.04089	0.5
220.06079	0.6
221.06795	0.6
223.10751	8.4
224.09117	0.5
225.03114	0.5
229.04678	0.8
230.07222	0.4
232.04103	0.5
233.05003	0.7
237.02809	4.6
238.05229	0.4
241.04521	0.6
241.06631	1.2
241.11836	10.5
241.15456	81.3
242.05426	1.3
242.15826	0.9
246.27365	0.4
251.04431	1.7
255.03851	0.5
260.04700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98664	0.6
56.96560	19.7
57.23238	0.4
69.74883	3.1
71.16972	0.4
71.95271	2.7
95.08607	0.5
98.97574	81.5
99.97898	0.6
103.54843	0.5
116.98608	100.0
117.98947	0.6
119.01907	3.1
120.02025	0.5
134.01222	0.5
134.99643	84.2
136.00000	0.8
136.04564	0.7
137.02928	1.6
140.00172	3.2
142.03476	1.1
143.03574	0.7
153.00702	17.4
158.01231	7.9
161.03079	0.7
173.06406	0.6
174.05971	0.5
174.97636	1.8
176.02315	1.8
176.04393	0.4
177.00790	5.5
179.00789	0.7
186.48239	1.0
192.98715	0.7
195.01767	2.5
195.48909	0.7
200.02371	0.7
203.96971	4.4
204.47147	0.7
212.97543	1.8
213.06105	1.2
214.95508	1.3
215.47876	1.7
216.98518	0.7
217.09282	0.6
218.06833	1.0
219.01961	6.5
220.02167	0.8
224.48181	0.5
226.46231	0.6
228.65752	0.5
232.96530	1.1
234.99841	1.9
235.99930	0.8
236.07674	1.0
237.96954	0.7
240.98547	3.4
241.09279	0.5
242.03601	0.7
253.01111	0.7
256.96591	1.0
258.96445	4.5
258.99725	29.7
260.00040	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.02025	1.3
53.03950	2.4
53.25190	1.7
55.01862	3.2
55.05506	38.8
56.96542	2.5
57.03424	4.0
57.07072	22.4
59.04999	24.9
59.22581	1.3
64.09333	1.2
67.05501	28.1
69.03409	5.8
69.07067	59.0
71.04988	13.8
71.08623	5.3
71.22685	3.6
73.02911	2.0
73.06530	2.1
73.79549	1.3
79.05490	16.1
81.07052	95.1
81.61929	1.5
83.04966	6.4
83.08617	27.6
85.02886	3.2
85.06555	10.1
85.10184	2.1
87.04467	3.1
89.06028	5.8
91.05468	13.6
93.07034	36.4
95.04974	7.8
95.08599	100.0
97.02856	1.8
97.06522	13.0
97.10169	22.9
98.97588	5.7
99.04455	2.1
99.08088	6.3
105.03381	2.4
105.07025	23.7
107.04971	2.1
107.07863	3.1
107.08590	50.2
109.06499	7.9
109.10152	55.5
111.08073	13.6
111.11708	18.6
113.09632	3.8
115.05360	1.6
115.07588	3.9
116.98600	5.7
117.07013	1.9
119.07785	2.6
119.08581	35.4
121.06486	2.6
121.10139	34.5
123.08068	7.7
123.11707	38.6
125.09602	13.0
127.07504	1.6
127.11185	3.8
128.02350	1.6
129.09109	3.0
131.08525	2.7
133.06497	2.4
133.08591	2.4
133.10126	39.6
134.99638	5.5
135.08060	3.8
135.11681	46.4
137.05998	3.3
137.09642	9.0
137.13246	72.1
139.11176	25.6
141.09065	1.8
141.32205	1.6
143.08479	1.6
143.10666	9.4
145.10118	3.6
147.11688	31.4
149.09615	1.7
149.13266	15.2
151.07600	2.9
151.11168	13.6
151.14787	3.1
153.12782	3.0
155.08482	1.8
157.12195	7.6
158.99655	3.5
159.11670	3.3
161.09656	2.9
161.13263	18.3
163.07574	1.6
163.11092	1.9
163.14824	32.6
165.06993	1.9
165.09146	3.4
165.12747	6.7
167.07089	1.9
169.10114	1.6
175.11188	1.8
175.14870	8.5
177.00732	6.3
177.16345	9.7
179.06969	1.6
179.10631	2.0
179.14388	2.6
179.17917	1.9
183.11745	2.8
193.12276	2.3
193.15884	2.9
193.19453	9.4
202.30824	1.4
203.14325	3.5
203.17950	63.5
209.08008	1.9
211.07472	2.1
217.15785	2.3
221.11665	3.2
221.15681	10.0
221.18994	72.1
239.06917	5.2
239.08929	16.4
239.10826	2.3
239.16341	5.1
239.18182	2.7
239.20068	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	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00308	1.3
53.03951	0.5
55.05511	16.6
57.07075	100.0
57.35817	0.3
58.07407	0.6
60.45086	0.3
65.03950	1.2
67.05504	38.8
69.07066	19.8
69.07451	0.9
70.03792	1.6
71.04990	1.0
71.08630	65.3
79.05489	3.0
81.07056	42.2
82.07383	0.4
83.08619	22.3
85.02929	0.3
85.06547	2.3
85.10181	31.9
89.06012	0.6
93.07059	2.4
95.08605	60.5
97.10165	10.0
99.08083	1.6
99.11733	0.9
108.83202	0.3
109.10153	21.7
111.11740	1.8
122.95560	0.4
123.11704	7.7
125.13271	0.4
127.62150	0.3
133.52550	0.4
135.00941	0.4
137.13252	2.0
140.08900	0.3
151.14769	0.7
165.16373	0.7
221.22621	0.5
223.54770	0.4
239.08800	0.9
239.23763	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03921	2.6
55.05512	36.0
57.03439	5.8
57.07073	17.1
59.04998	25.0
65.03916	2.8
65.33897	2.1
67.05502	25.4
69.03431	4.2
69.07066	50.0
69.51427	19.9
71.04985	15.8
71.08613	4.4
79.05481	17.1
79.90276	2.4
81.07053	94.9
83.04985	3.2
83.08613	25.7
85.02906	3.8
85.06544	11.5
89.06027	4.2
91.05447	9.6
93.07030	30.9
95.04942	3.6
95.08599	100.0
97.06524	15.3
97.10155	14.9
98.20776	4.0
98.97575	3.2
99.04448	3.1
99.08073	6.3
105.07035	20.8
107.08585	48.0
109.06493	7.5
109.09448	4.3
109.10144	52.2
111.04427	2.5
111.08097	12.8
111.11718	17.7
113.09679	3.9
115.07514	4.7
119.04882	3.0
119.08576	31.9
121.06437	3.6
121.10130	40.8
123.08080	5.9
123.11704	39.9
125.09616	10.3
127.11221	3.3
131.03038	2.4
131.08589	2.9
133.08638	2.4
133.10123	33.6
135.11679	40.6
137.09593	6.1
137.13251	72.9
139.07510	3.4
139.11174	22.4
141.06926	2.9
143.10638	9.7
145.10094	2.8
147.08098	3.1
147.11687	32.1
149.13223	18.6
151.07513	2.6
151.11163	10.3
151.14827	3.0
153.12695	2.7
157.12221	6.0
161.09608	3.7
161.13240	17.0
163.14816	38.0
165.12711	9.1
175.14787	5.1
177.16341	11.4
179.10585	2.5
184.41252	2.5
193.15912	2.9
193.19479	8.0
197.06075	2.3
203.17943	64.0
218.65318	2.0
219.07376	2.2
221.15387	6.4
221.19000	70.1
239.06917	6.7
239.08917	12.9
239.12573	3.2
239.16331	4.3
239.20052	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.72572	1.7
53.03946	2.4
55.01859	2.7
55.05511	14.0
56.96549	2.0
57.03437	2.5
57.07069	5.4
59.04993	11.1
67.05499	19.1
67.12817	1.5
69.03429	7.5
69.07065	15.3
69.72730	12.2
71.04971	17.3
72.62053	1.5
79.05489	18.4
81.07051	100.0
83.04967	8.2
83.08618	6.4
85.06516	7.9
91.05476	11.0
93.07041	29.8
95.04963	5.9
95.08606	29.3
97.06509	8.7
97.10195	7.8
98.20752	2.1
99.07469	3.4
99.08088	41.3
105.07014	23.2
107.08590	28.4
109.06480	9.7
109.10146	28.2
111.08074	2.7
111.59345	1.7
113.09480	2.1
119.08561	16.9
121.06515	4.0
121.10137	20.1
123.08065	5.8
123.11698	11.2
125.09605	8.2
127.07555	19.0
127.11244	7.9
131.04909	2.2
131.08559	7.6
133.10117	38.3
133.11076	2.9
135.08067	2.4
135.11671	15.0
137.05980	2.6
137.09653	4.1
139.11186	5.1
143.10713	5.1
145.10114	12.5
147.11661	11.5
149.09566	4.0
149.13254	14.6
151.11172	24.5
155.10683	2.3
159.11681	12.3
161.13258	14.0
163.07658	1.9
163.11185	3.7
165.12798	4.5
169.12178	1.9
173.13280	5.7
175.14828	5.4
177.05415	2.2
177.09109	2.0
177.12762	4.4
177.16339	3.1
179.14342	3.6
191.07054	2.2
191.14319	3.4
191.17889	3.9
193.08676	2.2
201.16359	14.5
219.10185	4.0
219.13986	3.2
219.17427	27.9
237.07463	2.8
237.11108	6.3
237.14832	3.9
237.18506	24.8
237.22169	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	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03917	2.4
54.42347	1.8
55.05510	48.9
56.96538	2.3
57.03448	2.5
59.04992	1.9
67.05506	13.5
69.03420	6.4
69.07064	12.2
70.19325	1.8
71.04991	33.0
71.59669	2.5
71.60008	2.6
73.51431	1.8
79.05495	11.1
81.07047	40.3
83.04978	60.3
83.08611	4.9
85.06548	2.9
87.08114	2.1
91.05475	14.6
93.07043	25.7
95.04979	10.0
95.08605	22.8
97.06522	12.9
97.10149	2.7
98.97578	2.8
99.08117	5.6
100.28033	1.9
105.07013	36.6
107.08595	24.3
109.06495	12.0
109.10144	24.0
111.08075	8.0
117.07018	5.8
119.08537	9.9
121.06571	2.5
121.10142	36.9
123.08083	6.2
123.11691	15.7
125.09650	2.6
127.07552	2.2
127.11188	16.6
130.91850	2.1
131.08554	16.0
132.09898	2.3
133.10123	100.0
135.08051	3.0
135.09142	1.9
135.11684	15.8
137.09586	3.9
137.13228	2.2
139.11171	21.3
143.10667	5.1
145.10118	18.4
147.11664	15.9
149.09608	3.6
149.13277	8.1
151.11180	36.4
153.12756	16.2
155.10645	3.7
159.11691	18.7
161.13240	5.5
163.11191	4.7
171.94977	1.9
177.12773	2.5
177.16325	2.3
181.12292	2.6
189.09132	2.8
191.07028	5.9
191.17949	2.7
201.12779	2.4
201.16362	17.9
207.09715	2.2
214.74718	2.2
216.10136	3.5
219.10126	5.3
219.13785	4.0
219.17413	25.8
228.10167	3.0
237.10919	2.7
237.14775	6.1
237.18460	43.3
237.22084	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03940	2.8
55.05509	45.0
57.07084	2.8
59.04973	3.4
63.86169	2.1
66.58980	2.2
67.05492	8.1
69.03438	4.2
69.07054	8.0
70.91939	5.7
70.92352	1.8
71.04988	34.8
72.60287	1.7
73.06548	3.8
77.14425	1.8
79.05486	7.6
80.12640	1.8
81.03377	1.8
81.07055	37.6
83.04977	66.2
83.08636	4.0
85.06525	2.5
86.08056	2.0
91.05463	12.1
92.60400	1.9
93.07043	27.1
95.04955	11.7
95.08607	19.1
97.06525	10.0
98.97568	4.8
105.07013	28.6
107.08585	21.4
109.06521	6.3
109.10146	25.8
111.08073	9.7
116.98607	4.9
117.07030	4.2
119.08590	11.3
121.06544	2.1
121.10139	40.5
123.08057	4.3
123.11668	14.0
125.09638	3.8
127.11193	11.5
131.08557	10.1
133.10120	100.0
135.11670	14.7
137.09599	2.9
137.13268	2.6
139.11163	23.8
139.32613	2.2
142.07780	2.6
145.10104	18.5
147.11688	16.0
149.09615	6.3
149.13240	12.8
151.11177	30.9
153.12715	20.6
155.10658	3.8
156.08026	2.2
158.99654	2.7
159.11682	20.7
161.13245	4.6
163.11195	7.6
172.02202	2.1
177.00708	4.4
180.96661	2.0
181.12241	4.0
189.09106	2.3
191.07010	3.7
191.17998	3.9
201.16379	16.9
219.17435	26.5
228.10126	8.2
237.07332	2.1
237.10733	6.0
237.14832	2.7
237.18488	47.2
239.06215	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.77970	1.4
53.03928	2.4
55.01853	2.6
55.05510	12.3
57.03429	2.6
57.07070	4.8
57.72906	1.4
59.04986	4.8
60.37443	1.5
67.05492	20.2
69.03418	11.3
69.07066	12.6
69.98505	6.6
71.04987	21.1
75.87128	1.4
79.05486	22.5
81.07050	100.0
83.04980	6.5
83.08607	6.8
85.02905	2.0
85.06537	7.2
86.13230	1.4
91.05491	8.6
93.07042	24.3
95.04961	7.0
95.08601	28.6
97.06516	7.8
97.10147	5.4
99.08084	36.9
102.67474	1.5
105.07021	20.9
107.04951	2.7
107.08586	28.4
109.06499	11.7
109.10158	28.9
111.08072	6.4
113.09655	1.8
116.98598	1.6
117.07028	3.9
119.08566	13.6
121.06538	4.4
121.10136	25.3
123.08059	7.1
123.11674	9.0
125.09618	5.3
127.07549	18.6
127.11188	17.5
129.06970	2.6
131.08563	8.9
133.10109	42.8
135.08029	4.4
135.11678	12.8
137.09592	8.4
139.11200	4.3
143.10689	3.7
145.10110	11.8
147.11655	8.2
149.09538	2.9
149.13258	12.7
151.11185	30.8
153.12715	1.7
155.10654	5.6
159.11694	12.0
161.13266	7.2
163.11197	4.7
163.14854	2.1
165.12793	3.6
169.12236	2.8
173.13264	3.4
175.14856	2.2
177.12747	3.2
177.16420	9.2
191.07040	3.0
191.14236	3.5
191.17970	2.7
201.16318	11.5
219.10187	3.9
219.13879	3.7
219.17433	21.2
237.05489	2.1
237.09325	2.5
237.11308	2.9
237.14767	11.8
237.18527	22.2
237.22070	9.5
255.31610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.70754	1.5
53.03931	2.4
53.35469	1.4
55.01857	4.0
55.05505	16.2
56.96556	2.5
57.03427	3.8
57.07072	8.2
59.04991	5.3
64.11031	1.4
65.03931	2.2
67.05495	33.1
69.03426	11.5
69.07059	20.1
71.04987	41.5
71.08617	1.5
71.63196	2.4
73.06564	1.6
78.77776	1.4
79.05485	24.8
81.03415	1.9
81.07050	100.0
83.04961	7.8
83.08611	10.9
85.02882	2.7
85.06538	8.6
87.04464	2.1
89.06020	7.3
91.05466	15.1
91.46118	1.3
93.07035	38.7
95.04956	9.1
95.08595	35.3
97.06519	12.6
97.10163	6.3
99.04441	3.0
99.08085	34.3
101.06007	2.2
103.05413	2.2
104.07080	1.9
105.07018	31.7
107.04939	2.9
107.08589	40.4
107.09286	3.0
108.08896	1.5
109.06496	15.9
109.10143	49.9
111.04418	1.9
111.08074	6.0
111.11690	2.4
113.05967	2.2
117.07005	4.2
119.08572	23.5
121.06538	7.1
121.10129	31.9
123.08050	7.1
123.11696	15.6
125.09619	8.8
127.07561	18.4
127.11182	28.9
127.54362	1.3
129.06992	1.6
131.04930	1.6
131.08571	10.2
133.10120	36.4
135.08076	9.4
135.11679	16.8
137.09590	9.0
137.13219	1.9
139.07510	2.2
139.11151	3.9
143.10666	3.5
144.05624	1.8
145.06482	2.5
145.10106	20.5
147.08015	1.7
147.11673	27.1
149.02347	1.5
149.09627	5.8
149.13257	29.1
151.07526	2.1
151.11180	29.6
155.10655	5.3
159.08009	3.9
159.11687	13.2
161.09650	1.8
161.13263	9.4
163.07553	2.6
163.11186	9.5
163.14833	3.0
165.12711	3.8
169.12238	3.9
173.13258	5.1
175.14861	5.8
177.05455	3.1
177.09079	2.7
177.12694	4.2
177.16347	5.8
179.14345	2.3
181.08665	1.9
181.12273	2.1
187.07539	2.0
191.07097	3.2
191.14282	5.7
191.17906	5.7
193.12180	2.2
194.07333	1.6
201.12822	2.7
201.16391	16.1
219.10164	5.9
219.13808	6.5
219.17436	38.9
219.20796	1.8
237.05559	1.8
237.07315	2.8
237.09146	4.1
237.11159	6.3
237.14778	16.4
237.18491	35.2
237.22058	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	237.1119
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
52.83047	0.6
55.05491	1.7
56.96562	0.7
57.07063	2.0
65.03905	0.6
67.05481	1.9
69.03432	1.0
69.07052	2.0
69.85413	3.7
79.05470	2.7
81.03381	0.6
81.07048	3.7
83.04969	2.0
91.05470	2.1
93.07044	3.1
94.50268	0.7
95.04964	1.7
95.08587	3.4
103.05486	0.7
105.06994	1.6
107.04938	5.4
107.08575	2.3
109.10125	1.8
111.08019	0.6
115.96376	0.7
119.08571	1.1
121.06496	1.1
121.10109	2.0
123.11631	0.7
123.26382	0.7
125.09592	0.8
127.07421	0.5
131.08553	1.2
133.02875	1.2
133.10152	0.8
135.04431	4.0
135.08067	2.2
135.11685	0.9
137.09590	0.6
145.10101	1.3
147.08003	0.9
149.02307	1.2
149.09616	0.9
161.05885	0.6
163.03891	27.0
163.11102	0.7
165.03290	0.6
177.05452	18.3
177.12729	0.8
180.04236	1.0
181.04909	2.6
189.05280	0.6
193.05058	0.8
201.09064	0.8
219.10144	100.0
220.10574	1.2
237.07436	1.4
237.09206	0.8
237.11171	16.5
237.14847	1.8
237.18309	1.9
237.22124	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	237.1121
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
55.05346	0.5
55.05585	1.1
56.96630	0.6
57.06890	0.3
57.07150	1.0
59.47179	0.3
62.05806	0.3
63.67009	0.3
67.05590	1.8
69.03500	0.5
69.07157	1.9
69.36023	3.5
71.05058	0.7
71.08707	0.4
73.56583	0.3
75.07469	0.3
75.96761	0.4
77.04008	0.4
79.05587	2.1
81.03504	0.5
81.07150	3.3
83.05069	1.1
83.08703	0.7
85.02984	0.3
85.06621	0.4
91.05582	1.9
93.07052	2.2
95.05072	1.3
95.08608	3.5
97.02962	0.5
97.06611	1.0
99.08144	0.5
105.07011	2.0
107.04963	3.8
107.08575	2.4
109.06612	1.0
109.10255	1.2
111.04533	0.4
111.08154	0.8
116.98694	0.5
117.07072	0.4
119.08637	0.8
121.06594	0.9
121.10205	1.5
123.08082	0.5
123.11784	0.9
125.06063	0.5
125.09723	1.1
131.05011	0.7
131.08667	1.2
133.02921	1.1
133.06520	0.4
133.10211	1.1
134.03732	0.5
135.04402	4.1
135.08081	0.5
135.11754	1.3
137.13394	0.5
141.05531	0.9
145.10199	0.9
147.04385	0.3
147.08124	0.7
147.11743	0.6
148.01596	0.6
149.02306	1.8
149.06003	0.4
149.09625	0.5
149.13300	1.0
151.03963	0.7
151.11279	0.5
153.09282	0.4
159.08154	0.9
159.11749	0.8
161.06046	0.4
161.13307	0.5
163.03902	25.1
163.11165	0.6
163.14896	0.6
173.13309	0.5
175.15019	0.5
177.05464	19.2
177.12782	0.6
177.16447	1.2
180.04214	1.3
181.04955	2.5
185.76636	0.4
191.07056	0.5
191.10606	0.5
191.18118	0.4
193.05022	1.0
193.32509	0.4
195.95877	0.4
201.09061	0.9
201.16451	0.6
219.10152	100.0
220.04230	0.6
220.10452	0.9
228.12047	0.4
237.07397	1.5
237.09448	0.6
237.11172	15.3
237.14722	3.2
237.18602	2.2
237.22067	3.0
255.14319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	DIHYDRO-beta-TUBAIC ACID
Peak:m/z	Relative Intensity
55.01892	0.8
55.05491	1.5
56.96552	1.1
57.07053	2.1
59.04996	0.7
61.84258	0.6
67.05503	3.1
69.03434	0.7
69.07057	3.2
70.56264	1.2
70.56631	1.4
71.04965	1.4
78.63414	0.6
79.05473	2.6
81.07043	5.1
83.04962	2.9
83.08601	1.8
91.05466	1.5
93.07039	3.8
95.04947	1.2
95.08595	3.7
97.06526	1.5
97.10178	0.9
97.39865	0.6
99.08103	0.6
105.07008	2.3
107.04929	2.6
107.08571	3.2
109.06477	1.4
109.10154	2.9
111.08059	1.2
119.08559	1.6
121.06477	1.1
121.10154	3.4
123.08080	1.2
123.11656	1.1
125.09626	0.7
126.32040	0.6
129.74890	0.7
131.08546	1.7
133.02882	0.8
133.10150	1.1
134.03636	0.7
135.04404	2.4
135.08031	1.1
135.11670	2.4
145.10115	1.1
147.11688	0.7
149.02271	0.8
149.05936	0.8
149.09581	0.9
149.13252	1.3
159.11658	1.6
163.03893	17.0
163.11160	1.2
175.14812	0.8
177.04018	1.3
177.05450	13.8
181.04942	1.3
190.95392	0.9
191.17928	0.9
192.04785	1.1
192.72017	0.7
195.11655	0.6
205.57547	0.8
209.09584	0.8
219.10147	100.0
219.17401	2.1
220.04263	2.4
220.10439	0.7
225.29143	0.6
237.07430	1.6
237.09335	0.7
237.11148	18.5
237.14839	2.7
237.18402	2.9
237.22083	5.8
238.06053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20797	1.1
50.69864	1.1
52.12397	1.1
53.03938	3.2
55.01879	9.5
55.05500	5.3
56.05018	1.9
56.75706	1.1
56.96563	80.4
57.03434	47.5
57.07065	2.6
58.03770	1.4
59.04992	4.6
60.04528	1.9
60.95859	14.7
61.02922	43.4
67.05483	3.3
69.03425	45.5
69.03802	2.2
69.07037	3.1
69.23898	1.2
69.40392	2.4
69.40799	8.5
70.03012	1.1
70.03756	2.6
70.06576	5.9
70.98117	2.8
71.01329	6.7
71.04993	15.4
71.95251	2.1
72.04504	1.5
72.05312	1.3
72.08142	4.5
73.02914	65.1
74.03260	2.3
74.06077	2.2
74.97598	5.7
75.01017	1.8
75.04471	3.4
77.00804	2.2
79.05476	4.1
81.03410	25.2
81.07074	6.1
82.03740	2.3
83.00783	1.9
83.01333	2.7
83.04971	7.0
84.01551	11.8
84.04494	3.0
84.08128	5.4
84.96027	7.5
85.02900	68.6
86.03212	4.0
86.03680	6.3
86.06052	2.1
86.09702	1.8
87.04461	11.2
88.04000	1.2
88.95322	2.9
88.99139	1.3
89.00784	1.9
90.01552	7.6
91.03946	4.2
91.05486	3.9
92.01276	2.8
93.02087	6.6
93.07034	4.6
95.00759	1.5
95.01337	1.3
95.05003	2.4
95.06985	1.2
95.08593	2.3
96.01536	6.7
97.02888	64.6
97.06533	1.7
97.96814	1.5
98.01295	5.0
98.03233	7.0
98.21479	2.9
98.97575	59.9
99.02050	5.1
99.04443	10.5
99.97920	2.0
100.02454	6.1
100.05239	4.7
100.80073	1.4
100.99136	5.6
101.00784	2.8
101.02403	2.6
101.05988	1.7
101.52299	1.4
102.01573	2.5
102.96945	4.1
103.00509	1.5
103.02348	4.8
103.03941	1.7
103.05462	1.7
104.01282	3.7
104.03053	1.7
105.00362	2.1
105.02061	9.8
105.07032	2.9
106.00934	1.3
106.02855	3.0
107.00135	1.6
107.08575	1.3
108.02576	2.1
109.02291	1.4
109.02876	17.1
109.06531	1.4
109.10133	1.5
109.69648	1.2
110.01270	8.5
110.03178	1.7
110.06003	1.2
110.07185	1.3
110.97549	7.4
111.02078	11.9
111.04447	2.8
112.00972	3.9
112.02821	3.5
112.07606	1.9
112.99119	5.3
113.01706	1.7
113.02371	3.7
113.05943	2.2
114.02602	1.8
115.02407	3.0
115.03237	1.3
115.03938	6.1
115.52087	1.5
115.97777	1.5
116.01249	5.4
116.03873	1.9
116.98615	52.2
117.02036	4.6
117.03925	1.2
117.98935	1.9
118.01059	1.5
118.02814	9.7
118.03578	5.0
118.53010	1.3
119.00183	6.3
119.01829	25.2
119.52015	1.8
120.02638	6.3
120.08097	6.9
120.97954	2.7
121.01638	7.7
121.06492	5.4
122.06049	1.6
122.99422	1.9
123.01994	1.5
123.04485	2.2
124.02806	2.5
125.01751	12.5
125.03603	2.1
126.02548	10.2
127.01534	2.7
127.03960	21.5
128.02318	8.7
128.04224	2.4
128.52792	1.9
128.98589	20.5
129.02101	1.2
130.04979	1.8
130.08632	2.8
130.52591	2.9
131.00171	17.9
131.01791	8.4
131.04927	3.1
131.53377	2.5
132.00716	1.9
132.02548	5.4
132.97943	2.1
133.01608	1.7
133.03430	9.8
134.02310	17.8
134.03511	2.5
134.99657	35.9
135.03152	5.8
135.11653	1.5
137.02910	2.9
137.06029	3.2
137.53352	2.4
138.02559	4.3
138.05457	1.8
138.09119	2.0
138.98903	3.6
140.00208	2.9
140.02301	14.6
140.52499	1.7
141.01271	2.8
141.03123	7.0
141.05405	2.1
142.96494	2.1
143.00160	5.7
143.01842	3.3
143.02820	35.3
143.53047	2.9
144.02632	1.9
144.98186	1.4
145.01604	5.0
145.03426	6.3
145.04976	6.8
145.10190	1.5
145.53088	2.6
146.02341	6.3
146.03394	1.5
146.06021	12.9
146.55267	1.5
146.99646	28.7
147.03101	26.5
147.04951	4.3
147.53278	2.2
148.03871	4.4
148.04897	1.9
148.54802	5.0
149.01215	49.5
149.02780	9.8
149.04672	3.4
149.05919	2.6
150.01706	2.0
150.03592	3.0
150.99084	3.5
151.04529	3.6
152.02280	3.0
152.03331	3.4
152.52124	1.4
153.00618	5.0
153.03070	1.7
154.02075	2.1
154.03789	1.5
154.08649	2.8
154.53632	6.7
154.94138	2.4
155.02815	6.9
156.03610	100.0
156.05269	7.7
156.53806	7.7
157.01567	2.9
157.03517	2.8
158.01247	2.2
158.03397	5.2
158.99643	14.9
159.03214	2.4
159.05014	2.0
160.97624	2.7
161.01218	17.4
161.02876	7.1
161.13248	1.6
161.54407	1.5
161.55635	4.0
162.03622	9.1
162.05400	5.1
162.53911	2.4
162.55702	1.5
162.99098	7.3
163.02670	6.0
163.04349	4.4
164.03429	3.0
164.05026	1.8
164.06984	1.3
165.00697	9.1
165.04205	6.8
166.53658	1.7
166.98450	2.4
167.02234	23.7
167.54419	18.8
168.01849	3.7
168.04947	2.6
169.00082	2.4
169.04347	4.1
170.03339	2.3
170.04907	2.3
170.53586	1.8
170.56186	4.7
170.99648	7.1
171.04153	49.5
171.05725	1.8
171.53006	1.6
171.54295	9.9
172.02855	4.1
172.04385	2.4
172.95258	14.0
172.97577	2.7
173.01201	9.3
173.02917	5.3
173.54361	1.5
174.05569	6.7
174.99127	3.7
175.02618	5.6
176.03355	8.1
177.00725	28.2
177.02322	4.7
177.04222	3.8
177.05603	2.2
178.04893	28.9
178.55077	5.8
179.02264	11.2
179.04707	1.4
180.04680	3.5
181.00111	2.6
182.03264	6.9
182.06763	1.5
182.08199	3.5
182.54947	10.4
182.56544	1.9
183.02026	3.8
183.03906	1.8
184.03035	7.7
184.04642	1.7
185.03999	10.6
185.54166	2.4
186.04536	2.6
186.06171	3.4
186.99190	1.5
187.00996	1.8
187.02687	1.5
188.05957	3.8
189.00674	20.6
189.02274	2.5
189.04211	1.6
189.55762	4.6
190.55653	1.7
190.96318	12.2
190.98636	15.8
191.00182	1.8
191.00510	2.2
191.02255	24.6
191.03886	9.0
191.05643	2.6
191.08150	4.6
191.54045	2.5
192.02890	3.3
192.04620	4.4
192.06331	1.5
193.00197	3.2
193.03683	4.7
194.04408	38.1
194.97887	2.1
195.01656	4.1
196.54640	3.2
197.03345	8.0
198.02856	9.3
198.04469	2.1
200.02585	2.1
200.04399	9.2
200.06062	1.7
200.54680	2.6
201.00735	8.1
201.05005	1.5
202.98570	1.5
203.02249	4.6
203.04961	12.2
205.00201	3.8
205.55186	17.5
206.54625	2.4
207.01740	6.5
207.03419	3.3
207.05200	4.0
208.99681	4.3
209.03293	7.7
209.05002	3.9
210.05803	1.7
211.04753	1.9
212.02347	2.0
212.04337	1.6
212.98956	5.2
213.04268	2.8
214.00165	2.5
214.03894	5.1
214.05670	3.5
214.09267	1.4
214.55698	1.7
215.02232	1.9
215.04219	1.9
216.05585	7.5
216.56210	2.5
217.00266	1.9
217.05898	4.4
218.54163	3.3
219.01711	11.8
219.03484	4.2
219.07031	3.5
220.07286	8.3
220.99684	1.5
221.03136	8.8
221.06911	4.3
223.01212	4.8
223.06326	1.8
225.06154	2.8
225.56862	6.6
227.56967	1.4
228.03824	10.7
228.05753	21.5
228.56039	2.7
230.98160	3.2
231.01785	3.6
232.01546	1.6
232.04889	7.5
233.03244	2.5
234.06691	3.3
234.08952	1.6
234.57208	1.9
235.01254	2.6
235.06837	2.6
236.55458	2.4
236.57690	6.1
237.02510	10.2
237.06261	22.1
237.08234	14.0
237.12090	4.9
237.14955	6.0
237.22156	4.8
239.04248	2.0
246.06894	2.2
249.02823	3.3
251.04402	2.0
253.07578	1.7
255.03799	3.9
255.07315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.05508	14.5
56.83500	1.5
57.07061	6.3
65.03927	1.8
67.05499	74.8
69.07063	15.7
71.22032	3.0
71.22372	1.5
77.03897	1.9
79.05486	22.9
81.07053	100.0
83.08609	9.3
91.05474	19.1
93.06460	2.7
93.07037	39.7
95.04950	4.3
95.08601	87.6
97.06505	1.6
97.10144	5.1
97.38317	1.4
105.07025	32.2
107.04955	2.0
107.08585	28.1
109.06492	2.7
109.10148	43.6
117.07014	9.3
119.08575	18.2
121.06479	3.8
121.10136	25.8
123.08038	2.1
123.11678	15.1
125.05971	2.4
129.06958	2.3
131.08560	38.9
133.06401	1.7
133.10098	11.8
135.08012	2.0
135.11665	19.6
137.05920	2.2
137.13284	7.7
139.07527	4.5
143.08517	3.4
144.09351	2.6
145.06343	1.9
145.09039	2.7
145.10115	44.4
147.04388	1.6
147.08029	2.5
147.11647	10.5
149.05933	2.0
149.09506	1.6
149.13264	7.5
151.07532	4.8
151.14777	4.4
154.08650	1.8
155.08568	4.8
157.10104	4.4
159.08028	5.1
159.11699	35.1
161.09572	1.7
161.13225	12.4
163.07500	4.1
163.11176	1.5
163.14796	4.0
169.10106	2.3
171.11665	2.3
173.09610	5.4
173.13176	3.1
175.11208	3.2
177.05472	2.2
177.09088	11.4
177.16336	1.8
178.06290	2.1
187.11163	6.1
187.14824	93.6
189.16353	3.3
191.06995	2.5
191.10657	3.4
191.17937	1.7
197.13167	10.5
205.15834	5.6
215.10918	2.0
215.14325	30.3
217.15857	4.2
233.04408	2.7
233.11589	4.6
233.15317	70.8
233.18970	46.1
233.22626	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
50.14158	0.7
53.03929	2.3
55.01863	3.6
55.05516	4.2
56.96557	2.7
57.07072	8.5
58.97281	0.7
59.04992	0.9
65.03931	1.3
67.05502	8.7
69.03432	4.7
69.07079	3.4
71.05003	3.4
71.60358	1.4
72.08153	1.4
73.02907	0.8
79.05489	23.2
81.03411	1.5
81.07054	41.4
83.04966	5.1
85.02894	1.3
85.06525	2.0
89.12719	0.8
91.05474	17.9
93.07040	36.6
95.04965	10.6
95.08595	9.4
97.06530	10.4
98.97572	10.3
99.04459	5.2
102.03842	0.6
103.05467	1.5
105.07019	28.1
107.04942	8.1
107.08587	14.0
109.06508	29.9
109.10126	2.7
111.04440	1.5
111.08062	1.4
113.05992	0.9
115.05453	2.5
116.98620	7.6
117.06998	4.1
119.01778	1.0
119.04929	2.7
119.08580	17.3
121.06499	100.0
121.10116	4.8
123.04435	2.6
123.08073	4.7
123.11728	0.9
125.05992	2.6
127.07561	10.9
128.02283	1.0
128.06232	2.6
129.07018	6.8
129.99695	0.8
130.07758	1.5
131.08574	7.7
133.06474	5.7
133.10136	9.3
134.99658	2.8
135.04434	5.0
135.08043	11.0
135.11671	1.8
137.05983	6.8
137.09634	1.3
139.07550	4.0
141.06969	1.3
142.07776	6.1
143.08560	11.0
144.09270	0.7
145.06476	2.1
145.10100	6.9
146.07256	0.7
147.04396	2.2
147.08041	6.4
147.11676	18.2
149.06134	0.7
149.09602	4.4
149.13293	1.4
151.07553	1.1
155.08572	1.8
156.09317	5.3
157.06497	1.6
157.10115	16.9
158.10823	0.9
158.99637	3.1
159.08049	1.4
159.11673	2.8
161.05954	2.0
161.09630	3.7
161.13269	4.9
163.07616	0.7
165.06975	1.6
165.12729	2.1
166.07780	4.7
171.08047	2.1
171.11691	17.3
173.09659	2.0
173.13206	4.7
174.10263	0.9
175.07561	9.6
175.11171	25.8
175.14836	1.0
177.00690	5.7
177.12587	1.3
179.10641	4.5
181.10130	4.5
184.08833	1.1
189.09180	0.9
189.12740	23.3
191.14293	1.9
193.12209	1.2
199.11169	27.0
199.14865	1.0
207.13860	1.5
214.08545	9.9
214.58727	2.2
217.12230	56.2
217.15868	3.1
223.09090	10.9
223.59247	3.3
224.09732	0.7
233.90709	0.8
234.59920	2.7
235.09708	4.0
235.13306	35.0
235.16940	24.5
235.20607	1.6
236.08908	0.8
239.09615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.1
71.49300	1.8
79.55740	0.7
82.36211	0.7
82.99843	2.3
84.08179	0.8
84.35740	0.9
89.79472	0.7
100.99126	1.7
101.00870	19.6
103.02425	1.3
105.00368	0.8
110.97583	1.3
115.02422	3.8
116.98610	1.2
119.01915	71.0
120.01997	1.2
126.97047	0.8
127.02382	5.9
128.98561	1.8
131.01895	3.0
133.03461	23.1
137.01970	1.2
137.02956	18.5
142.03496	1.7
143.01881	4.3
145.03456	97.1
146.03531	1.8
146.99631	1.9
147.04976	0.8
151.04523	4.4
155.01979	1.6
157.03445	14.4
161.02953	19.1
162.99028	0.9
163.04518	41.4
164.04637	0.8
165.00760	1.1
168.05057	2.3
173.02956	22.9
174.03149	0.8
175.04523	41.1
176.04617	1.9
185.03061	1.3
187.04491	4.7
190.98618	1.9
191.04002	100.0
192.04161	2.8
198.00403	0.8
198.06107	1.2
203.04002	1.6
205.05597	1.7
208.99649	5.6
209.05014	1.7
214.05556	3.0
215.04054	1.5
227.00725	1.1
233.05022	49.5
234.05276	2.1
251.06136	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	232.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.7
57.07070	44.3
60.04518	10.0
70.02956	2.9
70.86076	1.6
70.86410	1.1
79.71576	0.6
85.06535	22.3
88.03981	59.1
102.05531	100.0
125.40755	0.7
130.05002	3.1
148.06029	97.0
160.93445	0.7
186.11238	2.9
200.09103	1.7
214.10725	1.1
232.11807	1.2
247.49751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0976
Annotation	H-Pro-Asp-OH
Peak:m/z	Relative Intensity
52.37466	0.9
53.03933	1.8
55.01856	2.0
55.05505	7.6
56.05030	1.9
56.96563	26.1
57.03427	2.3
60.52718	1.0
61.02917	2.0
64.54382	1.0
67.05490	3.3
69.03422	8.2
69.07063	1.6
69.39548	1.1
69.39837	9.9
70.06586	2.5
71.04967	2.4
73.02911	3.0
74.97611	2.0
79.05495	5.6
81.03398	4.4
81.07050	13.1
82.06105	1.8
82.06573	30.6
83.04973	1.1
83.06100	15.3
84.08147	5.8
84.95988	1.5
85.01425	1.2
85.02904	6.3
85.06504	1.1
86.09689	1.9
86.99259	1.0
91.05478	8.7
93.07037	8.3
95.04952	2.8
95.06066	4.9
95.08568	6.8
96.04504	1.2
97.02888	3.7
98.97572	13.1
99.04457	2.5
100.07619	2.1
100.99127	1.6
101.00892	5.0
103.02439	13.3
103.05445	1.9
105.07018	14.3
107.08578	4.1
109.02898	1.8
109.06521	1.1
109.10150	1.4
110.06048	2.7
110.97581	1.9
111.05595	1.7
113.00821	1.1
113.02377	1.5
114.05576	1.0
114.80940	1.0
115.05408	1.5
116.98618	12.2
117.03986	4.0
117.07009	8.0
119.01907	48.3
119.04914	2.2
119.08546	8.2
120.02116	1.0
121.01620	2.6
121.03483	10.8
121.06519	2.0
121.10136	2.7
123.04379	1.2
127.02399	1.3
127.03913	2.5
128.06216	6.4
128.07065	87.6
128.98589	3.6
129.00311	1.5
129.06714	11.6
130.07767	1.6
131.00177	1.7
131.01894	4.0
131.08549	16.6
132.09424	1.0
133.03462	4.7
133.06514	1.7
133.10136	2.5
134.95163	1.0
134.99690	8.2
135.03247	1.0
135.05057	7.6
137.01328	1.2
137.02939	18.7
137.05988	1.7
137.07062	3.0
141.06648	2.8
142.03459	1.5
142.07768	4.0
143.08548	21.9
144.09326	2.3
144.98090	1.0
145.03459	29.2
145.04716	1.8
145.06441	2.3
145.10123	18.4
146.10878	2.1
146.99623	3.8
147.01375	16.6
147.08041	3.2
149.01215	1.9
149.02916	1.7
151.04469	2.0
151.07556	2.9
153.00737	2.1
153.06618	1.3
155.08424	4.9
156.09300	3.2
157.03412	3.1
157.06403	1.7
157.10124	14.1
158.99641	1.6
159.05107	1.8
159.08080	2.1
159.11674	10.6
161.01233	3.6
161.02950	13.7
161.06007	2.8
161.08389	1.1
161.09654	4.3
161.13254	1.5
162.99162	2.6
163.03049	1.8
163.04503	23.4
165.00771	2.7
165.02451	8.8
165.07004	2.4
167.08206	3.2
168.05096	2.3
169.10056	1.8
170.10915	2.8
170.99898	1.6
171.01393	9.1
171.07736	5.7
171.11699	7.2
173.02953	2.2
173.09216	54.7
175.07559	10.1
175.11148	2.0
177.00754	2.6
177.12575	1.2
179.04015	3.5
180.09343	1.5
180.28706	1.0
182.03311	1.3
183.01833	1.9
183.03554	1.8
183.07608	13.9
185.01477	1.2
185.02980	4.4
185.09650	2.5
185.13245	39.4
187.04465	1.6
189.00819	3.4
189.02425	73.0
189.09102	3.9
189.12715	4.9
190.02505	2.8
190.98602	1.4
191.03940	1.5
195.07660	2.0
195.11661	2.9
203.04036	4.1
203.10625	6.6
203.14305	6.6
205.05545	1.7
207.01749	3.7
207.03479	18.6
208.04526	4.0
208.99690	4.3
210.56238	2.4
212.04051	4.0
213.08710	29.4
213.12645	12.1
223.01270	1.1
225.02834	1.9
226.05580	1.0
230.98331	1.3
231.03503	30.0
231.07422	3.8
231.09767	100.0
231.13608	46.7
232.10001	1.7
249.04607	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	231.0975
Annotation	H-Pro-Asp-OH
Peak:m/z	Relative Intensity
53.03953	0.4
53.62831	0.4
54.69583	0.5
55.05506	6.8
56.05028	1.0
56.41328	0.4
56.96560	0.4
62.90154	0.4
67.05497	0.7
69.94078	2.9
81.07048	1.5
82.06572	42.8
84.08147	2.9
91.05477	1.2
93.07043	0.6
95.08569	0.7
98.21396	0.8
100.07613	2.0
105.07061	2.1
107.08590	0.6
110.06020	1.8
117.06988	0.8
119.08652	0.6
128.07065	100.0
129.06949	1.1
131.08556	1.8
133.10074	0.7
137.07126	2.3
142.07820	1.1
143.08533	2.6
145.10030	2.0
155.08241	1.6
156.06664	0.6
157.10106	2.4
159.11694	1.1
170.10841	0.5
171.08000	0.8
171.11765	0.7
173.09207	66.2
175.07535	1.1
183.07661	6.1
185.09323	0.7
185.13226	4.4
195.11624	0.7
203.14299	0.8
213.08698	7.5
213.12630	0.9
231.09743	30.5
231.13454	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	230.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	68.3
57.03417	4.5
69.03418	4.6
71.58515	1.9
71.95273	1.2
73.02914	8.8
74.97583	1.4
81.03416	1.3
84.04490	2.4
84.96010	4.7
85.02887	2.7
96.68262	1.0
97.02870	4.1
97.99199	1.0
98.97576	100.0
100.02462	1.1
100.99140	40.0
101.00884	3.2
110.01411	2.0
115.03928	2.1
116.98613	78.9
117.02119	1.0
119.00191	18.8
119.01038	1.5
119.01895	13.4
122.01424	1.1
125.01912	2.5
128.98599	4.2
128.99681	4.1
129.02132	1.5
131.00183	2.2
131.01880	4.9
131.97490	1.0
134.98630	2.3
134.99655	37.9
137.01892	5.7
137.02881	1.9
137.51978	2.9
140.00194	3.3
142.01894	0.9
142.03462	2.5
143.00142	23.2
143.01900	2.8
144.02679	1.1
144.98103	1.7
145.01730	1.3
145.03441	3.0
146.99658	6.7
149.02956	1.2
150.00153	1.7
152.02393	1.3
153.00606	5.1
154.01277	1.1
155.01903	1.5
156.00151	3.0
158.01265	2.8
160.04527	3.1
160.49628	1.1
161.01208	61.2
161.02855	3.1
162.00101	1.3
162.99178	4.0
165.00717	28.0
167.02937	2.3
168.00206	1.5
169.53253	1.3
170.99687	1.5
177.00838	8.3
177.50961	1.1
179.02231	9.2
183.01775	29.2
183.99799	2.4
184.02908	2.4
184.04491	11.4
186.01195	4.2
188.03607	1.7
189.00679	9.3
189.02194	1.4
195.01796	1.5
197.54231	1.1
198.01198	2.4
199.04422	1.6
202.05595	7.0
203.02403	2.1
205.00429	2.8
207.01732	44.3
213.00079	1.3
213.50046	1.1
215.02470	1.5
215.51082	1.4
216.51050	1.1
219.02028	2.9
221.04977	2.2
225.02831	15.0
230.03203	2.4
230.05258	6.3
243.02031	4.6
248.06311	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	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
53.06915	0.2
55.01874	0.6
56.96560	1.7
57.03420	0.4
58.06594	5.1
59.07382	1.0
60.08158	6.4
63.16504	0.2
66.61484	0.2
68.05032	0.8
69.03428	0.5
69.88640	0.9
70.06585	32.3
71.04967	0.2
72.08151	0.7
73.02915	0.2
80.50616	0.2
81.03388	0.2
83.17246	0.2
85.02892	0.5
91.05473	0.3
96.08121	1.2
98.06076	0.7
98.97571	1.9
111.46841	0.2
114.05521	3.7
114.06644	0.3
114.09161	2.1
116.07103	0.9
116.98620	1.6
119.01891	0.7
124.07566	3.4
126.09156	0.7
126.78142	0.2
134.31064	0.2
134.99667	0.8
137.05952	0.4
142.08618	28.9
143.08972	0.4
147.04407	0.4
151.65208	0.2
158.99686	0.3
161.01225	0.2
170.08089	1.5
177.00697	0.4
208.04916	0.6
217.05409	0.3
229.15446	100.0
230.15770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	68.3
57.03417	4.5
69.03418	4.6
71.58515	1.9
71.95273	1.2
73.02914	8.8
74.97583	1.4
81.03416	1.3
84.04490	2.4
84.96010	4.7
85.02887	2.7
96.68262	1.0
97.02870	4.1
97.99199	1.0
98.97576	100.0
100.02462	1.1
100.99140	40.0
101.00884	3.2
110.01411	2.0
115.03928	2.1
116.98613	78.9
117.02119	1.0
119.00191	18.8
119.01038	1.5
119.01895	13.4
122.01424	1.1
125.01912	2.5
128.98599	4.2
128.99681	4.1
129.02132	1.5
131.00183	2.2
131.01880	4.9
131.97490	1.0
134.98630	2.3
134.99655	37.9
137.01892	5.7
137.02881	1.9
137.51978	2.9
140.00194	3.3
142.01894	0.9
142.03462	2.5
143.00142	23.2
143.01900	2.8
144.02679	1.1
144.98103	1.7
145.01730	1.3
145.03441	3.0
146.99658	6.7
149.02956	1.2
150.00153	1.7
152.02393	1.3
153.00606	5.1
154.01277	1.1
155.01903	1.5
156.00151	3.0
158.01265	2.8
160.04527	3.1
160.49628	1.1
161.01208	61.2
161.02855	3.1
162.00101	1.3
162.99178	4.0
165.00717	28.0
167.02937	2.3
168.00206	1.5
169.53253	1.3
170.99687	1.5
177.00838	8.3
177.50961	1.1
179.02231	9.2
183.01775	29.2
183.99799	2.4
184.02908	2.4
184.04491	11.4
186.01195	4.2
188.03607	1.7
189.00679	9.3
189.02194	1.4
195.01796	1.5
197.54231	1.1
198.01198	2.4
199.04422	1.6
202.05595	7.0
203.02403	2.1
205.00429	2.8
207.01732	44.3
213.00079	1.3
213.50046	1.1
215.02470	1.5
215.51082	1.4
216.51050	1.1
219.02028	2.9
221.04977	2.2
225.02831	15.0
230.03203	2.4
230.05258	6.3
243.02031	4.6
248.06311	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	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01870	8.8
55.05513	7.6
57.03434	3.2
67.05501	20.1
69.07064	16.1
69.41518	2.9
70.76530	8.3
78.57608	2.8
79.05477	16.2
81.07056	65.4
81.74593	2.8
83.04977	3.8
83.08601	8.8
85.06527	5.4
91.05470	22.0
93.07036	9.5
95.04971	4.5
95.08624	10.6
97.06516	8.2
99.08076	5.7
105.07020	28.7
107.08593	11.6
109.06511	7.6
115.07566	3.0
119.08585	25.3
121.10130	24.2
123.08088	3.6
123.11700	34.4
127.07476	3.3
129.07008	6.5
133.10136	7.8
147.11682	100.0
157.10138	10.7
165.12756	41.0
175.11215	13.7
183.13829	4.2
192.03152	2.9
193.12270	10.4
229.12239	4.9
229.14330	45.3
229.23506	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	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01864	0.6
55.05491	0.2
56.05021	0.5
56.96560	3.4
57.03422	1.3
58.06294	0.3
58.06593	5.5
59.04974	0.2
59.07373	1.2
59.85265	0.2
60.08160	6.7
61.02921	2.2
67.05502	0.3
68.05009	1.2
69.03427	1.4
69.07047	0.2
70.06584	35.1
70.83731	0.4
70.84089	0.4
71.04977	0.5
72.08135	1.3
73.02917	1.6
75.29530	0.2
81.03425	0.7
81.04536	2.9
82.06560	0.3
83.06097	0.5
84.04494	0.5
84.08129	0.2
84.96032	0.2
85.02892	2.0
85.06507	1.1
86.03680	0.3
86.07180	0.3
86.09689	0.2
93.87350	0.2
95.06081	5.8
96.08112	1.3
97.02370	0.2
97.02882	1.2
97.07655	0.3
98.06037	0.7
98.97569	3.4
99.04470	0.3
100.07629	0.2
100.99150	0.7
101.00870	0.9
109.02863	0.5
109.77383	0.2
110.97580	0.3
113.02382	0.2
114.05528	3.7
114.06648	2.7
114.09142	1.5
116.07076	1.7
116.98602	2.4
119.00194	0.5
119.01896	4.4
120.02005	0.4
121.01605	0.2
122.22394	0.2
124.07580	3.3
126.02596	0.3
126.09143	0.5
127.03940	0.5
127.05045	2.1
128.02321	0.7
128.07079	0.3
128.98613	0.5
131.00134	0.3
131.01894	0.8
133.01659	0.3
133.03487	0.8
134.99654	0.9
135.03117	0.7
137.02898	1.5
137.07054	0.5
141.03091	0.5
142.08618	28.3
143.00159	0.7
143.08975	0.3
144.99858	0.4
145.03436	0.3
146.54059	0.2
146.55289	0.2
146.99649	0.6
148.03839	0.4
148.06537	0.4
149.01161	0.4
150.03606	0.6
154.03896	0.3
158.99683	0.5
160.02098	0.2
161.01245	1.7
161.02921	0.4
162.01727	0.3
163.02820	0.3
163.04411	0.7
165.00754	0.7
165.10208	2.2
166.09782	0.4
168.99866	0.4
170.08098	1.5
173.01309	0.2
173.02971	0.3
175.02763	0.5
175.04510	0.3
177.00768	0.5
177.06001	0.2
178.04900	0.2
179.02193	0.3
183.01797	0.6
183.07697	0.5
183.11264	4.3
184.03081	0.2
187.00912	0.7
189.00676	0.5
193.00209	0.2
194.04395	0.3
201.00711	0.2
204.03003	0.3
205.05537	0.2
207.01764	0.9
211.10780	1.0
215.00368	1.1
217.05612	0.3
220.04158	0.3
225.02855	0.5
229.06775	1.1
229.11949	15.2
229.15434	100.0
230.11975	0.3
230.15732	1.5
237.02667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	Leucasone
Peak:m/z	Relative Intensity
50.03751	0.9
55.01854	1.1
55.05508	5.2
57.03419	3.0
57.07056	2.4
60.08152	9.9
60.21313	0.8
61.08485	1.2
65.30606	1.1
67.05501	6.8
69.07043	3.5
69.39065	2.6
69.39494	6.8
71.08612	1.0
79.05483	1.3
81.07039	3.3
83.04986	8.4
91.05471	6.7
95.04941	3.0
95.08602	5.8
103.05462	2.0
105.06983	1.6
107.04922	3.2
109.10154	1.4
115.05430	2.1
115.12598	0.9
117.07018	10.1
118.69617	1.0
119.04932	0.9
119.08562	2.5
121.08588	0.9
123.04446	7.3
129.07033	1.0
131.04915	2.5
131.08546	4.9
133.06458	2.5
134.03607	2.6
141.06985	3.0
142.07733	1.1
143.08577	1.2
143.49768	1.1
144.05695	2.6
145.06473	29.9
147.04398	100.0
147.08022	2.4
148.04749	1.3
153.06993	1.3
155.06036	2.2
155.08530	1.6
157.06445	2.1
158.07314	1.3
159.08020	11.8
160.05190	4.3
160.08841	5.6
161.05966	6.9
161.80557	0.9
169.06436	3.2
170.07245	1.6
171.07947	4.3
172.08826	2.4
173.05965	52.7
173.09619	3.3
175.07555	2.9
183.11682	2.5
187.07530	28.8
188.08304	75.6
200.08273	2.2
201.09076	5.9
201.12726	5.6
211.11148	2.2
228.26820	17.6
229.08646	1.8
229.12222	45.1
229.14474	2.4
229.27187	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	229.1433
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.06105	2.0
54.10358	2.0
55.01875	12.4
55.05505	17.4
56.96548	2.8
57.03443	5.9
57.07080	3.6
59.04995	2.0
67.05498	31.5
69.03424	16.9
69.07059	24.7
70.75657	6.6
71.04984	8.4
79.05497	16.7
79.47143	2.0
81.03407	2.6
81.06571	4.6
81.07052	94.1
83.04975	12.7
83.08624	10.6
85.02915	3.4
85.06541	7.7
85.60302	2.1
87.57906	2.2
91.05461	31.2
93.07031	19.6
95.04955	6.7
95.08613	22.6
97.02908	2.1
97.06532	8.5
98.97578	7.9
99.00806	3.8
99.04420	3.4
99.08097	6.8
105.07018	41.4
106.83046	2.3
107.08588	20.2
109.02872	10.9
109.06533	6.2
109.10156	13.4
111.08090	2.2
113.06007	2.8
116.98637	6.0
117.06987	4.8
119.08582	35.7
121.06499	3.8
121.10129	32.0
123.08040	3.7
123.11699	42.0
123.87852	2.6
127.07539	4.5
127.11163	2.7
128.06226	4.2
129.06995	7.1
131.08548	11.5
133.10100	12.4
134.99646	2.5
135.11652	3.7
137.13229	2.9
142.07805	5.5
143.08563	8.4
145.06488	4.5
145.10094	12.2
147.11676	100.0
149.09537	2.8
149.13214	3.2
151.11034	2.3
153.06981	2.3
155.08556	5.6
157.10123	9.7
158.10930	6.8
158.99664	4.3
159.08086	4.7
159.11693	9.6
165.12755	52.7
168.09343	4.2
169.06384	2.5
169.12268	4.7
170.10938	3.3
171.08026	4.5
172.08829	5.0
173.05898	2.8
173.09598	19.2
173.13257	25.6
175.11209	7.9
175.14751	3.1
177.00754	3.5
183.11688	8.7
183.13768	2.8
185.09686	2.4
186.06772	3.1
186.10445	13.6
187.07526	3.2
187.11166	34.6
187.14708	2.5
193.12276	7.5
193.15878	3.6
196.08809	6.2
201.09085	5.2
201.12721	37.4
211.11198	9.7
211.16934	7.9
220.10457	2.6
229.04948	4.6
229.08626	7.0
229.12228	69.8
229.14366	22.7
229.16064	3.0
229.19472	11.0
230.12483	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59346	0.8
53.03928	2.5
54.70944	0.8
55.01868	7.3
55.05494	3.3
57.03433	8.8
59.04996	0.9
61.02913	2.6
65.03926	2.3
67.01859	1.1
67.05502	4.7
67.65314	0.8
68.99763	1.6
69.03426	100.0
69.07068	1.4
70.80370	2.9
71.01353	7.9
71.04989	2.9
71.63500	0.9
73.02905	3.0
79.05476	3.6
81.03407	10.4
81.07063	4.7
83.01342	1.5
83.04985	6.6
83.08569	1.3
85.02904	35.4
85.03428	1.8
85.06502	1.0
87.04459	3.7
91.05470	3.9
93.03393	3.0
93.07079	1.8
95.01327	12.1
95.04949	6.2
95.08605	5.3
97.02888	75.1
97.06516	1.4
99.04446	4.6
101.02343	2.3
105.07019	2.3
107.04961	4.8
107.08550	1.4
109.02869	7.3
109.06493	1.5
109.10146	3.2
111.04436	7.2
113.02345	3.4
114.09167	1.2
115.03919	14.0
119.08571	1.2
121.02843	2.2
121.10126	1.6
123.04425	7.1
125.02393	1.5
125.09648	1.5
127.03915	3.5
131.08586	0.9
133.10155	1.4
135.04428	3.4
135.11726	1.1
135.85266	0.8
137.02348	1.6
137.05969	3.0
139.03897	8.0
141.05550	0.9
141.06955	1.1
143.03375	2.4
143.08557	1.3
145.04927	1.6
145.10095	1.7
147.04401	1.9
147.11667	1.6
151.03886	5.6
155.08525	1.4
157.06425	1.0
157.10109	1.0
163.03908	2.4
165.05473	3.4
169.04979	3.0
169.06389	1.0
171.08171	1.0
175.14851	1.6
181.04961	4.0
181.15956	1.0
183.06497	2.8
183.08028	1.6
183.11591	1.4
185.04549	1.2
193.05005	1.5
193.15909	0.8
197.67239	1.0
199.06100	2.3
201.09161	1.1
201.12614	0.9
211.05951	7.0
211.16956	3.8
213.07240	1.0
229.04837	1.7
229.06734	10.8
229.08723	3.6
229.12233	2.5
229.15991	1.8
229.19615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0704
Annotation	Nortetillapyrone
Peak:m/z	Relative Intensity
50.59346	0.8
53.03928	2.5
54.70944	0.8
55.01868	7.3
55.05494	3.3
57.03433	8.8
59.04996	0.9
61.02913	2.6
65.03926	2.3
67.01859	1.1
67.05502	4.7
67.65314	0.8
68.99763	1.6
69.03426	100.0
69.07068	1.4
70.80370	2.9
71.01353	7.9
71.04989	2.9
71.63500	0.9
73.02905	3.0
79.05476	3.6
81.03407	10.4
81.07063	4.7
83.01342	1.5
83.04985	6.6
83.08569	1.3
85.02904	35.4
85.03428	1.8
85.06502	1.0
87.04459	3.7
91.05470	3.9
93.03393	3.0
93.07079	1.8
95.01327	12.1
95.04949	6.2
95.08605	5.3
97.02888	75.1
97.06516	1.4
99.04446	4.6
101.02343	2.3
105.07019	2.3
107.04961	4.8
107.08550	1.4
109.02869	7.3
109.06493	1.5
109.10146	3.2
111.04436	7.2
113.02345	3.4
114.09167	1.2
115.03919	14.0
119.08571	1.2
121.02843	2.2
121.10126	1.6
123.04425	7.1
125.02393	1.5
125.09648	1.5
127.03915	3.5
131.08586	0.9
133.10155	1.4
135.04428	3.4
135.11726	1.1
135.85266	0.8
137.02348	1.6
137.05969	3.0
139.03897	8.0
141.05550	0.9
141.06955	1.1
143.03375	2.4
143.08557	1.3
145.04927	1.6
145.10095	1.7
147.04401	1.9
147.11667	1.6
151.03886	5.6
155.08525	1.4
157.06425	1.0
157.10109	1.0
163.03908	2.4
165.05473	3.4
169.04979	3.0
169.06389	1.0
171.08171	1.0
175.14851	1.6
181.04961	4.0
181.15956	1.0
183.06497	2.8
183.08028	1.6
183.11591	1.4
185.04549	1.2
193.05005	1.5
193.15909	0.8
197.67239	1.0
199.06100	2.3
201.09161	1.1
201.12614	0.9
211.05951	7.0
211.16956	3.8
213.07240	1.0
229.04837	1.7
229.06734	10.8
229.08723	3.6
229.12233	2.5
229.15991	1.8
229.19615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	1.6
55.01866	7.3
55.05264	1.3
55.05505	16.0
55.07059	1.5
57.03430	13.2
57.07069	7.4
59.04972	6.0
60.07768	1.7
61.02901	2.2
67.05497	18.7
69.03400	5.0
69.07060	24.8
70.06573	3.8
71.04658	2.5
71.04992	31.0
71.36403	2.6
75.04479	12.3
79.05486	15.2
81.07056	35.2
83.04989	9.0
83.08611	9.1
85.06148	1.5
85.06536	16.4
86.85131	1.6
87.04452	10.0
91.05487	11.4
93.06458	2.4
93.07034	37.3
95.04963	79.4
95.08598	33.2
97.06525	28.4
97.10144	4.9
99.04449	28.4
99.08092	16.0
100.11251	12.4
105.07014	24.3
107.04939	2.5
107.08586	46.9
109.06518	16.2
109.10146	28.1
111.08083	9.1
111.11683	1.6
112.08713	1.7
113.05991	8.5
113.09657	3.0
115.07539	4.6
116.98634	1.9
117.07030	2.1
117.13898	1.8
119.08562	14.5
121.06457	5.5
121.10129	36.6
123.08073	10.2
123.11690	32.4
125.05955	1.8
125.09631	11.3
127.07571	7.1
128.07005	1.9
131.08551	12.7
133.10124	40.0
135.08028	7.4
135.10843	1.5
135.11696	18.4
137.09616	13.1
139.07533	3.5
139.11142	15.4
141.09093	1.9
141.11493	3.2
141.12738	2.6
143.10643	3.0
145.10114	7.4
147.11688	14.7
149.09584	5.0
149.13252	23.2
151.07536	3.4
151.11168	12.2
153.09108	25.0
153.12729	17.4
158.10873	4.0
161.13181	5.2
163.11163	9.1
163.12344	1.4
163.14804	12.4
163.64328	3.4
165.12709	5.4
167.07053	10.4
167.08330	2.4
167.10623	2.7
167.14236	2.9
169.07242	2.1
169.08583	22.2
169.12154	1.5
171.10161	14.8
173.13255	30.2
177.05455	2.6
181.04930	2.5
181.12207	2.2
183.13759	3.9
185.18484	1.4
191.10606	4.1
191.14294	31.7
199.17917	1.4
209.07994	1.5
209.11844	2.8
209.15340	37.2
213.17735	6.5
220.40189	1.5
227.06938	2.1
227.10623	3.7
227.16364	100.0
228.25822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.9
55.05507	20.8
56.94574	1.7
57.03445	12.6
57.07081	8.6
59.04979	7.8
64.61167	1.6
66.79102	1.7
67.05501	16.2
69.03400	5.4
69.07061	26.4
69.32251	3.5
69.32651	16.7
71.04987	37.0
75.04482	8.9
79.05481	15.2
81.07049	33.1
83.04990	12.3
83.08602	13.3
85.06139	1.7
85.06546	18.3
87.04454	10.1
91.05463	11.3
93.07034	36.5
93.57057	1.5
95.04959	61.7
95.08598	34.3
97.06521	23.9
97.10139	5.6
98.20719	3.9
99.04443	35.4
99.08084	14.9
100.09433	2.5
100.11238	24.3
101.05969	2.1
105.07034	24.8
105.99619	1.7
107.08593	49.5
108.28088	1.6
109.06505	18.1
109.10149	32.5
110.05973	3.0
111.04436	2.9
111.08072	11.6
113.05969	6.2
113.09583	3.9
114.09110	2.0
115.07531	7.1
117.06980	3.2
119.08572	16.0
121.06461	5.6
121.09332	2.6
121.10133	38.8
123.08062	15.4
123.10928	2.3
123.11703	29.1
125.09618	12.7
127.07537	4.0
131.08582	12.2
132.30319	1.8
133.10121	42.2
135.08008	8.4
135.11688	17.6
137.09657	12.4
137.13196	2.7
139.07475	2.8
139.11172	14.4
141.09016	2.3
141.11432	6.3
141.12663	2.1
143.08498	3.1
143.10655	3.4
145.10139	10.4
147.11676	13.6
149.05992	2.7
149.09546	5.7
149.13257	23.1
151.07503	5.0
151.11185	12.4
153.09114	19.2
153.12752	13.4
158.10864	2.5
161.13213	5.3
163.06970	1.8
163.11208	9.9
163.14796	13.0
163.64388	1.9
165.12698	6.1
167.07088	17.6
167.08478	2.8
167.10632	4.9
167.14240	2.5
169.08589	29.7
169.12180	2.0
171.10173	15.5
171.11455	2.6
173.13234	25.9
177.05388	4.0
179.14304	4.8
181.12128	3.2
182.15356	5.1
183.13763	4.3
191.10576	3.2
191.14308	28.9
195.08022	5.0
199.18062	3.6
203.04201	2.2
209.08067	4.1
209.11644	1.8
209.15302	30.9
213.17790	8.3
227.10495	8.6
227.12662	8.0
227.16354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01875	5.1
55.05512	23.2
56.96557	2.9
57.03417	5.1
57.07066	6.7
61.02917	2.5
63.76005	2.1
67.05510	12.8
69.03419	12.9
69.07069	18.1
70.54623	7.6
70.97139	2.1
71.04986	9.4
73.02921	3.3
79.05489	18.2
81.07052	23.3
83.01317	8.5
83.04980	18.0
83.08624	7.4
83.94419	2.3
85.02905	4.3
85.06557	9.4
89.44556	2.3
91.05475	12.9
93.07041	33.4
95.04949	17.4
95.08604	22.7
97.06529	14.8
97.10160	4.7
98.97608	3.6
99.04464	11.2
99.08092	45.8
100.11256	11.0
101.06010	9.2
103.05498	3.2
105.07021	22.5
107.04967	6.1
107.08594	53.1
108.19771	1.8
109.06520	13.9
109.10143	26.5
109.83593	2.0
111.08069	9.0
113.09633	2.2
115.03960	2.4
119.01936	4.0
119.08587	11.3
121.06528	8.2
121.10136	65.2
123.04346	2.2
123.08064	11.3
123.11711	9.8
125.06023	3.8
125.09626	23.2
127.07531	3.2
129.06982	2.7
131.01855	2.0
131.08553	8.9
133.10126	40.8
135.08038	17.1
135.11707	11.8
137.09596	13.6
137.13243	3.4
139.07545	9.8
139.11168	9.9
140.04730	3.7
141.09090	2.1
143.01915	6.7
145.10109	4.0
147.11705	5.4
149.06021	4.4
149.09619	60.2
149.13237	20.0
150.40065	2.1
151.11156	19.4
153.09084	13.2
155.07014	4.1
158.10883	4.8
158.25954	2.4
161.02974	12.7
162.03078	3.3
163.11212	2.8
163.14824	17.3
165.12791	3.0
167.07056	21.8
167.10594	2.9
171.10133	4.0
173.13260	21.6
177.05450	7.5
181.04968	3.6
181.15862	7.3
191.14297	42.7
195.06544	3.2
197.09332	3.1
206.09743	2.9
209.07982	10.3
209.15346	100.0
215.10184	5.9
227.16208	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01857	9.3
55.05507	33.1
56.96561	3.9
57.03423	7.8
57.07059	14.3
61.84371	3.2
65.03922	4.2
67.05491	31.0
69.03423	39.7
69.07059	45.0
69.98129	18.5
71.04983	55.9
73.02910	6.0
79.05481	34.3
81.03404	15.8
81.07054	61.5
83.04976	25.2
83.08611	21.1
85.02895	4.1
85.06536	20.4
86.09695	3.3
91.05461	22.8
93.07045	49.9
95.04961	60.2
95.08592	49.8
97.06535	18.8
97.10177	18.3
98.97557	3.5
99.04453	71.2
99.08086	14.2
100.11250	28.6
103.05470	5.5
105.07024	34.1
107.04961	7.3
107.08586	100.0
109.06504	27.0
109.10151	45.7
109.75656	3.4
111.04471	4.2
111.08103	22.0
113.09645	5.7
115.03919	9.5
115.07557	8.5
117.07006	8.4
119.01923	7.7
119.08531	16.1
121.02843	7.9
121.06510	19.7
121.10137	44.3
123.08058	19.1
123.11700	17.2
125.05990	5.2
125.09635	34.9
127.07542	4.8
129.05409	5.5
129.09190	4.3
131.08524	14.1
133.10139	35.9
135.08047	29.0
135.11696	19.7
137.09593	12.1
139.07558	4.4
139.11160	13.6
140.04581	3.4
143.01875	6.7
143.07056	4.5
143.10663	4.4
145.10115	12.4
145.12292	3.4
147.11676	13.7
149.04813	4.1
149.05968	9.3
149.09621	20.2
149.13248	18.4
151.11174	22.2
153.09129	24.0
155.06981	3.6
161.02985	9.4
163.11154	6.3
163.14822	25.4
165.12718	12.2
167.07005	68.1
167.10721	8.2
167.14348	4.8
169.08540	3.8
169.12173	7.1
173.13248	37.6
177.05455	13.4
179.14285	4.2
181.04950	4.4
182.02689	9.1
183.13808	11.4
185.80983	3.2
191.14284	40.0
195.06635	4.1
209.08046	11.9
209.09979	4.4
209.15283	44.9
227.08899	4.8
227.12727	4.7
227.16231	48.1
227.19763	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05495	4.4
57.03423	4.2
57.07061	4.4
58.59183	1.5
59.04998	3.1
67.05482	5.1
69.03414	3.8
69.07064	7.5
69.36007	14.5
71.04986	24.8
73.06532	1.8
75.04427	1.9
79.05475	5.8
81.07046	14.8
83.04966	4.6
83.08604	4.6
85.06532	10.0
91.05451	5.7
93.07028	18.7
93.80013	1.3
95.04961	100.0
95.08600	15.8
97.06521	21.4
97.10134	4.7
98.21500	2.6
99.04445	21.1
99.08086	30.7
100.11236	3.3
105.07022	8.6
107.08579	22.1
109.06502	19.3
109.10155	8.1
111.08070	7.2
113.09637	2.7
115.07555	6.1
119.01889	1.6
119.08567	8.8
121.09309	1.9
121.10130	24.2
123.08033	4.8
123.11692	6.1
125.09647	10.3
127.07529	16.2
131.08519	8.1
133.10112	33.0
135.08034	6.6
135.11693	7.6
137.09584	4.5
139.11166	12.1
140.04654	1.3
143.01894	3.3
143.10646	6.5
145.10115	2.4
147.11629	8.6
149.09589	3.5
149.13245	9.2
151.11163	4.5
153.09091	36.3
155.06934	1.6
158.10898	2.3
161.02937	6.4
163.14761	5.6
165.12724	1.8
167.06953	6.2
167.14223	1.6
171.10159	18.8
173.13240	19.8
181.04889	1.7
185.06313	1.2
189.47023	1.4
191.14290	14.2
192.66306	1.5
209.15343	24.8
227.16382	73.5
228.16649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	2.7
55.05505	20.5
57.03410	5.8
57.07062	5.7
59.04986	4.7
61.02919	2.5
67.05483	8.1
69.03417	8.4
69.07058	15.4
69.57485	9.6
69.57914	7.0
71.04966	8.7
73.02905	6.9
79.05490	10.9
81.07053	22.0
83.01347	9.7
83.04980	14.9
83.08608	12.4
85.06541	9.0
91.05471	10.9
93.07039	23.8
95.04959	8.5
95.08598	15.1
97.02863	3.0
97.06535	12.3
97.10154	3.2
98.97581	5.4
99.04453	15.6
99.07476	3.3
99.08089	45.0
100.11239	6.9
101.06001	8.5
103.05477	2.6
105.07016	24.0
107.04887	3.4
107.08591	44.9
109.06517	14.3
109.10147	15.2
111.08084	10.0
116.98635	2.0
119.01893	2.5
119.08588	8.1
121.06491	8.1
121.10126	57.1
123.04427	2.9
123.08059	9.3
123.11671	8.3
123.39813	2.6
125.05968	3.0
125.09632	20.7
127.07577	2.7
129.06935	3.1
131.08549	7.7
133.10123	35.8
135.08075	12.3
135.11716	11.7
137.06001	2.1
137.09579	11.0
137.13240	2.4
139.07518	11.4
139.11176	11.0
145.10112	4.9
145.72542	2.0
147.11685	4.1
148.05188	3.2
149.05968	3.7
149.09610	61.2
149.13235	16.1
151.11177	21.9
153.09129	11.9
155.10675	2.2
158.10968	3.2
163.14816	16.2
165.12741	3.3
167.07040	22.5
167.10658	4.1
171.04933	8.2
173.13245	17.9
177.00653	3.2
177.05464	7.1
181.15842	10.1
191.14310	39.8
195.06512	2.2
209.08052	7.1
209.15343	100.0
219.01796	2.0
227.09088	3.1
227.16351	7.5
228.06357	2.3
237.32619	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.66391	1.3
51.86697	1.4
52.66092	1.3
55.01868	2.6
55.05505	12.7
57.03431	6.0
57.07064	5.0
59.05008	2.3
65.03947	1.6
67.05502	11.7
69.03426	18.9
69.07069	9.7
69.67263	9.3
71.04983	14.2
74.48170	1.3
75.04475	3.4
79.05499	10.5
81.03412	6.7
81.07043	16.7
83.04981	5.9
83.08620	4.6
85.02907	1.9
85.06542	12.5
91.05483	10.2
93.07041	21.8
95.04962	100.0
95.08605	13.6
96.43974	1.3
97.02969	1.5
97.06527	16.0
97.10181	7.1
97.37300	1.4
99.04446	13.7
99.08085	15.4
100.11253	10.0
103.05478	3.0
104.24473	1.6
105.07011	8.2
107.04967	5.3
107.08588	24.1
109.06526	16.5
109.10136	10.0
111.04423	3.2
111.08082	3.9
113.06011	1.5
113.09672	1.4
115.03942	8.1
115.07569	5.1
117.07008	2.3
119.08582	9.9
121.06468	7.8
121.10126	18.1
123.04430	4.9
123.08106	3.7
123.11720	5.9
124.05235	1.4
125.05994	3.5
125.09618	8.3
127.07549	5.8
129.05495	3.6
131.04890	2.1
131.08540	8.4
133.10120	27.7
135.08054	6.1
135.11700	5.7
137.05946	4.5
137.13300	1.5
139.11185	6.0
140.04735	1.8
143.07063	1.8
143.10678	5.9
145.10138	5.8
147.11682	5.8
149.05998	6.6
149.09615	5.0
149.13239	6.4
151.11209	5.0
153.09088	36.1
158.10910	1.9
159.04483	1.9
163.11172	2.1
163.14833	10.0
165.12776	2.6
167.07027	93.0
168.07422	2.2
171.10168	13.1
173.13264	15.4
177.05457	11.8
181.05013	3.4
181.08717	2.2
191.10663	5.0
191.14301	15.6
195.06490	1.5
197.15384	2.5
199.07536	1.4
204.91788	1.5
209.08145	7.8
209.11772	2.9
209.15321	25.6
227.07080	3.8
227.12854	2.8
227.16327	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03941	3.1
55.05507	19.9
57.03433	5.1
57.07066	15.6
61.02918	8.9
67.05493	18.4
69.03417	56.1
69.07047	17.4
70.72247	5.4
70.72620	5.0
71.04977	11.8
75.27003	2.5
79.05485	14.4
81.03403	18.6
81.07047	32.4
81.99915	2.5
83.04955	13.0
83.08627	14.7
85.06533	31.4
86.09715	2.7
91.05473	11.2
93.07029	34.5
95.04951	23.6
95.08614	25.1
97.02869	3.2
97.06505	8.9
97.10158	8.0
99.04446	7.0
99.08088	4.0
100.11245	14.8
105.07024	24.8
107.08578	50.9
109.06493	14.2
109.10134	15.0
111.04438	4.2
111.08057	9.4
113.09638	3.9
115.03928	33.4
117.07022	2.4
118.52213	3.1
119.08543	15.9
121.06470	4.5
121.10128	38.2
123.08073	14.1
123.11681	9.7
125.05920	2.9
125.09631	5.7
129.05467	10.1
131.08551	18.6
133.10114	57.3
135.08043	7.2
135.11649	14.2
137.09595	6.0
137.13277	5.4
139.07576	4.6
139.11163	5.7
143.07056	7.0
143.08524	2.8
145.10103	9.9
147.11671	18.6
149.09549	3.2
149.13220	24.8
151.11174	6.7
153.09105	16.6
158.10899	6.2
161.13228	14.5
163.14789	32.7
165.12744	3.1
167.07042	18.4
167.10678	2.9
171.10107	4.6
173.13257	48.2
177.05530	5.8
191.14285	56.6
197.15353	2.9
209.08224	2.9
209.15323	100.0
227.06972	5.0
227.16299	30.9
241.39272	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.75814	0.9
53.03938	1.2
55.01871	1.7
55.05503	7.4
55.65309	0.9
56.96563	0.9
57.03422	2.3
57.07063	4.2
59.04991	2.5
67.05505	5.4
69.03422	3.2
69.07062	16.3
70.89413	2.2
70.89734	1.3
71.04983	4.0
79.05486	11.0
81.06572	1.5
81.07050	29.7
83.04964	2.8
83.08630	2.7
84.02204	1.0
85.02889	1.6
85.06538	2.1
87.04451	14.1
91.05471	7.5
93.07040	37.5
95.04984	4.8
95.08594	13.7
95.25014	0.9
97.02859	1.5
97.06546	5.2
97.10162	2.0
98.73304	1.0
99.04435	2.0
99.08005	1.1
100.11242	4.9
103.05492	1.6
105.03391	3.0
105.07018	13.8
107.04948	2.9
107.08587	16.1
109.06516	3.5
109.10147	4.5
111.04452	1.0
111.08061	2.2
111.11722	3.2
119.01899	3.3
119.08581	5.8
121.06482	2.0
121.10135	66.8
122.10431	1.2
123.08057	7.3
123.11701	54.9
125.09654	2.4
131.08600	2.2
133.10144	4.5
135.08073	3.0
135.11682	2.4
137.05959	2.5
137.09621	4.2
139.11183	4.6
143.01900	3.4
145.10124	3.1
147.11658	8.8
149.05997	1.3
149.09616	29.7
149.13255	4.3
151.11169	30.6
151.12331	1.8
153.09061	1.8
161.02919	6.3
162.03212	1.6
163.02661	1.4
163.07565	1.4
165.12740	6.6
167.07034	9.2
167.10664	100.0
173.13283	4.5
177.05441	2.8
181.08589	1.2
181.10042	1.0
184.05023	0.9
191.10631	1.0
191.14299	5.4
192.14735	1.0
205.76570	0.9
206.09669	2.2
209.08017	2.2
209.15233	6.0
212.04688	1.6
222.02994	1.2
226.05484	1.1
227.06992	2.5
227.10811	1.3
227.16243	8.0
242.59819	0.9
244.74464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.98091	1.1
53.03943	1.6
55.01617	2.3
55.01866	26.0
55.02111	2.2
55.05505	8.1
55.61918	1.4
56.96577	2.0
57.03434	2.2
57.07074	6.8
57.34254	1.1
61.03895	1.4
63.52494	1.0
65.03940	2.0
66.66322	1.1
67.05498	15.3
69.03432	3.9
69.07066	20.9
70.65161	4.6
71.04978	6.0
71.08623	1.8
71.13326	1.0
73.02880	1.1
79.05492	14.3
81.07054	14.0
83.04967	3.1
83.08607	4.3
85.06540	25.6
91.05477	9.7
93.07038	27.5
95.04970	8.4
95.08600	23.2
97.06526	22.5
97.10158	2.8
98.20660	1.3
99.04422	6.7
100.11247	10.2
101.06041	1.4
103.05477	3.3
105.07028	16.3
107.04930	4.8
107.07864	2.4
107.08594	45.8
109.06507	10.4
109.10159	6.0
111.04402	2.3
111.08070	3.7
113.06010	8.9
115.05449	1.8
116.98537	1.5
117.07027	1.7
119.08583	6.4
121.06501	16.0
121.10137	17.2
123.04417	4.5
123.08047	14.1
123.11707	1.8
125.05992	2.9
125.09627	2.2
127.07526	1.3
128.06195	2.0
131.04924	3.4
131.07048	1.6
131.08553	4.8
133.10112	2.0
135.08043	4.9
135.11710	8.6
137.05980	6.3
138.05504	1.2
139.07594	1.4
139.11188	3.5
140.04706	1.6
143.08600	4.1
145.10117	12.7
149.05980	7.5
149.09613	8.5
151.07513	11.7
153.05507	1.2
153.06934	1.2
153.09093	2.7
157.10075	1.8
159.04419	2.1
163.03880	1.4
163.11185	29.5
165.05557	1.8
166.07819	1.4
167.07033	52.7
167.10660	12.2
169.08598	100.0
171.11694	2.9
173.09589	3.2
177.05475	16.5
181.04964	1.9
181.10112	1.9
181.12251	12.8
185.09613	1.7
185.11783	2.8
185.13289	2.2
191.07153	1.3
191.10664	17.8
191.14276	3.4
191.17932	1.7
199.07593	2.2
209.08125	7.0
209.09732	2.8
209.11584	12.8
209.13354	1.2
209.15308	3.3
227.07249	5.7
227.10565	8.0
227.12773	11.2
227.14569	2.2
227.17976	7.5
227.19958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.0
54.77785	0.9
55.01851	3.1
55.05510	6.4
56.96558	1.0
57.03418	2.9
57.07071	6.5
59.04976	1.6
60.12634	0.9
65.03931	1.1
65.05772	0.9
67.05497	27.1
69.03429	8.2
69.07068	8.6
69.36690	0.9
69.63430	3.4
69.63860	3.7
71.04988	20.7
72.66895	0.9
73.02902	0.9
76.74789	0.8
78.04682	1.0
79.05484	28.3
81.03408	1.4
81.07054	15.7
83.04986	7.4
83.08598	2.7
85.02869	1.1
85.06539	100.0
86.06856	0.9
91.04897	0.9
91.05470	22.3
93.07037	33.8
95.04967	21.2
95.08598	6.9
97.06524	5.5
97.10143	1.2
98.21445	1.7
98.97582	3.5
99.04430	3.2
99.08087	8.0
100.11270	7.5
103.05466	3.2
105.07021	19.1
107.04949	12.3
107.08589	35.6
109.02837	0.8
109.06518	13.0
109.10175	5.7
110.34348	1.0
111.04430	10.5
111.08107	1.1
113.05960	1.5
115.03957	1.3
115.05441	1.2
116.98583	2.7
117.07006	5.4
118.00831	0.9
119.01911	1.1
119.04965	1.1
119.07774	1.7
119.08574	20.6
121.05654	1.1
121.06500	15.8
121.10137	28.2
123.04403	4.0
123.08051	4.2
123.11713	6.6
124.05194	1.0
125.05980	8.3
125.09624	2.7
127.03837	1.4
127.07514	1.9
129.07024	5.8
130.07756	1.1
131.04919	1.5
131.08560	65.7
133.10130	12.8
134.99582	1.4
135.08052	4.9
135.11667	7.4
137.05957	5.9
137.09604	7.9
139.07527	2.0
139.11177	1.8
140.04663	0.9
141.05476	1.5
143.01865	2.2
143.07019	1.7
143.08484	1.5
145.06523	1.2
145.10115	31.4
147.04364	1.1
147.08011	5.3
147.11685	3.0
149.06007	8.0
149.09607	60.8
149.13255	2.1
151.11174	35.8
153.05455	3.5
153.09077	3.9
155.06993	4.1
155.08350	1.3
158.99599	0.9
159.04385	1.5
161.02950	3.0
163.07545	3.3
163.11168	27.4
163.14838	2.4
165.09129	12.0
167.07031	39.3
167.10670	35.5
169.12234	10.4
171.10127	1.4
173.09586	8.1
173.13264	4.1
175.14822	1.2
177.00691	1.9
177.05522	8.5
179.10764	2.2
181.08626	1.2
191.10664	60.1
191.14287	5.7
197.11752	2.5
206.08748	2.3
209.08046	3.5
209.11713	62.4
209.15269	5.2
227.07047	1.8
227.10503	1.6
227.12752	32.9
227.16040	7.5
239.62596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03935	0.4
53.22267	0.2
55.01861	0.5
55.05519	1.3
57.03423	0.6
57.07059	0.7
59.04994	0.2
65.03925	0.3
65.67034	0.2
67.05499	1.1
69.03427	2.3
69.07060	1.2
70.92413	0.3
70.92735	0.2
71.04995	1.2
71.07344	0.2
73.02902	0.5
78.04728	0.8
78.05083	0.1
79.05061	0.2
79.05491	2.6
81.03434	0.8
81.07059	1.9
83.04969	0.7
83.08616	0.7
85.02884	0.4
85.06529	0.8
91.05472	1.9
93.03366	0.2
93.07044	2.2
94.69273	0.2
95.04968	5.3
95.08606	1.3
96.05733	0.2
97.02892	0.3
97.06528	1.2
97.10159	0.7
98.97598	0.2
99.04481	0.7
99.08073	0.9
100.11263	1.0
103.05460	0.6
105.07035	0.9
105.38927	0.2
106.04141	1.0
107.04955	5.2
107.08591	2.1
109.06509	1.2
109.10139	1.0
111.04434	0.5
111.08048	0.4
115.03922	1.1
116.98657	0.2
117.06998	0.2
119.04954	0.4
119.08559	0.6
121.06491	3.0
121.10123	1.6
122.03656	0.2
122.36653	0.2
123.03554	0.2
123.04431	3.4
123.08051	0.5
123.11725	0.6
124.05216	2.0
125.05966	0.6
125.09615	0.6
127.07544	0.2
129.05481	0.6
131.01909	0.2
131.04936	0.3
131.08591	0.8
133.06415	0.2
133.10133	1.6
134.03633	0.6
134.43443	0.2
135.04433	0.5
135.08067	0.5
135.11667	0.5
137.05984	0.5
139.07558	0.3
139.11165	0.5
140.04706	0.3
143.10646	0.2
145.10139	0.4
147.04497	0.2
147.11720	0.4
149.05975	4.3
149.09616	0.6
149.13298	0.4
151.03918	0.9
151.04959	0.2
151.11176	0.4
152.04697	1.5
153.05441	0.5
153.09103	1.9
155.07008	0.3
155.65729	0.2
158.10956	0.2
161.05988	0.2
163.11179	0.3
163.14824	1.1
167.07033	100.0
168.04068	0.2
168.07390	1.7
171.10185	0.7
171.11514	0.2
173.13252	1.2
176.04941	0.3
177.05478	5.3
177.07024	0.3
179.14355	0.3
181.04955	0.6
181.08646	1.6
185.05527	0.3
191.10608	0.5
191.14317	1.1
195.06522	0.6
197.15384	0.4
206.06026	0.2
209.08086	4.4
209.11678	0.3
209.15292	2.0
227.07048	0.4
227.09044	0.5
227.16295	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Genipin
Peak:m/z	Relative Intensity
51.26313	1.5
53.03918	1.6
53.64351	1.1
55.01879	7.9
55.05505	11.5
56.96562	8.0
57.03437	8.2
57.07066	4.8
59.04978	1.7
61.02908	2.0
61.33786	1.2
65.03931	7.0
67.05210	1.3
67.05501	14.5
69.03426	10.7
69.07059	14.9
71.04991	7.7
71.08617	1.4
71.52422	1.6
71.52758	1.9
72.93772	1.6
73.02911	42.1
75.04451	1.4
78.04694	1.6
79.05486	11.2
81.03401	5.2
81.07058	16.5
82.04179	1.4
83.01294	1.2
83.04972	7.0
83.08603	7.5
85.02898	9.5
85.06535	14.4
86.09689	3.1
91.03919	1.5
91.05479	14.5
93.07036	20.2
94.99157	1.1
95.04351	2.5
95.04964	49.3
95.08609	12.0
97.02879	5.8
97.06524	12.4
97.10149	5.0
98.97579	6.9
99.04435	6.6
99.08080	4.1
100.11268	1.9
103.05463	3.8
105.07012	13.4
106.04156	2.2
107.04929	5.5
107.08583	19.1
109.02827	1.6
109.06511	9.3
109.10143	10.9
110.03616	3.3
110.07102	1.7
111.04425	5.6
111.08057	5.8
111.11720	2.1
115.03902	1.5
115.07560	2.6
116.98593	5.8
117.06999	5.3
119.04916	2.4
119.08579	18.7
121.06496	10.0
121.10130	14.8
123.04433	10.5
123.08063	5.3
123.11668	3.6
124.05178	1.4
124.07602	1.8
125.02361	1.7
125.05962	3.8
125.09614	5.5
127.03904	3.1
127.07532	3.0
128.98589	2.7
129.06908	2.1
131.08542	10.7
133.02789	1.2
133.06490	2.1
133.10129	19.7
134.99646	5.4
135.04379	2.5
135.08051	8.9
135.11694	4.3
137.05954	5.2
137.09578	2.9
138.03113	2.1
138.09125	2.2
139.03883	2.9
139.07550	1.9
139.11153	2.7
140.04671	50.4
142.02618	1.7
143.08521	3.0
145.06483	2.1
145.10095	3.4
146.99638	4.0
147.04372	1.8
147.08038	4.5
147.11670	4.2
148.05116	1.7
149.05986	6.6
149.09593	7.1
149.13225	5.1
151.03915	1.3
151.11137	4.5
153.05441	3.3
153.06755	1.1
153.09081	11.7
155.07027	70.4
158.03900	1.4
158.99625	3.0
161.01160	1.7
161.13235	2.5
163.07516	7.2
163.11143	3.8
163.14812	3.7
165.09045	1.9
165.12683	1.6
166.06271	2.6
166.08649	3.8
167.03360	1.4
167.07031	43.5
167.10683	3.1
171.06506	9.6
171.07878	1.9
171.10158	2.2
173.08015	6.5
173.13290	11.0
177.00702	5.4
177.05544	8.8
179.06956	3.1
181.04948	100.0
181.08524	5.8
184.05211	4.8
187.99841	1.2
188.54893	1.6
189.00717	1.5
191.07004	3.7
191.10606	6.2
191.14305	10.6
199.07626	2.2
207.05826	9.3
209.04684	1.3
209.08124	27.7
209.11740	5.7
209.15337	16.6
212.04694	5.3
216.06493	24.6
218.56686	1.7
227.06989	16.9
227.09145	26.5
227.16261	12.9
227.19989	1.8
227.23689	1.9
227.57283	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03943	7.5
55.05507	41.1
57.03434	9.7
57.07062	6.6
59.04978	6.1
61.02905	4.8
65.03928	6.2
67.05504	31.3
69.03073	6.6
69.03426	100.0
69.07066	19.1
70.52258	8.0
70.52628	13.4
71.04964	17.5
78.66588	3.3
79.05497	28.1
81.03404	11.9
81.07050	58.1
83.04974	38.9
83.08591	11.9
85.02888	14.8
85.06546	5.3
91.05480	37.3
93.07046	47.3
95.04959	30.0
95.08608	40.6
97.02870	7.9
97.06528	13.5
97.10246	3.4
99.04416	11.1
99.08134	4.1
103.05427	4.4
105.03351	5.3
105.04550	4.7
105.07030	62.2
107.04948	8.5
107.08611	26.1
109.06509	40.4
109.10149	21.4
111.04405	6.4
111.08059	10.9
119.04922	12.1
119.08574	50.2
121.06501	12.3
121.10124	38.9
122.07293	7.9
123.04429	21.4
123.08057	27.9
123.11687	19.0
125.06029	4.6
125.09635	8.5
131.08556	6.1
133.06491	25.7
133.10120	75.3
135.08041	7.3
135.11713	9.6
137.05981	13.3
137.09599	56.4
137.13184	6.6
139.11195	31.7
141.06914	4.5
145.10081	11.1
147.04341	8.8
147.08058	15.3
147.11682	40.8
149.09572	22.7
151.07544	19.7
151.11179	35.8
152.11537	4.2
156.09352	13.0
158.52878	3.6
159.11639	6.8
161.09550	6.4
161.13243	28.2
163.11174	13.1
165.05412	5.8
165.09154	4.4
165.12737	9.8
167.10612	4.7
167.14287	10.7
171.11682	12.5
174.10381	14.8
175.03903	14.9
179.07005	17.9
179.14235	4.8
180.04240	4.2
183.06541	5.4
183.13837	5.3
189.12721	42.3
207.06531	20.0
207.13806	59.0
225.07451	6.3
225.11217	4.6
225.14796	39.1
240.99757	3.6
246.98849	4.4
248.99368	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.30598	0.4
53.03942	1.0
55.01858	1.2
55.05510	5.2
56.04976	0.3
56.96555	2.9
57.03421	1.8
57.07064	0.9
59.04991	1.3
60.16263	0.4
61.02904	0.6
65.03925	0.7
67.05501	2.3
69.03420	3.0
69.07064	4.4
70.06579	1.8
71.04980	0.9
71.08630	0.8
71.60645	0.7
72.08160	0.6
72.93775	0.4
73.02915	2.9
78.04688	2.2
79.05485	4.3
81.03394	1.8
81.07035	2.8
83.04978	1.9
83.06066	0.6
83.08615	2.8
83.89719	0.4
84.04480	1.6
84.08118	1.2
84.42462	0.4
85.02908	2.4
85.06528	1.3
86.06069	0.4
87.04444	0.4
87.53526	0.4
89.03910	0.7
91.05470	6.5
93.07025	5.5
94.02885	0.5
94.04160	0.6
94.06538	0.5
95.04964	5.1
95.08623	2.1
96.08150	0.6
97.02885	3.3
97.06508	1.4
97.10146	1.6
98.06072	0.4
98.97566	2.0
99.04472	1.0
99.08092	0.7
100.11249	0.8
103.05448	5.8
105.03374	0.8
105.04523	0.4
105.07035	1.2
106.04161	1.3
107.04952	4.8
107.08586	2.1
109.02857	1.3
109.06518	2.0
109.10118	0.9
110.03526	1.5
110.06056	0.7
111.04414	1.0
111.08088	0.9
111.11712	0.7
114.09068	0.4
116.07092	1.3
116.98595	1.6
117.03355	1.1
117.07008	0.8
119.01896	2.9
119.04946	0.8
119.08547	0.6
120.05642	0.9
121.02828	0.5
121.05639	0.8
121.06501	13.7
121.10130	1.6
122.03646	0.9
123.04419	7.3
124.05170	3.4
125.02294	0.6
125.05977	1.2
125.09640	1.0
127.03911	0.8
128.04477	0.7
128.98502	0.7
130.07669	0.4
131.00224	0.5
131.01903	1.0
131.04913	5.6
131.08598	0.8
133.02736	0.7
133.10121	1.0
134.03629	1.6
134.99615	2.4
135.04402	1.6
135.08078	0.8
135.11725	1.0
136.07483	0.4
137.05969	9.4
139.07513	0.8
140.04640	4.0
140.07053	1.1
145.02655	0.9
145.10022	0.5
146.03642	0.7
146.99655	1.1
147.03218	0.7
147.04355	1.2
147.11682	0.5
148.05190	1.9
149.01175	0.5
149.05969	13.8
149.09680	0.8
149.13226	0.7
151.02800	0.5
151.03914	1.7
151.11177	0.6
152.03560	0.7
152.04617	2.0
152.07043	1.0
153.04083	12.4
153.05437	1.6
153.09026	0.9
154.02470	3.6
155.04649	1.5
155.07010	2.4
156.03333	0.7
157.03555	0.5
158.99643	1.0
159.04410	4.0
159.86436	0.4
161.01270	0.8
161.02927	1.4
161.04593	0.6
162.03033	0.5
162.99159	0.6
163.03853	1.0
163.07567	0.9
163.11203	0.4
163.14810	0.5
164.05159	1.4
165.04251	0.8
165.05486	0.9
166.09929	0.4
167.07027	100.0
168.07574	2.5
170.05127	1.2
171.08119	0.5
173.02977	0.7
173.13263	1.0
174.03105	0.5
174.04453	2.3
175.04376	0.5
176.04669	1.1
177.00685	1.2
177.04279	1.2
177.05464	28.8
178.06166	0.6
180.07820	0.6
181.04948	1.6
181.06549	0.3
181.08502	1.0
181.09883	0.7
183.06487	1.3
183.11371	0.8
184.05182	0.5
186.04373	3.0
191.07043	1.5
191.10608	0.7
191.14288	1.1
192.05363	0.5
194.05711	1.1
195.05116	4.4
195.06656	0.6
197.08090	0.7
198.04755	0.6
199.07545	0.4
203.04073	0.5
204.05486	2.9
209.06062	0.8
209.07997	9.0
209.15372	1.7
212.04683	0.8
221.05121	0.8
222.05272	1.5
223.04822	0.4
227.03961	0.4
227.04745	0.7
227.07314	7.2
227.10623	0.7
227.14198	2.0
227.16243	1.0
227.19853	0.8
227.56902	0.4
228.08551	0.6
237.02779	1.3
244.04272	1.1
245.06946	0.9
246.06476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03929	3.6
55.01859	7.3
55.05505	19.3
57.03428	13.7
57.07062	6.5
58.85152	1.8
59.04998	4.3
65.03928	3.1
67.05504	26.6
69.03423	16.9
69.07060	14.8
70.23090	9.5
71.04991	19.7
71.08624	2.3
79.05487	24.9
81.03416	26.4
81.07051	34.8
83.04980	31.4
83.08611	6.9
85.02900	46.9
85.06532	8.2
90.63416	2.0
91.05479	36.8
93.06478	2.8
93.07036	32.2
93.62322	2.5
93.63043	1.9
95.04958	25.0
95.08599	54.4
97.02890	2.0
97.06524	15.1
97.10158	2.2
99.04450	17.9
99.08083	8.0
103.05437	3.7
105.03401	3.3
105.07024	40.7
107.04956	16.1
107.08584	43.0
109.02867	7.7
109.06511	42.4
109.10153	35.6
111.04434	8.8
111.08066	9.3
113.06031	4.0
113.09641	5.7
116.38008	1.8
117.06992	6.6
119.04926	14.9
119.07787	4.2
119.08575	56.5
121.06486	13.1
121.10149	45.0
122.07306	3.4
123.04401	5.0
123.08065	53.7
123.11703	37.0
125.06016	9.9
125.09604	12.9
127.07576	3.8
128.06223	4.3
129.06992	7.3
130.07814	2.5
131.08551	10.3
133.06494	7.9
133.10118	24.7
135.08078	12.6
135.11717	12.5
136.56575	2.0
137.05995	5.4
137.09607	82.0
137.13269	2.9
139.07509	3.5
139.11180	4.6
141.09125	2.8
143.08540	8.5
145.06474	3.9
145.10109	21.8
146.81285	2.3
147.04340	10.4
147.08047	26.3
147.11679	34.0
149.09610	67.4
149.13298	2.4
151.03934	5.2
151.07541	28.7
151.11172	6.3
156.09309	5.1
159.11674	4.9
161.09607	28.1
161.13261	29.9
163.07574	2.7
163.11183	57.8
165.05461	3.9
165.09100	100.0
165.12695	13.0
167.07018	9.2
167.10649	9.7
169.08580	7.1
171.11693	13.1
174.10448	3.1
175.03935	18.0
177.12683	10.7
179.07019	9.4
179.10635	7.3
179.14326	6.4
180.04097	2.9
181.12228	3.4
183.06458	2.8
183.13802	3.2
189.09097	8.2
189.12743	46.3
189.16321	2.8
192.04147	4.5
193.04951	3.2
195.13774	4.1
207.06548	26.6
207.10156	5.6
207.13786	67.7
225.07355	4.8
225.09120	6.2
225.11137	5.7
225.14830	47.0
226.14951	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.32065	3.4
50.34454	3.4
53.03946	3.9
55.05498	16.8
57.03429	4.5
57.07058	4.0
59.04998	25.0
67.05495	24.3
69.03421	14.1
69.07060	11.8
71.12984	7.2
78.76915	4.1
79.05465	19.5
81.07057	26.2
83.04975	13.7
85.02901	18.4
85.06545	4.9
91.05461	33.0
93.07036	34.0
95.04950	13.8
95.08596	25.4
97.06545	6.4
99.04428	5.0
103.05512	4.0
105.07029	67.1
107.04939	7.3
107.08583	100.0
109.06516	33.1
109.10178	25.8
117.06981	4.6
119.01952	5.8
119.04938	8.8
119.08569	56.6
121.06499	15.5
121.10135	13.7
123.08058	98.0
123.11695	14.1
123.18665	3.6
123.40740	3.6
125.05946	7.6
125.09653	6.8
133.06453	7.1
133.10126	16.1
135.08035	28.7
135.11681	53.6
137.08635	7.6
137.09613	89.5
143.01944	4.2
143.08495	4.2
145.10123	7.8
147.08066	9.2
147.11687	32.5
149.09607	13.8
151.07565	14.1
151.11209	4.4
153.09116	18.7
156.09267	5.9
161.02968	6.8
161.09564	5.7
161.13223	37.9
163.11282	6.2
165.09021	4.9
165.12764	4.4
167.10738	4.6
171.11722	10.6
175.03920	11.1
177.12743	4.7
179.14284	6.4
181.12167	4.8
186.65428	3.6
189.12715	22.7
207.06491	11.4
207.13727	25.3
225.14822	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05493	1.9
57.07061	3.2
59.36470	1.1
67.05505	5.1
69.56155	8.1
71.04977	0.9
74.57227	1.1
79.05494	2.3
81.03925	0.8
81.07056	19.4
85.02899	100.0
85.06504	1.5
91.05470	1.8
93.07035	4.2
93.14300	1.1
95.04977	1.1
95.08606	15.3
98.20744	1.7
105.07023	2.5
107.08575	3.0
109.06493	1.1
109.10148	11.9
119.08559	3.4
121.10111	5.1
123.08112	4.4
123.11700	75.7
125.05968	5.6
131.08591	1.1
135.11667	1.4
135.82953	1.0
145.10156	1.6
147.07990	2.0
147.11642	4.1
149.09630	10.7
151.07477	2.9
161.13272	1.1
165.12770	1.8
174.10426	1.0
179.14378	1.1
189.12749	6.0
207.13806	19.5
208.17101	0.9
218.60802	1.1
225.14832	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.48725	5.4
55.05497	29.5
56.96571	7.0
57.03413	10.0
57.07050	13.9
59.04992	7.6
61.02901	7.1
65.93832	5.7
67.05502	49.2
69.03137	5.8
69.03425	71.0
69.07054	30.4
71.04990	31.4
71.61027	8.4
77.56495	5.9
79.05498	39.4
81.03429	8.8
81.07040	70.9
83.04976	32.8
83.08598	20.5
85.02903	81.8
85.06528	13.5
87.04469	32.6
91.05470	68.6
93.07042	57.2
95.04970	36.6
95.08607	63.0
97.02888	6.3
97.06525	22.3
98.97557	7.9
99.04437	31.6
103.05460	7.2
105.07018	59.0
107.04929	13.8
107.08590	59.7
109.06502	50.3
109.10152	54.9
111.04443	9.5
111.08076	23.7
116.98607	9.7
119.04910	28.2
119.08562	49.0
121.06470	18.6
121.10130	63.8
123.04404	18.7
123.08064	55.8
123.11706	74.6
124.07557	9.9
125.05972	19.3
125.09618	12.4
133.06480	10.3
133.10118	31.8
135.08017	12.1
135.11655	12.0
137.05960	12.6
137.09602	42.5
139.07549	11.2
139.11169	100.0
140.09015	6.8
140.98822	6.7
143.08513	7.7
145.10112	13.7
147.04439	29.5
147.08043	7.2
147.11670	43.5
149.09608	49.7
151.03894	8.0
151.07516	24.7
151.11186	14.9
159.11687	6.5
161.09602	14.5
161.13243	39.7
163.11128	17.0
165.09138	9.3
165.12737	27.1
167.10661	19.8
171.11632	11.2
174.10388	7.9
175.03912	36.8
179.07022	18.8
179.10648	9.0
179.14290	14.7
179.95726	6.1
181.08582	6.2
181.12166	6.8
183.06500	12.5
183.13805	14.8
189.12726	47.9
192.04233	11.7
207.06563	56.8
207.10210	8.4
207.13820	92.4
225.07385	12.1
225.09294	10.9
225.14809	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01870	3.4
55.05497	11.7
55.20811	1.7
57.03426	4.4
57.07068	3.4
59.04982	4.3
67.05502	17.3
69.03419	25.9
69.07047	5.8
70.05221	1.9
70.33805	9.2
71.04981	8.1
73.02912	2.8
79.05486	11.6
81.03407	4.6
81.07052	34.7
83.04973	30.5
83.36326	1.8
84.43238	1.8
85.02890	15.2
85.06516	2.2
91.05466	15.5
93.07033	19.9
95.04973	9.7
95.08601	45.5
97.06521	9.5
97.10127	2.2
99.04447	8.3
99.08110	1.9
105.07024	30.7
107.04886	2.5
107.08584	34.3
109.02812	2.5
109.06509	79.7
109.10155	4.2
111.08057	3.9
113.05973	2.2
119.04906	4.1
119.08573	34.8
121.06548	3.1
121.10123	23.8
123.08056	100.0
123.11697	6.0
125.06043	2.1
125.09608	7.8
127.07539	3.4
131.08598	2.7
133.06494	4.4
133.10114	15.7
135.08020	4.5
135.11679	28.5
137.05847	1.9
137.09607	6.3
137.13260	4.3
139.07483	2.3
141.09099	28.4
145.10100	4.3
147.04364	4.5
147.08034	7.4
147.11659	21.8
149.09601	15.4
151.07480	10.1
151.11142	3.9
156.09476	2.2
161.13239	31.3
163.11153	2.4
165.09082	3.7
165.12766	5.5
167.10609	4.9
171.11711	4.4
175.03868	6.0
177.12718	2.5
179.14302	5.5
183.06526	3.7
189.12701	21.8
189.69414	2.1
192.04242	2.7
195.13809	7.2
207.06477	8.9
207.13777	74.8
211.10994	1.9
225.14845	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.04422	0.5
53.84809	0.6
54.52673	0.6
55.01865	1.0
55.05484	1.9
57.07053	0.7
58.26506	0.6
58.79550	0.5
65.03928	3.3
67.05482	2.3
69.03418	1.4
69.07058	1.2
69.65958	1.0
69.66370	3.5
71.04999	1.1
77.03922	1.7
79.05484	2.7
81.07042	4.3
83.04964	2.6
85.02416	0.9
85.02908	11.0
89.03892	0.9
91.05479	42.6
93.07036	2.6
95.04954	4.9
95.08598	2.3
98.06059	0.7
99.04424	1.1
103.05430	1.2
105.03384	2.1
105.07012	2.3
107.04940	2.7
107.08579	1.9
108.05775	1.0
109.06484	2.5
109.10124	2.2
111.04387	1.1
113.05976	0.6
118.04172	6.0
119.04939	46.8
119.08564	2.7
121.02864	1.6
121.06548	0.9
121.10117	1.7
122.03675	0.7
123.04424	2.3
123.08051	2.0
123.11700	7.6
129.03337	0.7
132.02040	3.5
133.02834	2.3
133.06499	0.8
133.10133	1.0
134.03647	1.1
135.04384	1.9
135.08034	1.3
136.05202	1.3
137.05962	2.7
139.07529	0.7
140.04640	0.7
145.02818	0.9
145.10120	1.0
146.03633	1.9
147.04404	42.7
147.08023	1.1
147.11702	0.9
149.02315	5.5
149.05908	0.6
149.09641	1.8
151.07520	2.0
153.05460	0.9
155.06989	1.1
157.03935	2.3
159.07884	0.7
161.09665	1.8
161.13255	0.9
163.03925	1.9
163.11220	1.1
164.04678	4.8
165.05498	1.7
165.09085	1.4
165.12839	1.0
167.07103	0.9
167.10643	0.9
174.03160	1.4
175.03900	67.1
177.01816	2.3
179.07018	4.8
180.04208	2.5
181.08563	1.0
183.06502	2.7
189.12703	2.7
192.04166	21.3
193.04997	3.8
195.06453	0.8
207.06520	100.0
207.13762	5.1
208.06860	1.1
225.07442	3.7
225.14746	4.3
244.70547	0.6
247.26218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70400	0.3
55.05477	1.1
56.96539	1.2
57.03426	0.4
57.07047	1.0
61.11227	0.3
67.05476	1.2
69.07043	0.8
69.70729	0.4
70.19942	0.9
70.20341	0.7
71.04965	0.6
79.05485	0.5
81.07059	2.0
83.04965	0.6
83.08595	1.5
85.02871	1.2
85.27583	0.4
91.05451	1.5
93.07025	0.6
95.04925	0.7
95.08607	2.0
97.06493	0.5
97.10194	0.7
98.79991	0.4
99.04434	1.4
99.08067	0.6
101.94389	0.7
101.95023	10.4
105.03383	1.0
105.07004	1.1
107.08558	1.3
109.06480	1.5
109.10130	1.2
111.04411	0.6
111.08023	0.4
117.07009	0.3
119.04958	0.6
119.08554	1.0
119.96065	5.7
120.38943	0.3
121.10181	0.9
123.08031	1.2
123.11673	1.3
125.06044	0.4
125.09537	0.5
128.06194	1.5
133.10091	0.5
135.11649	0.5
137.07141	0.4
137.97102	8.3
141.06955	0.9
142.97656	1.2
147.04390	0.6
147.11685	0.6
149.09613	1.0
151.07500	0.5
155.04913	0.4
155.98154	4.0
156.05659	0.5
160.98697	7.8
161.13243	0.8
165.06979	0.4
165.12782	0.6
167.10699	0.8
169.06453	0.9
169.10159	0.4
175.03874	0.8
178.99762	5.3
182.07281	0.7
183.08041	0.4
184.00311	1.8
184.05186	100.0
185.05568	1.1
189.12717	0.9
192.04193	0.4
197.05971	17.3
197.09648	1.5
202.01357	1.3
207.06522	1.3
207.13794	1.4
210.06805	0.5
225.09096	15.7
225.10866	0.6
225.14775	4.1
225.19595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.3
63.59901	1.2
65.84260	1.1
69.03394	1.3
70.79233	1.4
70.79564	2.0
76.31362	1.2
81.96593	1.4
82.99854	1.6
98.97585	6.2
100.02505	1.8
101.00880	11.2
107.45803	1.5
116.98626	4.6
119.01922	100.0
120.01973	5.1
121.01627	1.9
124.02459	1.7
134.99692	2.9
137.02956	45.5
138.03047	1.8
142.03499	62.5
143.03751	3.0
150.00935	1.3
155.73109	1.2
158.97224	1.8
158.99623	1.3
160.04552	27.1
161.02939	14.8
161.22366	1.4
165.05090	2.4
175.56660	1.3
176.98338	3.1
177.00951	8.6
178.01064	1.6
178.98711	1.5
179.00764	1.7
179.04012	35.7
179.49939	6.0
179.99619	1.7
181.49036	2.9
184.04587	4.3
187.99252	8.6
188.34668	1.5
188.49329	2.2
190.49539	5.1
191.00502	2.4
199.50060	31.5
200.00105	12.4
200.50134	1.9
201.00644	2.2
202.00385	2.0
202.05585	4.9
202.07390	1.2
202.50404	2.2
211.00842	8.1
211.50893	2.7
216.95470	1.3
219.01982	5.7
219.47690	2.5
220.02103	2.9
223.01949	1.3
232.96690	1.4
235.99339	1.3
238.95454	1.9
241.72304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.07
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01854	4.4
55.05503	9.2
56.96558	12.1
57.03428	10.5
57.07071	7.1
57.85460	1.0
59.05001	1.5
61.02917	3.1
61.60502	1.1
64.48537	1.1
65.03926	5.2
67.05503	5.7
69.03419	7.5
69.07052	5.1
71.04987	8.4
71.08640	1.9
71.59791	1.5
72.08128	1.2
72.98031	1.4
73.02917	13.2
77.03918	1.4
79.05058	2.2
79.05489	32.3
80.05820	1.1
81.03416	4.7
81.07050	100.0
82.07380	3.9
83.04980	13.5
83.08632	1.9
84.96021	1.7
85.02896	7.1
85.06518	1.7
89.03904	2.5
91.05472	45.8
93.07036	10.3
95.04952	27.9
95.08591	12.4
97.02878	2.5
97.06508	5.1
98.97575	16.7
99.04446	12.0
99.08080	1.2
103.05457	3.6
105.03378	5.4
105.07012	11.5
107.04942	5.0
107.08588	12.6
109.02904	1.7
109.06516	11.8
109.10174	5.8
110.05975	1.3
110.97552	3.9
111.04442	2.4
111.08074	2.9
115.03959	3.0
116.98592	17.9
117.06992	1.8
118.04134	4.2
119.01899	1.8
119.04933	48.4
119.08553	11.6
119.79797	1.1
121.06480	4.6
121.10139	9.8
122.03561	1.2
123.04436	7.1
123.08051	12.8
123.11694	5.6
125.05978	10.5
125.06902	1.8
125.09611	4.3
128.98575	7.5
131.00157	3.4
131.08533	2.0
132.02029	3.6
133.02843	7.0
133.06479	1.6
133.10088	6.5
134.99651	11.2
135.04407	3.9
135.08055	2.6
135.11658	3.2
136.05167	1.4
137.05980	8.5
137.09573	5.7
139.03854	1.6
139.07530	1.5
140.04681	1.5
141.07045	1.3
141.09073	1.6
143.08549	2.3
145.10089	2.0
146.03604	2.0
146.99658	12.2
147.04391	39.9
147.08029	4.6
147.11679	4.9
148.04910	1.2
149.01204	2.6
149.02353	6.6
149.06004	1.8
149.09589	8.6
150.03009	1.1
151.03889	6.0
151.07553	9.1
151.11151	2.0
153.00737	2.4
153.05457	2.0
155.07025	3.2
157.04005	2.9
158.99640	5.9
159.11694	2.0
161.01219	1.4
161.05896	2.3
161.09546	5.4
161.13263	4.5
162.99202	1.4
163.03873	3.8
163.11166	15.1
164.04669	5.9
165.00674	2.6
165.05478	4.2
165.09093	3.4
165.11363	1.2
165.12732	2.0
166.09767	1.3
167.06996	3.2
167.10672	5.9
168.05435	5.1
169.08589	3.5
170.99692	6.1
171.11662	1.8
173.01212	2.7
174.03224	1.9
175.03902	59.0
176.03288	1.5
177.00626	11.4
177.05992	1.6
179.06989	8.0
179.10590	2.3
179.14340	2.1
179.56216	1.2
181.12201	3.0
183.06567	5.4
183.13795	3.3
185.03911	2.4
189.00702	24.3
189.09113	2.6
189.12749	8.8
191.02266	1.4
191.05812	1.1
192.04161	22.4
193.04942	3.5
194.04428	4.0
197.08005	2.2
201.00739	2.4
207.01755	4.6
207.06505	98.7
207.10214	4.4
207.13757	14.6
208.06850	1.1
212.02357	1.6
219.01758	4.3
225.04117	2.8
225.07269	10.2
225.09164	2.6
225.11230	3.8
225.14853	24.5
225.19635	1.7
227.04015	1.5
231.01627	6.6
237.02820	5.9
246.58084	1.1
249.02850	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12946	1.8
57.33230	1.5
61.88422	1.7
70.43933	7.1
101.00871	11.7
112.60195	1.6
119.01917	100.0
120.02058	3.0
124.02470	2.6
133.99060	1.6
137.02957	38.1
138.03033	2.5
142.02419	3.5
142.03499	62.5
143.03674	2.9
148.09622	2.0
160.04553	22.3
161.02942	10.2
163.47951	1.8
165.05104	2.7
172.48537	2.0
177.00931	18.8
178.01057	4.8
179.00804	2.3
179.03999	31.1
179.49374	3.9
184.04520	3.8
187.99290	6.8
188.49483	3.1
190.49544	4.8
190.99780	2.0
196.99797	2.9
199.48192	2.6
199.50060	48.5
200.00119	20.0
200.49994	3.6
201.00653	2.8
202.00372	4.2
202.05501	4.0
208.50551	3.9
211.00859	15.2
211.50963	7.9
219.01970	10.7
220.02034	4.1
234.96370	2.3
237.16667	1.9
238.95602	6.7
240.37097	1.7
243.02072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03946	47.5
53.45436	1.3
54.54623	1.1
55.01879	10.9
55.05304	1.3
55.05511	14.3
56.05027	2.9
56.96544	2.0
57.03426	3.0
57.07058	5.9
59.04976	2.5
65.03931	4.0
67.05500	63.9
69.03424	5.7
69.07068	11.9
69.65024	9.6
71.04984	6.6
73.02930	2.1
79.05492	44.8
79.65016	1.4
81.03415	100.0
81.07053	80.5
83.04977	15.8
83.08636	6.6
85.06541	5.8
85.10158	1.3
91.04956	2.0
91.05481	23.8
91.47218	1.4
93.06463	2.8
93.07042	48.4
95.04959	26.5
95.08603	46.7
97.02917	2.0
97.06505	8.4
98.20735	2.7
99.04435	1.6
99.08101	3.2
103.05475	2.9
105.07036	22.5
107.04948	31.7
107.08595	26.8
109.06528	10.6
109.10167	9.7
111.08073	8.1
111.11761	1.3
116.98632	1.6
117.07001	17.1
119.08607	7.8
121.06503	14.7
121.10145	12.2
123.04424	3.2
123.08061	32.0
123.11646	2.3
125.05972	2.8
125.09612	3.3
126.01073	9.4
128.06181	1.4
129.06969	2.8
131.04921	2.4
131.08585	13.1
133.06493	4.2
133.10130	7.4
134.99646	2.4
135.04436	1.8
135.08064	7.2
135.11694	28.4
137.05962	3.2
137.09535	1.8
137.13217	1.4
139.07530	5.1
139.11212	1.9
141.06984	5.7
143.08546	2.3
144.09311	1.6
145.06479	18.1
145.10121	8.5
147.07970	1.5
147.11673	2.3
149.02338	21.4
149.05875	1.3
149.09598	3.2
149.13243	11.3
151.11246	1.5
153.09059	3.9
154.07762	2.7
156.20946	1.2
159.08058	5.7
159.11694	17.3
161.09628	2.6
162.03087	1.9
163.03922	2.0
163.07536	1.7
163.11198	9.7
163.14828	2.8
165.06909	1.3
165.09082	3.5
167.07007	3.4
167.08536	1.6
167.10555	1.4
169.10104	8.4
177.05429	2.4
177.12775	8.9
177.16397	2.9
181.12259	2.8
187.11180	12.4
187.14807	2.9
190.02618	1.9
195.08072	2.5
195.13753	2.0
205.08556	1.9
205.12195	6.5
205.15843	3.8
208.03648	1.7
208.08742	1.9
223.05658	9.2
223.07570	6.5
223.11188	4.4
223.13135	12.5
223.16827	20.8
223.20473	3.6
225.04178	6.8
227.02193	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.53665	1.1
51.02376	1.6
53.03946	45.8
55.01870	11.2
55.05515	10.1
56.05025	3.6
56.96540	1.3
57.03441	1.4
57.07066	2.9
65.03934	3.6
67.05502	65.0
69.03420	3.9
69.07063	9.2
71.01325	1.1
71.03439	2.6
71.04972	5.5
73.02878	1.1
79.05491	36.8
81.03416	100.0
81.07053	72.4
83.04980	10.8
83.08607	5.9
85.02917	1.2
85.06527	3.2
91.05479	22.9
93.07043	40.8
95.04967	23.3
95.08604	43.1
97.06512	6.2
99.08097	2.9
103.05453	3.5
105.07028	19.1
106.07370	1.2
107.04945	25.8
107.05616	2.0
107.08592	18.4
109.06522	5.6
109.10126	5.2
111.08076	4.7
113.03084	1.2
113.06001	2.5
114.94021	1.1
115.05459	2.4
117.07018	16.3
119.04913	1.9
119.08552	7.7
121.06494	15.5
121.10130	10.3
123.04416	4.3
123.08067	31.4
125.05962	2.7
125.09627	1.8
126.01039	6.5
128.06224	1.5
129.07011	2.8
131.04906	2.7
131.08546	12.8
133.06476	4.6
133.10127	6.3
135.08018	6.4
135.11694	23.0
137.05940	2.4
139.07591	1.6
141.06969	7.0
143.08549	2.3
145.06505	18.2
145.10136	8.1
146.07260	1.5
149.02322	10.2
149.09621	2.6
149.13240	7.7
154.07776	1.9
159.08061	3.1
159.11696	20.4
163.03944	1.3
163.11192	9.7
163.14824	2.3
165.09076	1.5
167.07043	6.0
169.10097	8.5
177.09111	1.0
177.12740	9.2
181.12221	1.6
187.11188	13.2
194.43411	1.2
195.13774	2.5
197.65881	1.0
205.12178	5.9
205.15912	2.6
205.19463	1.5
223.04027	1.6
223.05966	3.6
223.07756	1.8
223.11346	2.5
223.13251	7.8
223.16870	8.6
223.20560	2.9
225.04329	2.9
227.02048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02349	1.7
53.03698	3.0
53.03944	45.8
55.01876	10.1
55.05502	12.3
56.05042	7.5
56.96566	2.3
57.03432	1.9
57.07067	3.9
59.05005	2.0
65.03934	3.9
67.05502	61.5
69.03419	6.0
69.07057	12.3
69.60654	11.8
71.01335	1.7
71.04987	4.9
73.02901	1.4
74.04662	1.5
79.05492	38.4
81.03416	100.0
81.07054	78.6
83.04980	16.9
83.08626	8.3
85.02890	3.6
85.06538	5.4
91.05473	26.9
93.07039	43.0
94.04698	1.2
95.04964	24.2
95.08603	46.0
96.34180	1.3
97.02885	3.5
97.06529	6.2
97.10160	1.8
98.21461	3.1
99.04481	2.3
99.08095	3.4
103.05491	2.0
105.07028	19.6
107.04958	29.0
107.08588	24.3
109.06489	9.3
109.10145	11.9
111.04453	2.0
111.08090	6.8
115.05455	2.1
117.07008	14.8
119.08595	9.1
121.06515	17.4
121.10133	12.0
123.04415	4.1
123.08066	30.1
123.11720	3.3
125.05997	2.1
125.09674	2.9
126.01073	21.0
129.07014	3.1
131.04942	2.7
131.08575	14.6
133.06500	2.6
133.10138	8.0
135.04416	2.0
135.08052	7.8
135.11682	24.3
137.06062	1.5
137.09608	3.5
137.25203	1.5
139.07550	3.3
139.11168	1.6
141.07008	6.1
143.08534	3.4
145.06494	15.3
145.10153	11.2
147.11775	2.2
149.02335	14.7
149.09615	5.1
149.13260	11.1
154.07767	2.5
159.08099	2.9
159.11679	17.8
161.09653	1.8
161.13271	2.9
162.03113	1.7
163.03891	4.0
163.11186	7.7
163.14804	3.5
165.09119	4.2
165.62389	1.4
167.07027	3.2
169.10139	8.7
177.05452	2.1
177.12764	10.1
177.16345	2.1
181.08685	2.1
187.11168	14.2
187.14857	2.5
190.02615	1.8
195.13809	2.3
205.12296	9.3
205.15848	5.2
223.05966	6.9
223.07524	9.0
223.09587	2.1
223.11263	3.2
223.13171	11.2
223.16789	13.7
223.20552	3.8
225.04294	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	223.0742
Annotation	Acetamiprid
Peak:m/z	Relative Intensity
56.05030	37.7
67.73575	0.2
71.33166	0.5
72.98457	0.5
73.66941	0.2
79.05472	0.3
80.28926	0.2
81.03405	0.7
81.07034	0.5
90.03432	3.8
91.04208	0.6
91.05482	0.4
93.07022	0.7
95.08601	0.5
97.02878	0.6
98.99995	2.1
107.08585	0.7
108.04488	0.3
109.06493	0.4
121.10197	0.4
123.08044	0.3
123.11704	0.3
126.01058	100.0
127.01408	0.8
135.07994	0.3
137.09489	0.3
144.02110	1.5
145.10052	0.3
146.07146	0.3
149.02313	0.9
155.03745	0.4
163.11139	0.4
167.03758	0.4
167.10637	0.3
177.12805	0.3
181.05240	0.9
187.09787	1.3
196.06386	0.6
205.12178	0.4
206.04790	0.8
223.07448	41.5
223.13232	0.6
223.16949	0.7
224.07796	0.4
225.04196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02367	1.3
53.03944	50.5
55.01869	9.9
55.05505	7.4
56.21662	1.0
57.03431	1.2
57.07058	0.9
62.32515	0.9
65.03927	2.9
67.05501	59.3
67.63116	0.8
69.03416	3.9
69.07065	5.7
70.17107	4.5
71.01337	1.4
71.05002	4.8
79.05489	31.8
81.03414	100.0
81.07053	67.7
81.07433	0.6
83.04977	9.7
83.08592	3.1
85.06544	3.4
91.04961	1.6
91.05482	19.6
93.07042	32.9
95.04963	24.4
95.08603	37.8
97.02867	1.0
97.06528	5.7
99.08067	2.2
103.05466	1.6
105.06372	1.2
105.07030	14.1
107.04952	23.8
107.08593	12.2
109.06519	5.8
109.10159	3.0
111.08062	4.2
113.06013	0.9
115.05474	2.0
117.07018	13.5
119.04881	1.1
119.08586	4.8
121.06492	12.7
121.10146	5.1
123.04424	3.6
123.08060	25.8
123.11723	0.9
126.01080	2.2
129.07004	2.0
131.04930	2.2
131.08560	14.1
133.06470	4.1
133.10136	5.7
135.08083	4.4
135.11691	20.7
139.07547	2.4
141.06947	7.0
143.08556	2.5
145.06476	17.9
145.10114	7.0
149.02321	6.3
149.09630	1.3
149.13235	7.4
153.09149	1.3
154.07750	2.3
159.08049	5.0
159.11681	15.6
163.11201	2.2
169.10094	7.3
170.13025	0.9
177.12752	7.0
187.11176	10.7
195.13863	1.1
205.12343	2.7
205.15846	1.2
208.03752	1.0
208.09402	0.9
223.05928	1.9
223.13254	2.4
223.16959	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
54.15078	2.2
55.01865	7.4
55.05496	4.8
56.05016	3.7
56.96289	5.5
56.96561	88.8
57.03430	57.2
58.03764	3.3
59.04984	2.4
60.04511	5.0
61.02919	65.3
67.05497	3.7
68.05022	6.2
69.03422	43.9
69.07080	2.5
70.06576	9.1
71.01345	8.1
71.04989	19.5
71.58913	4.1
71.95263	3.6
73.02911	70.5
74.02457	4.0
74.06065	7.3
74.97614	5.1
77.00790	3.0
80.05000	3.3
81.03409	29.0
81.07053	5.8
82.06561	3.7
83.04983	8.2
84.01556	3.9
84.04498	13.2
84.08099	4.0
84.96029	10.8
85.02425	4.0
85.02901	62.4
85.06551	3.3
86.03686	9.9
87.04472	8.1
89.00716	2.6
90.01550	3.1
90.05535	4.6
92.07112	6.2
93.02055	3.2
93.06998	4.6
94.06579	3.1
96.01534	5.1
96.04448	4.3
97.02874	44.4
97.96767	4.7
98.01286	6.1
98.06037	4.7
98.97577	100.0
99.04436	13.3
100.05241	8.1
101.00789	5.2
101.02348	3.6
102.01517	2.8
102.53098	2.5
103.02383	3.8
103.05502	2.6
104.01280	8.8
105.02061	5.1
105.07058	2.3
109.02890	16.6
110.01263	20.2
110.96931	2.7
110.97559	15.0
111.02045	8.4
111.04456	3.3
111.52274	3.7
111.53664	4.6
112.07591	3.8
112.99061	3.4
113.01747	5.1
113.02427	6.2
115.03931	14.4
115.97858	3.4
116.01241	4.6
116.07087	6.7
116.97803	4.9
116.98611	71.8
117.02025	10.0
117.03677	2.7
118.01029	3.5
118.02801	3.5
119.00164	4.3
119.01815	32.7
120.01945	3.6
120.97931	2.6
121.01588	4.2
122.06058	4.1
123.02071	2.9
123.04411	5.9
124.95480	3.1
125.01749	5.9
126.02554	7.5
126.05506	9.6
127.03928	22.4
128.02298	57.3
128.04228	3.4
128.52509	2.7
128.98590	27.6
130.05022	7.3
130.08603	3.8
131.00172	15.3
131.01820	7.4
131.04970	2.7
131.06870	4.4
131.53378	3.0
132.02577	3.8
133.01624	5.8
133.03448	5.5
133.04849	5.1
134.01343	3.3
134.02278	13.3
134.99649	40.3
135.03070	6.0
137.02806	30.5
138.02585	5.1
138.05437	11.7
138.99043	3.3
139.01520	5.9
139.53114	4.9
140.00201	6.3
140.02295	4.5
140.07072	5.9
141.03047	15.2
141.05544	5.7
142.04915	2.5
142.96509	5.2
143.00180	12.5
143.02821	19.6
144.02618	3.5
144.06546	10.0
145.03401	5.9
145.05008	2.9
145.53110	3.8
146.02313	6.5
146.99638	29.2
147.03081	16.0
148.02116	2.8
149.01212	37.0
149.02858	3.5
150.01778	3.7
150.03592	8.2
152.02278	4.7
153.00781	3.3
153.03053	4.1
155.00203	5.0
155.02823	7.6
156.03586	42.3
156.53833	5.5
156.97490	5.6
157.03477	9.5
158.01212	15.6
158.02327	2.9
158.08080	9.4
158.99669	20.1
159.03200	4.5
159.06500	14.5
160.03879	2.6
161.01213	13.8
161.02829	9.9
162.01822	14.1
162.03595	7.8
162.99129	7.7
165.00735	9.2
167.02235	15.3
167.54451	5.3
168.01620	6.1
168.03552	8.9
168.06601	6.0
169.02599	6.2
169.04565	3.8
170.03363	4.2
170.99641	10.1
171.02289	4.8
171.04179	4.6
172.04614	3.4
173.01241	10.1
173.02797	4.3
174.01773	6.0
174.98459	13.9
175.02821	4.9
175.04456	8.9
176.03429	9.2
176.07462	4.1
176.09094	20.7
177.00700	30.5
177.02365	11.3
177.04111	7.5
177.99619	6.3
178.03079	4.6
178.04901	3.2
179.02319	4.0
180.04747	4.2
182.01506	2.8
183.02382	12.3
183.03989	3.8
185.02896	8.0
186.03050	3.2
186.04611	10.3
186.07526	5.6
186.99113	7.9
188.97005	5.8
189.00708	17.6
190.03065	6.2
190.56512	9.0
190.98637	4.0
191.02284	34.4
191.03903	3.0
192.02821	16.4
192.04607	5.5
193.00165	4.7
193.03789	3.1
194.04401	11.3
195.01733	5.3
196.02951	3.1
197.03970	5.8
198.98880	3.7
199.02742	3.7
199.04561	5.3
200.02451	4.0
200.04256	6.6
201.00722	11.8
201.04929	3.3
202.98648	6.8
203.02289	5.3
203.03990	5.1
204.02815	5.8
204.05060	4.5
204.08647	21.5
204.10417	3.9
206.04436	6.8
206.07098	3.2
206.98109	3.2
207.01726	9.2
208.04478	6.1
209.03365	10.0
213.03342	13.3
213.05229	20.3
217.00047	17.3
217.05571	4.7
219.01837	13.6
221.03259	3.7
222.01933	16.4
222.03900	8.2
222.05765	26.7
222.07712	7.4
222.09666	46.3
222.15028	3.7
222.55719	4.4
223.01244	3.8
230.98203	3.8
231.06236	8.8
233.03366	4.6
235.01250	4.9
237.02783	11.1
242.57178	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.44139	1.3
51.85960	1.4
53.03930	1.8
55.01865	1.8
55.05502	12.7
56.96555	4.0
57.03431	2.8
57.07078	6.8
59.04986	1.9
65.03943	3.1
65.58398	1.4
67.05502	15.0
69.03429	4.5
69.07066	13.5
70.40166	6.8
71.04981	22.7
73.02910	1.6
78.34534	1.2
79.05488	19.8
80.15706	1.6
81.03426	2.6
81.07051	100.0
83.04978	5.8
83.08611	4.1
85.02907	3.0
85.06548	2.5
87.04463	1.6
91.05463	19.9
91.05918	1.8
93.07034	45.8
95.04942	6.8
95.08597	26.3
97.02893	3.7
97.06538	5.2
97.10191	2.0
98.97592	4.0
99.04430	2.3
99.08117	4.2
103.05471	5.0
105.07018	51.2
107.04980	3.3
107.08588	49.0
109.06524	5.3
109.10140	32.9
111.04424	2.1
111.08067	4.4
111.11736	2.2
113.09606	3.3
115.05455	5.2
116.98625	4.9
117.07022	7.2
119.08569	89.1
121.06501	6.2
121.10132	13.1
123.04393	2.2
123.08065	4.3
123.11694	15.6
125.09676	1.9
127.11163	10.5
128.06239	2.6
129.07040	3.5
130.06534	3.5
131.04938	6.6
131.08574	5.2
133.06505	6.4
133.10117	26.0
134.99652	4.4
135.08076	5.4
135.11679	70.3
137.05977	9.0
137.09639	4.7
137.13261	2.0
142.07829	1.8
143.04918	4.3
143.08502	3.2
145.06535	1.6
145.10133	5.3
146.03627	2.0
147.04475	3.1
147.08051	4.1
147.11667	30.5
147.12753	1.8
149.13237	10.9
151.03967	1.8
151.07587	3.1
151.11244	3.0
153.09122	2.6
157.07643	2.7
157.10201	2.0
158.06026	3.6
158.81505	1.4
159.08052	2.2
159.11717	4.1
160.05215	4.0
161.05966	97.4
161.09634	4.9
161.13266	12.0
162.06561	2.5
163.07547	7.4
163.11166	1.8
163.14861	3.9
165.05441	3.0
165.06978	2.6
165.09122	3.6
175.07455	19.6
175.08740	3.6
175.11247	5.4
175.14812	7.6
176.04750	1.9
177.05507	4.8
177.09100	39.7
177.16371	2.5
179.07072	1.9
179.10728	4.1
179.14276	1.5
185.13295	3.5
189.05544	3.0
191.07112	3.5
191.09131	1.4
193.06599	1.9
193.08612	2.4
193.15926	2.9
203.05258	2.7
203.06952	16.2
203.10713	8.2
203.14394	5.6
203.17926	39.4
203.19704	2.7
206.16283	1.8
221.04422	4.0
221.06006	3.9
221.08110	10.3
221.09995	3.4
221.11737	10.6
221.15462	15.2
221.19020	51.8
222.11501	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	2.2
55.05507	7.2
55.08308	1.1
56.81110	1.3
57.07077	3.6
58.89269	1.2
60.65226	1.2
67.05503	9.7
69.07068	10.9
70.04742	1.4
70.73920	1.9
70.74277	3.2
71.04987	26.2
72.55413	1.3
79.05486	15.5
81.07054	100.0
83.04958	2.1
83.08603	3.2
91.05471	9.4
93.07040	39.1
95.08605	20.3
97.06503	3.0
98.97546	1.8
99.08089	3.8
105.07030	40.1
107.07854	2.3
107.08589	44.1
109.06483	2.4
109.10159	22.9
111.08121	1.9
113.09666	3.3
115.95747	1.3
117.07011	4.1
119.08576	72.4
121.10125	7.8
123.11702	20.2
123.12558	1.7
127.11192	12.3
130.99699	1.1
133.06506	1.8
133.10112	18.5
135.11691	72.9
136.59418	1.2
137.09653	2.8
137.13219	1.4
139.11121	1.1
145.10118	1.4
147.08038	1.9
147.11678	24.7
149.13232	9.0
151.07507	1.4
159.11763	1.7
160.12451	1.5
161.05984	2.8
161.09636	2.1
161.13258	12.8
163.14790	2.7
165.09140	2.0
175.07533	1.5
175.14864	6.8
177.09160	3.2
177.12784	1.9
177.16299	1.6
185.09412	1.3
185.13370	1.6
186.56332	1.4
203.14336	3.0
203.16034	1.5
203.17949	36.8
221.15613	8.6
221.18988	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.54208	1.4
52.04215	1.3
53.03942	2.3
55.05494	6.1
57.07067	2.6
64.80663	1.6
65.03931	1.4
67.05515	6.7
69.07063	9.9
70.86766	2.9
71.04989	22.4
79.05495	20.1
81.07056	100.0
83.08595	3.8
89.89394	1.3
91.05479	8.7
93.07039	37.1
95.04955	2.8
95.08610	22.0
96.89532	1.6
97.06495	3.2
99.08116	3.6
105.07024	28.5
107.08591	53.6
109.06479	1.8
109.10155	21.3
111.08075	1.6
113.09669	1.8
117.06998	1.5
119.08577	50.9
121.10155	8.7
123.11704	13.5
127.11206	11.8
133.10130	22.4
135.11687	93.3
137.13266	2.8
145.10104	1.7
147.11685	22.2
149.13263	6.8
161.06053	1.9
161.13243	10.6
163.14816	3.0
175.14828	3.7
177.09070	3.8
203.17950	31.9
221.15521	2.1
221.19000	39.6
221.22391	1.6
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
53.03924	1.6
55.05504	6.3
57.07061	2.4
59.05003	1.2
59.27896	1.1
67.05499	5.3
69.07057	6.9
70.31643	4.4
70.67871	0.9
71.04985	16.7
79.05486	16.9
81.07049	68.6
83.05005	1.2
83.08601	3.2
85.06513	1.5
91.05473	9.3
93.07035	28.5
95.04967	2.7
95.08593	19.2
95.09157	1.6
97.10152	1.4
97.48566	1.3
99.08074	4.8
105.07022	21.9
107.08581	51.7
109.06544	1.5
109.10152	16.6
117.06997	1.3
119.08569	35.6
121.10125	6.1
123.08050	1.0
123.11696	14.4
125.09686	1.1
127.11186	8.0
133.06528	1.5
133.10130	20.0
135.11679	100.0
137.09578	2.4
137.13251	1.6
144.39087	1.0
145.10123	1.6
147.11682	13.6
149.13248	4.3
151.11159	2.0
156.01358	1.0
161.13251	9.6
163.14835	3.0
175.14790	2.1
175.67894	1.1
177.09148	2.3
177.16376	1.3
203.10791	1.3
203.17918	25.9
221.07970	1.3
221.11623	1.3
221.15526	1.8
221.18994	27.1
221.82988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.4
55.05507	10.5
57.03408	1.7
57.07058	5.2
65.03949	1.4
67.05504	9.2
69.07065	10.4
70.75475	3.8
71.04989	16.2
74.52914	1.2
79.05490	21.1
81.07052	71.3
83.04978	2.0
83.08610	4.4
85.06532	1.9
91.05464	12.5
93.06463	2.6
93.07040	36.8
95.04955	3.7
95.08598	25.9
97.06534	3.2
97.10132	2.1
99.08089	4.9
103.05471	1.7
105.07025	26.9
107.08588	50.5
109.06527	3.4
109.10146	20.4
111.08083	4.1
113.09630	2.1
117.07011	3.7
119.08574	41.5
121.10159	10.3
123.08029	3.2
123.11697	16.0
127.11191	7.0
128.06218	2.8
131.04915	3.5
131.08588	1.3
133.06480	1.7
133.10130	24.4
135.08049	1.7
135.11684	100.0
136.12059	1.1
137.06000	2.0
137.09595	2.7
137.13268	2.2
143.08588	3.3
145.10091	2.0
147.04311	1.2
147.11678	22.8
149.02338	4.8
149.13240	6.6
151.07579	2.0
151.11206	2.2
153.12762	1.5
157.10176	1.3
159.11687	2.1
160.05219	1.6
160.12453	1.8
161.03032	1.5
161.05981	3.8
161.09631	2.6
161.13248	13.6
162.06602	1.3
163.07574	2.3
163.14835	3.5
165.09111	1.2
165.12778	3.3
171.08080	3.9
174.06726	2.7
175.07516	6.0
175.14816	2.7
177.09111	15.5
177.16350	1.9
179.10701	1.5
188.08308	3.2
203.10620	10.0
203.14336	2.0
203.17938	34.2
206.16286	1.6
220.15933	1.4
221.08110	2.2
221.11743	5.0
221.15379	4.8
221.19020	38.9
222.11284	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	7.7
57.07052	1.3
59.04984	1.1
67.05511	6.1
69.07063	10.2
70.67348	2.1
71.04988	27.8
73.06565	1.4
77.03897	1.0
77.29924	1.0
79.05484	16.8
81.07051	100.0
83.08627	1.8
88.96770	0.9
91.05469	11.1
93.06462	2.1
93.07038	39.0
95.04929	1.7
95.08601	22.0
97.06515	3.8
98.21516	1.1
99.08085	2.9
105.07027	42.4
107.08587	44.2
109.06460	2.0
109.10145	28.2
111.08044	1.8
113.09591	1.4
116.98624	1.4
117.07005	2.9
119.08573	78.1
121.10121	6.4
123.11702	11.5
125.09670	1.5
127.11178	14.4
131.08521	1.2
133.10118	17.2
135.11685	81.7
136.12050	1.0
137.13249	1.4
147.11676	23.3
149.12164	1.5
149.13246	12.7
160.44745	1.3
161.13248	8.1
163.14751	2.6
165.12807	1.3
175.07524	1.3
175.14777	3.9
177.16415	2.0
198.07840	1.1
203.17946	38.0
221.15408	2.5
221.18983	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00308	0.5
53.03936	1.0
54.64531	0.5
55.01859	1.0
55.05251	0.8
55.05505	10.1
56.96565	3.0
57.03429	1.0
57.07076	4.3
59.04993	1.1
65.03922	0.9
67.05159	1.1
67.05499	12.0
69.03391	1.3
69.07063	13.3
71.04986	19.3
71.08610	0.6
71.63504	0.6
73.02911	0.5
73.06564	1.1
77.03939	0.7
79.05486	20.4
80.05829	0.6
81.07051	93.7
82.06596	0.5
83.04984	2.5
83.08607	4.9
85.06545	2.2
89.33588	0.5
91.05470	12.1
93.07038	39.8
95.04967	2.6
95.08600	29.4
97.02875	0.5
97.06525	2.4
97.10175	2.1
98.97590	1.2
99.08078	4.8
103.05479	1.0
105.03369	0.6
105.07023	34.6
106.37656	0.5
107.04945	0.9
107.08587	61.6
109.06525	3.6
109.10147	29.3
111.08051	2.8
111.11715	1.2
113.09650	1.7
115.05453	2.0
116.98605	1.4
117.07014	3.3
119.08574	60.1
121.06505	1.5
121.10127	11.7
123.08080	2.4
123.11703	18.3
125.09634	1.7
127.11182	9.8
127.65430	0.5
128.06194	1.5
129.07042	0.6
130.06541	0.5
131.04903	0.8
131.08569	1.6
133.06464	2.0
133.10123	25.3
134.99611	1.7
135.08069	1.7
135.11684	100.0
136.12039	1.1
137.05963	1.4
137.09627	3.7
137.13237	2.3
139.11160	1.5
141.12718	0.8
142.07811	1.2
143.04936	0.8
143.08542	2.4
145.06514	0.8
145.10091	2.9
147.04417	1.6
147.08063	1.8
147.11679	24.9
149.02345	0.9
149.09695	1.2
149.13257	7.7
151.07555	0.7
151.11197	2.3
157.10077	1.0
158.01253	0.8
158.06062	0.6
159.11766	1.3
160.05196	1.5
160.08893	0.8
160.12450	0.8
161.03067	0.6
161.05978	5.1
161.09698	2.8
161.13243	13.2
162.06725	1.1
163.07605	0.9
163.11179	1.0
163.14832	4.7
165.05525	0.6
165.06952	0.9
165.09113	2.8
165.12767	1.6
171.08028	1.8
173.13231	0.6
174.06769	1.2
175.07489	3.1
175.11198	1.7
175.14771	5.7
177.05547	0.8
177.09097	18.6
177.12680	0.5
177.16418	1.7
179.07153	0.7
179.10678	0.7
182.11516	0.8
185.13293	0.7
188.08311	0.8
189.05498	0.8
191.09726	0.6
191.11949	2.1
193.06584	0.6
193.08624	1.6
193.19466	0.7
200.12541	1.5
203.03226	0.6
203.07024	1.2
203.10683	5.8
203.14346	2.5
203.17947	39.1
205.14790	0.6
206.05673	0.8
206.16287	0.6
221.04318	1.0
221.06068	1.2
221.07787	2.6
221.11934	2.4
221.15605	9.1
221.19011	42.5
221.21988	3.0
222.11238	0.7
222.19135	0.6
227.01320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00292	1.2
53.03923	2.3
55.01868	1.5
55.05499	6.5
57.07066	3.6
59.41701	1.5
67.05491	6.1
69.07063	11.1
70.74493	2.2
71.04983	25.4
79.05488	16.3
81.07050	100.0
83.08608	2.1
91.05459	10.7
93.06468	2.6
93.07038	37.7
93.07623	2.5
95.04929	3.1
95.08601	22.6
97.06514	2.9
97.10166	2.0
99.08078	3.9
105.07021	44.5
107.08581	47.8
109.06512	1.6
109.10146	25.5
111.08068	2.2
111.11699	1.8
113.09642	2.0
117.06985	2.9
119.08570	78.2
121.10131	6.6
123.08084	1.3
123.11700	13.5
127.11178	15.9
131.08548	1.4
133.10115	16.3
135.11681	78.2
145.10149	1.4
147.11682	21.9
149.13234	10.8
161.13257	10.0
163.14772	2.2
175.14749	3.6
177.16393	2.1
193.08617	1.6
203.17928	37.2
221.07950	1.6
221.11720	1.7
221.15454	3.0
221.18993	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.87674	1.9
53.03933	2.3
55.05510	9.7
56.96548	3.7
57.07069	4.5
67.05494	7.6
69.07069	10.9
70.18977	7.1
70.19346	2.9
71.04988	25.2
72.35371	1.3
78.79572	1.8
79.05484	17.6
81.07054	100.0
83.08600	2.5
85.06551	1.8
87.01433	1.4
91.05485	11.6
93.07039	40.6
95.08595	30.1
97.06541	2.4
97.10162	2.8
98.97585	3.0
99.08093	5.6
105.07023	41.3
107.07857	3.3
107.08586	59.0
109.06487	2.8
109.09448	2.4
109.10153	27.8
111.08105	1.9
113.09635	3.1
116.98606	5.9
117.07008	2.2
119.08576	75.8
121.10107	8.1
123.11682	14.8
127.11204	10.8
133.10130	19.2
134.99663	4.9
135.08060	1.8
135.11682	91.1
136.12003	1.9
137.13239	2.1
147.11684	26.0
149.13297	10.1
158.01274	3.7
161.13272	10.4
161.14429	1.8
163.14903	3.6
165.05408	1.9
175.14737	2.8
177.16502	1.7
203.17929	45.6
221.19000	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.23281	1.1
53.03940	1.2
55.01877	1.6
55.05505	9.4
56.96558	6.4
57.07071	6.2
67.05499	12.2
69.07065	14.1
70.20253	4.8
71.04989	23.9
79.05486	17.8
81.07053	91.7
83.04967	2.8
83.08619	4.9
85.06565	2.0
91.05463	12.3
93.07038	47.9
95.04977	3.3
95.08601	28.8
97.06531	2.5
97.10188	2.3
98.97592	5.2
99.08076	6.1
105.07027	40.7
107.04942	1.3
107.08591	52.9
109.06519	2.7
109.10149	25.7
111.08105	2.3
113.09615	2.7
116.98603	7.8
117.06990	2.1
119.08572	67.5
121.06529	1.7
121.10123	10.9
123.08047	3.7
123.11720	17.2
127.11201	11.4
131.08572	2.3
133.06477	1.9
133.10133	24.2
134.99655	14.9
135.08078	2.3
135.11685	100.0
137.05974	2.2
137.09605	3.6
137.13278	1.7
140.00201	1.5
145.10114	2.7
147.11679	24.6
149.02341	3.3
149.13248	11.2
151.11220	2.4
153.00746	3.3
158.01299	5.1
159.11775	1.5
161.09631	3.6
161.13220	13.0
163.11226	1.6
163.14867	4.2
165.09152	1.5
165.12814	2.2
175.11244	2.4
175.14844	7.3
175.66714	1.3
176.02374	1.6
177.09157	1.5
177.16489	1.8
192.94989	1.3
193.12129	1.4
193.15967	1.7
203.06908	1.6
203.10828	1.5
203.14383	2.5
203.17947	39.8
206.16217	2.7
221.04460	2.3
221.07974	2.6
221.09888	2.2
221.11703	2.9
221.15652	10.0
221.19023	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	221.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44139	1.3
51.85960	1.4
53.03930	1.8
55.01865	1.8
55.05502	12.7
56.96555	4.0
57.03431	2.8
57.07078	6.8
59.04986	1.9
65.03943	3.1
65.58398	1.4
67.05502	15.0
69.03429	4.5
69.07066	13.5
70.40166	6.8
71.04981	22.7
73.02910	1.6
78.34534	1.2
79.05488	19.8
80.15706	1.6
81.03426	2.6
81.07051	100.0
83.04978	5.8
83.08611	4.1
85.02907	3.0
85.06548	2.5
87.04463	1.6
91.05463	19.9
91.05918	1.8
93.07034	45.8
95.04942	6.8
95.08597	26.3
97.02893	3.7
97.06538	5.2
97.10191	2.0
98.97592	4.0
99.04430	2.3
99.08117	4.2
103.05471	5.0
105.07018	51.2
107.04980	3.3
107.08588	49.0
109.06524	5.3
109.10140	32.9
111.04424	2.1
111.08067	4.4
111.11736	2.2
113.09606	3.3
115.05455	5.2
116.98625	4.9
117.07022	7.2
119.08569	89.1
121.06501	6.2
121.10132	13.1
123.04393	2.2
123.08065	4.3
123.11694	15.6
125.09676	1.9
127.11163	10.5
128.06239	2.6
129.07040	3.5
130.06534	3.5
131.04938	6.6
131.08574	5.2
133.06505	6.4
133.10117	26.0
134.99652	4.4
135.08076	5.4
135.11679	70.3
137.05977	9.0
137.09639	4.7
137.13261	2.0
142.07829	1.8
143.04918	4.3
143.08502	3.2
145.06535	1.6
145.10133	5.3
146.03627	2.0
147.04475	3.1
147.08051	4.1
147.11667	30.5
147.12753	1.8
149.13237	10.9
151.03967	1.8
151.07587	3.1
151.11244	3.0
153.09122	2.6
157.07643	2.7
157.10201	2.0
158.06026	3.6
158.81505	1.4
159.08052	2.2
159.11717	4.1
160.05215	4.0
161.05966	97.4
161.09634	4.9
161.13266	12.0
162.06561	2.5
163.07547	7.4
163.11166	1.8
163.14861	3.9
165.05441	3.0
165.06978	2.6
165.09122	3.6
175.07455	19.6
175.08740	3.6
175.11247	5.4
175.14812	7.6
176.04750	1.9
177.05507	4.8
177.09100	39.7
177.16371	2.5
179.07072	1.9
179.10728	4.1
179.14276	1.5
185.13295	3.5
189.05544	3.0
191.07112	3.5
191.09131	1.4
193.06599	1.9
193.08612	2.4
193.15926	2.9
203.05258	2.7
203.06952	16.2
203.10713	8.2
203.14394	5.6
203.17926	39.4
203.19704	2.7
206.16283	1.8
221.04422	4.0
221.06006	3.9
221.08110	10.3
221.09995	3.4
221.11737	10.6
221.15462	15.2
221.19020	51.8
222.11501	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03928	2.9
55.01866	13.8
55.05508	8.5
56.96568	10.6
57.07077	7.3
67.05500	14.1
69.03410	2.9
69.07068	18.1
71.03667	3.4
71.04988	20.6
79.05486	18.6
81.03470	1.8
81.07053	100.0
83.04971	4.7
83.08615	5.1
85.06534	2.0
91.05478	11.6
91.81979	1.4
93.07036	41.9
95.04973	6.6
95.08605	31.2
97.02884	2.5
97.06520	6.8
97.10201	1.9
98.97588	9.8
99.08092	4.8
105.07026	47.5
107.04951	2.3
107.08588	48.2
109.06509	4.4
109.10153	25.8
111.08053	4.4
111.11744	1.9
113.09671	2.3
115.05396	2.0
116.98600	13.3
117.07048	2.6
119.08572	75.1
121.06466	3.1
121.10122	10.2
123.08067	2.8
123.11726	12.4
125.52476	1.5
127.11185	10.5
131.08597	3.2
133.06490	2.7
133.10123	16.8
134.99640	23.1
135.04477	2.0
135.11682	67.4
137.05956	5.0
137.09584	2.1
140.00218	2.1
145.10098	2.4
147.08069	2.6
147.11679	26.0
149.02290	1.9
149.13228	11.1
151.07527	2.3
151.11133	1.6
153.00687	8.0
158.01237	11.9
161.05965	2.0
161.09639	2.1
161.13235	11.2
163.14809	3.8
165.01854	7.7
165.05484	7.3
165.09181	1.7
168.02292	2.3
175.11142	4.4
175.14830	5.9
176.02385	3.3
177.16411	3.2
179.07013	1.7
179.10745	1.8
181.02754	2.4
183.02879	15.5
191.10695	1.7
192.94971	4.1
193.05251	1.6
193.15811	2.0
198.03242	14.3
198.53386	2.8
203.10672	1.7
203.14233	3.8
203.17946	41.0
206.16299	2.7
207.03851	2.0
209.54071	3.8
221.04506	11.8
221.08101	6.9
221.11678	25.6
221.15494	8.2
221.19006	52.3
222.08044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03947	1.3
55.01870	11.9
55.05508	13.3
56.96574	6.4
56.96798	1.4
57.07080	7.0
65.03945	1.6
67.05503	17.0
69.03417	1.5
69.07060	17.2
70.98552	2.7
71.04984	12.2
71.28754	1.1
78.66998	1.4
79.05488	34.1
81.07050	45.2
83.04974	3.5
83.08612	3.7
85.02854	2.6
85.06526	3.9
87.04448	2.6
91.05475	55.5
92.38461	1.2
92.75448	1.3
93.07035	42.1
95.04971	7.1
95.08601	23.0
97.06448	2.7
98.97567	5.5
101.06001	1.8
103.05454	1.6
105.07023	94.1
107.08591	34.0
109.06499	6.4
109.10153	11.8
113.06012	1.7
115.05460	2.5
116.98621	8.9
117.07024	13.5
119.08574	100.0
120.09119	1.4
121.06470	4.0
121.10134	15.1
123.08051	5.1
123.11700	3.2
127.11194	2.6
128.06230	1.9
129.06979	9.4
131.08563	8.3
133.06462	4.3
133.10126	31.3
134.99648	21.2
135.08038	6.6
135.11685	21.2
137.05936	2.5
137.09636	2.6
139.07513	1.9
140.00209	2.5
143.08543	10.8
145.10106	1.7
147.06949	1.5
147.08057	26.0
147.11664	14.8
149.02348	1.5
149.09616	2.6
149.13222	4.4
151.07523	2.9
153.00700	6.4
157.10133	4.9
158.01221	8.8
159.08051	2.5
159.11673	13.6
161.09616	19.6
161.13246	93.9
163.07564	1.7
163.11183	1.4
165.09126	11.6
171.02829	2.7
175.11145	10.8
175.14825	11.0
176.02296	3.2
179.10646	7.5
181.02827	1.6
185.13261	18.7
192.94865	1.9
193.05133	2.4
198.03230	7.1
198.53416	2.1
198.98788	1.5
200.53589	1.6
203.10721	2.1
203.14317	36.2
203.17854	9.6
205.15257	1.4
206.16202	2.7
209.53996	2.8
215.96509	1.5
216.97989	1.6
221.04414	7.9
221.07944	2.0
221.11880	6.2
221.13580	1.8
221.15356	50.2
221.19038	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	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07429	0.1
51.86138	0.1
52.65648	0.2
55.01840	0.2
55.05493	0.4
57.03410	0.2
57.07046	0.2
59.37138	0.1
67.05492	0.5
69.03412	0.4
69.07046	0.4
71.61170	0.3
71.62618	0.1
79.05465	0.7
81.07050	1.3
83.04969	0.2
85.66708	0.2
89.03555	0.2
91.05476	1.3
93.07042	1.1
95.04964	0.4
95.08590	1.0
97.06512	0.2
105.03397	0.2
105.07040	1.7
107.04958	0.2
107.08609	1.0
109.06516	0.3
109.10140	0.6
111.08067	0.3
115.05443	1.1
116.06219	0.3
116.14734	0.2
117.07014	4.6
119.04919	0.2
119.08586	1.3
121.06480	0.5
121.10120	0.5
123.08073	0.7
123.11716	0.2
128.06224	0.9
129.07016	0.2
131.04913	0.3
131.08508	0.5
132.05750	0.2
133.06503	0.8
133.10139	1.0
134.07295	0.8
135.08049	1.3
135.11638	0.5
137.05960	0.3
137.09610	0.2
142.07745	0.2
143.08548	1.0
144.05659	0.4
145.06465	0.9
145.10114	0.5
147.04364	0.2
147.08060	0.4
147.11664	0.6
147.61182	0.2
149.09602	1.2
159.11678	0.2
160.05234	0.4
161.05972	0.7
161.09639	0.2
161.13217	0.7
162.06749	4.4
163.07274	0.2
163.11212	0.3
165.06950	0.2
171.08038	0.7
175.07536	2.8
175.11192	0.3
175.14818	0.4
177.09093	100.0
178.09407	1.3
179.81503	0.2
203.06984	0.2
203.10771	0.8
203.14351	0.7
203.17876	0.4
221.08020	0.3
221.09808	0.2
221.11861	1.0
221.15340	2.4
221.17310	1.3
221.19046	0.4
222.11174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
52.92282	0.5
55.77774	0.5
57.07048	0.5
60.19987	0.5
65.15231	0.4
70.19451	2.4
73.68623	0.5
74.02438	0.8
77.00114	0.5
82.02921	1.3
83.70872	0.5
84.83705	0.5
90.05556	0.9
90.60529	0.6
91.05459	0.7
94.06533	2.4
98.97574	0.8
103.05435	0.8
110.44158	0.6
115.05489	0.9
119.08589	0.6
130.06514	61.2
131.04922	1.2
131.06877	0.6
132.04443	29.8
147.09157	0.7
148.07539	3.0
157.07600	42.0
158.06000	61.1
159.09253	0.7
175.08658	100.0
175.87749	0.5
176.07028	1.8
176.08940	0.7
185.07101	1.1
186.05504	2.8
203.08142	39.3
204.06580	4.0
204.08286	1.0
221.09198	24.6
221.15245	0.9
222.11296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.03427	0.1
57.07063	0.3
61.43338	0.1
65.45674	0.1
67.05479	0.6
69.03423	0.2
69.07050	0.6
71.04968	0.2
71.58591	0.3
79.05474	0.9
81.03403	0.2
81.07052	2.1
83.04961	0.3
83.08597	0.2
85.06532	0.2
91.05464	1.5
93.07033	1.1
95.04945	0.3
95.08595	1.4
97.06488	0.1
103.69417	0.1
105.07022	2.1
107.04940	0.2
107.08596	1.4
109.06504	0.5
109.10160	0.9
111.08061	0.4
114.09147	0.1
115.05443	1.2
116.06215	0.6
117.06207	0.3
117.07007	4.3
119.04862	0.3
119.08568	1.7
121.06475	0.5
121.10128	0.9
123.08040	0.3
123.11705	0.4
125.73385	0.2
127.11140	0.2
128.06233	1.0
129.06982	0.3
131.04906	0.3
131.08571	0.2
132.05733	0.2
133.06491	1.4
133.10124	1.2
134.07271	0.9
135.08101	0.8
135.11676	1.0
137.05986	0.3
137.09619	0.4
141.11409	0.2
143.04912	0.2
143.08542	1.0
144.05669	0.5
145.06506	0.9
145.10049	0.3
146.07236	0.3
147.04382	0.5
147.08018	0.5
147.11664	0.9
149.02261	0.4
149.05989	0.2
149.09596	0.3
149.13275	0.2
151.07506	0.2
157.10085	0.2
159.11638	0.3
160.05203	0.1
161.05943	1.5
161.09641	0.4
161.13289	0.7
162.06749	4.8
163.54669	0.2
165.05556	0.2
165.09183	0.2
165.12741	0.2
171.08051	0.5
175.07524	2.7
175.11226	0.4
175.14801	0.6
177.09090	100.0
178.09393	1.2
180.10292	0.2
185.13203	0.2
189.05438	0.2
193.08536	0.3
193.15851	0.3
203.07010	0.3
203.10687	0.7
203.14224	0.6
203.17967	0.9
206.05745	0.5
221.04286	0.3
221.06094	0.3
221.07933	0.9
221.09692	0.2
221.11748	1.4
221.15379	1.4
221.17274	0.5
221.19098	1.1
222.11140	0.2
222.14861	0.3
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
56.88669	0.2
57.07048	0.2
67.05489	0.3
69.03400	0.3
69.07071	0.2
69.14880	0.2
71.16127	0.2
71.16457	0.4
79.05478	0.4
81.07020	0.4
91.05460	0.4
93.07041	0.5
95.08611	0.5
105.07000	0.6
106.07333	0.4
107.08588	0.6
116.98609	0.3
117.06977	0.3
118.06546	7.0
119.07304	0.3
119.08564	0.6
121.10152	0.5
121.10900	0.2
122.10503	0.3
131.07230	0.3
132.08063	1.8
132.08896	0.5
133.08862	1.0
133.10150	0.5
134.09622	0.6
134.10524	0.5
142.07324	0.3
143.84213	0.2
145.10126	0.3
146.09599	2.2
146.10573	0.3
147.11572	0.3
158.06873	0.3
160.11113	0.4
161.05975	0.3
162.09106	4.2
175.07169	0.8
176.10789	2.9
176.14337	22.7
177.09116	2.0
177.11491	1.3
190.09431	0.8
190.12238	2.3
202.09515	0.3
202.15779	0.6
204.14700	1.1
205.15964	1.1
220.10817	1.8
220.16943	100.0
221.15266	0.5
221.17279	1.7
240.33212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.35743	0.6
53.03947	0.6
53.87794	0.7
55.05497	2.6
56.05833	0.7
56.96558	5.9
57.03421	0.9
57.07073	1.4
59.04992	0.8
67.05500	0.7
69.03423	1.3
70.19283	2.0
70.19685	1.2
71.04986	1.6
73.02898	2.2
73.06548	1.8
74.02422	0.7
81.07036	0.9
82.02937	1.7
83.01342	1.2
83.04989	0.9
85.02882	2.3
90.05532	2.1
91.05895	1.5
93.07018	0.8
94.06545	6.1
95.01327	3.9
95.04892	0.7
95.08577	1.2
97.02884	2.7
97.06519	0.6
98.97593	4.8
101.05987	1.9
103.05467	1.4
105.07005	1.5
107.08596	0.8
109.10155	1.0
111.00803	0.8
115.05424	1.3
116.98598	3.3
119.08546	1.0
120.08099	1.3
121.06474	0.8
128.98598	1.7
129.05513	1.4
130.06516	89.4
131.04977	1.1
131.06847	1.0
132.04443	44.5
133.10110	0.8
134.99655	1.2
137.05917	1.6
141.05411	3.8
146.06012	0.8
147.09154	0.8
148.07539	3.1
148.20868	0.6
155.04631	4.4
155.54793	5.0
156.04796	0.8
156.06767	0.9
157.04907	1.0
157.07597	64.3
158.06000	94.7
158.99672	2.0
159.06287	1.4
159.09157	1.0
161.05864	0.8
163.07542	1.0
164.05170	5.4
164.55363	3.8
166.55299	0.8
175.08658	100.0
176.07069	3.6
176.08966	1.3
177.00706	1.8
177.02174	0.7
178.01051	0.7
181.04999	1.0
185.07014	1.6
185.09937	1.1
186.05463	2.7
193.12280	0.7
193.15819	1.7
203.08144	33.6
204.06622	3.5
204.08231	0.7
221.09172	19.1
221.11807	1.4
221.15237	0.8
222.11253	0.8
224.01622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05524	0.9
57.07070	5.1
59.04725	0.7
59.04995	4.4
67.05500	4.8
69.07064	4.5
70.02951	5.8
71.58627	1.0
72.04513	14.3
73.02910	4.0
74.02438	1.2
81.07022	0.7
83.04984	1.2
85.06535	9.8
86.09698	1.7
87.08102	1.6
90.05550	100.0
90.44533	0.5
90.50895	0.5
95.04964	5.3
96.08139	1.8
98.02409	14.6
100.03967	2.8
103.07583	7.8
112.07654	0.6
113.06009	3.2
116.03452	13.1
124.07587	18.2
131.07040	0.9
132.10294	0.6
142.08629	7.6
156.10181	1.3
160.09685	2.2
166.08635	2.5
174.11310	3.2
174.74327	0.5
184.09677	21.1
202.10739	32.5
205.15903	0.7
209.99387	0.5
220.11790	47.3
220.17780	2.1
226.35754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05505	1.6
56.96555	2.0
57.03437	1.1
57.07071	6.5
59.04999	5.8
60.02046	0.5
61.02926	0.6
64.85458	0.5
67.05499	6.7
69.03432	1.0
69.07053	5.8
69.67480	3.9
70.02952	5.1
72.04510	12.3
73.02910	4.8
74.02445	1.6
79.05460	0.8
81.07053	1.3
83.04977	1.1
85.02917	1.3
85.06537	9.7
86.09682	1.6
87.08101	2.2
90.05549	100.0
95.04964	7.7
96.08121	2.2
97.02878	1.9
98.02406	11.6
98.97598	1.1
99.08111	0.5
100.03976	2.9
102.74449	0.5
103.07565	8.0
103.08211	0.6
105.06993	0.6
113.06001	2.6
116.03448	15.9
116.98627	1.1
119.08641	0.5
120.08912	0.8
124.07583	15.8
130.08649	0.6
131.07028	1.2
134.10495	0.8
134.99635	0.7
142.08621	7.3
146.06053	0.5
146.99661	0.6
156.10286	0.9
160.09685	1.8
161.01288	0.7
165.05756	0.6
166.08618	2.3
174.11264	2.3
175.08786	0.6
181.04965	1.5
184.09682	20.2
187.54227	1.4
192.02960	3.3
196.54874	0.8
197.01337	0.6
202.10725	30.7
204.14624	4.5
205.15897	4.4
220.02477	2.3
220.06052	1.1
220.09967	1.6
220.11797	44.1
220.17770	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01884	0.7
55.05489	1.7
55.06731	0.7
57.03429	1.0
67.05489	1.3
69.31952	7.8
69.32350	1.5
79.05482	1.3
81.07043	1.8
83.08526	0.8
88.50880	0.8
91.05464	7.8
91.86552	0.7
93.07034	1.8
95.08590	1.1
98.97593	4.2
101.04082	0.7
103.05442	1.9
105.07004	3.5
107.08574	2.2
115.05431	7.9
116.06221	2.2
116.98585	1.9
117.07002	2.6
119.08572	2.2
121.10100	3.9
128.06195	6.4
129.06998	32.3
130.07756	3.1
131.04913	5.8
131.07573	1.8
131.08553	33.4
133.10114	7.3
134.99677	1.0
135.08018	2.5
135.11703	1.3
137.05971	3.0
141.06973	29.5
142.07663	0.9
143.08543	1.6
144.05710	4.4
145.06477	6.5
145.10149	1.8
146.07236	3.1
147.11668	1.3
148.05122	1.0
153.07016	0.9
157.06479	18.0
158.07260	17.6
158.99670	1.6
159.02945	0.7
159.04385	3.2
159.08038	21.5
159.11670	2.0
160.05168	4.6
161.05948	1.1
161.09619	3.3
161.13248	1.8
163.07532	2.3
169.06456	11.5
169.07697	1.0
170.07269	6.0
171.07994	1.5
173.06009	5.0
173.09628	1.3
174.06752	60.4
175.07526	10.8
177.00732	1.2
185.06044	1.2
186.06757	16.2
187.07547	1.4
188.08331	3.5
189.09091	81.5
190.09384	1.3
191.10670	6.9
201.09091	33.8
201.16328	1.5
203.14314	2.3
219.10147	100.0
219.17371	12.6
220.10394	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.63219	0.6
53.03919	0.7
55.05495	1.3
56.38844	0.6
57.03419	1.3
57.10169	0.6
62.13142	0.5
67.05489	1.3
69.30031	5.9
69.30440	1.0
71.04997	0.9
76.89548	0.6
79.05500	1.3
81.07035	1.4
91.05476	14.4
93.07037	2.0
95.08547	1.6
98.20773	1.3
98.97565	1.7
103.05466	1.8
105.07020	6.4
107.08578	2.0
109.10149	0.7
115.05444	5.9
116.06231	2.2
116.98611	1.3
117.07034	3.1
118.07813	0.7
119.08581	3.4
121.10118	1.8
125.09633	1.4
128.06187	5.8
129.06993	28.2
130.07780	1.4
131.04913	5.4
131.08556	26.7
133.06522	0.8
133.10123	7.9
137.05972	3.4
141.06987	23.5
143.04897	1.6
143.08528	2.4
144.05701	4.8
145.06470	5.5
145.10139	3.0
146.07236	2.9
147.08037	0.7
147.11694	1.0
148.05139	0.9
157.06471	15.0
158.07262	16.2
158.99680	1.1
159.04433	2.5
159.08051	20.5
159.11702	2.2
160.05215	4.0
161.05981	0.9
161.09599	3.8
161.13249	1.6
163.07564	1.2
168.05760	1.0
169.06467	11.0
169.07677	0.8
170.07230	4.7
171.04341	0.7
171.08017	0.8
172.05237	0.7
173.05998	4.6
173.09605	1.7
173.13290	0.9
174.06755	55.4
175.07524	8.5
175.14839	0.9
186.06750	12.8
187.07509	2.3
188.08295	2.5
189.09090	71.1
190.09444	1.1
191.07014	0.8
191.10660	6.7
201.09087	31.7
201.16446	0.7
203.14308	5.8
219.10149	100.0
219.17401	21.6
220.10500	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
69.49276	6.0
70.08888	0.8
91.05476	7.8
93.07024	1.3
103.05484	1.2
105.06998	2.7
115.05437	4.6
115.47102	0.7
116.06245	1.5
117.07014	2.0
125.90318	0.7
128.06230	4.5
129.06995	27.2
130.04060	0.9
130.07779	1.6
131.04953	5.0
131.08560	26.2
133.10103	3.5
137.05930	2.3
141.06973	22.8
143.04897	1.1
143.08546	1.5
144.05705	4.6
145.06480	4.0
146.07265	3.5
148.05107	0.8
149.39452	0.7
157.06483	15.3
158.07263	13.2
159.04405	2.6
159.08046	20.4
159.11682	1.3
160.05194	3.0
161.05910	1.1
161.09572	2.2
163.07570	1.1
168.05687	0.9
169.06458	11.1
169.07765	1.2
169.67146	0.8
170.07307	5.1
173.05997	2.4
173.09669	0.7
173.13206	0.9
174.06758	49.5
175.07521	7.8
183.08064	0.9
186.06767	12.3
187.07497	1.4
188.08278	3.2
189.09094	74.3
190.09499	1.0
191.10646	5.4
201.09093	30.8
201.16260	1.2
203.14206	1.1
219.10146	100.0
219.17352	8.8
220.10536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.91063	0.7
53.89065	0.6
55.05479	1.6
57.03429	0.9
57.07060	0.6
67.05505	1.2
69.07088	0.7
69.59158	1.9
69.59574	3.2
71.04993	0.7
74.32856	0.7
79.05489	1.0
81.07048	2.2
91.05475	7.5
93.07020	1.9
95.08601	1.7
98.97577	1.3
103.05450	1.9
105.07002	5.2
107.08534	1.5
109.10143	1.0
115.05436	7.0
116.06223	2.2
116.98592	1.4
117.06987	2.9
119.08559	2.5
121.10105	2.8
125.09561	0.7
128.06210	6.5
129.06996	23.8
130.07750	1.4
130.88652	0.6
131.04904	4.8
131.08556	22.9
132.05641	1.2
133.10078	4.4
134.99638	0.7
135.08081	0.8
135.11714	0.7
137.05954	1.6
141.06979	20.1
143.04904	0.9
143.08540	1.2
144.05719	3.5
145.06479	6.2
145.10097	1.8
146.07286	3.4
147.07964	1.0
147.11658	1.0
151.07587	0.7
157.06479	13.0
158.07260	12.3
159.04387	1.7
159.08046	19.3
159.11674	2.5
160.05144	3.2
161.09590	1.9
161.13297	1.3
163.07484	1.4
169.06445	8.4
169.07671	0.8
170.07272	4.1
171.08054	0.9
173.05988	2.9
173.09581	1.3
174.06750	44.9
175.07529	10.0
175.14804	0.8
186.06747	10.4
187.07515	1.5
188.08307	2.4
189.09088	60.1
190.09468	1.4
191.07001	1.4
191.10706	5.7
201.09082	23.9
201.16309	1.7
202.51910	0.7
203.14276	4.7
219.10139	100.0
219.17383	22.6
220.10480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
54.03466	2.5
55.05505	36.2
56.05028	2.6
59.04984	2.1
59.06128	1.8
60.05643	4.0
63.64823	1.4
67.02981	2.3
67.05495	8.5
68.05013	1.8
69.03415	2.7
69.07063	10.4
69.37048	2.8
69.37456	12.0
73.02908	3.5
79.05480	2.3
81.04530	4.7
81.07045	11.4
83.04974	51.9
83.06046	1.6
83.08595	4.0
83.31016	1.3
84.73862	1.3
85.05140	3.8
85.06517	3.7
86.49881	1.5
87.04459	4.6
89.02380	4.1
89.06020	15.4
91.05476	3.6
93.03397	1.5
93.04518	2.5
93.07031	6.5
94.94710	1.5
95.04970	1.8
95.06080	4.3
95.08601	25.8
99.04433	3.1
101.06007	19.6
105.07042	11.2
107.06079	2.9
107.08583	12.5
108.05603	4.8
109.07632	3.1
109.10137	18.0
110.07139	7.9
111.04434	70.4
111.07976	6.4
112.04749	1.6
113.05980	9.0
115.26666	1.4
119.08574	13.8
120.05562	2.1
121.10133	10.5
121.23973	1.4
122.07159	3.0
123.06693	1.8
123.11711	6.3
124.08685	1.7
127.07551	10.4
129.05467	33.9
131.08533	1.7
132.05536	1.8
133.07594	5.5
133.10074	7.8
134.07106	6.9
134.08403	1.8
135.06659	6.1
135.07788	2.6
135.11702	2.1
136.05060	1.7
136.07451	4.1
136.08672	3.4
137.05917	2.1
143.08475	1.7
145.10127	1.8
147.06586	3.9
147.11650	12.8
148.08676	3.7
149.08223	6.8
150.08989	1.9
150.10236	1.9
155.07022	100.0
156.07361	3.5
158.07137	7.4
159.06650	2.9
159.11771	2.0
160.07471	1.7
161.08189	2.7
161.09474	1.8
161.13220	20.4
173.08090	85.2
174.08437	2.8
175.09758	11.5
175.14798	1.8
176.09280	12.0
177.07813	1.6
177.09970	6.9
180.07671	5.0
189.16324	1.8
190.10884	3.6
199.09610	8.3
200.09261	3.0
217.10477	71.4
217.16156	3.3
217.19493	59.5
218.10287	3.3
218.14038	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	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
56.96566	6.8
57.03437	0.8
58.99868	1.0
60.28888	0.6
69.03450	0.7
71.22462	0.9
73.02922	0.9
77.00916	0.9
82.99843	1.2
83.04997	4.0
84.96029	0.6
85.01397	1.8
89.06018	1.1
91.79255	0.7
97.96808	0.6
98.97581	8.3
101.00868	10.7
101.06013	2.0
103.02442	14.6
105.41631	0.6
110.00551	0.7
111.04435	6.5
113.00855	1.1
116.00496	0.6
116.98611	6.8
118.00248	1.1
119.01914	100.0
120.02029	1.9
121.01638	0.9
121.03472	13.2
121.12694	0.6
125.01022	1.3
127.00768	0.7
127.02382	1.9
128.98592	0.9
129.05461	1.7
130.00203	0.7
131.01895	10.5
133.03499	0.9
134.01543	0.6
134.99669	5.9
137.02948	49.6
138.03015	0.7
139.00772	1.4
142.01277	0.8
142.03502	2.4
145.03453	84.4
146.01517	1.0
146.03564	1.6
146.99608	1.3
147.01408	5.0
148.01318	1.3
148.50224	0.7
149.01225	0.9
149.01700	0.7
149.02934	7.2
153.00653	0.9
154.01282	1.1
155.07019	8.2
156.00252	0.7
156.97466	1.1
157.01830	4.0
157.51988	0.9
160.01309	0.8
160.04518	1.7
160.54637	0.7
161.37897	0.7
162.99223	1.4
163.04520	62.4
163.99887	0.9
165.00699	0.9
165.02460	0.9
166.02420	1.0
168.05046	3.6
169.01836	1.5
169.99847	0.9
170.99045	2.7
171.01373	6.3
173.02998	3.6
173.08073	7.5
173.98431	0.8
174.98622	2.0
175.01921	1.0
175.04556	0.8
176.02618	1.0
177.00706	1.9
177.02290	0.8
181.99547	0.9
182.02432	0.7
184.02354	2.2
184.52440	0.7
185.00455	1.8
186.06117	1.6
189.00157	6.0
189.02444	35.8
190.02444	1.1
190.98727	2.6
191.04057	5.4
191.57997	0.6
191.98570	1.3
192.98631	1.9
193.00143	1.3
193.01849	2.4
193.03175	1.5
193.52922	0.7
194.00653	4.8
194.02873	2.2
197.00473	0.8
197.99911	0.6
199.00902	1.2
199.02733	0.8
202.03322	0.6
205.01112	1.1
205.02821	4.1
205.53009	0.8
207.03511	22.5
208.03740	0.6
211.49173	0.6
211.99268	1.6
212.01712	4.6
212.03987	2.3
212.49385	0.7
214.00682	0.6
214.03481	1.3
216.98849	1.2
216.99789	1.1
217.01915	10.3
217.10674	6.1
230.94286	0.7
234.99689	2.3
235.02982	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	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
56.96566	6.8
57.03437	0.8
58.99868	1.0
60.28888	0.6
69.03450	0.7
71.22462	0.9
73.02922	0.9
77.00916	0.9
82.99843	1.2
83.04997	4.0
84.96029	0.6
85.01397	1.8
89.06018	1.1
91.79255	0.7
97.96808	0.6
98.97581	8.3
101.00868	10.7
101.06013	2.0
103.02442	14.6
105.41631	0.6
110.00551	0.7
111.04435	6.5
113.00855	1.1
116.00496	0.6
116.98611	6.8
118.00248	1.1
119.01914	100.0
120.02029	1.9
121.01638	0.9
121.03472	13.2
121.12694	0.6
125.01022	1.3
127.00768	0.7
127.02382	1.9
128.98592	0.9
129.05461	1.7
130.00203	0.7
131.01895	10.5
133.03499	0.9
134.01543	0.6
134.99669	5.9
137.02948	49.6
138.03015	0.7
139.00772	1.4
142.01277	0.8
142.03502	2.4
145.03453	84.4
146.01517	1.0
146.03564	1.6
146.99608	1.3
147.01408	5.0
148.01318	1.3
148.50224	0.7
149.01225	0.9
149.01700	0.7
149.02934	7.2
153.00653	0.9
154.01282	1.1
155.07019	8.2
156.00252	0.7
156.97466	1.1
157.01830	4.0
157.51988	0.9
160.01309	0.8
160.04518	1.7
160.54637	0.7
161.37897	0.7
162.99223	1.4
163.04520	62.4
163.99887	0.9
165.00699	0.9
165.02460	0.9
166.02420	1.0
168.05046	3.6
169.01836	1.5
169.99847	0.9
170.99045	2.7
171.01373	6.3
173.02998	3.6
173.08073	7.5
173.98431	0.8
174.98622	2.0
175.01921	1.0
175.04556	0.8
176.02618	1.0
177.00706	1.9
177.02290	0.8
181.99547	0.9
182.02432	0.7
184.02354	2.2
184.52440	0.7
185.00455	1.8
186.06117	1.6
189.00157	6.0
189.02444	35.8
190.02444	1.1
190.98727	2.6
191.04057	5.4
191.57997	0.6
191.98570	1.3
192.98631	1.9
193.00143	1.3
193.01849	2.4
193.03175	1.5
193.52922	0.7
194.00653	4.8
194.02873	2.2
197.00473	0.8
197.99911	0.6
199.00902	1.2
199.02733	0.8
202.03322	0.6
205.01112	1.1
205.02821	4.1
205.53009	0.8
207.03511	22.5
208.03740	0.6
211.49173	0.6
211.99268	1.6
212.01712	4.6
212.03987	2.3
212.49385	0.7
214.00682	0.6
214.03481	1.3
216.98849	1.2
216.99789	1.1
217.01915	10.3
217.10674	6.1
230.94286	0.7
234.99689	2.3
235.02982	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	214.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	1.9
55.05514	1.0
56.05034	4.3
56.96564	100.0
57.03436	9.1
58.06598	1.4
58.96997	0.5
59.04993	0.5
60.08151	1.3
60.95859	1.4
61.02631	0.7
61.02927	7.6
67.05512	0.5
68.05027	1.3
69.03434	7.2
69.07082	0.6
70.06580	3.1
70.75391	0.8
70.75751	1.1
70.98123	0.5
71.01348	1.0
71.04990	4.7
71.95247	0.6
72.93771	0.8
72.96050	0.8
73.02918	10.4
74.03235	0.9
74.06088	0.8
74.38506	0.4
74.97606	4.0
75.04474	1.2
77.00889	0.7
80.04993	0.6
80.05820	0.4
80.31019	0.4
81.03416	4.1
81.07065	0.8
82.06573	1.5
83.00787	1.0
83.04974	1.3
83.06061	0.9
83.76119	0.4
83.76661	0.5
84.04507	0.6
84.96039	5.8
85.02908	9.5
85.03413	0.8
85.07663	0.8
86.03235	0.8
86.03694	1.9
86.06067	1.0
87.04476	1.7
88.07616	2.4
88.99134	0.6
90.01546	0.4
90.94830	0.4
91.02355	0.7
92.01283	0.9
92.98653	1.0
94.06590	0.5
95.04975	1.0
96.01540	0.7
96.04477	0.5
97.02875	5.6
97.07664	1.5
97.96786	0.5
97.99188	1.6
98.01277	0.6
98.03197	0.7
98.06039	0.4
98.97586	7.1
99.02077	1.2
99.04466	1.9
100.02460	1.1
100.05251	1.1
100.07628	1.4
100.99146	14.4
101.00852	2.5
101.02390	1.0
101.12582	0.5
102.02274	1.1
102.96951	1.9
103.02424	1.2
104.01254	0.8
105.02156	1.6
105.07049	0.5
109.02880	2.3
109.07637	17.9
110.01279	1.9
110.06013	2.1
110.97568	5.2
111.02127	0.5
111.05581	1.3
111.09223	1.0
112.01002	1.3
112.07613	2.8
112.56443	0.4
112.99156	0.9
113.01800	1.8
114.05534	0.6
115.03944	1.1
116.00204	0.7
116.98621	8.3
117.02007	1.3
118.00969	0.6
118.03548	1.6
118.08658	0.7
119.00185	23.8
119.01897	15.1
119.03712	0.8
119.08632	0.4
119.51962	0.6
120.00729	0.6
120.01954	0.6
120.03315	1.1
120.98020	1.4
121.01549	1.6
121.03473	1.2
121.51750	0.5
122.02317	1.4
122.06038	0.9
123.03233	1.7
123.04079	0.5
124.03939	0.8
124.07594	0.8
124.08752	0.5
125.01711	0.5
126.02583	1.1
126.04381	0.5
126.05515	0.6
126.97063	1.6
127.01525	0.7
127.02431	1.2
127.03928	2.5
127.07732	0.7
127.08667	3.5
128.02336	3.6
128.07050	1.3
128.11858	1.8
128.98596	13.5
129.02052	0.6
129.03024	1.1
129.03996	0.6
129.10231	3.4
130.09764	1.1
130.96506	0.6
131.00177	2.6
131.01888	2.9
131.99690	0.6
132.97906	0.6
133.01688	1.5
133.03423	3.4
133.98875	0.5
134.02301	0.7
134.99646	6.0
135.03101	1.7
137.01228	6.0
137.02936	4.1
137.04773	0.8
137.05971	1.0
138.05482	0.7
138.98994	1.0
139.01547	0.9
140.02309	2.1
140.07027	0.6
141.00090	0.6
142.01891	2.3
142.03632	1.6
143.00168	1.1
143.01878	0.8
144.98079	7.5
145.01605	1.2
145.03453	19.6
146.02296	1.0
146.03642	0.5
146.04851	0.8
146.99644	28.3
147.03099	1.5
147.05011	0.8
148.01988	1.5
148.03836	1.7
148.97531	1.3
149.01155	5.1
149.02858	2.2
150.05467	2.3
150.96899	1.1
150.98982	1.0
151.02716	0.8
151.04541	1.8
151.53070	0.9
152.11804	4.0
153.00694	1.4
153.04143	0.6
154.01987	1.3
154.03708	0.5
154.04907	0.6
154.09743	8.7
155.02835	1.0
155.08156	5.3
156.01842	0.5
156.03702	2.2
156.05055	1.4
156.06552	1.7
157.02582	1.9
157.04407	1.5
158.03311	1.5
158.99603	2.8
159.54582	0.6
160.02856	0.6
160.06429	0.8
161.01233	4.0
161.02899	2.4
162.01810	1.0
162.03282	0.5
162.99144	23.2
163.02573	2.2
163.04515	5.6
165.00722	25.4
165.04234	0.8
165.79155	0.4
166.98616	1.2
167.02324	2.0
167.07034	1.2
167.54459	0.5
168.01567	0.6
168.03612	0.9
168.05077	1.5
168.06587	2.6
168.10150	0.7
168.53447	0.6
168.99974	0.8
170.01216	1.6
170.03343	1.2
170.12892	5.2
170.99638	1.2
172.02753	2.7
172.10832	3.3
172.95218	0.7
172.97548	4.0
172.98749	0.4
173.01259	1.2
173.02982	2.8
173.09264	1.4
175.02753	1.3
175.04503	4.7
176.03285	0.7
177.00716	4.3
177.02257	0.8
177.04102	1.2
178.03156	0.4
178.04999	1.9
179.02275	0.9
179.04022	0.5
179.07011	0.7
181.00208	5.6
182.03357	1.1
183.01755	13.6
184.03027	1.3
184.04648	0.8
185.03165	0.4
185.03943	0.5
186.00670	1.4
186.99237	0.6
187.00958	0.8
188.02296	1.7
189.00751	1.8
189.04239	0.8
190.98630	21.2
191.02292	3.0
191.04022	3.9
193.00130	1.7
193.03616	1.0
194.04385	1.3
195.01756	0.5
196.06029	4.0
196.10823	4.7
198.04677	1.8
200.03998	0.8
201.00711	1.3
202.05798	0.7
203.02283	0.6
205.00185	1.4
205.05569	1.0
206.03409	1.0
207.01756	1.2
207.05154	1.0
208.99695	44.4
209.03185	1.7
214.00220	2.3
214.03790	0.9
214.07153	2.4
214.11880	41.8
214.21597	0.6
217.05461	0.5
218.05139	0.7
219.01753	1.8
221.05170	0.5
223.01256	1.7
227.00717	7.8
232.01262	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	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.05943	1.2
55.01872	2.5
55.05502	6.1
56.96555	3.3
57.03431	3.3
57.07079	1.8
64.22205	1.4
67.05499	7.4
69.03449	2.9
69.07051	5.9
71.04990	100.0
71.08605	1.6
71.58525	2.0
79.05492	5.1
81.03401	4.4
81.07055	8.5
83.04971	3.3
83.08611	3.9
85.02901	2.7
85.06533	2.6
88.07624	3.9
91.05479	4.1
93.07021	6.2
93.53535	1.2
95.04941	3.2
95.08602	7.2
97.02880	2.9
97.06531	2.4
97.10204	1.4
99.04470	3.6
105.07040	5.7
107.04958	3.7
107.08596	6.2
109.02870	3.9
109.06482	2.4
109.10183	3.1
111.04455	2.3
113.09635	27.7
116.98630	2.0
117.07082	1.6
119.08551	4.1
121.06528	1.8
121.10155	5.9
121.87458	1.4
123.11710	11.6
125.05996	2.2
127.03919	16.5
128.06226	3.6
129.06990	4.6
131.08549	2.4
134.99655	2.1
135.08041	2.1
135.11656	2.9
139.07518	1.6
142.07790	5.1
143.08548	13.9
145.10057	2.5
148.97379	1.8
149.09624	2.0
153.06964	1.3
153.12773	1.9
154.06291	1.5
155.08539	6.8
156.09325	1.4
157.06514	2.3
157.10095	12.6
159.11691	2.6
165.07008	7.6
167.07048	4.7
167.08574	3.6
169.10179	4.6
170.10893	3.4
171.08044	5.4
171.11682	5.7
177.09143	2.2
177.16434	1.9
179.08630	1.6
179.84879	1.3
180.09340	7.4
185.09657	3.6
185.13234	11.4
195.10110	3.1
195.11710	16.1
195.13574	2.2
195.17426	20.2
198.10420	2.9
213.03802	2.2
213.05510	3.8
213.09145	6.1
213.12791	29.7
213.14528	2.5
213.16165	8.3
213.18282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75519	1.6
55.01855	4.8
55.05508	46.9
57.03421	4.9
57.07063	9.1
57.95473	1.5
59.04980	5.4
67.05498	23.6
69.03420	3.5
69.07063	100.0
69.12221	1.4
71.04982	14.6
71.08607	2.9
71.75674	1.4
73.06560	1.5
79.05489	13.6
80.58999	1.5
81.03397	2.3
81.06571	3.5
81.07051	64.9
83.04993	10.4
83.08614	23.7
84.42796	1.5
85.06536	43.0
85.52062	1.4
90.83528	1.7
91.05451	7.6
93.07035	34.7
95.04971	4.3
95.08598	86.4
97.06535	10.0
97.10160	25.0
98.21499	4.2
99.08090	28.7
105.07038	8.3
107.04936	3.9
107.08588	59.0
109.06474	1.9
109.10154	43.7
111.08070	9.3
111.11721	13.4
113.09660	12.2
117.07079	2.0
119.08582	5.7
121.10134	74.7
123.11693	13.1
125.09589	10.1
125.13306	2.3
127.03902	3.1
127.11190	2.7
127.74409	1.7
128.06207	1.9
129.06970	3.0
133.10167	1.9
135.08081	1.7
135.11681	44.0
137.05966	1.8
137.13245	42.9
139.11169	16.3
141.06985	2.7
142.07777	3.4
143.08580	9.9
149.13249	9.4
151.14804	5.9
153.12764	13.3
155.08530	4.5
157.06502	1.8
157.10109	8.2
161.13257	1.8
165.06960	3.6
167.07063	8.3
167.08351	2.0
170.10728	1.8
171.08003	5.2
171.11638	3.5
177.16376	98.2
180.09305	4.8
185.09599	3.4
185.13268	5.0
192.34120	1.8
195.10228	2.6
195.11700	8.0
195.13507	1.4
195.17407	24.3
198.10425	1.6
207.87209	1.5
213.05461	5.6
213.08990	3.7
213.12761	18.6
213.16316	4.4
213.18463	17.6
214.17928	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01855	6.6
55.05505	43.4
56.35339	2.0
57.03415	4.5
57.07067	10.8
58.41908	2.3
58.61774	2.3
59.04992	4.2
59.69045	2.1
67.05161	3.6
67.05498	36.0
69.03413	4.0
69.07061	95.7
69.37888	4.7
69.38288	23.0
71.04988	37.5
73.06532	4.4
73.09119	2.1
79.05492	17.2
81.07047	82.7
83.04977	8.6
83.08620	18.5
85.06525	32.8
85.10151	2.8
87.43616	2.0
89.24045	2.0
91.05469	7.6
93.07035	34.2
95.04967	4.4
95.08598	100.0
97.06556	11.1
97.10163	25.9
99.08089	29.8
105.07023	9.5
107.04961	4.7
107.08577	62.7
109.06525	2.6
109.10146	72.8
111.08070	8.8
111.11720	11.3
113.09641	17.8
119.08582	7.1
121.10133	83.2
123.11693	15.0
125.09621	13.8
125.60768	2.0
127.03889	2.8
127.11182	3.4
129.06998	2.9
133.10165	3.3
135.11671	42.0
137.05998	2.7
137.13242	41.9
139.11163	15.2
142.07739	4.3
143.08525	9.6
145.10159	3.4
149.13249	12.4
151.14827	8.0
153.12723	18.1
155.08504	5.4
157.10135	9.3
160.11375	2.3
161.13185	4.0
165.06929	4.9
167.07030	6.7
169.10078	3.4
171.08012	4.9
171.11729	3.2
177.16370	99.1
180.09445	4.2
185.13242	8.1
195.11787	12.6
195.13351	2.5
195.17407	42.3
196.07637	2.6
198.06633	3.0
213.05421	5.7
213.09064	5.0
213.12733	19.1
213.16373	6.9
213.18486	28.4
214.18019	8.0
220.83063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03935	1.2
53.41544	0.6
55.01865	4.2
55.05259	0.8
55.05508	10.4
57.07051	2.8
57.23328	0.7
63.01714	0.7
66.26966	0.7
67.05505	5.8
69.03424	3.3
69.06709	1.2
69.07063	16.5
71.04983	6.9
71.10368	1.7
72.01746	0.6
75.33084	0.7
78.04692	0.8
79.05486	12.1
81.03415	1.0
81.07052	21.2
83.04942	1.9
83.08613	11.2
83.90672	0.7
85.02898	2.1
85.06543	5.6
91.05466	6.2
93.07041	15.5
95.04951	3.2
95.08599	36.5
97.06527	2.7
97.10162	8.5
98.97562	0.8
99.04472	1.8
99.08085	32.3
103.05473	5.5
105.07019	8.1
106.04129	0.8
107.04946	34.0
107.08587	37.5
109.02850	0.9
109.06499	1.0
109.10156	11.7
110.03625	1.0
111.04461	0.7
111.08070	15.6
111.11717	1.0
112.69695	0.7
113.09647	3.3
115.05441	2.8
117.06976	1.5
119.08552	2.6
121.10135	59.4
123.04426	3.2
123.08035	1.8
123.11704	2.6
124.05189	2.5
125.05956	2.6
125.09612	6.8
125.13245	1.1
127.03883	1.5
128.06201	0.9
129.06964	1.9
131.04956	1.6
131.08580	1.4
133.10127	1.5
135.08047	11.1
135.11699	13.9
137.13239	7.2
139.07535	1.0
139.11160	2.5
141.06953	1.1
142.07779	2.7
143.08537	4.6
149.05943	0.9
149.09625	2.0
149.13231	6.1
151.03874	1.1
152.04622	1.4
153.06975	1.4
153.09068	1.2
153.12766	1.3
154.06250	2.0
155.08533	2.0
157.06488	1.1
157.10146	4.3
159.11644	1.6
163.07523	18.7
165.05591	0.8
165.06982	2.3
167.07037	62.9
168.07310	1.7
169.10109	1.5
170.10916	1.0
171.08044	1.9
171.11723	1.6
177.00778	1.0
177.09111	1.0
177.16376	100.0
178.16682	1.6
180.07773	2.5
180.09375	2.2
185.09659	1.3
185.13254	4.3
195.10130	13.2
195.11719	7.9
195.13780	2.4
195.17424	16.5
213.05580	1.7
213.09158	2.7
213.11118	2.4
213.12755	8.4
213.14833	3.1
213.16446	2.2
213.18416	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03937	0.5
55.01862	1.0
55.05516	0.5
57.03438	0.3
61.02895	0.3
61.37215	0.3
67.05515	0.4
69.03432	0.7
69.07082	0.3
71.07149	0.8
72.08147	0.4
78.04687	1.6
79.05489	6.3
81.03390	0.3
81.07051	1.1
85.02876	0.4
86.66734	0.3
91.05466	3.2
93.07027	1.5
95.04964	3.0
99.48399	0.3
103.05457	6.5
105.07018	5.6
106.04163	0.9
107.04945	48.4
107.08566	1.9
109.06533	1.0
111.04422	0.6
115.05450	3.4
117.07011	1.2
119.04953	0.5
119.08560	1.0
120.05695	1.8
121.06481	0.9
121.10117	2.3
122.03638	0.3
123.04411	4.8
123.08053	0.9
124.05215	2.7
125.05959	1.5
131.04897	1.8
131.08560	0.7
133.06488	0.9
134.03627	0.4
135.04410	0.6
135.08040	14.5
137.05959	1.7
143.08540	0.5
145.06471	0.4
145.07578	0.6
147.04416	0.9
148.05167	0.4
149.05965	1.1
149.09587	2.9
151.03856	1.7
152.04692	2.1
154.06235	2.4
155.08569	0.4
157.10098	0.5
163.07532	27.7
165.05478	0.6
165.06966	0.4
165.09088	0.4
167.07022	100.0
168.07341	0.9
169.08305	0.3
177.09099	3.4
178.94518	0.3
180.07791	3.2
180.09222	0.6
181.08562	0.8
185.13188	0.3
195.10153	20.1
195.11600	0.8
196.10461	0.4
213.05591	0.4
213.09209	0.3
213.11150	6.0
213.12711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03943	0.8
55.01859	1.4
55.05505	2.3
57.03425	0.8
57.07079	0.4
65.03931	0.5
65.50194	0.3
67.05498	3.0
68.99809	0.4
69.03419	1.5
69.07059	1.2
70.06554	0.5
70.56258	1.2
71.04990	1.9
71.08610	0.4
72.08145	0.4
77.03967	0.4
78.04696	1.9
79.05489	7.8
81.03411	0.9
81.07049	4.4
83.04973	1.6
83.08605	1.4
85.02859	0.8
85.06525	1.2
86.09687	0.6
88.07635	0.3
91.05481	4.9
92.71993	0.3
93.07038	3.5
95.04948	3.3
95.08605	1.7
97.02878	0.6
97.06528	2.5
97.10153	1.2
98.97588	0.5
99.04426	0.6
99.08069	0.6
103.05466	6.5
105.04545	0.6
105.07020	6.3
106.04156	1.2
107.04948	52.8
107.08581	2.6
108.05276	0.5
109.02875	0.6
109.06520	1.1
109.10153	1.4
111.04425	0.6
111.08068	0.8
115.05448	3.0
117.06992	1.6
119.04931	0.6
119.08540	1.1
120.05709	1.9
121.02917	0.4
121.06491	1.3
121.10094	1.9
122.03643	1.0
123.04417	5.2
123.08022	0.4
123.11691	0.4
124.05222	2.5
125.06018	1.9
125.09606	1.2
127.03905	0.6
128.06226	0.3
129.07018	0.6
131.04922	2.0
131.08540	1.3
133.06480	0.7
133.10095	0.9
135.04417	0.6
135.08043	14.0
135.11688	1.2
137.05966	1.1
137.09630	0.4
139.03845	0.7
139.07524	0.5
139.11122	0.3
141.05550	0.5
142.07706	0.7
143.08545	1.8
145.06512	0.3
145.07585	0.9
147.04396	0.8
149.05997	0.7
149.09595	1.1
149.13242	0.9
151.03923	2.1
151.07544	0.4
152.04686	1.8
153.05460	0.5
153.09053	0.6
154.06241	2.7
155.08514	1.1
156.92461	0.4
157.06508	0.6
157.10094	1.3
159.08069	0.4
163.07532	28.8
165.05469	1.0
165.06949	1.1
167.07028	100.0
168.07356	1.3
169.10191	0.4
171.08049	0.7
171.11734	0.4
175.14796	0.4
177.00809	0.3
177.09076	0.8
177.12753	0.5
177.16463	0.4
180.07802	2.9
180.09340	1.4
181.08566	0.7
185.09621	0.6
185.13237	1.5
195.10156	20.6
195.11702	2.5
195.13792	1.9
195.17494	0.4
196.10541	0.5
198.10341	0.4
213.05505	0.6
213.09068	0.7
213.11153	4.3
213.12764	3.2
213.14827	2.4
213.18199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01860	0.7
55.05513	0.6
56.96568	0.8
57.03429	0.5
67.05504	1.2
69.03426	1.2
69.07059	0.7
71.04994	0.4
71.05984	1.0
72.08127	0.4
78.00031	0.4
78.04695	1.7
79.05489	8.0
79.05956	0.6
81.03422	0.9
81.07056	1.8
82.96416	0.3
83.04974	0.4
85.02929	0.3
85.06569	0.3
91.05469	5.4
93.07040	2.5
95.04962	3.2
95.08598	1.1
97.02882	0.8
97.06552	0.8
98.97546	0.4
99.04458	0.6
103.05470	6.8
104.66946	0.4
105.07029	6.0
106.04159	0.6
107.04949	53.3
107.08591	3.6
109.02860	0.4
109.06503	1.4
111.04419	0.9
115.05436	2.9
117.07004	1.8
119.04955	0.4
119.08559	1.8
120.05750	1.9
120.06478	0.4
121.06484	1.4
121.10146	4.1
122.03677	0.5
123.04427	4.7
123.08065	1.9
124.05196	2.9
125.06008	2.1
125.09625	0.6
131.04900	2.1
131.08536	1.3
133.02869	0.4
133.06477	1.6
133.10132	0.7
135.04443	0.5
135.08044	16.6
137.05954	2.0
139.03801	0.5
139.07480	0.5
142.07787	0.4
143.08548	1.3
145.07591	1.0
147.04362	0.8
149.05986	1.1
149.09605	4.3
149.13290	0.4
151.03896	1.6
151.07512	0.5
152.04651	1.5
154.06155	1.9
155.08434	0.4
157.10101	0.8
163.07539	29.9
164.07848	0.4
165.05461	0.9
165.06822	0.6
165.09076	0.7
167.07031	100.0
168.07312	1.2
169.10109	0.4
171.08032	0.4
171.11748	0.4
177.09097	5.4
180.07832	3.2
180.09250	0.7
181.08519	0.6
185.13217	1.2
195.10162	22.2
195.11690	1.7
213.05452	0.4
213.09102	0.5
213.11188	6.9
213.12827	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.02378	1.1
53.03936	2.8
55.01863	4.1
55.05499	7.2
56.96563	16.4
57.03428	5.5
57.07049	3.0
59.04980	1.1
59.06113	1.2
61.02910	4.5
65.03928	2.5
67.05505	6.9
68.05013	1.0
68.99768	1.5
69.03426	15.2
69.07067	5.2
70.06569	3.8
71.01301	1.1
71.04975	4.3
71.08607	1.1
71.59542	1.1
71.60023	1.8
72.08149	3.0
73.02914	6.9
77.03915	1.3
79.05482	17.7
81.03420	7.7
81.07053	11.2
83.04971	3.9
83.08617	2.1
84.08141	1.4
84.96002	1.4
85.02892	10.4
85.06522	1.4
86.09703	2.2
87.04459	2.5
88.07612	3.3
91.05475	34.5
93.03378	1.7
93.06459	2.1
93.07039	34.8
95.04971	8.0
95.08591	6.1
96.08119	1.7
97.02883	11.2
97.06519	6.0
98.97587	6.9
99.04441	5.8
99.08093	1.5
103.05443	3.3
105.07022	40.0
107.04955	14.8
107.08586	63.6
109.02890	6.4
109.06494	6.0
109.10118	4.4
110.97595	1.2
111.04424	3.3
111.08061	3.5
115.03996	1.2
115.05447	2.0
116.06279	2.3
116.98627	7.0
117.06996	3.3
119.04941	3.8
119.08573	100.0
120.08919	1.2
121.02848	2.1
121.06503	6.9
121.10133	44.2
123.04451	2.0
123.08080	7.0
123.11656	2.1
124.05185	1.4
125.02375	2.0
125.05969	6.1
125.09621	6.1
127.03911	12.8
128.06216	4.4
128.98576	3.6
129.07001	8.8
129.53635	1.1
131.08562	41.3
133.06474	12.9
133.10118	13.1
134.99672	5.9
135.04393	6.5
135.08040	20.6
135.11655	1.4
135.72479	1.1
137.05960	1.9
137.09653	2.4
138.54170	1.5
139.03862	2.0
139.07455	3.1
139.11150	1.8
140.04669	1.4
141.05421	1.4
141.06949	2.4
142.06123	1.9
142.07741	5.3
142.08708	1.4
143.08553	15.8
145.04895	1.6
145.06508	1.6
145.10118	1.7
146.99680	5.6
147.04305	1.4
147.08028	18.7
148.97319	4.7
149.05972	3.5
149.09607	53.6
151.03902	5.2
151.07553	9.5
152.06194	1.5
153.05444	8.1
153.06900	3.1
153.09085	7.5
153.10117	1.3
154.07736	1.8
155.08539	7.6
156.09351	2.8
157.06483	4.8
157.10078	9.3
158.53882	1.6
158.99640	1.8
159.08034	9.0
159.11624	2.0
161.01195	2.2
163.02722	2.1
163.03923	3.2
163.07538	4.2
165.06978	7.0
165.09099	23.2
167.07074	20.9
167.08528	3.1
167.10654	22.6
169.04964	1.2
169.06326	1.2
169.10121	5.7
170.10901	2.8
171.08014	8.3
171.11638	4.0
171.54636	2.4
177.00655	1.7
177.09103	67.7
177.16364	2.1
180.09312	9.8
180.55183	6.6
185.09569	2.7
185.13251	12.8
189.04384	1.6
189.55717	59.2
190.05873	10.5
192.05757	2.3
195.02971	1.5
195.06503	3.8
195.10135	54.9
195.11714	23.1
198.04384	4.0
198.10460	1.4
198.56277	3.1
201.06520	10.4
201.56668	2.0
202.06715	5.9
212.57275	1.3
213.03792	2.2
213.05586	3.2
213.09050	6.1
213.11177	53.7
213.12822	23.9
213.15721	1.9
213.57518	1.4
216.05437	26.5
217.05701	1.8
219.01859	1.6
234.06528	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05506	16.1
57.03422	2.4
57.07069	3.7
59.04971	3.2
65.03922	3.2
66.38486	2.1
67.05505	18.7
69.03431	4.1
69.07072	18.4
69.68448	13.5
69.80704	2.2
69.94186	2.1
70.72055	2.2
71.04978	13.3
79.05499	12.3
81.07055	35.1
83.04965	7.9
83.08612	8.9
85.06516	3.8
91.05476	14.0
93.07045	25.2
95.04980	3.8
95.08601	54.6
97.06555	5.2
98.20765	4.8
99.04443	8.5
99.08080	11.0
105.07014	27.4
107.08588	40.0
109.06499	7.7
109.10142	37.4
111.08076	6.5
113.06049	3.3
113.09683	4.2
119.04918	4.4
119.08572	75.1
121.06535	3.2
121.10139	12.5
123.08085	4.0
123.11722	13.2
125.09592	14.3
133.06464	4.5
133.10120	95.0
135.11688	48.9
137.09628	15.8
143.40866	2.7
147.11646	10.1
149.13232	3.5
151.07550	3.4
151.11189	2.7
155.10710	7.7
163.14818	7.4
164.42079	2.3
165.16383	6.3
167.07050	10.0
175.14819	100.0
177.36147	2.3
193.12164	2.4
193.15892	18.3
211.09576	2.9
211.16907	17.4
211.75087	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05509	11.6
57.03433	1.7
57.07053	2.5
59.04994	4.9
67.05503	10.7
69.03420	5.7
69.07063	14.9
71.04994	8.0
71.21600	2.1
79.05482	7.3
81.07051	23.8
83.04973	7.1
83.08595	5.8
85.06525	2.6
91.05485	11.1
93.07035	22.8
95.04945	3.8
95.08601	38.2
97.06525	5.6
99.04434	8.7
99.08092	6.6
103.05450	1.7
105.07018	19.8
105.58462	1.3
107.08582	30.0
109.06498	4.5
109.10146	32.9
111.08073	4.3
113.05988	1.7
113.09632	5.2
115.07551	2.0
118.04154	1.3
119.04970	2.2
119.08573	60.3
119.63319	1.2
121.06472	2.4
121.10125	8.3
123.04413	2.3
123.08039	2.9
123.11706	11.1
125.09636	6.0
127.07573	1.7
131.08575	2.0
133.10121	100.0
135.11681	35.7
137.05983	1.3
137.09615	12.6
147.11662	4.4
149.05969	2.6
149.09674	1.3
149.13229	1.3
150.06729	1.5
151.07483	1.5
151.11180	2.5
153.12764	2.7
155.10623	5.2
163.14819	1.8
165.09134	1.8
165.16422	6.8
167.07034	6.9
175.14812	97.1
193.08551	2.6
193.12300	1.5
193.15863	13.2
199.94431	1.1
211.09677	2.4
211.16966	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.40068	0.6
53.03925	1.0
55.01866	0.8
55.05506	13.6
56.96553	2.2
57.03416	1.5
57.07077	5.4
59.04982	2.2
64.25076	0.7
65.03931	1.5
67.05501	26.1
69.03420	10.5
69.07062	18.8
69.61916	3.4
69.62331	1.6
71.04998	4.3
71.08620	1.4
71.18855	0.6
79.05486	5.2
81.03367	0.9
81.07049	27.1
82.78052	0.6
83.04975	12.8
83.08609	9.5
85.06544	4.5
91.05484	5.6
93.07035	13.2
95.04963	3.7
95.08599	39.8
97.06515	2.0
97.10142	2.8
98.21468	1.3
99.04429	0.9
99.08070	4.8
105.07021	9.4
107.07861	1.0
107.08588	21.9
109.06512	11.7
109.10149	100.0
110.10489	1.2
111.08064	4.2
111.11725	1.2
113.09650	1.7
117.07049	0.6
119.08573	25.1
121.06544	0.8
121.10146	12.3
123.04443	3.3
123.08056	13.4
123.11697	10.9
124.64415	0.7
125.09606	2.9
127.11164	1.1
133.10115	19.7
135.11681	66.1
136.12027	1.4
137.05998	1.1
137.09601	16.0
138.10385	0.6
139.03879	0.8
139.11185	1.7
147.11682	2.1
147.66739	0.7
149.05997	1.4
149.13232	5.7
151.03925	1.4
151.07512	1.5
151.11176	11.0
151.14807	12.1
153.12735	3.1
155.03351	1.5
155.08566	1.0
159.07907	0.6
165.16396	2.9
167.07036	11.2
169.10100	0.7
175.11169	0.9
175.14818	21.5
176.15169	0.8
179.03374	0.7
179.07005	4.5
181.08569	0.8
183.08061	0.8
193.08545	0.7
193.15874	22.0
193.17650	1.2
211.07697	1.3
211.09637	3.0
211.11330	1.0
211.13100	1.0
211.15121	1.1
211.16925	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.34853	2.5
53.84492	2.7
55.01854	3.4
55.05507	11.4
56.96563	14.1
57.07075	4.9
60.13304	2.8
61.94616	2.9
62.86414	2.7
67.05489	12.1
69.03442	4.1
69.07060	15.2
69.65214	2.7
71.04981	11.7
71.59316	3.8
71.59721	4.1
79.05479	8.2
81.07040	25.0
83.04952	5.5
83.08601	4.9
85.06536	4.7
91.05473	6.5
93.07017	16.2
95.04961	3.7
95.08601	41.1
97.06519	5.6
99.04482	7.6
99.08086	5.5
105.03394	2.9
105.07026	22.2
107.08593	23.1
109.06500	5.9
109.10138	22.6
113.09629	4.6
115.07556	6.6
116.00210	6.1
119.08572	61.7
121.10163	6.4
123.08009	4.8
123.11708	8.6
125.86328	3.3
133.10118	100.0
135.11674	50.6
137.09601	6.3
147.11697	7.6
151.03920	3.6
151.11179	4.0
155.10669	4.0
167.07045	8.9
175.14815	92.9
193.15858	9.5
211.07536	7.4
211.11275	6.4
211.15024	5.4
211.17003	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.71084	1.0
51.82777	1.1
53.03941	1.9
55.05514	11.8
57.02879	1.0
57.03424	2.3
57.07066	3.2
59.04986	3.4
67.05161	1.9
67.05502	27.9
69.03425	16.2
69.06776	1.3
69.07065	16.1
69.54193	9.0
71.04974	5.1
71.08628	1.4
79.05478	6.1
81.03413	2.5
81.07053	29.3
83.04980	10.9
83.08612	10.8
85.06532	5.6
91.05471	6.0
93.07030	14.4
95.04951	4.8
95.08602	56.8
97.02881	11.3
97.06519	2.0
97.10159	2.8
98.21471	2.1
99.08080	4.9
101.34710	1.0
105.07035	8.7
107.04976	1.3
107.07871	1.9
107.08589	27.4
109.06518	12.2
109.10148	100.0
111.08076	5.3
113.09658	1.9
115.07571	1.6
119.08570	21.9
121.10144	13.1
123.04445	2.5
123.08070	13.8
123.11694	12.9
125.09595	2.4
133.10138	19.9
135.11684	66.0
137.09610	20.5
139.11168	3.3
147.11630	2.3
149.13217	5.7
151.07530	1.5
151.11174	12.5
151.14799	11.6
153.12711	3.7
163.14789	3.5
165.16341	3.5
167.07083	5.9
175.14821	23.4
179.07005	4.6
193.15871	23.8
211.05937	1.5
211.14993	1.4
211.16885	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05505	16.5
56.60615	1.6
56.96555	2.3
57.03425	4.1
57.07066	5.2
59.05001	10.5
59.95655	1.6
67.05493	19.7
69.03419	7.0
69.07058	27.0
69.54906	12.4
71.04985	44.4
71.27916	1.5
79.05492	9.8
81.06573	3.0
81.07049	41.4
83.04961	7.1
83.08620	16.6
85.06535	10.5
91.05460	4.9
93.07040	37.4
95.04958	5.9
95.08604	52.9
97.06532	20.1
97.10195	2.1
99.04434	8.1
99.08101	9.2
103.68517	1.7
105.07026	13.2
107.07872	2.0
107.08586	34.3
109.06498	7.1
109.10148	45.1
111.08073	7.5
113.09661	3.3
115.07563	11.8
116.52098	1.6
119.08585	28.6
121.10130	27.8
123.04458	2.8
123.08056	7.6
123.10805	3.6
123.11698	65.1
125.09626	9.9
127.07571	4.7
133.10118	26.4
135.11679	77.6
137.05898	1.9
137.09605	16.0
137.13272	4.2
141.09160	3.8
141.12733	5.6
143.43687	1.8
147.11682	7.7
149.13254	15.3
151.11192	4.4
151.14833	3.9
153.12746	14.4
155.10652	11.3
167.07019	15.9
167.14337	2.7
175.14812	47.2
179.07120	3.1
181.08598	1.8
193.15875	22.4
197.05688	2.3
211.07556	2.3
211.16917	100.0
212.17395	2.1
228.51990	1.8
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	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05298	0.9
55.05508	10.3
57.03419	3.8
57.07059	1.9
59.04990	2.6
63.65047	0.9
67.05500	18.0
69.03424	12.6
69.07059	11.9
69.36487	3.9
69.36911	5.4
69.58413	0.9
71.04988	8.5
79.05483	7.2
81.03374	0.9
81.07051	23.9
83.04974	2.0
83.08616	9.2
83.79807	1.0
85.02912	1.5
85.06531	3.2
91.05473	4.6
93.07040	13.3
95.04930	2.1
95.08600	100.0
96.08945	1.1
97.02880	7.2
97.06522	4.5
97.10143	2.8
98.18324	1.1
99.04446	2.9
99.08085	1.3
101.06001	3.2
105.07022	7.0
107.04891	1.0
107.08590	15.6
109.06528	2.7
109.10146	28.5
110.42217	1.1
111.04422	0.9
111.08082	2.8
115.07554	8.1
119.08576	10.2
121.10142	10.4
123.04433	2.2
123.08077	2.7
123.11701	12.6
125.09613	2.7
133.10124	11.6
135.11679	21.2
137.09576	6.8
137.13268	1.4
139.11115	5.6
141.12738	1.0
143.03455	2.0
147.11681	3.2
149.13203	5.1
151.03984	1.2
151.11124	1.6
153.12712	2.1
162.26965	0.9
163.14807	16.1
165.16356	2.7
167.06990	4.7
175.14815	21.0
176.15181	1.0
179.07010	1.4
181.15857	3.4
193.15878	20.1
211.05937	2.0
211.16927	47.2
212.17163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.11405	3.0
55.01857	10.7
55.05507	30.7
56.96560	18.0
57.03423	11.5
57.07067	8.0
58.68323	2.7
59.04988	7.9
61.74256	3.2
66.78985	3.0
67.05500	55.4
69.03421	33.4
69.07063	45.3
69.96968	19.0
71.04990	23.2
79.05491	27.6
81.03404	9.3
81.07055	82.4
83.04980	24.8
83.08638	16.3
85.02895	5.6
85.06532	17.9
88.24564	3.0
91.05482	38.2
93.07043	66.6
94.06556	9.1
95.04968	41.8
95.08602	77.1
97.02858	3.7
97.06523	13.9
97.10170	10.3
99.04447	10.8
99.08091	39.2
105.03367	5.4
105.07035	57.4
107.04955	5.4
107.08588	75.4
109.02876	5.0
109.06496	24.1
109.10147	78.3
111.08080	20.5
113.06011	4.8
113.09681	4.7
116.06464	3.2
116.98636	8.7
119.06065	12.1
119.08575	84.9
121.06471	8.8
121.10136	36.8
123.04411	12.8
123.08074	22.1
123.11702	62.4
125.09615	82.9
127.07589	3.9
129.07018	4.3
131.08571	9.2
133.06496	6.8
133.10121	100.0
135.11693	64.1
137.05975	9.1
137.09628	33.3
141.09128	6.0
147.08029	3.9
147.11676	29.3
149.02344	7.4
149.05908	6.3
149.09593	5.6
149.13290	10.3
151.03853	4.8
151.07570	7.0
151.11169	10.7
151.14865	6.7
153.12682	4.5
155.08601	3.6
155.10661	13.5
157.10159	4.2
163.14790	15.5
165.09096	5.7
165.12819	5.4
165.16397	5.5
167.07039	40.5
168.09335	3.6
175.11160	4.6
175.14818	87.0
179.03380	4.1
179.07048	7.1
181.08583	5.1
193.02614	3.8
193.05049	4.2
193.08514	4.5
193.12234	12.3
193.15887	57.2
198.14122	3.3
211.05904	5.2
211.07625	10.4
211.09566	3.8
211.13313	10.8
211.16920	49.0
212.09032	3.3
212.11729	18.3
231.38994	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01865	6.7
55.05262	3.8
55.05510	44.6
56.96562	9.0
57.03431	10.3
57.07077	9.6
58.31251	2.5
59.04996	5.9
61.78968	2.5
65.03931	2.9
67.05503	45.1
69.03075	3.1
69.03429	47.9
69.07065	43.1
69.29900	33.9
70.06594	3.8
71.04992	18.1
76.34267	2.6
79.05480	29.8
81.03407	7.1
81.07052	73.8
83.04982	25.1
83.08614	18.1
85.02895	7.6
85.06526	14.0
91.05475	29.7
93.07033	58.8
95.04965	26.6
95.08598	72.8
97.06527	11.3
97.10150	8.1
98.97573	2.9
99.04445	8.9
99.08094	21.4
100.08479	3.3
103.05431	3.1
105.07030	51.4
107.04997	4.1
107.08588	68.1
108.08912	3.0
109.02929	3.5
109.06485	21.3
109.10152	80.9
110.10462	3.5
111.04433	4.3
111.08086	18.9
113.06018	4.7
113.09654	4.9
117.06993	2.7
119.04943	6.0
119.06071	3.2
119.08580	83.8
121.06518	6.9
121.10146	29.6
123.04433	31.2
123.08057	19.1
123.11683	26.2
125.09621	100.0
127.07539	3.8
131.08560	6.3
133.06557	6.1
133.10121	64.8
135.08078	5.5
135.11685	62.3
137.05946	6.6
137.09601	25.8
139.11185	4.4
147.04399	4.7
147.08005	6.0
147.11684	16.9
149.05980	11.6
149.13246	13.7
150.06749	3.1
150.77562	2.6
151.03896	3.9
151.07558	21.0
151.11180	17.9
151.14809	6.7
155.07022	3.6
155.10652	7.9
163.11201	5.6
163.14835	15.2
165.01871	2.7
165.09129	7.9
165.11014	8.0
165.12656	5.5
165.16431	7.2
167.07022	52.2
167.14297	4.8
175.11263	5.8
175.14833	60.2
178.63921	2.7
179.07039	69.8
181.08585	5.9
183.08119	2.8
191.06438	4.9
193.04915	3.5
193.08624	8.5
193.12259	7.9
193.15923	37.9
211.04089	4.8
211.05852	4.3
211.07568	8.2
211.09624	20.5
211.11420	5.4
211.13261	7.3
211.16888	31.1
211.18942	9.9
212.11812	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03951	1.4
55.01867	20.4
55.05507	15.4
56.96563	1.9
57.03439	2.7
57.07072	2.3
59.04993	0.6
65.03933	1.2
67.05499	33.9
69.03431	1.7
69.07063	21.1
71.04990	5.1
71.12688	1.3
73.06553	0.7
77.03914	0.8
79.05487	19.2
81.03413	1.2
81.07051	100.0
83.04975	8.0
83.08611	9.5
85.02909	0.6
85.06539	7.5
87.04475	1.1
90.17741	0.5
91.05476	37.3
93.07043	17.6
95.04962	5.1
95.08603	22.8
96.21770	0.5
97.02872	0.9
97.06522	10.2
97.10159	1.0
97.99199	0.6
99.08070	3.1
101.06000	1.3
105.07024	42.5
107.04927	1.3
107.08585	14.0
109.06516	9.2
109.10136	3.7
111.08082	0.9
113.05975	2.5
115.07578	0.7
116.00219	0.6
117.06992	0.6
119.08574	36.4
121.10140	24.6
123.04454	0.7
123.08067	5.2
123.11699	30.2
125.05996	1.1
127.07576	2.5
129.06999	3.8
131.08557	4.1
133.06476	0.8
133.10126	17.8
135.11736	0.8
137.06004	0.6
137.09549	1.2
137.13234	2.0
141.09033	0.8
142.07768	1.2
145.10042	0.6
147.11678	67.5
148.11987	1.0
149.09628	1.9
149.13261	0.7
151.07578	1.0
151.11201	1.1
155.08594	0.6
157.10127	9.2
165.12747	14.6
167.06992	2.3
169.10132	0.5
175.11157	9.5
177.01506	0.5
193.12224	9.3
211.07549	0.9
211.09476	0.6
211.11348	1.0
211.13292	4.9
211.15001	0.8
211.16853	0.5
229.14381	1.0
234.08907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03919	3.5
55.01860	7.3
55.05505	41.8
56.96562	5.9
57.03430	10.5
57.07069	5.7
59.04972	3.0
65.03902	1.3
67.05496	36.2
69.03421	15.2
69.07063	18.3
70.96162	2.4
71.01356	1.1
71.04983	15.8
71.08598	1.4
73.06551	1.0
73.75221	0.9
79.05485	33.6
81.03410	100.0
81.07046	50.4
83.04974	48.8
83.08609	42.0
85.02869	1.4
85.06139	0.8
85.06530	7.0
91.05470	35.9
93.07037	26.9
95.04961	37.4
95.08598	25.2
97.02874	4.7
97.06505	6.0
97.10147	9.5
99.04401	2.8
99.08095	4.4
100.65103	0.9
103.05430	1.4
105.07019	28.2
106.04118	1.4
107.04943	6.6
107.08587	19.2
109.02857	0.9
109.06490	9.3
109.10143	22.0
111.04383	4.1
111.07248	1.2
111.08064	20.2
113.05958	1.8
113.09579	1.6
115.05390	3.4
116.00155	2.2
117.06962	1.3
119.04888	2.2
119.08562	24.5
121.06496	4.7
121.10131	16.5
123.04402	5.6
123.08063	8.0
123.10970	0.9
123.11697	13.2
125.09614	6.1
127.07483	1.4
127.11111	1.1
128.06129	1.3
129.06981	13.3
131.08556	12.0
133.06482	5.6
133.10115	18.8
135.07962	0.9
135.11678	10.7
137.05997	6.4
137.09619	8.6
137.13191	2.7
139.07562	1.2
142.07719	2.8
142.76288	1.1
145.10023	1.7
147.04218	1.0
147.08040	4.9
147.11679	18.8
149.05887	3.8
149.09583	6.4
149.13153	2.1
151.03845	1.7
151.07487	2.6
151.11116	3.1
151.14713	1.8
152.04529	1.2
153.12682	1.5
155.08435	2.5
157.08969	1.4
157.10117	17.7
164.82353	1.0
165.05403	1.9
165.06818	1.4
165.09039	2.0
165.12691	7.2
165.16310	1.4
167.05650	1.8
167.07027	28.3
169.10066	1.8
175.09750	1.4
175.11166	20.6
175.14784	10.0
179.07082	8.3
181.08531	1.9
182.07185	1.4
183.11583	2.0
193.12222	66.5
193.15839	10.4
211.05704	1.5
211.07765	4.6
211.09482	2.5
211.11160	3.5
211.13168	32.0
211.14781	2.8
211.16479	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	211.1325
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03952	0.9
55.01885	0.5
55.05508	5.4
57.03448	1.6
57.07076	3.6
67.05496	12.4
69.03405	2.9
69.07059	20.4
71.04987	8.0
71.05361	0.7
71.08624	0.6
71.58644	1.0
79.05486	8.0
81.03426	1.1
81.07050	21.4
83.04980	5.3
83.08618	2.3
85.06534	7.1
91.04890	1.1
91.05470	20.0
93.07034	20.9
95.04958	10.8
95.08593	8.0
97.06534	2.0
98.97556	0.7
99.04451	1.7
99.08086	1.4
105.07022	25.3
107.04919	0.8
107.08581	11.3
109.06506	22.0
109.10150	10.8
110.10513	0.5
111.04455	0.7
111.08077	2.1
113.05978	2.3
115.07568	1.1
117.06994	1.2
119.04938	0.7
119.08566	11.5
119.09352	0.9
121.06496	1.6
121.10114	3.7
123.04418	1.7
123.08048	2.9
123.11684	4.5
124.05062	0.5
125.05984	1.4
125.09608	1.7
127.07544	3.1
129.06961	0.7
131.08553	6.1
133.10115	100.0
134.10461	1.2
135.08003	1.0
135.11649	3.0
137.05960	8.6
137.09608	1.9
137.13235	1.1
141.05409	1.2
143.07045	0.8
147.11670	20.8
149.05965	1.0
149.09613	2.0
149.13246	1.8
151.07533	3.8
151.11165	61.8
152.11481	0.5
153.07004	1.1
155.07013	15.9
155.08397	1.0
155.10606	0.8
157.10123	1.6
165.12729	4.5
165.16452	0.6
167.07063	5.7
167.08411	1.0
168.09145	1.0
169.08578	0.8
169.12256	0.5
175.11165	8.7
175.14752	5.8
181.06340	0.6
181.08563	1.6
183.11635	0.6
193.05046	0.8
193.08580	0.7
193.10387	1.2
193.12225	24.1
193.15924	3.0
196.08804	1.1
211.07567	0.9
211.11159	2.8
211.13232	21.6
211.16524	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1116
Annotation	Linderazulene
Peak:m/z	Relative Intensity
55.01870	1.4
55.05506	0.8
55.15823	0.2
56.96560	2.6
57.07064	0.3
58.54055	0.2
59.04993	0.2
67.05495	0.5
67.76740	0.2
69.07048	0.5
70.34777	0.4
70.35159	0.5
71.05012	0.2
79.05486	0.4
81.03416	0.5
81.07059	1.0
83.04961	0.3
83.08618	0.3
84.96027	0.7
91.05472	0.8
93.07034	0.6
95.04961	0.4
95.08607	0.7
97.99177	0.6
105.07005	0.4
107.08586	0.3
109.06493	0.2
109.10152	0.7
115.05444	1.0
116.00186	0.9
119.08568	1.4
121.10152	0.2
123.08081	0.3
128.06207	0.6
129.06970	1.4
133.10110	0.4
135.11568	0.2
137.09625	0.3
141.06970	6.5
142.07748	0.6
143.08563	0.4
145.06448	0.3
147.11653	0.4
152.06163	0.4
153.06982	9.8
154.07761	27.0
155.08539	55.2
156.08917	0.7
157.06497	0.2
165.06999	4.9
166.07686	0.4
167.07057	0.6
167.08577	1.2
168.05664	0.3
168.09328	2.7
168.10640	0.3
169.06473	5.4
169.10126	3.8
175.11075	0.2
175.14809	0.3
178.07758	4.2
181.06470	16.5
181.09932	1.2
182.07259	42.5
183.08047	15.8
183.11671	29.8
184.11960	0.6
193.10121	12.7
193.11996	0.4
193.15828	0.3
194.07317	0.2
194.10510	0.2
195.08015	0.3
196.08806	2.1
209.09570	1.5
211.11157	100.0
212.11531	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	2.1
55.05506	2.8
56.96556	0.9
57.03424	1.2
57.07063	1.0
59.04994	0.9
62.67772	0.4
65.03928	1.5
67.05500	7.1
68.99770	0.6
69.03420	1.2
69.07058	3.2
69.87775	0.4
71.04988	5.5
71.08665	0.4
71.60137	0.7
73.02901	0.4
73.34536	0.4
78.04704	0.6
79.05498	6.4
81.03407	2.0
81.07056	8.6
83.04972	2.1
83.08607	2.2
85.02900	0.5
85.06537	1.3
90.03453	0.7
90.17530	0.4
91.05472	8.1
93.07044	6.7
95.04963	7.7
95.08600	10.5
97.06522	3.0
97.10181	0.8
99.04454	1.3
99.08067	1.3
103.05438	2.5
105.03391	0.8
105.04533	0.4
105.07024	9.3
107.04950	1.9
107.08589	5.1
108.05717	0.8
109.02874	1.1
109.06518	2.7
109.10155	6.4
110.03642	1.9
111.04433	1.1
111.08084	1.2
113.05948	0.5
113.09656	0.5
115.05424	0.8
115.07513	1.3
117.07008	0.8
118.04137	1.4
119.04936	5.3
119.08550	4.2
120.05731	0.7
121.02834	0.5
121.06500	3.2
121.10138	3.3
122.07220	0.5
123.04422	46.1
123.08052	4.3
123.11694	5.8
124.05160	0.4
125.09629	1.7
127.01399	0.4
128.00764	35.8
129.01390	0.5
131.08588	0.4
133.06480	4.9
133.10123	4.8
135.04395	0.9
135.08047	1.2
135.11685	6.6
136.05197	0.9
137.02313	0.4
137.05978	5.0
137.09613	2.2
141.07080	0.5
141.09195	0.6
141.12689	0.6
143.08542	0.5
146.01833	0.6
147.04401	4.6
147.11691	1.8
149.05991	4.6
149.13193	1.0
150.06709	2.7
151.03908	3.8
151.07533	25.8
151.11166	2.1
151.14871	0.6
152.07855	0.6
153.05420	0.5
153.06934	0.9
153.08075	0.5
153.12759	0.9
155.08495	0.8
155.10641	0.8
157.10037	0.4
161.05890	0.6
161.07112	1.2
163.14813	0.6
164.04718	0.7
165.05524	0.8
165.06876	0.4
165.09140	2.2
165.12726	1.4
166.06326	0.6
167.07042	18.0
168.09354	0.9
169.10112	0.7
170.02924	1.7
175.11244	0.9
175.14828	5.5
178.06242	0.5
179.07025	100.0
180.07497	1.6
181.06479	1.0
181.08614	3.3
183.07985	0.6
183.11719	1.6
193.08589	7.8
193.10258	0.7
193.12219	1.9
193.15883	4.7
194.03014	0.8
196.08862	1.6
199.46643	0.5
211.05656	7.8
211.07564	0.6
211.09637	16.2
211.11255	3.4
211.13118	0.7
211.15028	0.8
211.16901	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	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03942	2.2
55.01870	1.9
55.05506	1.9
56.04978	0.4
56.96559	5.8
57.03433	2.5
57.07069	0.6
59.04973	0.5
60.04503	0.4
61.02919	0.6
61.84041	0.4
62.06236	0.4
63.08128	0.4
65.03931	0.9
67.05519	2.5
67.05849	0.6
68.72418	0.4
68.99786	0.7
69.03434	1.8
69.03760	0.4
69.07045	1.4
70.06592	0.8
70.22395	0.4
70.76719	1.3
71.01379	0.5
71.04980	1.6
73.02922	1.9
74.97594	0.4
77.03938	0.4
77.20904	0.4
78.04709	2.6
79.05489	3.4
81.03412	3.3
81.07050	3.0
82.06588	0.6
83.04977	2.0
83.08617	1.0
84.04484	0.4
85.02898	3.3
85.06538	0.8
85.42478	0.4
91.05474	12.0
93.07037	11.6
94.04176	0.4
95.04958	5.8
95.06052	0.7
95.08597	2.8
96.05742	0.4
97.02890	3.1
97.06498	0.9
97.07658	0.4
98.97563	2.1
99.04440	0.9
99.08097	0.5
103.05464	8.4
105.03383	1.0
105.04486	0.7
105.07014	4.2
106.04163	1.7
107.04968	1.8
107.08584	1.2
109.02878	2.7
109.06489	2.0
109.07662	1.0
109.10128	1.9
111.04435	1.0
111.08069	0.9
115.05470	0.5
116.00219	0.8
116.98617	1.7
119.01861	0.8
119.04949	1.3
119.08565	2.1
121.02869	0.7
121.06499	17.6
121.10122	0.9
123.04419	10.3
123.08051	1.2
123.08957	0.4
123.11655	0.5
124.05224	2.7
125.05951	0.4
125.07166	0.4
127.03925	0.8
128.02295	0.5
128.98624	0.9
129.07057	0.5
131.01860	0.4
131.06035	0.7
133.02844	1.1
133.06448	3.0
133.10117	1.2
134.01169	0.4
134.03642	0.6
134.99657	1.5
135.04411	1.0
135.08000	0.7
135.11668	1.1
137.06010	3.4
137.09601	0.7
146.99640	1.3
147.04350	0.7
147.08012	0.7
148.05215	0.4
149.02322	0.9
149.05971	31.5
151.03877	4.3
151.07521	1.3
151.11246	0.6
152.04692	2.0
152.07109	0.7
153.05455	0.5
155.04611	0.5
155.07024	0.4
155.08514	0.6
158.99687	0.8
159.23517	0.4
161.01160	0.5
161.02847	0.5
161.05954	4.1
162.05376	0.5
163.97714	0.5
164.05032	0.4
165.05504	2.9
165.09097	1.1
165.11078	1.1
165.12671	0.5
166.02600	0.5
166.05020	0.7
166.06253	6.5
166.08568	0.5
167.07027	100.0
168.07347	1.1
169.04927	1.1
175.07497	0.5
175.14793	0.5
177.00697	1.1
179.03358	1.5
180.07816	2.2
181.08588	32.1
182.08864	0.6
183.06517	0.5
189.00673	1.0
193.04953	1.7
193.08594	1.7
193.12234	0.9
193.15918	0.5
194.04500	0.8
196.01862	0.4
200.05978	0.4
205.89026	0.4
205.98831	1.1
211.05956	1.3
211.07570	1.2
211.09546	8.6
211.11317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00014	0.4
53.03948	0.7
55.01866	3.2
55.05502	0.7
56.02198	1.0
56.05027	3.1
56.96558	8.6
58.06330	0.7
58.06592	7.2
60.04504	0.6
65.03927	0.4
67.05492	1.2
70.06586	15.1
72.04509	0.8
77.03915	0.8
78.04685	0.5
79.05103	0.4
79.05495	2.6
79.63506	0.5
80.05000	0.5
80.05827	0.9
81.07050	1.0
82.06576	1.0
84.04504	1.5
86.02084	0.5
86.06039	0.5
88.07622	1.6
88.54674	0.4
89.05926	0.4
91.05469	4.7
91.78214	0.4
92.05787	2.3
93.03435	0.8
93.07034	3.8
94.00728	0.4
94.03731	0.7
94.07343	1.2
95.04967	3.3
95.08586	0.9
96.05289	1.2
98.02068	0.4
100.03986	0.9
101.00771	1.2
102.21277	0.4
103.05460	11.4
103.60257	0.4
104.05744	3.6
105.03385	1.4
105.04556	0.6
105.07032	1.9
106.04190	1.1
107.02557	2.8
107.04372	0.9
107.04943	1.9
107.08585	0.5
107.52701	2.6
108.02360	0.5
108.08855	0.5
109.06502	1.3
109.10177	0.6
110.06845	1.0
110.10464	0.6
112.01753	2.2
112.51965	1.0
115.02222	0.4
116.03085	6.7
116.53262	3.8
117.94228	0.4
118.02751	0.7
118.53374	1.0
118.54295	0.4
119.04938	1.9
119.08568	1.7
120.05784	0.5
121.02294	14.7
121.06493	17.5
121.52467	9.4
122.02028	0.9
122.06030	0.6
122.06829	5.7
123.04414	100.0
123.52609	0.6
124.04691	1.1
125.04706	0.5
126.06326	0.7
128.06250	0.5
129.06992	0.7
130.02798	5.0
130.52991	3.0
131.04929	5.8
132.05264	1.6
132.53053	3.2
133.03267	1.7
133.06471	1.2
134.09587	0.6
135.04385	1.0
137.05968	2.1
139.03911	1.5
146.09636	0.5
147.04375	0.7
147.08061	0.9
149.05969	16.7
150.06303	5.2
150.09091	1.0
151.06305	2.0
151.07549	3.3
153.05466	0.9
153.09084	0.5
154.09459	0.9
154.53683	0.5
158.04961	0.8
158.55083	1.1
163.04010	0.5
163.54259	2.2
163.97704	0.5
164.10687	0.6
165.12738	0.4
166.08647	1.9
167.07034	3.0
167.55537	0.6
168.53510	0.8
171.80643	0.4
172.04591	2.6
172.54799	7.3
173.04922	0.8
174.04269	0.5
175.05112	0.6
175.07462	1.1
177.02254	0.5
177.03816	1.5
177.53989	4.4
178.05812	2.0
182.09041	0.9
182.15359	0.7
184.05615	1.2
186.04366	1.9
186.54546	6.5
187.02898	0.4
187.04646	1.4
188.54617	0.8
189.04741	0.7
189.54982	0.6
192.10141	2.7
192.14658	0.8
193.01590	0.6
193.05099	0.6
193.08733	0.9
195.03276	0.8
196.03619	0.8
197.01093	0.6
197.55101	0.5
198.05315	1.7
205.01657	1.1
210.11240	23.5
210.15596	1.5
214.66501	0.4
223.02762	9.9
224.03149	6.4
225.03641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01865	4.7
55.05506	10.5
57.03437	2.8
57.07050	2.7
59.04997	3.5
63.88318	1.7
67.05497	13.4
69.03434	14.2
69.07063	23.7
69.62255	3.8
69.62669	13.4
71.04977	8.5
79.05497	12.5
81.03391	2.3
81.07056	17.7
83.04971	21.6
83.08614	5.8
85.02859	2.6
85.06535	5.5
88.56718	1.8
88.84859	1.8
91.05476	13.5
93.03402	3.7
93.07028	22.5
95.04978	12.5
95.08598	44.5
97.06526	15.8
98.21515	1.8
99.04433	3.7
99.08097	4.9
103.05504	2.2
105.07034	12.8
106.04152	6.2
107.04955	4.8
107.08591	55.2
109.06503	18.1
109.10144	27.9
111.08075	9.4
112.26395	1.7
113.05984	6.6
119.08565	9.3
121.05425	1.5
121.05700	2.3
121.06485	16.3
121.10139	37.7
123.08058	12.3
123.11710	5.2
125.05975	2.6
125.09632	15.0
131.08588	14.5
133.10121	52.2
133.11078	3.7
134.03607	3.8
135.04361	2.0
135.08078	17.1
135.11676	16.6
137.09602	10.3
139.07567	1.9
139.11166	5.4
145.10126	5.8
147.10663	2.4
147.11679	12.6
149.05959	11.2
149.09602	17.4
149.13231	27.1
151.11168	100.0
153.09116	13.8
158.10953	4.9
163.07542	2.5
163.11157	5.5
163.14835	12.8
165.12665	2.4
167.07043	5.2
167.10681	4.5
173.13252	27.8
177.05478	7.2
181.08614	2.0
191.10728	4.8
191.14291	86.7
209.04434	6.3
209.08069	11.0
209.11739	4.7
209.15361	56.5
214.07217	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05500	3.1
67.05496	2.4
69.03430	6.4
69.07053	4.1
69.59362	12.3
69.59692	2.9
79.05466	7.7
81.07050	16.1
83.08611	2.0
91.05474	7.6
93.07037	5.1
95.08598	2.5
97.06526	3.2
98.20731	1.8
105.07023	7.4
107.04980	2.4
107.08586	36.8
109.06512	14.8
109.10156	8.6
115.05468	2.3
117.07023	4.6
119.08586	4.5
121.10134	21.2
122.07272	6.1
123.08060	2.9
131.08585	3.8
133.10121	100.0
135.08055	26.6
135.11655	1.9
137.09610	88.0
147.11719	2.9
149.09457	1.7
149.13271	19.1
151.11186	3.5
158.10974	2.0
163.14825	3.4
170.22015	1.5
173.13272	7.3
181.87283	1.4
191.14265	7.7
209.15346	4.4
224.74583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01856	2.2
55.05507	30.9
57.07050	1.7
59.04979	3.2
67.05508	5.5
69.03430	6.6
69.07055	7.7
69.54878	10.3
71.04992	10.6
79.05475	5.3
81.07053	12.8
83.04977	36.7
83.08605	21.3
85.06540	3.4
91.05475	5.4
93.07041	10.4
95.04962	100.0
95.08598	14.3
97.06544	7.6
97.10150	4.0
99.04446	19.7
99.08069	2.6
103.05469	1.4
105.07018	5.2
106.04188	1.8
107.08584	24.3
109.06491	8.8
109.10148	16.8
111.08089	7.6
119.08566	3.4
121.06506	7.1
121.10143	17.7
123.08072	3.7
123.11713	6.3
125.09641	9.4
131.08554	3.5
133.10127	14.8
135.08023	5.3
135.11687	2.2
137.05922	1.7
137.09615	3.8
139.11198	2.7
145.10104	2.0
147.11710	6.2
149.05957	3.8
149.09613	6.0
149.13272	12.8
151.11171	64.1
153.09084	30.9
158.10887	3.2
163.14792	4.3
165.12746	3.2
167.14310	37.0
173.13229	10.5
177.05463	2.5
191.14287	27.5
209.08055	4.6
209.15346	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03956	1.5
54.33546	1.0
55.01863	1.9
55.05503	6.5
57.03443	1.8
57.07056	3.5
58.17384	0.9
58.23484	0.9
59.04982	3.1
67.05499	5.8
67.36829	1.0
69.03415	1.9
69.07062	6.0
70.08064	4.9
71.04993	5.4
79.05496	10.7
81.07053	28.9
83.04971	4.0
83.08621	5.8
85.06524	3.3
85.74162	0.9
89.50192	0.9
91.05473	9.2
93.07039	13.8
95.04964	26.4
95.08125	1.1
95.08618	10.7
97.06528	30.9
99.04445	6.0
99.08080	1.5
103.05460	1.3
105.07026	13.6
106.04158	2.5
107.08589	19.1
109.06516	100.0
109.10153	23.5
111.08118	4.4
113.06000	1.5
113.09634	1.6
115.07558	1.0
117.06997	1.7
119.08584	6.2
121.06486	5.8
121.09302	1.6
121.10139	22.2
123.08076	7.7
123.11700	2.6
125.05982	1.0
125.09637	3.1
126.01048	1.3
131.08554	16.6
133.10127	51.9
135.08034	13.1
135.11688	4.1
137.06041	1.0
137.09668	1.6
139.11124	1.7
143.08566	2.1
145.10083	4.4
147.11688	5.4
149.05974	3.8
149.09570	4.7
149.13229	6.5
151.11221	5.1
152.11328	1.1
153.09099	28.2
158.10876	3.1
163.11191	1.9
163.14828	7.1
165.12682	1.3
167.07036	2.5
167.14307	5.5
173.13258	25.9
182.37833	0.9
191.14301	29.5
209.08165	2.3
209.15361	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	5.9
55.01854	9.0
55.05508	94.1
57.03428	4.8
57.07061	5.4
59.04973	7.1
64.60426	2.7
67.05495	19.0
67.74838	2.5
69.03418	15.8
69.07072	17.3
70.95116	9.0
71.04963	7.6
79.05480	19.6
81.03400	3.9
81.07051	38.3
83.04976	100.0
83.08611	53.7
85.02895	4.5
85.06513	8.5
91.05462	22.4
93.03419	5.3
93.07034	38.4
95.04970	22.4
95.08595	23.7
97.06516	18.2
97.10171	13.5
103.05465	4.6
105.07023	18.8
106.04155	10.6
107.04933	5.0
107.08585	62.8
109.06520	49.0
109.10146	36.0
111.08060	14.7
114.20979	2.6
116.04063	2.7
117.06996	6.5
119.08541	9.4
121.06494	19.3
121.10130	34.6
122.85568	2.7
123.08066	20.6
123.11680	19.3
125.05956	7.5
125.09624	18.4
131.08609	13.4
133.10115	55.9
135.04308	3.6
135.08020	17.1
135.11691	10.0
137.09598	25.2
145.10109	13.2
147.11682	14.2
148.05093	3.6
149.05930	17.6
149.09619	17.8
149.13271	24.7
151.11180	62.4
153.09079	13.3
158.10858	4.6
163.07607	3.2
163.11147	11.4
163.14845	7.7
165.12755	19.8
167.06973	7.3
167.14301	94.0
173.13260	15.2
177.05482	15.8
191.06940	4.4
191.10614	9.2
191.14307	47.0
209.04388	3.5
209.08066	12.9
209.11838	5.9
209.15367	79.8
217.95541	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	1.5
55.05506	8.1
57.03414	3.5
57.07064	1.9
59.04961	1.1
61.02903	1.0
67.05493	7.4
69.03421	100.0
69.07042	3.4
70.93014	2.4
71.04983	2.5
73.26774	1.1
79.05479	8.2
81.03384	4.0
81.06582	1.5
81.07053	27.5
83.04977	5.1
83.08597	4.0
85.02875	1.3
85.06526	4.2
91.05457	5.2
93.07041	12.8
95.04941	3.3
95.08601	7.7
97.06499	2.6
99.04435	2.0
105.07026	6.8
107.08582	14.3
109.05780	1.7
109.06505	25.2
109.10143	6.2
111.08067	1.4
113.09626	1.5
117.06996	0.9
119.08570	5.1
121.06528	2.5
121.10143	15.7
123.08070	2.5
123.11694	17.2
125.09595	1.6
127.07511	3.8
131.08536	3.6
133.10126	12.7
134.94444	0.9
135.08017	6.8
135.11664	4.2
135.83893	0.8
137.09593	1.2
143.08566	1.1
145.10115	2.2
147.11667	2.8
149.09587	2.1
149.13240	4.6
151.11137	3.4
153.09058	3.7
158.10889	1.3
161.13275	2.1
163.14775	4.2
167.14291	2.5
173.13257	9.5
191.14282	29.8
209.15340	78.3
223.32903	1.0
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
53.03936	2.4
54.04174	1.2
55.01862	6.0
55.05507	86.4
57.03428	3.1
57.07071	3.4
59.04985	5.1
59.18755	1.3
59.26345	1.2
65.03924	2.1
67.05497	13.3
69.03424	12.0
69.07050	10.3
70.87527	2.8
70.87878	2.3
71.04974	5.4
71.45644	1.2
79.05489	9.2
81.07048	21.1
83.04974	100.0
83.08611	52.9
85.02910	2.1
85.06524	4.9
91.05471	12.4
93.03367	2.6
93.07034	22.4
95.04962	36.8
95.08601	13.9
97.06516	15.3
97.10155	11.4
99.04427	5.0
99.08057	2.1
103.05446	4.6
105.07015	7.9
106.04161	10.1
107.04935	2.2
107.08583	33.3
109.06505	29.7
109.09454	2.2
109.10152	33.6
111.04462	1.4
111.08060	14.0
113.09663	3.3
119.08556	5.2
121.06479	13.1
121.10136	45.6
123.07184	1.2
123.08064	4.5
123.11709	12.8
125.05954	2.9
125.09621	17.2
131.04922	2.7
131.08551	5.3
133.10118	18.1
134.03639	1.9
135.04361	1.4
135.08034	7.0
135.11617	2.6
138.06750	2.2
145.02904	1.7
145.10139	2.2
148.05118	1.6
149.05951	16.6
149.09615	4.0
149.13246	10.9
151.11165	59.6
153.09125	14.6
158.10854	2.2
163.07539	2.2
163.11099	2.8
163.14801	11.0
167.07042	3.0
167.14307	91.5
173.13284	9.0
177.05446	13.3
181.08614	2.6
191.06999	1.9
191.14276	12.3
209.08035	6.9
209.09807	1.9
209.15356	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	3.5
55.01860	4.0
55.05505	92.3
57.03422	3.7
57.07065	3.9
59.04987	5.2
67.05499	16.8
69.03416	22.1
69.07067	11.1
70.09785	10.5
71.04972	8.3
75.65652	2.1
79.05479	12.4
81.07037	23.9
83.04971	100.0
83.08612	58.0
83.89638	2.0
85.06518	8.2
85.32278	2.0
91.05466	12.9
93.07030	34.6
95.04960	55.5
95.08595	20.1
97.06501	9.0
97.10168	12.4
99.04429	9.1
105.07005	14.9
107.08585	45.9
108.70958	1.9
109.06502	37.6
109.10141	29.6
111.08027	11.5
113.09604	3.4
119.08553	7.5
121.10130	95.7
123.08025	7.6
123.11669	17.8
125.09628	16.1
131.05002	2.0
131.08514	7.1
133.10103	20.9
135.08072	10.2
135.11684	4.3
137.09595	2.9
143.08548	2.4
144.41388	2.3
145.10091	4.3
147.11696	3.7
149.05960	3.1
149.09647	4.3
149.13237	14.7
151.11166	59.0
153.05531	2.2
153.09082	19.5
158.10834	3.3
160.51219	2.2
163.03827	2.2
163.14818	16.4
167.14290	93.6
173.13199	13.1
177.05455	3.8
191.14253	27.4
209.07993	2.5
209.15340	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03926	5.4
53.94653	1.5
55.01869	10.0
55.05507	18.6
57.03416	5.3
57.07056	4.6
59.04991	2.7
65.03922	3.6
66.04681	1.5
67.05498	13.4
69.03423	13.3
69.07064	19.7
69.61757	11.7
71.04986	23.6
75.04485	1.8
78.04695	3.1
79.05488	42.4
81.03397	1.8
81.07056	19.8
83.04970	19.1
83.08612	8.1
85.02909	3.6
85.06518	4.9
87.04406	1.8
91.05466	34.3
93.03401	9.7
93.06466	3.1
93.07038	50.6
95.04960	27.7
95.08598	8.6
97.06537	17.3
97.10165	3.9
98.73698	1.3
99.04458	6.7
103.05462	8.2
104.22685	1.5
105.07021	35.2
106.04147	17.7
107.04272	2.1
107.04948	20.9
107.08588	61.9
109.06508	40.2
109.10140	11.2
111.04433	4.5
111.08059	5.7
113.05972	1.8
116.06219	2.1
117.03438	1.7
117.07050	8.3
119.04894	1.9
119.08580	11.2
120.07074	1.4
121.06499	52.8
121.09306	2.6
121.10137	41.2
123.04390	2.8
123.08064	9.8
123.11675	4.5
125.05962	11.9
125.09621	12.2
129.06984	4.8
130.07787	2.5
131.04890	5.2
131.08556	100.0
132.08875	1.6
133.06473	1.9
133.09406	1.3
133.10144	13.1
134.03616	4.4
135.04402	4.4
135.08028	10.1
135.11667	7.2
137.05948	4.5
138.06723	5.0
139.07532	4.5
141.05386	2.6
145.02826	2.2
145.09018	3.1
145.10103	35.4
147.04445	2.0
147.08029	5.1
147.11684	4.8
148.05150	4.0
149.04922	2.7
149.05986	31.6
149.09607	83.5
149.13269	3.7
150.03159	1.6
151.07532	3.1
151.11143	9.8
153.05457	12.4
153.09081	19.2
155.06926	2.7
159.04372	2.4
163.07492	5.5
163.11166	32.5
163.14795	4.1
165.09082	6.0
166.06194	1.9
167.07068	10.7
167.10677	6.5
167.14297	7.0
173.09573	2.7
173.13229	9.6
177.05476	21.7
181.08545	5.8
181.12169	1.5
181.15804	1.9
191.07048	3.9
191.10658	36.0
191.12387	2.5
191.12741	1.7
191.14278	17.2
209.04381	3.5
209.08156	12.7
209.11710	65.3
209.15308	26.0
217.33418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01867	6.6
55.05508	9.1
57.03417	4.1
57.07066	1.7
65.03950	2.2
67.05505	9.5
69.03417	4.2
69.07066	19.6
69.85458	4.6
69.85870	2.3
71.04994	22.8
74.62463	1.0
79.05492	44.8
81.03423	1.3
81.07059	11.9
83.04974	10.3
83.08620	1.4
85.02899	2.1
85.06530	2.5
91.05480	25.3
93.03394	1.5
93.06461	2.2
93.07037	38.7
95.04968	14.2
95.08588	4.6
97.06536	7.5
97.10173	1.2
98.20834	1.9
99.04443	7.6
103.05464	3.0
105.07022	27.0
106.04179	2.7
107.04955	16.3
107.08591	56.9
109.06512	29.3
109.10162	4.3
111.04426	2.4
111.08071	3.3
116.06241	2.5
117.07026	7.1
119.08600	8.0
121.06503	38.9
121.09305	2.1
121.10141	31.0
121.11025	1.7
122.06903	0.9
123.04478	1.1
123.08051	8.4
125.05992	6.8
125.09619	2.9
125.31123	1.0
129.06984	4.2
130.07776	2.4
131.04887	1.9
131.08566	100.0
133.10161	6.0
135.04402	3.5
135.08040	6.8
135.11705	6.4
137.05957	2.7
137.09599	1.3
139.07549	3.6
139.11180	1.3
141.05437	2.2
143.08578	1.9
145.10126	37.7
145.11281	1.9
146.10498	1.5
147.08043	4.3
147.11671	4.1
149.05989	7.1
149.09615	77.2
149.13237	2.6
150.10043	1.1
151.07513	1.5
151.11185	4.4
153.05472	10.0
153.09079	7.4
155.07011	1.6
163.07561	1.2
163.11180	29.3
163.14792	3.0
165.09099	2.2
167.07068	8.8
167.10686	3.5
167.14288	1.6
173.09610	3.4
173.13307	4.6
177.05428	3.8
181.08542	1.2
191.10663	33.0
191.14270	8.8
209.08124	4.2
209.11731	63.1
209.15302	17.7
210.11897	1.3
216.96474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.00286	0.7
53.03942	2.0
55.01874	5.4
55.05258	1.4
55.05508	19.4
57.02968	0.6
57.03431	5.8
57.07067	2.7
59.04994	1.9
60.04519	1.3
65.03941	3.1
67.05500	11.5
67.66521	0.6
69.03072	1.0
69.03428	15.7
69.07065	20.4
69.34485	5.4
69.34911	2.0
69.80058	0.6
71.04989	22.4
79.05491	40.7
81.03422	1.8
81.07055	15.9
81.85197	0.7
83.04488	1.0
83.04976	19.9
83.08619	9.3
85.02913	1.3
85.06551	2.3
91.05472	24.2
93.03380	2.1
93.07037	48.6
95.04965	26.1
95.08608	7.6
97.06506	10.9
97.10171	2.2
99.04448	4.1
99.08082	1.1
103.05463	3.3
105.04563	0.9
105.07020	27.5
106.04162	5.5
106.06557	0.9
107.04945	18.0
107.08587	60.1
108.05245	0.9
109.06510	28.2
109.10147	7.6
111.04423	2.0
111.08056	4.0
113.06015	1.1
115.05475	1.2
116.06224	2.0
117.06992	6.6
119.08576	9.8
121.06499	39.3
121.10136	50.5
123.04389	1.0
123.08053	7.1
123.11675	3.6
125.05993	8.3
125.09660	5.8
127.07555	0.7
129.06999	4.6
130.07774	2.8
131.04924	2.0
131.08560	100.0
132.08922	1.1
133.06509	0.9
133.10120	9.2
135.04413	3.1
135.08057	9.4
135.11679	6.5
137.05984	2.4
138.06734	2.0
139.07556	2.6
139.11176	1.6
141.05429	3.4
143.08600	1.5
145.10110	36.8
147.08073	3.5
147.11644	4.4
148.05156	1.2
148.08765	0.8
149.05975	15.0
149.09607	71.2
149.13239	4.1
150.09975	1.3
151.07503	2.7
151.11166	10.5
153.05455	12.4
153.09084	13.0
155.07025	1.1
158.10963	1.0
163.07471	1.5
163.11168	26.1
163.14832	6.2
165.09151	3.4
165.12691	0.8
167.07024	8.0
167.10727	3.7
167.14319	12.9
170.30487	0.6
173.09647	2.6
173.13284	6.8
177.05478	6.0
181.08560	2.1
191.08916	1.8
191.10660	28.5
191.14296	13.9
209.04379	1.0
209.08145	4.4
209.11726	57.4
209.15295	28.1
219.22128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.94186	1.0
53.03925	1.2
55.01863	5.5
55.05504	9.2
57.03419	3.7
57.07066	1.4
58.46672	1.1
65.03928	1.1
66.46403	1.0
67.05500	8.2
69.03425	6.8
69.07066	15.9
71.02181	2.3
71.04589	1.3
71.04986	21.7
75.56076	0.9
78.04700	0.9
79.05486	40.6
81.03408	1.6
81.07041	10.0
82.54124	1.0
83.04977	11.9
83.08593	1.4
89.83669	0.9
91.05469	23.6
91.64487	0.8
93.03360	1.0
93.07037	41.2
94.07388	0.9
95.04967	9.7
95.08593	4.1
97.02913	1.0
97.06518	8.1
99.04432	1.5
103.05448	2.9
105.07021	26.1
106.04177	1.1
107.04951	17.9
107.08585	57.1
109.06499	10.6
109.10133	2.6
110.15209	0.9
111.04420	2.9
111.08056	1.7
115.05413	1.1
116.06213	3.1
116.98623	0.9
117.06999	5.9
119.04935	0.9
119.08579	9.7
121.06493	40.8
121.07363	2.2
121.10130	33.7
122.10463	1.0
123.04383	1.2
123.08049	4.3
123.11671	1.8
125.06005	7.1
125.09621	3.0
127.07646	1.1
129.06989	3.4
130.07768	3.0
131.08556	100.0
132.08896	1.6
133.06493	1.5
133.10100	3.2
135.04437	4.7
135.08067	4.7
135.11655	7.2
137.05878	1.7
137.09660	1.3
139.07477	3.3
141.05434	3.6
143.08517	1.3
145.10112	33.9
147.08026	4.4
147.11662	4.0
148.05125	1.3
149.02338	2.9
149.05981	5.4
149.09605	73.4
151.07387	1.5
151.11182	1.8
153.05450	12.6
153.09021	2.2
155.07031	1.4
163.11171	28.7
163.14804	1.5
165.09077	2.9
165.12740	1.3
166.33144	0.9
167.07024	22.4
167.10654	4.8
167.14331	2.4
168.76079	1.3
173.09602	3.4
173.13257	2.2
177.05446	3.0
191.10654	35.2
191.14252	4.6
194.02133	1.8
209.04443	13.6
209.08116	3.8
209.11713	59.0
209.15257	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	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
53.94653	1.5
55.01869	10.0
55.05507	18.6
57.03416	5.3
57.07056	4.6
59.04991	2.7
65.03922	3.6
66.04681	1.5
67.05498	13.4
69.03423	13.3
69.07064	19.7
69.61757	11.7
71.04986	23.6
75.04485	1.8
78.04695	3.1
79.05488	42.4
81.03397	1.8
81.07056	19.8
83.04970	19.1
83.08612	8.1
85.02909	3.6
85.06518	4.9
87.04406	1.8
91.05466	34.3
93.03401	9.7
93.06466	3.1
93.07038	50.6
95.04960	27.7
95.08598	8.6
97.06537	17.3
97.10165	3.9
98.73698	1.3
99.04458	6.7
103.05462	8.2
104.22685	1.5
105.07021	35.2
106.04147	17.7
107.04272	2.1
107.04948	20.9
107.08588	61.9
109.06508	40.2
109.10140	11.2
111.04433	4.5
111.08059	5.7
113.05972	1.8
116.06219	2.1
117.03438	1.7
117.07050	8.3
119.04894	1.9
119.08580	11.2
120.07074	1.4
121.06499	52.8
121.09306	2.6
121.10137	41.2
123.04390	2.8
123.08064	9.8
123.11675	4.5
125.05962	11.9
125.09621	12.2
129.06984	4.8
130.07787	2.5
131.04890	5.2
131.08556	100.0
132.08875	1.6
133.06473	1.9
133.09406	1.3
133.10144	13.1
134.03616	4.4
135.04402	4.4
135.08028	10.1
135.11667	7.2
137.05948	4.5
138.06723	5.0
139.07532	4.5
141.05386	2.6
145.02826	2.2
145.09018	3.1
145.10103	35.4
147.04445	2.0
147.08029	5.1
147.11684	4.8
148.05150	4.0
149.04922	2.7
149.05986	31.6
149.09607	83.5
149.13269	3.7
150.03159	1.6
151.07532	3.1
151.11143	9.8
153.05457	12.4
153.09081	19.2
155.06926	2.7
159.04372	2.4
163.07492	5.5
163.11166	32.5
163.14795	4.1
165.09082	6.0
166.06194	1.9
167.07068	10.7
167.10677	6.5
167.14297	7.0
173.09573	2.7
173.13229	9.6
177.05476	21.7
181.08545	5.8
181.12169	1.5
181.15804	1.9
191.07048	3.9
191.10658	36.0
191.12387	2.5
191.12741	1.7
191.14278	17.2
209.04381	3.5
209.08156	12.7
209.11710	65.3
209.15308	26.0
217.33418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03941	7.3
55.01662	1.2
55.01868	13.7
55.05502	2.9
57.03424	1.2
57.07074	1.4
65.03937	9.2
67.05495	6.4
69.03405	2.3
69.07047	3.0
70.16750	2.8
70.17142	2.1
71.04996	2.3
72.98764	1.1
75.04464	8.0
78.04707	8.1
79.05481	9.6
79.27692	1.2
81.03413	1.5
81.07067	6.4
83.04968	2.8
83.08604	1.4
85.02892	7.6
85.06561	1.5
89.03907	5.1
89.06034	1.6
91.05474	38.9
93.03399	25.2
93.07034	19.7
95.04961	19.8
95.08596	4.3
95.82577	0.9
97.06515	9.5
99.04479	1.2
102.04613	1.0
103.05453	20.8
105.03367	2.2
105.04504	1.6
105.07011	4.8
106.04165	68.5
107.04972	6.6
107.08613	5.6
109.06511	8.0
109.10130	3.2
111.04444	2.7
111.08060	1.5
117.03377	4.2
117.79282	1.2
118.04163	1.4
119.04937	4.2
119.08572	1.8
120.05711	1.4
121.06493	74.8
121.10122	4.8
122.07309	1.2
123.04426	2.6
123.08063	2.6
123.11675	1.2
124.05199	3.1
125.05975	19.0
125.09612	2.1
125.59428	1.4
131.04912	5.8
131.08539	1.9
133.02869	1.4
133.06419	1.8
133.10126	2.4
134.03624	10.8
135.04410	3.5
135.08060	3.7
135.11650	2.3
137.05965	10.8
138.06750	3.0
139.07529	6.0
145.02823	5.5
145.10057	1.4
148.05206	7.2
149.05965	100.0
149.09628	2.9
149.13284	2.5
150.06433	1.3
151.03908	2.5
151.07523	4.2
151.11166	2.9
152.04642	1.5
152.08325	1.6
153.05473	5.1
153.06654	1.2
153.09085	18.9
159.04355	2.4
163.07457	5.2
163.11162	1.0
165.05487	1.5
165.12827	1.6
166.06264	3.2
167.07051	6.7
173.13251	2.1
176.04680	1.8
177.05455	42.9
180.07811	1.2
181.08592	24.0
191.06964	6.2
191.10681	1.2
191.14391	5.2
192.79150	1.1
194.05766	2.5
209.06107	1.0
209.08078	25.3
209.09692	1.1
209.11644	1.8
209.15326	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.1
55.01857	2.0
55.05495	5.1
57.03421	1.8
57.07052	2.6
59.04994	2.6
65.03915	1.6
67.05499	10.1
69.03418	6.4
69.07071	6.2
69.69030	6.2
69.69442	1.8
71.04976	2.8
79.05494	7.6
81.03395	1.1
81.07057	10.9
83.04964	3.7
85.02901	17.7
85.06515	4.4
91.05476	22.9
91.89503	1.0
92.70169	1.2
93.07044	12.0
95.04961	5.8
95.08601	18.7
97.06503	2.4
103.05496	2.7
104.06240	1.5
105.07026	43.9
107.04915	4.6
107.08579	15.1
109.06510	32.8
109.10142	4.1
111.08031	1.8
115.05440	1.5
115.33506	0.9
117.07014	7.5
118.04169	1.1
119.04935	7.0
119.08575	49.6
121.06486	3.1
121.10127	22.0
123.08062	17.9
123.11687	7.3
128.06190	3.7
129.07027	4.8
130.07753	3.0
131.04903	2.0
131.08563	11.5
132.09326	2.2
133.06487	6.6
133.10135	15.8
134.81396	1.0
135.08049	2.2
135.11667	4.0
135.79565	1.0
137.09628	11.9
139.07558	1.6
141.06949	2.0
143.08548	6.5
145.06448	1.6
145.10104	15.8
146.07259	2.4
146.10855	3.2
147.04402	5.8
147.08040	13.5
147.11674	58.2
149.02330	1.8
149.09596	26.5
151.07542	9.7
156.09331	15.2
159.08060	4.1
159.11647	1.7
160.08818	2.6
161.05981	16.5
161.09624	8.1
161.13248	53.8
163.11188	10.6
165.09074	1.6
165.12747	4.3
171.11707	7.0
174.03026	1.4
174.10394	8.7
175.03949	8.1
179.06937	1.3
189.09084	4.3
189.12726	55.9
192.04184	1.4
207.06491	7.8
207.13789	100.0
208.14063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.81931	1.8
54.71893	2.0
55.05487	2.5
57.07061	6.5
58.59851	1.8
58.76002	1.9
62.13283	1.8
67.05497	24.4
69.03408	3.7
69.07041	6.7
69.31441	1.8
69.31992	20.1
69.32349	3.9
70.93238	1.8
71.04976	2.4
73.18907	2.2
79.05479	6.0
81.07063	10.0
83.04971	3.9
85.02905	36.4
85.06532	12.7
91.05463	9.8
93.07037	12.6
95.04958	4.6
95.08604	100.0
105.07028	22.3
107.08589	25.9
109.06490	7.8
109.10184	4.9
113.05995	7.3
113.26588	1.8
117.07027	2.4
119.07783	2.7
119.08585	28.0
119.09373	3.9
121.10149	20.6
121.70972	2.2
123.08053	52.3
123.11714	27.1
125.05922	3.7
129.06966	3.0
131.08525	5.7
133.06442	3.1
133.10109	5.2
135.11650	5.4
137.09576	4.1
143.08598	4.2
145.10086	5.5
147.08038	7.1
147.11685	31.1
149.08411	3.0
149.09613	59.9
151.07532	3.7
151.14821	4.4
156.09325	5.3
161.09578	2.6
161.13239	18.2
163.11147	6.5
165.12781	15.4
171.11653	8.0
174.10350	7.4
179.14227	2.5
189.12724	36.2
207.13785	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03923	1.4
53.84795	1.1
55.01853	1.9
55.05511	6.8
57.03432	2.4
57.07061	2.2
57.80327	1.1
57.95989	1.2
59.04979	4.2
65.03930	1.6
65.11400	1.4
67.05499	8.5
69.03419	9.2
69.07044	3.8
71.04985	3.2
71.11065	3.2
79.05488	9.8
81.07059	12.7
83.04978	7.7
85.02892	13.9
85.06513	2.6
91.05476	20.8
93.07042	17.9
94.80228	1.1
95.04952	4.8
95.08611	16.5
97.06516	3.7
98.97559	1.9
103.05408	2.4
105.07027	30.1
107.04917	2.4
107.08586	23.7
108.05758	1.4
109.06511	20.6
109.10140	6.7
111.08074	2.8
113.05959	1.4
116.80502	1.3
117.07004	2.7
119.04946	11.8
119.08575	32.1
120.08861	1.3
121.06496	5.4
121.10128	16.7
123.08067	31.0
123.11708	10.2
125.09595	2.0
129.06998	2.3
131.08530	6.6
133.06465	4.8
133.10129	9.7
135.08061	6.8
135.11661	5.0
137.09604	22.1
137.13235	1.6
139.07497	3.2
143.08527	3.3
145.06424	1.4
145.10117	4.9
147.04401	7.8
147.07996	10.2
147.11674	28.5
149.02359	1.7
149.09607	100.0
151.07513	6.5
153.09053	3.2
156.09309	7.6
159.11658	2.1
160.08798	1.7
161.05986	3.2
161.09586	5.6
161.13242	19.8
163.11212	3.7
165.12726	11.0
171.11696	10.2
174.10365	3.9
175.03871	7.7
177.00604	1.7
177.12675	3.8
179.14304	1.3
189.09038	1.6
189.11057	2.0
189.12737	33.1
207.04863	1.6
207.06439	7.5
207.13783	68.0
208.14101	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03921	2.2
55.01865	3.2
55.05509	10.6
57.07053	8.4
59.04983	3.7
62.42900	2.0
63.38100	1.9
65.03923	3.1
67.05498	32.8
69.03428	20.5
69.07063	10.2
69.80311	13.4
71.04974	7.7
79.05486	15.0
81.03419	2.2
81.07063	19.7
83.04970	8.3
83.08601	2.8
85.02901	12.1
85.06533	10.5
87.45094	1.8
89.03932	2.0
91.05473	35.9
93.07032	26.7
95.04966	13.6
95.08598	100.0
97.02875	1.9
97.06517	4.6
102.37353	1.8
103.05483	3.6
105.07027	56.1
107.04945	3.4
107.08587	37.6
109.06512	21.4
109.10154	14.7
111.08051	6.4
113.05978	8.9
117.06984	2.5
119.04924	19.9
119.08575	52.5
120.08155	2.1
121.06492	9.4
121.10130	34.4
123.04424	8.1
123.08059	72.8
123.11678	10.5
129.06996	4.7
131.08563	8.1
133.06479	9.1
133.10103	25.3
135.08008	3.8
135.11678	8.5
137.05954	3.7
137.09590	22.0
137.13336	2.2
143.08551	6.0
145.06467	2.1
145.10110	11.2
146.03627	2.2
147.04424	13.0
147.08002	11.8
147.11664	46.8
149.02353	3.2
149.09608	72.7
151.07524	11.2
151.14793	3.8
153.09062	3.6
156.09328	10.6
157.06496	2.3
159.08025	3.4
159.11667	3.7
161.05992	8.3
161.09610	10.7
161.13246	35.3
163.03912	2.2
163.11172	9.3
164.02631	1.8
164.04593	4.9
165.09071	5.5
165.12712	15.5
171.11621	13.1
174.06798	2.4
174.10379	7.4
175.03926	14.7
179.14218	3.3
189.09169	9.6
189.12727	50.8
192.04178	6.1
207.06470	28.2
207.10143	6.9
207.13789	98.7
207.17232	3.5
208.05995	2.1
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
53.03949	1.5
55.05508	13.0
59.04997	1.5
65.03938	2.8
67.05510	3.4
69.03429	26.5
69.07084	2.4
71.05008	0.9
71.07337	2.1
72.40443	0.7
73.11902	0.7
77.03934	1.4
79.05487	7.9
79.99874	0.7
81.07053	3.1
83.04984	2.8
85.02879	1.2
89.03922	1.7
91.05476	44.8
93.03391	1.0
93.07039	7.9
95.04971	5.0
95.08604	9.6
95.09164	1.0
97.06540	2.3
98.17258	0.9
99.05504	0.8
103.05466	2.1
104.99645	0.7
105.03418	1.1
105.07018	13.4
105.07668	1.1
107.04965	4.3
107.05592	0.8
107.08590	7.9
108.05774	1.5
109.06523	7.0
109.10187	1.3
115.05431	1.2
117.07008	3.0
118.04119	3.6
119.04940	38.4
119.08565	8.8
121.06498	58.6
121.10136	7.0
123.04507	0.9
123.08064	20.9
123.11691	1.2
125.05981	4.6
125.09629	1.9
129.03317	0.7
129.07008	2.0
130.07840	1.4
131.04938	1.7
131.08517	1.5
131.82840	0.7
132.02084	4.3
133.06487	34.7
133.10130	2.4
134.03719	0.7
135.04407	1.0
135.08063	12.8
135.11705	2.9
136.05186	1.7
137.05963	1.0
137.09622	2.8
137.13246	0.9
143.08522	1.1
145.02852	1.1
145.10136	3.3
146.03613	3.3
146.07303	1.2
147.04398	34.0
147.08040	2.7
147.11688	6.4
148.04948	1.0
148.08862	1.4
149.02345	4.4
149.09604	5.4
151.07544	5.7
153.09085	3.8
156.09277	1.3
157.03993	2.1
161.05980	14.4
161.09618	5.2
161.13261	3.4
163.03854	0.9
163.11177	100.0
164.04724	3.8
164.11578	0.8
165.12755	2.9
171.11754	1.4
174.03088	3.4
174.10420	0.9
175.03900	41.3
176.04364	0.9
177.05522	0.8
179.07002	6.9
189.09129	4.9
189.12727	10.4
192.04166	6.9
207.04539	1.2
207.06511	29.6
207.09940	2.4
207.13799	47.4
208.06898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	Scoparone
Peak:m/z	Relative Intensity
50.43278	0.7
51.60307	0.8
53.03928	1.3
55.01857	1.9
55.05508	4.1
57.07068	1.5
59.04988	0.8
61.02083	0.8
64.03121	0.9
65.03934	6.6
67.05496	7.5
69.03426	7.3
69.07046	2.8
70.63832	2.8
71.04980	1.7
77.03907	1.0
79.05486	5.5
80.06229	0.9
81.03412	1.6
81.07053	7.2
83.04946	2.0
85.02900	2.3
85.06526	1.7
88.62813	0.8
89.03894	2.9
90.04707	1.0
91.05474	87.9
93.03388	1.8
93.07046	7.5
95.04964	6.0
95.08604	10.8
97.06517	1.6
98.21461	1.1
98.69775	0.7
99.04436	1.0
103.05467	5.7
104.02591	0.9
105.03365	1.5
105.07022	11.8
106.04151	1.1
107.04971	4.1
107.08577	7.6
108.05743	4.5
109.06503	6.9
109.10146	3.0
111.04451	1.1
111.08071	1.7
115.05424	1.5
116.98572	1.0
117.07035	2.2
118.04140	7.7
119.04935	79.8
119.08568	13.6
120.05235	1.1
121.02830	3.2
121.06500	13.3
121.10136	6.0
122.07213	1.1
123.04406	3.8
123.08066	11.8
123.11681	3.2
125.05945	2.5
125.09590	1.6
128.06190	1.5
129.03360	1.1
129.06979	4.4
131.04903	2.2
131.08548	4.0
132.02054	5.1
133.02846	2.0
133.06470	7.5
133.10146	5.3
134.03601	0.8
135.04419	2.3
135.08012	2.9
135.11676	3.3
136.05183	9.3
137.06009	6.1
137.09593	3.9
137.13298	0.9
143.08591	1.6
145.02843	1.1
145.06430	2.0
145.10098	2.4
146.03638	12.1
146.07237	1.8
147.04399	68.3
147.08029	4.9
147.11690	9.4
148.05101	1.6
149.02328	20.9
149.05978	2.6
149.09595	9.6
149.13275	1.3
151.03870	1.8
151.07529	12.8
153.09091	1.3
156.09354	1.1
157.04007	4.8
157.06487	2.5
161.05978	25.4
161.09615	6.7
161.13219	4.7
162.03030	1.7
163.03859	5.9
163.07573	1.4
163.11171	11.9
164.04686	24.9
165.05171	1.2
165.09093	2.0
165.12753	3.4
171.11719	1.3
174.03136	11.1
174.06763	1.8
174.10474	1.2
175.03897	73.7
177.01823	1.5
177.05467	1.7
179.07027	22.2
179.14384	1.2
189.09091	9.1
189.12718	7.1
189.16370	3.2
191.03450	1.2
192.04164	21.7
207.06511	100.0
207.10037	4.5
207.13800	19.5
207.17273	3.9
208.06815	1.3
228.09363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01874	13.6
55.05499	4.9
56.05031	3.2
56.08071	1.6
56.15118	1.7
56.96564	100.0
57.03436	47.0
58.03773	2.5
58.06599	2.1
58.99844	1.9
59.04988	4.2
60.04513	4.9
60.95842	1.6
61.02927	45.8
62.03255	1.9
62.92516	1.5
65.03926	5.4
67.05499	12.2
69.03429	33.9
70.06594	2.1
70.98095	2.4
71.01360	9.5
71.04991	25.0
71.59229	2.6
71.95272	2.7
73.02913	40.3
74.03237	2.2
74.06058	5.0
74.97603	6.4
75.04473	4.8
76.03995	6.9
77.04347	2.3
79.05486	7.5
80.94925	2.2
81.03421	15.9
81.07047	6.6
82.06580	2.1
83.01325	3.1
83.04982	6.8
84.01575	2.1
84.04506	3.3
84.96050	10.2
85.02903	53.5
85.04824	3.2
85.06544	3.3
86.03219	3.5
86.03677	10.3
87.00819	3.2
87.04482	11.3
88.99167	2.2
89.00769	3.8
89.02391	2.8
89.03918	3.1
90.01553	8.8
91.00496	2.0
91.02322	2.6
91.03923	2.1
91.05477	65.9
92.01301	5.3
93.07030	6.3
95.01310	4.5
95.04956	5.7
95.08606	19.5
96.01555	3.9
96.41653	1.7
97.02306	2.1
97.02887	29.1
97.08444	3.0
97.96778	2.6
98.01289	6.2
98.03220	2.2
98.97579	59.5
99.02065	10.2
99.02650	3.4
99.04452	11.3
100.02452	2.6
100.05222	5.7
100.99129	9.7
101.02376	13.3
101.52297	1.9
102.01535	2.9
102.05530	2.3
103.00447	2.6
103.03933	4.0
103.05475	4.9
104.01270	6.3
105.02005	2.3
105.03405	1.7
105.07038	9.9
107.01816	3.4
107.04942	4.3
107.08590	7.6
108.05695	1.7
109.02885	12.1
109.06510	5.4
109.10162	2.7
110.01285	13.2
110.97549	7.1
111.00858	2.2
111.02042	5.7
111.04451	2.7
112.01001	5.5
112.99110	3.2
113.01778	11.4
113.02448	3.6
113.06017	2.3
114.02615	2.8
115.02423	3.3
115.03915	15.4
115.97813	2.2
116.01254	2.3
116.97798	3.5
116.98618	51.3
117.02043	5.5
118.01057	3.2
118.02819	2.2
118.04196	4.0
119.00185	12.4
119.01833	22.0
119.04939	67.4
119.05769	4.0
119.08535	9.4
120.97977	2.4
121.01585	12.5
121.06503	2.2
121.10165	1.8
121.51750	3.4
121.97581	3.8
122.02328	29.9
122.52524	2.0
123.02034	3.2
123.08064	11.5
123.11661	2.3
124.01000	1.8
125.04192	2.0
125.07957	4.1
126.02561	8.1
127.01533	3.3
127.03924	16.2
128.02301	20.7
128.52507	2.7
128.98599	18.1
129.01889	5.1
129.03166	2.3
129.05493	2.6
130.01939	2.4
131.00185	10.1
131.01839	9.1
131.03481	2.5
131.08569	3.9
132.01985	3.5
133.01595	5.1
133.03488	4.2
133.04953	4.0
133.06442	2.9
133.10124	4.5
133.53146	3.0
134.02263	1.9
134.99660	35.5
135.03085	7.4
135.04291	3.5
136.05235	3.3
137.01801	5.6
137.02869	9.2
137.05939	2.9
137.09607	2.1
139.01593	2.7
140.00171	3.3
140.02269	8.0
140.98593	2.0
141.01257	5.5
141.03053	15.1
141.05408	4.9
141.53265	3.1
142.96492	4.9
143.00159	16.9
143.01831	5.5
143.03429	5.5
143.05301	1.7
143.08655	2.5
144.02524	2.9
144.98090	3.9
145.01640	5.9
145.04942	2.2
146.02289	13.0
146.03598	5.4
146.50600	2.1
146.99658	24.2
147.01250	5.6
147.03073	9.9
147.04388	63.9
147.08064	6.9
147.11710	4.8
148.03815	3.0
149.01210	6.9
149.02533	5.8
149.06059	2.3
149.09624	8.0
150.01817	3.8
150.03592	7.7
150.98972	2.2
151.07558	6.1
152.02306	9.3
153.00708	6.3
153.03082	7.2
154.02068	6.6
155.02814	5.9
156.01790	6.6
156.03571	3.4
157.01399	8.4
157.03510	1.9
158.01253	2.4
158.03323	2.7
158.99683	10.6
159.03104	3.8
160.96179	2.4
160.97574	12.3
161.01219	62.7
161.02910	30.6
161.04384	3.4
161.05888	5.4
161.09738	4.9
161.13257	5.4
162.03532	7.8
162.99167	8.3
163.02615	7.9
163.03899	2.4
163.53160	2.3
164.03299	1.9
165.00711	14.8
165.09094	2.3
165.12769	4.8
165.96565	2.6
166.03513	2.1
167.02301	2.7
168.03510	3.6
170.03394	4.7
170.99646	5.2
171.04143	6.5
171.08470	5.8
171.11696	3.0
173.01237	6.3
173.02682	3.3
174.03026	3.7
174.53334	2.8
174.99132	4.6
175.02580	6.4
175.03899	82.0
176.51672	2.7
177.00700	22.4
177.02328	6.8
177.04048	9.8
178.04953	3.3
178.98653	6.4
179.02295	18.1
179.03944	4.0
179.05342	12.2
179.07043	7.7
180.04573	2.4
181.00191	4.6
182.03371	6.9
182.54942	3.5
182.99966	2.4
183.01776	11.8
183.97580	8.0
183.99031	2.2
184.02933	8.1
184.04625	18.9
186.04576	5.1
186.99184	2.8
188.97095	2.4
189.00740	16.6
189.02231	3.0
189.04137	7.1
189.05748	5.2
189.09399	5.7
189.12758	8.9
191.02248	7.5
191.03882	8.9
191.54013	2.1
192.04169	8.9
193.00214	6.6
195.01720	2.7
198.02901	3.7
198.04538	11.6
200.04460	4.7
201.00731	11.2
202.05522	2.2
203.04070	2.6
205.00201	5.1
205.03781	2.4
207.01678	14.0
207.04942	13.6
207.06566	49.7
207.10533	13.3
207.13771	18.6
214.98610	2.7
215.02325	1.9
216.05630	10.6
219.01744	12.0
223.01257	9.7
225.02786	6.5
227.56427	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29573	1.3
51.85607	1.0
54.50307	1.2
55.01860	3.0
55.05497	1.6
56.05032	2.6
56.96561	6.9
57.07064	4.3
59.38174	1.2
60.04513	6.3
64.23859	1.1
65.03929	2.3
67.05501	3.8
68.41990	1.4
69.03422	4.3
69.07061	2.8
70.06587	5.2
71.60677	1.4
72.04514	4.0
79.05479	6.4
80.05828	1.5
81.03430	1.9
81.07044	3.4
82.06579	5.4
85.02900	1.6
89.76650	1.2
91.05479	33.4
93.07031	4.4
95.04965	4.8
95.08610	7.1
97.02847	2.3
97.06535	1.4
100.02451	1.4
100.07614	5.0
103.05479	3.7
105.07042	8.2
107.04276	2.6
107.04964	34.4
107.05685	1.8
107.08592	2.5
108.35345	1.2
109.10125	1.6
115.05457	1.3
117.07008	6.5
118.03481	1.6
118.04196	1.4
119.01906	2.0
119.04951	14.4
119.08578	19.7
120.08126	2.4
120.08925	2.3
121.02832	2.9
121.06522	4.6
121.10168	2.5
122.03224	2.1
123.04458	2.7
123.08051	5.2
129.07025	3.3
131.04965	1.4
132.05748	2.1
132.08960	1.6
133.06490	5.3
133.10168	2.6
134.09534	1.5
135.08046	2.2
136.05208	2.2
136.07571	2.4
137.05930	3.0
140.30220	1.6
142.03491	3.7
145.06459	2.7
145.10120	1.4
146.03648	4.4
147.04410	11.4
147.08043	100.0
148.07521	3.2
149.02351	12.0
149.08348	1.4
149.09557	1.8
150.02644	7.3
150.09091	1.6
150.13593	2.1
151.07538	4.6
155.55005	1.7
160.04526	2.8
161.06004	2.3
161.09650	3.9
161.13345	2.9
162.06219	1.7
163.03935	2.7
163.11241	1.4
164.04704	10.1
164.07082	2.1
164.10693	8.0
165.07898	3.1
169.56609	1.8
171.06738	1.8
172.07634	1.3
174.03165	3.7
175.03912	7.3
176.10709	3.1
178.13106	1.4
179.07022	9.6
188.10605	1.9
189.09103	1.8
189.12766	1.6
190.08757	1.4
191.05679	2.4
191.14325	8.0
191.41472	1.2
192.04115	6.1
193.78152	1.5
206.04491	5.0
206.08093	10.8
206.11694	28.6
206.15921	1.8
206.19063	3.9
207.06503	30.9
207.08311	2.4
207.13812	4.2
207.17491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1022
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03932	2.6
55.01862	8.0
55.05495	2.7
56.05030	8.9
56.96293	1.2
56.96560	20.1
57.03429	24.5
57.05367	1.2
57.07055	1.5
58.06336	1.6
58.06594	19.1
59.04980	4.3
60.04519	13.3
61.02923	12.9
62.06080	1.0
63.35478	0.9
67.05505	5.9
68.05016	4.0
69.03072	1.3
69.03421	17.6
69.03793	1.1
69.07053	2.0
70.03763	1.0
70.06588	7.5
71.01333	3.8
71.04986	10.7
72.04485	2.8
72.08136	3.2
73.02911	25.9
74.02438	2.2
74.03254	1.4
74.06060	2.0
75.04472	2.3
75.11408	0.9
76.07613	3.2
77.00863	1.1
79.05457	1.8
80.05007	11.6
81.03413	11.7
81.07019	3.0
82.03716	1.2
82.06567	7.4
83.04975	4.9
83.06887	4.4
84.02679	0.9
84.04494	45.4
84.08117	2.4
84.96014	2.7
85.02895	23.9
85.06065	1.3
85.06537	15.5
86.03241	1.7
86.03681	8.9
86.06034	3.8
86.09692	1.7
87.04450	5.9
88.02682	1.8
90.05531	1.7
94.06541	1.8
95.01981	1.0
95.04961	2.1
96.08119	40.5
97.02291	1.2
97.02879	14.2
97.06500	1.8
98.01350	1.0
98.03196	1.6
98.06033	3.9
98.20737	1.6
98.97573	23.5
99.04449	6.2
100.02617	1.0
100.05243	5.0
100.07606	5.2
100.99126	2.7
101.00837	2.9
101.06001	3.5
102.05534	2.3
103.02361	1.7
103.03885	1.0
104.01263	1.2
105.02906	1.3
106.02828	2.0
106.06546	3.4
107.04906	1.2
109.02864	7.2
110.01213	2.2
110.06040	15.1
110.97540	2.7
111.02910	1.5
111.04448	2.1
112.99107	2.0
113.00858	0.9
113.01739	2.6
113.06013	1.0
113.07098	4.8
114.02339	1.0
114.05512	6.8
115.02403	1.9
115.03194	2.2
115.03910	2.4
116.98598	17.9
117.02033	1.5
117.02905	1.1
118.01100	3.4
118.02736	0.9
118.03620	1.9
119.00155	3.3
119.01875	16.5
120.01987	2.8
121.01609	4.0
121.03291	1.7
122.02264	1.3
122.06017	16.5
123.02923	2.0
124.03665	1.4
124.06696	1.3
124.07575	35.4
125.01771	1.3
125.03551	0.9
125.07863	1.9
126.02579	1.4
126.05476	1.5
127.03120	1.2
127.03928	4.6
128.02295	4.4
128.07063	6.0
128.98610	5.0
129.05458	1.1
129.07387	3.7
130.03664	2.0
131.00148	3.0
131.01846	6.4
132.01962	1.6
132.03494	1.3
132.04442	3.6
132.06531	1.2
133.01704	1.4
133.03461	4.8
134.05991	7.6
134.99635	8.6
135.03070	3.3
136.03700	1.3
137.02863	2.9
139.04185	1.9
140.02280	1.5
140.07051	5.5
141.03059	2.6
142.03516	4.2
142.07625	2.4
142.08621	39.6
142.10449	6.3
142.12250	16.6
143.00142	2.2
143.01880	2.7
143.08942	2.5
144.02475	1.6
144.06514	1.6
145.01613	1.2
145.03363	6.2
146.02254	1.6
146.08096	7.4
146.97197	1.2
146.99609	6.0
147.03036	2.8
147.04962	1.9
148.03851	2.6
149.01230	2.8
149.02876	3.2
151.04332	1.5
152.04955	2.0
152.07040	11.6
153.00691	1.4
153.03970	2.3
153.05470	1.3
154.03784	1.7
155.02858	2.8
157.03455	4.8
158.03645	1.2
158.08163	1.3
158.99646	4.7
159.05032	1.8
159.07655	6.6
160.02179	2.6
160.04610	4.2
160.09671	28.0
160.10938	1.8
160.13307	4.3
161.01289	6.9
161.02902	8.3
162.01762	1.1
162.03168	1.6
163.02687	2.8
163.04381	2.4
164.03311	2.4
165.00725	2.8
165.03952	1.0
169.04420	1.6
170.03317	1.3
170.08116	45.5
170.99658	1.4
171.08415	2.2
172.04701	1.8
173.01180	3.0
173.02951	4.2
175.02753	2.1
175.04497	3.2
175.54176	1.4
176.03242	2.2
176.04800	1.4
177.00737	7.5
177.04144	1.9
178.04933	18.3
178.06223	1.4
179.02219	1.4
179.03917	1.2
179.05554	1.3
181.05257	3.5
183.01756	2.4
184.04390	1.3
185.02870	4.0
185.04100	1.8
185.05444	1.4
187.04535	1.4
188.09164	32.4
188.11023	6.0
188.12564	9.3
189.00659	5.9
189.06082	1.2
191.02229	1.3
191.03946	1.5
193.00189	1.4
194.04460	7.4
194.06030	1.9
195.01773	1.1
199.04570	2.8
201.00673	5.7
201.02367	2.2
203.03967	1.6
205.03676	1.1
206.04471	12.2
206.10226	100.0
206.13799	29.9
207.01709	4.6
217.05589	2.5
219.01721	5.0
221.05154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05510	19.6
56.05033	8.3
56.49121	2.7
57.07074	13.6
58.06582	3.4
59.06116	7.5
60.41326	2.9
63.18108	2.4
65.03950	3.5
67.05508	26.0
68.02472	2.9
68.05020	6.8
69.04553	4.7
69.07064	30.2
70.06586	4.0
71.08224	6.3
79.05491	5.0
80.05011	4.9
81.03400	2.9
81.04527	5.2
81.07063	16.0
83.06091	7.1
83.08630	13.9
85.02902	2.9
85.07661	5.5
91.05480	5.7
93.07042	29.0
95.04992	3.1
95.06100	8.4
95.08046	4.5
95.08607	38.4
96.05602	3.2
97.02896	5.3
97.07661	8.9
97.10175	12.3
98.07170	8.2
105.07023	5.9
107.08572	36.8
107.09178	3.0
109.02874	4.3
109.07634	14.6
109.10152	100.0
109.10928	4.9
110.07166	10.6
111.09198	9.0
111.11726	11.5
112.08755	7.5
113.96457	4.0
119.08546	3.1
120.05619	3.0
120.88597	2.3
121.02886	10.5
121.06549	2.8
121.07661	3.6
121.10143	54.1
122.07170	14.0
123.06680	6.4
123.09177	6.0
123.11700	18.5
124.08715	8.6
125.08217	4.4
126.10333	3.0
131.97435	5.4
134.07097	3.1
135.09160	4.0
135.11685	56.8
135.44226	3.2
136.08691	4.4
137.08209	10.9
137.10750	2.8
138.10220	2.9
146.07104	4.1
147.08081	3.5
148.08702	8.4
149.02345	53.9
149.08258	5.8
149.13260	29.3
150.10219	4.5
159.11681	3.8
160.08719	3.1
162.10287	6.2
163.09758	16.4
163.10989	2.9
163.14856	8.6
164.08092	5.8
164.09322	16.3
164.11861	7.7
165.11388	7.3
179.12849	4.1
189.11331	7.3
205.08958	3.0
205.10469	4.2
205.12198	25.3
205.14488	30.9
205.16235	3.9
205.19521	62.4
206.08148	4.7
206.10300	8.5
206.13985	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.34512	0.3
54.69127	0.3
54.98979	0.3
56.96560	0.7
59.95573	0.3
61.70753	0.3
69.03406	0.3
69.79795	0.8
69.80210	1.0
73.02917	0.5
81.03410	0.3
85.02897	0.8
91.05479	0.5
93.07049	0.3
94.29211	0.3
97.02873	0.5
98.97544	0.6
99.29086	0.3
104.04968	0.5
111.09184	0.3
116.98631	0.3
128.28453	0.3
132.04440	20.7
134.99675	0.3
146.99635	0.4
147.04393	0.3
149.02339	0.6
150.02686	1.0
160.03932	0.5
165.55922	0.3
175.06212	0.3
178.04982	100.0
179.05357	0.9
189.58264	0.3
191.14278	1.1
206.04468	64.5
207.04765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03930	0.4
55.01861	0.5
55.05515	1.4
57.03428	0.4
57.07072	11.4
61.62771	0.3
65.03934	4.0
67.05513	1.5
68.04997	0.4
69.03415	1.0
69.07062	3.3
71.60945	0.5
79.05488	2.2
81.03424	1.4
81.04496	0.3
81.07050	9.0
83.08608	1.2
84.04488	0.3
85.02904	1.2
91.05489	1.6
91.06018	0.4
93.02889	0.3
93.03389	1.8
93.06464	0.6
93.07037	9.7
95.04971	0.5
95.08602	4.6
97.02885	6.4
97.04832	0.4
97.10144	0.9
98.03195	0.3
99.04423	1.1
105.07015	1.3
107.08585	5.9
109.02878	3.4
109.06484	0.3
109.09559	0.4
109.10162	4.2
111.04433	1.5
111.11697	0.5
113.96467	0.3
116.88531	0.3
119.08586	0.7
121.01982	0.6
121.02863	12.7
121.03958	1.6
121.06486	1.3
121.10134	22.3
122.03180	0.4
122.07147	0.6
122.10465	0.4
123.11716	3.1
126.05505	0.4
127.03893	1.2
127.88314	0.3
131.08531	0.8
131.97421	0.6
133.10081	0.5
135.08026	0.6
135.11691	4.6
139.09717	0.4
142.03481	0.5
143.08589	0.4
145.10112	0.9
147.04404	0.4
147.08037	0.4
149.02332	100.0
149.13232	8.3
150.02684	4.1
159.04514	0.3
159.08054	0.4
159.11696	0.9
163.07571	0.4
163.09824	0.8
163.11182	0.8
163.14821	0.4
164.09372	0.5
167.03395	2.6
177.12700	0.8
187.07581	0.4
187.11229	0.6
190.04968	2.0
191.14297	8.5
199.59727	0.3
205.05009	0.8
205.06892	0.4
205.08714	1.1
205.12207	3.8
205.14197	2.0
205.15915	0.8
205.19510	5.5
206.04382	0.4
206.08130	0.9
206.11993	0.4
206.16693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	1.8
55.05498	8.6
57.07072	9.6
57.45066	0.7
64.34256	0.8
65.03928	2.4
67.05499	10.5
69.03404	0.9
69.06721	1.2
69.07066	15.8
69.34015	8.7
71.08589	0.8
79.05482	9.9
81.03396	2.3
81.07049	46.3
83.08611	5.8
85.02876	1.8
91.05458	7.0
93.03389	1.2
93.07033	43.6
95.04959	1.5
95.08598	31.9
95.25978	0.8
97.02881	9.9
97.10162	6.1
97.29043	0.8
99.04430	1.8
105.07028	5.1
107.08585	31.7
109.02865	4.1
109.06555	0.9
109.10141	24.7
111.04420	1.1
111.11692	2.8
116.05312	0.8
117.06959	1.0
119.08569	1.1
121.02847	6.7
121.03769	1.2
121.10131	100.0
122.10448	2.2
123.11691	10.5
127.03909	1.4
131.97498	0.8
133.41144	0.8
135.11673	22.2
137.13202	0.9
145.10135	1.0
149.02330	52.9
149.13251	40.1
150.02663	2.5
154.89400	0.8
159.30493	1.0
163.11166	0.9
163.14815	4.1
167.03362	0.9
177.12703	1.1
205.08850	1.1
205.12195	2.7
205.14032	1.4
205.19502	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	205.1587
Annotation	Khusitone
Peak:m/z	Relative Intensity
50.12239	1.1
53.03938	1.4
55.01858	2.8
55.05493	4.4
56.96563	61.0
57.03434	19.0
57.07075	14.4
58.03745	1.3
60.04511	2.6
61.04852	1.7
65.03928	2.3
67.05502	8.8
69.03441	6.3
69.07066	5.9
70.04832	4.8
71.04992	25.6
71.95253	2.3
77.83762	1.1
79.05491	5.8
79.70344	1.1
81.03416	6.2
81.07043	15.3
83.59196	1.1
85.02901	7.0
85.06526	3.4
87.04449	1.7
87.48942	1.1
91.05481	13.6
93.07045	16.4
95.04951	5.5
95.08035	1.8
95.08600	20.2
97.02885	22.7
97.06520	3.4
98.03242	1.8
99.04442	6.0
103.05463	4.0
105.07026	36.0
107.04964	2.1
107.08595	16.8
109.02882	15.0
109.06496	5.5
109.10133	4.4
111.04463	1.4
111.08073	1.7
113.09637	15.0
115.05447	4.4
116.00272	1.4
117.07013	13.3
119.08572	14.4
121.02989	6.3
121.03669	1.3
121.06525	6.9
121.07250	1.0
121.10143	14.3
123.08073	1.5
123.11717	2.0
126.01533	2.9
127.02303	4.8
127.03902	6.8
128.03029	3.0
129.06989	5.8
130.07764	3.4
131.02588	1.2
131.04918	5.1
131.08574	17.4
131.97469	2.7
132.51917	1.3
133.02238	4.7
133.06439	1.6
133.10123	5.2
134.03055	5.3
135.02052	2.8
135.08029	3.2
135.11681	3.7
136.02826	2.8
139.03981	1.2
139.53931	1.4
140.03069	11.6
140.53239	2.7
141.06982	5.7
142.03604	1.5
142.04590	2.1
143.03500	1.6
143.04945	1.4
143.08516	3.2
144.09308	3.0
145.04941	2.1
145.06459	10.1
145.10107	45.4
145.53850	2.2
147.03799	2.7
147.07973	2.3
147.11687	30.9
149.02347	65.8
149.03566	6.6
149.05991	7.4
149.09541	2.3
149.13248	5.2
149.53793	1.8
150.02626	1.8
150.04420	1.9
151.05136	4.9
151.53835	4.2
155.08505	2.8
156.04358	2.0
157.06505	1.5
158.54475	1.4
159.03242	1.8
159.08011	3.1
159.11684	17.6
160.04512	2.1
160.54370	3.9
161.05377	18.9
161.09633	1.6
161.13231	5.4
161.55545	2.5
162.06459	1.8
163.07542	6.8
163.11205	6.0
163.14775	4.4
164.05852	4.3
167.03444	1.6
170.05940	40.3
170.56064	5.0
172.56215	13.3
173.06322	3.9
175.07489	3.7
176.04652	2.3
177.05408	4.8
177.09155	3.2
177.12772	6.5
179.06436	2.8
181.56747	13.1
181.97772	1.5
182.06940	4.4
183.11674	1.5
184.07010	4.2
187.07520	4.0
187.11200	7.4
187.14818	34.6
190.09923	3.5
193.07518	2.3
205.04967	4.2
205.08580	11.6
205.12283	33.1
205.14311	4.8
205.15858	100.0
205.19458	3.7
223.02681	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03930	5.5
55.01868	9.5
55.05491	5.5
56.96561	11.9
57.03426	3.5
57.07070	13.6
59.21207	1.5
60.04524	1.9
61.02906	1.6
65.03924	6.6
67.05500	20.9
69.03432	9.7
69.07061	8.1
70.33276	6.5
71.01348	3.8
71.04961	3.6
72.25970	1.5
72.93750	1.7
73.02938	1.6
79.05489	26.5
80.05803	2.0
81.03419	13.8
81.07053	21.2
83.04957	8.0
83.08595	5.0
85.02892	11.5
85.06535	1.7
87.04447	2.8
87.51856	1.8
91.05468	24.1
93.03378	2.8
93.07041	22.5
95.04965	23.8
95.08590	18.2
97.02888	39.6
97.06485	3.5
99.04445	9.3
99.08083	5.4
103.05479	4.4
105.07024	22.3
107.04946	45.8
107.08591	15.2
109.02876	24.7
109.06509	9.1
109.10130	5.3
111.04424	3.0
111.08060	5.3
113.96396	2.1
115.05415	3.4
117.07005	15.9
117.38077	1.5
119.04930	4.0
119.08576	10.4
121.02850	15.1
121.03935	2.7
121.06495	26.0
121.10115	10.6
123.04409	9.6
123.08074	21.2
123.11668	1.8
127.03904	8.9
128.06190	1.6
128.07085	1.9
129.06969	3.9
130.07784	2.6
131.04913	5.0
131.08572	17.7
131.97432	4.8
133.06453	3.0
133.10141	9.3
135.08035	6.8
135.11673	19.1
139.03903	2.5
141.06992	8.6
143.08539	4.3
144.09312	4.3
145.06473	25.9
145.10112	28.1
146.07216	1.9
147.08057	3.9
147.11668	3.5
149.02327	100.0
149.05974	5.2
149.09593	3.8
149.13232	5.4
154.07747	3.2
154.99030	2.3
157.10118	2.5
158.27823	1.8
159.08046	9.9
159.11678	27.0
160.04408	1.7
161.05925	1.9
161.09637	3.0
162.06227	2.6
163.02760	3.1
163.07524	4.4
163.11127	7.7
163.14809	3.3
167.03423	3.7
169.10110	14.5
173.05998	2.4
177.12743	12.4
187.07518	3.6
187.11153	53.1
187.14798	2.6
205.04906	4.6
205.08653	10.2
205.10442	2.7
205.12228	71.3
205.14098	7.6
205.15628	9.8
205.19591	4.3
206.08141	2.6
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
51.33860	1.7
53.99268	1.8
54.57604	1.5
55.05505	9.3
57.03416	3.4
57.07064	5.5
60.04522	8.2
67.05505	15.5
68.05019	3.7
69.07065	18.8
69.54109	13.1
71.04966	2.6
73.02897	7.4
79.05510	8.3
80.13995	1.7
81.07056	37.7
83.04996	2.3
83.08597	2.1
84.04501	8.8
85.02927	3.2
85.06579	1.6
91.05482	24.4
93.07030	17.5
95.04965	2.6
95.08041	2.6
95.08605	32.0
95.77343	1.8
96.04486	7.8
97.02922	9.8
98.20741	3.7
100.02480	5.3
103.09343	1.7
105.07030	60.7
107.08593	20.1
109.06531	2.0
109.10149	28.7
110.06026	2.0
114.05519	7.9
115.05420	2.8
117.06992	5.8
117.48830	1.8
118.03523	5.1
119.08582	52.5
119.09453	3.4
121.10138	16.9
123.08028	2.9
123.11683	6.0
126.05532	9.7
128.06248	2.1
129.07007	3.1
131.08562	5.7
133.06483	2.0
133.10133	56.2
135.11644	2.8
138.05487	2.4
142.07751	3.9
143.08554	6.5
144.06554	2.4
144.09206	1.9
145.06445	4.0
145.10110	21.7
147.08031	2.5
147.11693	79.6
157.10138	12.5
159.08040	2.1
159.11673	10.1
160.08775	2.4
160.12451	6.9
161.05994	3.1
161.09602	6.0
161.13269	25.9
168.06645	2.7
170.10864	4.0
175.11147	2.4
175.14822	5.8
179.97865	2.2
185.09642	4.4
185.13226	11.8
189.11488	3.2
197.99132	4.3
203.07008	5.7
203.10632	11.8
203.14325	25.6
203.17953	100.0
204.08673	10.8
204.13852	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	7.8
56.42759	1.2
57.03453	1.3
57.07056	5.0
60.04509	6.0
60.31257	1.3
66.29824	1.3
67.05495	14.6
68.05022	2.2
69.07067	12.0
70.34451	5.9
71.04967	1.7
79.05493	9.0
81.07053	31.5
83.08611	4.4
84.04515	7.0
85.02899	2.4
91.05480	19.3
93.07037	15.1
95.08603	40.4
96.04478	4.1
97.02889	6.4
100.07630	1.5
105.07030	100.0
107.08597	25.2
109.10153	32.0
110.05994	2.3
114.05523	6.3
117.07011	5.7
118.03529	2.3
119.08581	52.7
121.10157	16.2
123.08086	2.3
123.11703	5.1
126.05502	9.1
128.06210	1.8
129.07062	1.9
130.07823	2.0
131.08566	5.4
133.10123	54.1
135.11725	4.0
142.07806	3.7
143.08562	6.3
144.06567	2.8
145.10124	14.0
147.11685	76.4
157.10110	8.6
159.08089	3.3
159.11699	7.5
160.12488	2.7
161.09631	5.2
161.13255	26.8
175.07484	1.3
175.11150	2.2
175.14813	12.6
185.09653	4.6
185.13326	7.0
203.03329	1.8
203.07002	4.0
203.10646	9.0
203.14314	21.3
203.17952	95.5
204.06787	2.3
204.08667	8.8
204.13818	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05508	7.6
57.07061	2.0
59.59227	0.9
60.04515	3.4
65.03934	1.2
65.43201	0.8
67.05228	1.0
67.05505	13.1
69.07064	16.5
70.09453	4.9
79.05485	7.6
81.07056	34.1
83.08617	4.8
84.04487	4.0
91.05466	14.5
93.07030	14.7
95.04962	1.9
95.08602	35.5
96.04480	2.5
97.02874	2.0
98.20860	1.1
103.05451	1.4
104.38217	1.1
105.03391	5.4
105.07025	81.9
107.08595	20.2
109.06494	1.3
109.10152	27.8
114.05516	1.4
115.05444	1.7
117.07021	5.2
117.45438	0.8
119.08573	82.8
121.10133	15.7
123.11702	8.0
126.05500	3.0
128.06184	1.2
129.06982	2.0
131.08557	3.8
133.10126	44.5
135.11685	4.1
138.05446	1.9
142.07751	1.6
143.08557	3.5
145.10146	10.4
147.08095	1.5
147.11679	67.7
149.35977	0.9
157.10117	3.4
159.08138	0.9
159.11679	3.9
160.05209	2.8
160.12460	3.5
161.05989	16.3
161.09628	1.9
161.13260	22.5
171.08076	1.4
175.07581	6.1
175.11177	1.0
175.14854	4.9
185.09674	1.6
185.13254	3.8
188.04713	1.5
197.98824	0.9
203.07011	13.0
203.10628	6.9
203.14413	8.9
203.17952	100.0
204.08635	3.0
204.13916	2.2
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
55.05495	5.7
57.07053	2.6
60.04505	6.9
67.05182	1.9
67.05491	12.1
68.05023	3.4
69.03443	1.4
69.07053	6.5
71.62857	1.6
71.63276	1.8
79.05469	5.6
81.07053	21.6
83.08562	2.1
84.04492	8.2
85.02899	3.3
91.05474	12.6
93.07036	14.8
95.08603	49.7
96.04484	6.9
97.02891	8.4
105.06373	3.0
105.07026	34.0
107.08590	24.4
109.10152	32.5
114.05544	9.2
117.06992	2.4
119.08586	28.6
121.10142	13.1
123.11678	4.7
126.05523	11.4
131.08601	3.1
133.10123	33.0
135.11664	1.9
142.07770	2.0
143.08531	5.0
145.06494	2.1
145.10100	8.9
147.08060	2.0
147.11676	37.1
157.10109	7.5
159.07979	2.9
159.11679	5.7
161.09618	5.6
161.13254	21.3
168.06439	3.0
168.60616	1.5
175.11288	2.4
175.14819	8.0
183.11147	1.5
185.09619	3.0
185.13269	5.3
203.07051	5.5
203.10669	8.1
203.14381	15.0
203.17955	100.0
204.08652	12.8
204.13716	7.9
204.18385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Tremetone
Peak:m/z	Relative Intensity
52.09059	0.4
53.03944	0.4
54.14134	0.4
55.01867	1.1
55.05499	0.7
57.03411	0.5
59.04991	0.7
60.04522	1.2
63.10164	0.5
67.05499	1.3
69.03427	1.0
69.07057	1.4
71.62820	0.6
74.25690	0.4
79.05482	4.2
81.07048	2.4
83.04981	0.7
83.08622	0.6
83.55421	0.4
84.04487	1.2
85.02914	0.5
91.05479	3.6
93.07027	1.9
94.68781	0.4
95.04977	0.9
95.08598	2.8
96.04457	0.7
97.02871	0.9
103.05483	1.1
105.07040	4.5
107.08587	1.8
109.06509	0.6
109.10141	1.3
115.05443	7.2
116.06261	0.5
117.06994	3.0
119.01932	0.5
119.04920	0.6
119.08571	9.4
121.06523	0.5
121.10155	1.2
123.11673	0.5
124.05192	0.5
126.05502	1.5
127.05402	0.8
127.10505	0.4
128.06215	43.9
129.07065	3.3
130.04132	1.0
130.07831	0.6
131.04909	3.2
131.08559	1.9
132.05682	0.6
133.06465	2.7
133.09196	0.7
133.10123	5.8
137.05933	2.0
138.05484	1.0
141.06944	2.8
142.07761	2.8
143.04929	3.5
143.08549	60.1
144.05653	1.5
144.08923	1.0
145.06464	8.4
145.10106	5.7
146.03610	0.7
146.07246	0.9
147.04402	2.4
147.08043	3.3
147.11681	3.4
151.52106	0.4
152.06198	1.0
153.06975	2.0
155.06015	1.7
155.08527	1.2
155.11746	0.4
156.05655	0.8
156.09323	0.5
157.06517	0.9
157.10112	4.9
158.07219	0.5
159.04405	4.6
159.07990	1.6
159.11711	3.6
160.05183	9.7
160.08783	2.6
161.02975	0.9
161.05974	7.4
161.09607	2.6
161.13248	1.9
162.06731	3.8
170.07257	0.6
170.10887	3.6
171.08043	55.8
172.08763	3.3
173.06003	6.2
173.09575	0.6
173.13213	0.8
174.06754	25.0
175.07536	35.2
175.11031	2.1
175.14812	1.1
176.07930	0.6
185.09781	0.8
185.13255	5.5
187.07524	0.7
188.04703	1.0
188.08313	29.0
189.08690	0.5
203.07004	5.7
203.10657	100.0
203.14244	9.9
203.17949	4.4
204.08710	1.0
204.11005	1.8
204.13939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99879	1.7
53.03940	2.9
55.01870	5.4
55.05507	29.8
56.96560	13.2
57.03432	9.7
57.07074	2.6
59.04996	14.6
59.06121	3.1
60.04525	10.8
61.02914	3.7
67.05499	21.5
68.04997	2.4
69.03426	24.2
69.07063	22.3
70.06618	1.6
71.04987	19.8
71.62089	1.7
73.02918	4.8
73.06566	2.3
79.05485	29.9
81.03403	4.6
81.07048	45.9
82.06572	1.8
83.04974	32.7
83.08618	5.2
84.04496	4.7
84.08121	1.8
85.02890	8.7
85.06544	7.3
86.09731	4.1
87.04471	3.4
91.05479	25.4
93.07035	26.3
95.04957	20.1
95.08604	29.7
96.04479	3.7
97.02889	14.4
97.06525	25.6
97.10174	3.9
98.86317	1.9
98.97565	7.2
99.04432	5.0
99.08063	3.2
101.05978	2.4
103.05422	1.9
105.07026	24.4
107.04977	1.7
107.08582	75.9
109.02880	3.8
109.06503	11.9
109.10149	37.8
111.04427	4.4
111.08059	3.7
113.06005	2.2
113.09649	2.9
114.05513	2.5
115.05460	20.3
115.07566	2.7
116.98632	8.0
117.07027	5.3
119.01917	4.8
119.04932	6.7
119.08570	15.8
121.06503	5.0
121.10130	35.4
122.07230	2.0
122.85302	1.4
123.08073	32.9
123.11700	2.3
125.04168	1.7
125.05982	4.8
125.09622	34.8
126.05519	6.7
127.03938	2.1
128.06213	4.6
128.98618	3.1
129.05496	3.8
129.06978	7.5
130.06514	47.4
131.04886	2.0
131.08583	11.2
132.05687	4.6
133.06441	2.7
133.10118	24.1
134.99620	8.9
135.08066	3.1
136.08833	8.4
137.09610	23.5
138.05505	4.8
139.11140	23.3
139.12051	2.3
140.05960	2.4
141.06934	2.0
141.09030	3.4
142.07738	8.0
143.00145	1.8
143.04919	17.3
143.08569	9.2
144.06601	3.1
145.06483	4.0
145.10114	25.8
146.99580	2.9
147.04384	21.7
147.08080	8.0
147.11674	7.9
149.01233	1.9
149.09595	13.2
153.09073	6.1
155.10626	11.1
156.06854	1.8
156.09381	2.7
157.06529	4.1
157.07607	100.0
157.10130	13.8
157.12230	2.4
157.34300	1.7
158.08167	1.9
159.06862	2.0
159.08072	7.6
159.11731	9.9
160.05179	14.3
160.08757	3.1
161.01215	3.6
161.02989	3.9
161.05969	6.8
161.09599	10.2
161.13231	8.5
161.72411	1.6
162.03624	2.1
167.10660	57.6
170.10925	4.2
171.04402	16.1
171.05786	3.1
171.10120	2.5
173.56685	1.7
175.07520	25.9
175.11165	6.0
177.00705	6.0
185.07156	2.8
185.09601	4.3
185.11691	6.6
185.13286	11.7
188.04715	5.8
188.06926	2.3
191.05821	3.6
192.03622	4.1
194.07019	2.9
202.56969	3.4
203.03351	4.3
203.08115	52.6
203.10698	16.2
203.12738	1.4
203.14296	34.2
203.17932	6.2
203.57616	3.5
204.06606	1.9
204.08659	7.3
204.13849	5.2
212.08112	2.8
214.58342	2.7
219.01801	2.7
223.58928	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1073
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
53.03926	0.8
53.72292	0.4
54.03456	0.5
55.01869	5.7
55.05501	2.1
56.05024	1.0
56.49559	0.4
56.96550	1.2
57.03419	0.7
59.06120	0.7
60.90668	0.4
61.72104	0.4
63.87978	0.4
64.99721	0.4
67.05518	2.5
68.05009	1.1
69.03429	0.8
71.05002	0.6
71.60548	0.4
71.60983	0.6
79.05483	1.5
81.07050	5.5
81.52972	0.5
82.02931	2.0
82.06561	2.1
84.04510	4.6
84.08133	2.3
85.02862	1.1
86.06068	4.3
91.05470	1.5
93.07032	7.7
94.06553	0.9
95.04957	1.0
95.07332	0.6
95.08600	6.3
96.04501	5.2
96.08138	1.8
97.02901	1.0
97.06516	0.5
98.06006	0.6
98.97573	1.5
99.04368	0.5
107.08533	0.6
107.28351	0.4
110.06033	1.8
110.09677	17.2
111.08073	1.0
112.07605	0.5
112.99162	0.4
114.05524	14.0
116.98641	0.9
119.01900	1.0
120.08092	1.3
121.06506	1.8
122.06054	0.5
123.08073	2.1
124.07583	3.1
124.08344	0.5
132.06569	1.8
134.99673	0.8
137.02881	0.5
138.09131	100.0
139.07536	4.8
139.09462	0.8
140.10689	1.5
142.08615	1.9
148.07559	1.8
149.05983	1.1
156.10187	9.5
157.08641	0.6
158.99583	0.5
166.08636	22.0
167.07034	2.5
177.00694	0.6
179.09204	0.5
181.06271	0.5
184.09683	51.0
190.06702	0.6
202.06999	1.0
202.08821	0.9
202.10722	14.0
203.07016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09059	0.4
53.03944	0.4
54.14134	0.4
55.01867	1.1
55.05499	0.7
57.03411	0.5
59.04991	0.7
60.04522	1.2
63.10164	0.5
67.05499	1.3
69.03427	1.0
69.07057	1.4
71.62820	0.6
74.25690	0.4
79.05482	4.2
81.07048	2.4
83.04981	0.7
83.08622	0.6
83.55421	0.4
84.04487	1.2
85.02914	0.5
91.05479	3.6
93.07027	1.9
94.68781	0.4
95.04977	0.9
95.08598	2.8
96.04457	0.7
97.02871	0.9
103.05483	1.1
105.07040	4.5
107.08587	1.8
109.06509	0.6
109.10141	1.3
115.05443	7.2
116.06261	0.5
117.06994	3.0
119.01932	0.5
119.04920	0.6
119.08571	9.4
121.06523	0.5
121.10155	1.2
123.11673	0.5
124.05192	0.5
126.05502	1.5
127.05402	0.8
127.10505	0.4
128.06215	43.9
129.07065	3.3
130.04132	1.0
130.07831	0.6
131.04909	3.2
131.08559	1.9
132.05682	0.6
133.06465	2.7
133.09196	0.7
133.10123	5.8
137.05933	2.0
138.05484	1.0
141.06944	2.8
142.07761	2.8
143.04929	3.5
143.08549	60.1
144.05653	1.5
144.08923	1.0
145.06464	8.4
145.10106	5.7
146.03610	0.7
146.07246	0.9
147.04402	2.4
147.08043	3.3
147.11681	3.4
151.52106	0.4
152.06198	1.0
153.06975	2.0
155.06015	1.7
155.08527	1.2
155.11746	0.4
156.05655	0.8
156.09323	0.5
157.06517	0.9
157.10112	4.9
158.07219	0.5
159.04405	4.6
159.07990	1.6
159.11711	3.6
160.05183	9.7
160.08783	2.6
161.02975	0.9
161.05974	7.4
161.09607	2.6
161.13248	1.9
162.06731	3.8
170.07257	0.6
170.10887	3.6
171.08043	55.8
172.08763	3.3
173.06003	6.2
173.09575	0.6
173.13213	0.8
174.06754	25.0
175.07536	35.2
175.11031	2.1
175.14812	1.1
176.07930	0.6
185.09781	0.8
185.13255	5.5
187.07524	0.7
188.04703	1.0
188.08313	29.0
189.08690	0.5
203.07004	5.7
203.10657	100.0
203.14244	9.9
203.17949	4.4
204.08710	1.0
204.11005	1.8
204.13939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54476	2.5
61.97282	2.1
63.38878	1.9
64.00150	1.9
70.56830	7.7
82.01440	2.6
98.97563	4.4
100.02483	13.9
101.00867	11.7
116.98651	2.7
118.03504	7.1
119.01916	100.0
120.02025	3.1
123.59836	2.2
134.99657	2.8
137.02940	46.1
142.03476	39.9
160.04547	25.2
161.02956	18.5
178.05643	5.2
178.31773	2.3
179.03999	51.6
179.98019	2.9
184.04565	3.4
191.85416	2.6
197.99150	13.9
199.50124	3.5
200.00172	3.5
220.02200	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03949	0.9
55.05498	2.3
57.03428	1.3
57.07063	1.7
65.03921	0.6
67.05495	7.0
69.03422	2.2
69.07068	2.9
70.98418	1.5
71.04991	0.8
79.05492	3.4
81.07051	8.7
83.04946	0.9
83.08593	1.3
85.02895	0.6
85.06546	1.9
90.98045	0.5
91.05477	8.7
93.07047	5.5
95.04954	2.2
95.08597	5.1
99.08073	0.6
103.05474	0.8
105.07026	10.0
107.08582	2.9
109.06500	2.3
109.10155	4.0
115.05441	3.2
116.06231	1.7
116.98643	0.7
117.07004	7.9
118.96780	1.3
119.08570	17.9
121.06461	1.6
121.10124	2.2
123.08094	0.7
123.11697	3.7
125.57419	0.5
127.03938	0.7
127.07532	0.8
128.06200	4.2
129.06999	8.3
130.07761	3.4
131.04898	0.9
131.08560	33.4
133.10120	28.4
134.10547	0.9
137.09607	0.8
141.06967	6.4
142.07774	2.6
143.08548	24.0
144.05666	0.9
144.09338	7.6
145.06470	5.5
145.10115	36.1
146.07281	1.3
147.11646	2.2
153.06978	1.7
155.08551	4.2
156.09335	1.8
157.06474	1.3
157.10115	6.8
158.03598	1.8
158.07291	5.6
158.10899	33.8
159.08044	10.5
159.11685	18.4
160.05150	1.6
161.09621	1.0
165.12733	1.8
168.09308	2.6
169.06442	2.4
170.07242	1.0
171.08054	8.1
171.11708	2.4
172.08829	10.9
172.12445	0.9
173.05984	2.2
173.09653	14.5
173.13246	100.0
174.13583	2.5
177.98064	1.3
183.07950	0.8
183.11697	4.9
183.13678	1.0
185.09578	1.5
186.03110	1.0
186.06830	4.2
186.10382	33.8
187.10713	0.9
201.05370	7.4
201.09113	17.9
201.12727	92.8
201.16354	14.9
202.13023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18864	0.4
53.13369	0.3
54.03471	1.3
54.36668	0.3
55.01862	1.3
55.05507	0.8
56.05024	2.0
56.96561	6.8
57.03426	2.4
57.46117	0.4
58.05341	0.4
59.05000	0.6
60.04518	0.8
61.02916	1.3
67.05525	0.9
68.05019	1.3
69.03431	1.9
69.07037	0.6
69.84541	2.3
70.06587	1.2
71.04984	1.6
71.06118	0.4
72.08140	1.3
73.02910	2.3
73.07701	0.4
74.06083	0.4
79.05473	1.4
79.73801	0.3
80.05008	0.9
81.03424	0.9
81.04525	0.4
81.07036	1.8
82.05331	0.8
82.06567	0.8
83.04980	1.2
83.06094	5.1
84.04507	1.4
84.06894	0.5
84.08142	1.3
84.96052	0.8
85.02900	3.2
86.06060	1.0
86.09711	0.6
87.04439	0.4
91.05517	0.7
93.07018	0.7
94.06557	1.4
95.04976	0.9
95.06075	3.0
95.08598	1.4
96.04477	1.0
96.08121	1.5
97.02884	3.1
97.06494	0.6
97.07639	0.4
97.09967	0.4
98.21609	0.4
98.97581	5.0
99.04453	0.6
99.97893	0.9
101.00848	1.5
102.05615	0.4
103.02435	0.6
104.01303	0.5
105.07028	1.1
108.06861	0.8
109.02873	1.1
109.07661	2.3
109.08339	0.5
110.01274	0.6
110.06007	0.7
110.09623	0.4
110.97551	0.6
112.07592	1.0
113.07119	28.6
116.98610	4.5
117.02004	0.5
117.98944	1.1
118.01041	0.4
119.01900	10.5
120.02041	0.5
120.08099	6.6
121.01690	0.5
122.05945	0.4
122.09672	1.5
123.06354	1.0
124.07579	6.6
125.06000	0.6
127.03883	1.2
128.02365	0.9
128.98586	1.2
130.06474	0.4
131.00175	0.7
131.01886	1.6
133.03432	1.6
134.99654	3.2
135.99974	1.0
136.09966	0.7
137.02962	4.7
137.07056	5.0
137.07928	1.3
137.10727	48.6
138.09151	1.8
138.11044	0.6
139.04248	0.6
139.12291	24.9
140.98607	0.4
141.07417	1.9
142.03452	1.0
142.08614	1.4
143.00171	0.5
143.01843	0.9
145.03429	0.6
146.99625	1.0
147.05011	0.9
147.09135	1.7
148.07559	1.3
149.01222	0.6
149.02901	0.8
151.04480	0.7
153.00714	0.6
155.07997	2.5
155.11797	1.7
157.01686	0.7
157.03485	1.1
158.99692	1.3
160.04672	1.0
161.01247	0.8
161.02943	2.2
165.00722	0.6
165.10229	34.8
166.08623	0.6
169.04312	0.6
173.02943	0.9
175.02760	1.4
175.04401	0.6
177.00685	1.7
179.02371	0.4
179.03966	1.2
183.07642	2.6
183.11275	66.4
184.06078	0.6
184.09702	2.3
184.11633	1.4
185.02971	1.7
187.00847	0.9
189.55730	0.4
190.05739	1.0
193.03833	2.2
201.00743	0.6
201.02449	0.8
201.08626	11.0
201.12320	100.0
202.01654	0.4
202.06990	0.7
202.10709	2.6
202.12631	1.5
203.04060	0.5
219.01785	0.7
219.03510	1.9
219.05319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0909
Annotation	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene
Peak:m/z	Relative Intensity
52.94251	0.4
53.58586	0.4
55.01867	1.3
55.85047	0.4
56.53548	0.4
67.05492	1.2
69.03432	3.3
69.07058	1.2
71.01356	3.1
71.08620	0.4
71.60587	0.5
73.02911	0.8
79.05496	0.7
81.03395	0.8
81.07053	1.4
83.01333	0.7
83.05006	0.5
83.08595	0.6
85.02895	0.7
85.06520	0.6
91.05483	3.7
91.30894	0.5
93.07034	1.3
95.08584	1.6
103.05469	2.2
104.06268	1.1
105.07040	3.0
107.04904	1.1
107.08596	1.8
115.05450	2.9
116.06293	1.1
117.07030	6.7
118.78743	0.4
119.04950	0.5
119.08576	1.8
121.10162	0.5
123.11794	0.4
127.05399	0.6
128.06236	1.5
129.07011	5.4
130.07748	1.0
131.04926	55.5
131.08553	5.7
132.05733	10.7
133.06467	0.8
141.06955	1.0
143.08578	1.4
144.05692	1.4
144.09355	0.7
145.06479	9.9
145.10121	10.7
153.07013	1.5
155.06021	1.1
155.08572	5.5
157.06480	1.3
157.10127	0.7
158.03661	1.2
158.07236	1.6
159.04422	2.7
159.08064	1.5
159.11713	4.4
160.05193	100.0
161.05563	1.7
165.07036	1.4
168.05753	0.9
171.08052	0.5
173.06004	3.9
173.09630	4.3
173.13277	1.5
183.08028	2.4
186.03156	0.5
201.05486	4.7
201.09105	27.1
201.16380	6.8
202.09399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0908
Annotation	Bis(4-hydroxyphenyl)methane
Peak:m/z	Relative Intensity
55.01878	0.8
68.76781	0.4
69.03428	3.1
69.53608	2.7
69.54017	0.9
71.01344	3.7
73.02921	1.5
79.05507	0.9
81.07056	0.6
83.01332	0.7
85.02851	0.4
91.05465	2.9
95.04943	0.6
98.21478	0.8
103.05490	1.4
103.33360	0.3
104.06207	0.7
105.07050	1.7
107.04943	1.8
107.08564	0.5
115.05444	2.7
116.06235	1.3
117.07013	5.2
119.04958	0.5
119.08541	0.5
128.06213	1.5
129.06996	5.6
130.04111	0.5
130.07771	0.8
131.04919	60.1
131.08568	2.9
132.05722	11.8
133.06468	1.1
143.08549	1.1
144.05690	2.0
145.06479	9.0
145.10104	7.9
147.04382	0.6
153.07008	1.3
154.07764	0.6
155.06009	0.9
155.08556	4.8
157.06429	0.9
158.03554	0.5
158.07253	1.1
159.04401	3.1
159.08058	1.2
159.11703	1.1
160.05185	100.0
161.05504	2.1
165.06966	1.6
168.05736	0.4
171.07985	0.6
173.05978	4.6
173.09579	3.7
183.08026	2.4
184.98422	0.4
186.06702	0.5
201.05478	1.9
201.09076	23.9
201.16307	2.2
202.09373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.05514	1.0
56.05042	0.7
56.96553	4.2
58.17971	0.6
66.64708	0.8
67.05504	3.9
68.05023	2.2
69.03427	6.0
69.07062	6.6
70.18007	3.4
71.95249	1.1
79.05482	3.2
80.05008	2.4
81.07044	3.3
82.06555	1.5
84.04469	0.9
84.08125	3.0
85.02908	0.9
87.70567	0.7
91.05472	7.2
93.05771	2.9
93.07040	6.0
94.06560	23.3
95.04937	4.6
95.08585	1.2
96.04467	1.6
97.02860	1.0
97.06528	2.4
98.97575	20.2
108.04431	1.9
108.08105	26.2
109.06496	2.9
110.06033	13.6
111.04466	0.9
111.06850	0.9
111.08028	1.3
112.03969	4.1
112.07586	4.4
116.98612	23.4
117.05761	0.9
118.06501	3.9
119.01846	0.8
119.04915	1.3
120.08117	1.3
121.06514	1.3
122.06020	66.4
122.68418	0.8
123.04424	3.1
123.06835	1.3
124.07574	3.3
126.09153	1.5
134.05998	1.3
134.98619	1.3
134.99649	22.3
136.07567	67.2
136.74078	0.9
137.05977	3.6
137.06914	0.8
138.05440	1.0
138.09103	3.5
139.07515	4.8
140.07051	91.5
146.99596	1.0
153.00665	6.0
154.05019	1.3
154.08618	59.9
158.01212	2.7
164.07050	12.0
165.05455	2.2
166.03851	0.8
177.00652	0.9
182.08112	67.0
183.08350	0.8
195.01790	1.1
200.09167	100.0
200.19315	1.3
205.21985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
52.75303	0.9
53.03935	1.1
53.18729	1.0
56.96549	2.7
67.05489	4.5
68.04997	1.2
68.99792	1.4
69.03414	6.5
69.07059	7.1
70.06583	1.1
70.38560	0.9
71.58379	1.9
79.05470	2.8
80.05002	2.5
81.07038	4.0
82.06558	1.9
84.08118	2.8
86.68338	0.9
91.05487	7.5
93.05780	1.9
93.07035	6.5
94.06561	24.5
95.04968	4.9
96.04433	1.4
96.08113	1.8
97.06528	1.6
98.06054	1.4
98.97589	16.3
100.65022	1.0
102.70119	0.9
108.04461	2.1
108.08112	27.5
109.06489	3.4
110.06036	17.2
111.06834	1.5
111.08081	2.1
112.03961	5.2
112.07628	4.7
115.82784	1.0
116.52534	1.0
116.98611	12.6
117.05740	1.4
118.06543	3.2
119.04946	1.0
120.08093	2.3
121.06483	2.2
122.06024	75.3
123.04409	2.6
123.06850	2.1
124.07566	2.9
126.09111	2.7
134.99652	10.4
136.07571	78.8
137.05965	3.5
138.05432	1.2
138.09166	5.0
138.10080	0.8
139.07520	4.1
140.07060	100.0
147.71895	0.8
153.00668	3.9
154.05045	1.9
154.08621	62.1
155.07048	1.7
156.83099	1.0
164.07060	14.4
165.05524	1.4
182.08122	66.1
200.09169	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42616	0.6
56.19968	0.6
56.96564	11.4
66.35476	0.6
69.97561	3.9
71.95260	1.3
98.97581	86.3
116.98618	100.0
119.01950	1.4
119.61670	0.7
134.99657	80.3
140.00180	3.6
153.00710	19.0
158.01292	8.0
160.48904	0.7
175.80998	0.8
176.02301	3.1
177.00729	6.6
195.01764	6.2
199.18890	1.1
199.99008	0.9
203.97186	0.9
204.98427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
50.37479	1.2
53.03941	1.6
55.01860	3.3
55.05479	1.2
56.05023	1.9
56.09101	1.2
56.96289	2.4
56.96560	35.0
57.03416	5.5
61.02913	4.7
64.40288	1.3
67.05505	7.8
69.03423	14.0
69.07065	6.6
70.06606	1.3
70.43519	5.4
70.43846	1.4
71.04969	5.9
71.41337	1.3
71.95284	1.5
73.02904	7.5
75.60046	1.3
79.05469	4.2
80.05007	3.2
81.03383	4.8
81.07032	6.2
82.06563	2.8
83.04951	2.5
83.06087	2.2
84.08147	7.9
84.96030	2.2
85.02898	12.0
85.06501	1.7
87.04467	1.7
87.27892	1.4
91.00505	1.3
91.05467	8.7
93.05753	2.9
93.07033	6.9
94.06557	25.0
95.04947	7.2
96.04501	6.8
96.05024	1.2
96.08099	1.7
97.02866	5.7
97.06517	2.8
98.97581	91.4
99.02057	1.5
99.04464	2.8
100.02496	2.5
100.77481	1.4
102.02182	2.0
103.35371	1.5
105.02148	1.7
108.04431	2.5
108.08112	26.8
109.02817	1.5
109.06482	4.4
110.01235	3.2
110.06033	21.8
110.97544	2.8
111.08032	2.1
112.03955	4.6
112.07581	6.4
113.07172	1.5
116.98612	95.8
117.05737	1.7
118.03464	1.9
118.06506	6.2
119.01868	12.3
120.03277	2.1
120.08072	3.5
121.06434	2.4
122.02351	2.4
122.06023	83.0
123.03213	1.8
123.04405	5.6
123.06738	1.5
124.07577	3.2
126.02554	2.2
126.09129	3.0
127.03908	1.9
128.02304	3.1
128.98586	3.7
131.00165	2.3
133.03432	4.8
134.99649	79.4
135.03046	3.5
136.07568	89.7
137.01793	1.4
137.02875	3.8
137.05975	3.2
137.10680	3.2
138.05463	1.8
138.09111	4.8
139.07491	6.4
140.00154	2.9
140.07054	96.9
140.59764	1.6
144.10135	1.8
144.99738	1.6
146.02289	2.3
146.53931	1.6
146.99652	3.8
147.04059	1.8
149.01176	3.1
149.02846	1.7
151.04688	1.5
152.02234	3.7
153.00702	21.3
154.05000	2.4
154.08617	67.1
156.06535	3.9
158.01242	9.0
158.09286	1.9
158.99615	4.0
161.01140	2.1
161.02826	2.8
162.99092	3.0
164.07043	14.8
165.00732	1.7
165.05440	5.2
165.10226	2.2
172.02693	2.3
172.09686	1.9
173.01244	1.8
173.02827	1.4
176.02245	2.5
177.00665	12.0
177.02269	2.7
177.04077	1.9
182.08115	88.4
183.08505	3.0
183.11247	4.8
189.00688	4.5
195.01746	6.0
200.04195	4.2
200.09137	100.0
201.09055	1.8
201.12309	7.0
219.01743	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.96559	16.8
57.03427	2.9
57.07067	0.8
61.02917	1.9
61.75338	0.7
67.05488	1.0
69.03418	2.8
69.07057	1.2
69.81610	4.7
71.04983	1.1
73.02914	3.8
73.12618	0.6
79.05502	0.9
81.03365	1.0
81.07055	1.0
84.08144	0.9
84.96027	0.9
85.02889	4.1
91.05446	1.5
93.05779	0.9
93.07042	1.0
94.06562	3.1
95.04971	0.9
96.11189	0.7
97.02885	2.3
98.97577	90.2
100.02502	0.7
108.08092	4.0
109.02895	1.9
109.06536	0.9
110.06035	3.7
110.97589	1.8
112.03954	1.0
112.07600	1.1
116.98610	100.0
119.01816	4.4
121.06489	0.8
122.06018	15.1
123.04425	0.7
124.07609	0.8
126.02528	0.9
127.03898	0.8
128.02255	1.3
128.98602	2.2
131.00182	0.9
131.01862	0.7
134.99651	90.3
135.99979	1.0
136.07567	13.8
137.02965	0.9
138.09117	1.3
140.00211	3.7
140.03229	0.9
140.07047	19.6
144.98021	0.7
146.02423	1.0
146.53883	1.1
146.99666	1.8
149.02911	1.0
153.00688	19.0
154.08617	12.8
155.02820	1.1
158.00043	1.3
158.01233	10.2
158.99632	1.7
159.03020	1.4
161.02798	1.3
164.07082	3.3
165.05270	0.9
165.82404	0.7
170.03349	1.2
170.99799	0.7
172.02798	1.3
173.02884	0.8
176.02318	2.9
177.00685	8.8
177.02180	1.1
182.08133	16.4
183.08545	0.7
189.00706	1.0
191.02345	0.8
191.03972	1.0
195.01759	7.3
200.04123	1.8
200.09122	19.0
210.40421	0.7
214.03963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.7
56.05022	0.7
56.96284	0.9
56.96560	16.3
69.03436	1.3
69.30122	0.4
69.52934	3.5
70.06550	0.7
71.04984	0.7
71.95251	2.1
73.02921	0.9
77.34260	0.5
78.99125	0.5
81.03414	1.1
81.07057	0.5
83.06079	0.5
85.02887	1.5
87.35954	0.5
88.32267	0.5
94.06588	0.6
97.02893	2.0
98.97575	91.5
99.97923	0.7
108.08118	0.7
108.44900	0.5
109.02874	0.7
110.06084	0.6
114.05518	0.5
116.98611	100.0
119.01930	1.1
122.06030	2.0
128.98630	0.6
131.01938	0.7
134.99648	86.1
136.00005	0.5
136.07576	1.6
137.00069	0.5
137.02924	0.7
137.05978	0.8
138.05458	0.6
140.00180	2.8
140.07068	2.6
147.03198	0.7
149.01164	0.6
153.00706	19.3
153.96700	0.6
154.08614	1.3
158.01253	9.1
158.99628	1.8
161.01215	0.6
164.07065	0.6
168.03662	1.7
173.01265	0.9
176.02269	3.0
177.00687	7.1
177.02151	0.9
177.04077	1.8
181.02853	0.9
182.04469	0.6
182.08125	1.9
188.55795	1.2
191.02272	0.9
195.01733	4.7
195.03326	0.7
199.18796	1.5
200.04042	1.1
200.08983	2.3
201.12358	0.5
218.05125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02320	0.6
53.03879	2.6
55.01804	4.3
55.05437	6.0
55.05728	0.8
56.05791	1.2
56.96491	6.4
57.03365	1.9
57.07003	2.4
57.07277	1.0
57.93520	1.0
59.06050	3.3
60.04471	0.9
61.02839	0.7
61.22017	0.4
65.03869	1.8
67.05428	6.3
69.03416	3.7
69.06993	8.2
69.07401	0.8
70.06541	1.1
70.07336	1.2
71.04906	2.0
71.06084	0.7
71.08562	1.0
72.04445	2.0
72.08103	1.1
73.02853	1.1
74.09715	9.8
75.94564	0.7
77.03869	0.6
77.98559	0.4
79.05487	20.9
79.05909	1.1
81.03340	1.8
81.04487	0.7
81.07054	8.3
83.01276	0.6
83.04980	2.6
83.06047	1.3
83.08614	4.5
84.04444	0.5
84.08075	0.7
84.08900	1.3
85.02823	2.3
85.06467	1.5
85.07614	1.1
86.05998	0.9
86.09637	1.7
87.05542	1.2
89.05959	0.6
91.05473	20.6
91.72108	0.5
92.05733	0.6
93.07036	42.1
93.95634	0.5
95.04961	12.9
95.05959	0.6
95.08591	4.1
97.02879	3.1
97.06538	4.8
97.07592	0.9
97.10097	1.4
98.05990	0.6
98.07042	0.4
98.10500	0.7
98.97572	9.0
99.04430	0.9
99.09183	0.6
100.07591	3.7
100.11146	0.6
103.05461	6.2
105.03340	1.1
105.04433	1.5
105.06963	1.9
107.01223	0.5
107.04954	3.9
107.08602	3.5
108.04406	0.6
108.08012	0.5
109.06500	2.6
109.07605	0.5
109.10126	1.2
110.03587	0.6
110.06048	3.2
111.04436	7.4
111.05505	1.0
111.08044	4.5
111.11654	1.9
113.05925	0.9
115.05447	1.0
115.07531	0.6
116.96514	0.6
116.97252	8.8
116.98602	12.9
119.01812	1.0
119.04871	0.9
119.08514	0.8
120.05688	1.2
121.02847	0.7
121.06496	47.8
121.10090	2.2
122.05975	0.6
122.06973	0.8
123.04414	3.6
123.08054	12.4
125.02332	1.2
125.05925	2.1
125.09563	1.5
127.03870	1.1
127.07502	0.6
128.06181	1.5
129.06987	0.6
131.04996	0.5
131.99483	2.2
133.02809	1.0
134.95770	0.7
134.99646	24.3
135.04338	0.9
135.08057	2.7
135.11676	1.3
136.07552	0.8
137.02313	7.3
137.05933	1.4
138.03114	0.6
138.06613	0.9
138.09189	0.5
139.03926	3.2
139.07526	32.5
139.11133	0.7
139.98747	0.7
140.00212	0.5
140.04678	7.9
140.08105	1.0
143.08531	1.6
146.99632	1.0
147.04373	1.2
148.05173	1.5
148.96185	0.7
149.05971	12.4
151.03857	0.9
152.06026	0.6
152.96893	3.1
153.00685	7.6
153.01805	2.1
153.05441	1.5
153.06870	0.9
153.09084	2.0
153.12878	0.5
154.08603	0.8
155.07016	1.9
156.09300	1.3
157.01472	0.6
157.10065	1.6
157.97530	0.9
158.01230	2.7
161.02913	0.9
163.07501	1.1
163.11137	1.0
163.14810	0.9
164.07014	0.6
164.53853	0.6
166.02641	3.4
166.06244	4.7
167.07028	100.0
168.07442	1.0
170.97981	1.3
171.04439	0.7
171.08035	1.3
171.11647	1.2
175.03954	0.7
175.98531	10.0
176.02258	2.9
177.00673	1.0
181.04962	26.0
181.08563	27.3
182.08131	1.9
184.02736	2.5
184.05197	0.6
185.08136	2.0
194.03444	0.7
198.18654	0.6
199.00148	0.9
199.03932	1.9
199.05917	1.3
199.07588	3.6
199.09642	2.0
199.11340	2.4
199.15088	2.7
199.18889	55.8
200.05180	0.7
200.09123	0.5
202.03923	1.5
217.05038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0964
Annotation	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Peak:m/z	Relative Intensity
51.02320	0.6
53.03879	2.6
55.01804	4.3
55.05437	6.0
55.05728	0.8
56.05791	1.2
56.96491	6.4
57.03365	1.9
57.07003	2.4
57.07277	1.0
57.93520	1.0
59.06050	3.3
60.04471	0.9
61.02839	0.7
61.22017	0.4
65.03869	1.8
67.05428	6.3
69.03416	3.7
69.06993	8.2
69.07401	0.8
70.06541	1.1
70.07336	1.2
71.04906	2.0
71.06084	0.7
71.08562	1.0
72.04445	2.0
72.08103	1.1
73.02853	1.1
74.09715	9.8
75.94564	0.7
77.03869	0.6
77.98559	0.4
79.05487	20.9
79.05909	1.1
81.03340	1.8
81.04487	0.7
81.07054	8.3
83.01276	0.6
83.04980	2.6
83.06047	1.3
83.08614	4.5
84.04444	0.5
84.08075	0.7
84.08900	1.3
85.02823	2.3
85.06467	1.5
85.07614	1.1
86.05998	0.9
86.09637	1.7
87.05542	1.2
89.05959	0.6
91.05473	20.6
91.72108	0.5
92.05733	0.6
93.07036	42.1
93.95634	0.5
95.04961	12.9
95.05959	0.6
95.08591	4.1
97.02879	3.1
97.06538	4.8
97.07592	0.9
97.10097	1.4
98.05990	0.6
98.07042	0.4
98.10500	0.7
98.97572	9.0
99.04430	0.9
99.09183	0.6
100.07591	3.7
100.11146	0.6
103.05461	6.2
105.03340	1.1
105.04433	1.5
105.06963	1.9
107.01223	0.5
107.04954	3.9
107.08602	3.5
108.04406	0.6
108.08012	0.5
109.06500	2.6
109.07605	0.5
109.10126	1.2
110.03587	0.6
110.06048	3.2
111.04436	7.4
111.05505	1.0
111.08044	4.5
111.11654	1.9
113.05925	0.9
115.05447	1.0
115.07531	0.6
116.96514	0.6
116.97252	8.8
116.98602	12.9
119.01812	1.0
119.04871	0.9
119.08514	0.8
120.05688	1.2
121.02847	0.7
121.06496	47.8
121.10090	2.2
122.05975	0.6
122.06973	0.8
123.04414	3.6
123.08054	12.4
125.02332	1.2
125.05925	2.1
125.09563	1.5
127.03870	1.1
127.07502	0.6
128.06181	1.5
129.06987	0.6
131.04996	0.5
131.99483	2.2
133.02809	1.0
134.95770	0.7
134.99646	24.3
135.04338	0.9
135.08057	2.7
135.11676	1.3
136.07552	0.8
137.02313	7.3
137.05933	1.4
138.03114	0.6
138.06613	0.9
138.09189	0.5
139.03926	3.2
139.07526	32.5
139.11133	0.7
139.98747	0.7
140.00212	0.5
140.04678	7.9
140.08105	1.0
143.08531	1.6
146.99632	1.0
147.04373	1.2
148.05173	1.5
148.96185	0.7
149.05971	12.4
151.03857	0.9
152.06026	0.6
152.96893	3.1
153.00685	7.6
153.01805	2.1
153.05441	1.5
153.06870	0.9
153.09084	2.0
153.12878	0.5
154.08603	0.8
155.07016	1.9
156.09300	1.3
157.01472	0.6
157.10065	1.6
157.97530	0.9
158.01230	2.7
161.02913	0.9
163.07501	1.1
163.11137	1.0
163.14810	0.9
164.07014	0.6
164.53853	0.6
166.02641	3.4
166.06244	4.7
167.07028	100.0
168.07442	1.0
170.97981	1.3
171.04439	0.7
171.08035	1.3
171.11647	1.2
175.03954	0.7
175.98531	10.0
176.02258	2.9
177.00673	1.0
181.04962	26.0
181.08563	27.3
182.08131	1.9
184.02736	2.5
184.05197	0.6
185.08136	2.0
194.03444	0.7
198.18654	0.6
199.00148	0.9
199.03932	1.9
199.05917	1.3
199.07588	3.6
199.09642	2.0
199.11340	2.4
199.15088	2.7
199.18889	55.8
200.05180	0.7
200.09123	0.5
202.03923	1.5
217.05038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.2
55.01868	22.0
56.96557	15.1
57.03436	90.5
58.99860	7.5
59.05023	5.3
61.02922	36.9
67.42268	4.3
69.03432	65.7
70.06583	10.6
71.01350	18.6
71.04999	26.7
71.06918	5.6
71.12920	9.6
72.18201	4.6
73.02547	7.4
73.02921	89.5
74.03663	5.1
74.53654	4.2
75.04480	7.0
77.00898	12.3
81.03414	62.4
85.02902	96.7
85.32456	3.8
85.66397	4.5
86.03239	4.7
86.03687	49.4
86.11755	4.3
87.04453	18.1
88.02680	12.7
94.61759	5.0
95.03443	4.7
96.02416	6.4
97.02879	66.9
98.97567	27.0
99.04425	22.8
99.61192	4.8
100.00115	5.6
100.02673	12.1
100.05251	29.3
100.05786	4.7
101.00884	28.6
101.02419	6.4
101.03436	12.5
102.02443	13.0
106.02668	4.9
107.03458	4.9
109.02802	33.6
110.03950	4.7
110.97596	4.9
111.02953	11.4
112.42913	4.4
113.00823	5.7
113.03483	4.9
114.02362	6.0
114.18603	5.4
115.02419	11.7
115.03173	9.4
116.98608	23.4
118.01090	23.3
118.03646	6.2
118.60617	4.6
119.01920	100.0
119.03475	4.1
120.02038	11.1
121.03211	9.1
123.02880	6.4
124.03680	4.7
126.02539	5.9
126.03440	4.4
126.55237	4.2
127.03914	32.1
128.04008	4.3
129.02885	8.6
130.03697	17.5
131.01898	72.2
131.02812	5.6
132.01929	4.6
133.03447	28.4
134.99672	17.3
136.03702	8.7
136.07623	6.4
137.02908	14.7
137.04471	5.3
138.03430	13.5
138.09044	4.8
139.04219	18.0
142.01181	5.8
142.03659	14.7
143.01915	17.8
144.03450	10.5
145.03233	21.6
145.04271	16.5
145.05185	4.6
146.99593	7.3
147.01418	6.1
147.03990	5.4
147.05069	6.3
148.04787	9.0
148.54854	5.4
149.02930	22.8
151.04282	19.0
151.54247	5.6
152.07027	4.9
153.00706	7.5
153.03957	9.5
153.06607	16.2
154.04733	14.4
155.01863	15.2
155.13695	5.2
156.02681	15.8
157.03487	56.6
159.05089	6.8
160.02205	24.3
160.04727	26.3
161.02997	37.3
163.04428	4.8
165.03882	7.4
167.01878	4.9
169.03479	6.7
169.05272	6.3
171.04959	6.9
172.02182	12.1
173.03015	34.0
174.03114	6.0
174.04546	6.8
175.04530	34.2
177.02400	5.3
178.05786	14.8
181.03635	7.1
181.05273	18.3
181.09737	6.1
182.08118	25.8
183.05070	6.4
184.02197	13.7
185.02980	46.2
186.03174	4.4
187.04546	7.9
190.05891	12.0
190.55942	6.8
191.04010	7.6
199.04480	14.6
199.06250	7.3
199.10701	6.8
199.18861	6.2
200.04526	6.7
202.03322	9.1
203.03987	28.3
215.04073	7.6
217.05617	24.0
217.07437	7.0
218.05992	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	197.117
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03915	0.7
53.13019	0.4
55.01863	8.4
55.05507	3.8
62.74818	0.4
67.05482	1.0
67.08105	0.6
69.03417	0.7
69.07074	0.5
69.77539	3.6
70.95860	1.5
75.97227	0.4
77.96860	0.4
79.05493	4.6
81.07050	25.1
82.07362	0.5
83.04968	0.5
91.05476	2.4
93.07029	2.5
95.04971	1.4
95.08580	0.8
97.06516	1.5
98.21446	1.0
99.04435	1.7
100.47859	0.5
105.03380	0.7
105.07030	3.8
107.08603	5.6
109.06508	11.2
109.10165	1.1
111.04409	4.6
111.98489	1.1
117.74902	0.5
119.08585	0.9
121.06452	0.9
123.11687	0.5
125.05983	14.5
125.66338	0.5
127.03922	5.2
128.06264	0.7
129.99515	0.6
132.95830	1.2
133.10110	7.3
135.11661	4.2
137.05966	100.0
137.09593	1.4
138.06372	1.7
143.08565	2.2
150.96866	4.1
151.03877	0.7
151.07504	0.6
151.11174	2.1
155.97430	1.3
161.09598	7.3
173.98457	3.0
179.10670	11.4
197.10403	0.5
197.11737	13.1
198.18494	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03939	0.5
54.16787	0.5
55.01864	1.8
55.05502	2.2
57.03432	0.7
57.07078	0.9
59.04999	1.0
63.33222	0.5
65.03944	0.6
67.05496	2.7
69.03436	1.2
69.07058	0.9
69.85687	1.5
69.86097	1.1
70.95863	3.5
71.04992	0.9
71.63477	0.4
72.93784	1.9
73.02906	1.6
79.05481	3.3
81.03383	0.5
81.07049	5.6
83.04971	1.0
83.08611	0.9
85.02939	0.7
85.03454	0.5
88.96874	0.7
90.94837	0.7
91.05470	12.4
93.07035	13.1
95.04950	2.8
95.08602	3.4
97.06542	1.7
97.10136	0.5
99.04449	0.7
105.03437	1.0
105.07022	20.2
107.04954	0.8
107.08585	100.0
108.08913	2.1
109.06524	5.2
109.10160	5.2
111.98476	3.6
113.08248	1.9
113.96413	0.7
115.05441	0.5
117.07037	0.8
119.04932	1.3
119.06055	0.7
119.08571	9.4
121.06489	3.3
121.10139	7.6
123.04426	0.6
123.08044	1.9
123.11696	2.3
124.62688	0.4
125.06011	2.4
125.09615	0.7
128.68353	0.6
129.99525	2.1
131.08556	2.1
132.95824	3.5
133.10117	58.1
134.10461	1.1
135.08037	0.6
135.11684	11.9
137.05956	6.5
137.08241	1.2
137.09612	3.5
139.07523	1.6
143.08511	0.9
146.07240	1.5
149.09619	3.6
150.96878	12.8
151.03900	3.5
151.07545	2.0
151.11166	11.5
155.09277	1.3
155.97427	5.2
161.09607	18.5
161.13290	0.5
167.10675	12.5
168.97964	0.8
173.98470	9.9
179.07176	1.0
179.10660	36.5
180.11060	0.8
197.00153	0.8
197.11717	74.4
198.12030	1.7
198.16692	0.4
198.18506	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03967	0.8
55.01867	1.2
55.05499	4.7
57.03412	1.3
57.07072	2.2
59.04998	2.5
65.03934	1.0
67.05495	7.5
68.24637	0.7
69.03413	2.1
69.07065	2.6
69.29507	6.1
69.29931	2.1
70.56041	0.7
70.95860	4.9
71.04992	1.7
71.08620	0.9
72.93782	1.8
73.02964	0.7
79.05495	6.0
81.03422	1.0
81.07047	12.2
83.04974	1.8
83.08629	2.7
83.35958	0.7
85.06538	1.3
87.49590	0.7
88.96889	1.5
90.94798	1.1
91.05476	16.5
93.07039	20.8
95.04946	7.1
95.08598	9.7
97.06527	1.6
97.10160	2.1
97.26486	0.7
101.07133	0.7
105.03384	1.3
105.07027	24.5
107.04958	1.1
107.08588	58.2
108.08929	1.0
109.06508	7.1
109.10149	9.7
111.08083	1.5
111.98492	4.0
113.08256	2.3
119.04922	2.8
119.06059	1.1
119.08575	6.5
121.06487	4.8
121.10162	1.4
123.04422	4.2
123.08084	1.5
123.11700	7.6
125.06022	1.7
129.99513	3.4
131.08572	2.0
131.97391	0.9
132.95805	6.2
133.02859	1.2
133.10120	62.9
134.10442	1.6
135.08064	1.8
135.11685	54.0
136.12056	1.1
137.05980	6.5
137.08174	0.9
137.09637	5.6
137.13271	1.2
141.05440	1.5
143.08578	1.4
146.07230	1.9
150.96872	18.2
151.03893	3.4
151.07513	1.5
151.11192	6.5
154.06364	0.8
155.09351	1.8
155.97380	6.1
156.40741	0.8
161.08275	1.6
161.09608	32.8
162.00310	0.7
167.07097	1.0
167.08537	1.0
167.10707	1.0
169.10100	0.9
173.98486	12.2
179.10664	100.0
180.10953	2.2
197.00099	1.9
197.05959	3.5
197.11723	92.9
197.13100	3.5
198.12054	2.9
198.18512	25.1
201.30499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	1.8
55.01858	2.6
55.05511	11.5
57.03427	1.4
57.07050	1.2
59.04998	2.4
65.03938	1.4
67.05504	7.5
68.99770	1.9
69.03419	2.0
69.07050	3.8
70.95865	10.7
71.01334	1.4
71.04959	1.6
71.20193	3.0
72.93791	6.0
73.02908	2.4
79.05470	6.1
81.03400	1.3
81.07060	14.6
83.04967	3.1
83.08630	1.7
85.02941	1.1
85.06513	2.1
88.96893	1.9
90.94831	1.4
91.05470	16.1
93.07043	24.2
95.04958	11.1
95.08624	5.9
97.06517	3.9
99.04455	2.9
104.69958	1.2
105.03388	2.3
105.07024	24.2
107.08592	56.9
109.06506	10.7
109.10152	6.8
111.08068	1.4
111.98446	8.2
113.08253	6.1
113.96366	2.3
117.06991	1.3
119.04914	2.3
119.08543	7.0
121.06516	6.7
121.07240	1.1
121.10103	2.6
123.04409	3.7
123.08044	2.4
123.11694	3.6
125.05992	26.3
126.10419	1.1
127.03922	9.6
129.99512	8.2
131.08582	3.0
131.97429	1.4
132.95836	11.2
133.10129	63.0
134.10445	1.6
135.08070	1.8
135.11688	49.7
137.05978	27.6
137.08223	4.4
137.09554	5.5
138.06560	1.3
139.07547	1.3
141.05438	1.0
143.08575	1.6
146.07315	1.5
150.96889	35.3
151.03899	4.7
151.07523	1.2
151.11171	7.2
153.01097	1.5
153.09036	1.5
155.09288	4.7
155.97424	12.2
161.09616	31.2
168.97963	3.0
173.98482	31.6
177.00752	1.6
179.10664	100.0
180.10976	1.9
197.00125	1.6
197.08041	2.8
197.11732	84.9
198.12088	1.5
198.18521	24.2
215.67375	1.1
218.03316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.04006	0.3
55.01936	2.0
55.05575	0.8
55.93580	0.4
56.96614	0.4
57.03474	0.3
57.07129	0.4
59.06163	0.4
65.04006	1.8
67.05568	2.2
69.03476	0.6
69.07092	0.3
70.95928	3.0
70.97388	1.0
71.01423	0.4
71.05042	0.5
71.06158	0.4
72.93853	1.9
73.02533	1.2
73.02911	21.3
77.03948	0.3
79.05542	0.6
81.07122	1.0
83.05045	0.9
83.06140	0.3
85.02947	0.3
85.06541	0.3
86.24905	0.2
88.96480	0.3
88.96979	1.1
90.94884	0.5
91.04024	0.8
91.05470	4.4
93.03425	0.4
93.07091	1.0
95.04987	2.5
95.06123	0.5
95.08670	1.0
96.05667	0.6
97.02924	0.4
97.06543	0.5
98.97633	0.5
105.03438	0.6
105.07013	1.7
107.05000	0.7
107.08578	2.9
108.02109	1.7
109.02919	0.7
109.06580	1.1
109.10148	0.5
110.03662	2.7
111.04426	2.2
111.98460	3.1
113.08257	3.5
113.96444	0.5
116.98649	0.5
117.03384	0.3
119.04948	1.8
119.08629	0.9
121.06525	0.3
123.04437	0.7
123.08100	0.3
125.05980	19.3
129.99506	3.0
132.95828	5.0
133.02827	1.6
133.06519	0.3
133.10100	2.9
133.10904	0.3
135.11734	1.5
136.01590	0.5
137.05978	4.5
137.08232	1.7
137.09592	0.8
138.05576	0.4
138.06650	1.0
140.06926	0.4
141.05464	4.6
142.04129	0.3
147.04408	0.6
149.06006	2.8
150.96878	13.8
151.03894	100.0
151.04970	6.7
151.07428	3.6
152.04207	1.3
153.01079	0.3
155.09306	1.5
155.97401	4.7
156.07681	0.3
161.02939	0.5
161.09663	1.7
165.05435	1.2
168.97890	1.2
169.06425	0.4
169.09981	0.3
173.98479	11.6
174.98666	0.4
179.07019	22.4
179.09320	1.0
179.10504	3.1
184.05960	0.3
185.03864	0.5
189.97911	0.3
191.99547	0.4
196.99928	1.2
197.04234	0.4
197.07996	10.7
197.09496	0.5
197.11726	2.8
197.17192	0.3
198.18536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01857	4.4
55.05497	3.3
57.07063	1.6
58.33668	1.0
60.59951	1.1
62.72300	1.1
65.03936	2.4
67.05502	38.4
69.03429	0.9
69.07039	3.5
70.39425	2.6
70.95854	7.8
71.04979	2.3
72.93787	6.0
79.05496	23.9
80.32933	1.0
81.03411	14.2
81.07059	9.9
83.04959	1.4
83.08617	1.0
83.17708	1.1
85.06524	2.0
88.96889	2.4
89.79187	1.2
90.94814	0.9
91.05476	85.3
93.07037	8.0
95.04965	62.3
95.08604	6.0
96.05461	0.9
97.06519	1.9
105.03373	1.8
105.04504	5.7
105.07027	6.1
107.08580	11.0
109.06507	10.7
109.10166	4.9
111.98485	9.2
113.06007	1.2
113.08238	4.1
113.96409	1.1
119.04929	4.1
119.08546	2.7
121.06528	2.3
121.10114	1.6
123.04421	100.0
123.08022	1.3
123.11691	2.2
124.04760	1.5
124.90173	1.0
125.05955	1.8
129.99507	7.5
132.95824	9.1
133.10112	9.1
135.11685	9.1
137.05965	21.7
137.08215	2.0
137.09630	2.2
138.06662	1.5
141.06961	2.0
147.04469	1.1
150.96873	28.8
151.03926	6.2
151.07542	13.6
151.11148	2.7
153.01085	1.1
154.06169	1.2
155.09244	4.0
155.10562	1.5
155.97406	10.3
159.74603	1.1
161.09572	3.5
165.05493	2.4
173.98480	27.1
179.07054	2.3
179.09270	1.7
179.10657	14.4
179.14288	1.8
183.06508	2.8
197.00029	5.0
197.06018	1.5
197.08040	4.5
197.09711	2.3
197.11707	12.1
197.13274	2.8
197.17346	1.2
198.18506	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	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
52.73926	0.8
53.03943	12.1
55.01854	3.3
55.05481	1.6
57.07066	1.7
65.03928	2.6
67.05500	33.2
67.37238	0.7
69.07049	2.6
69.97217	3.1
69.97621	1.5
70.95859	7.8
71.04987	2.5
72.93777	3.6
73.02906	1.2
77.03902	1.7
79.05490	27.3
80.75917	0.8
81.03413	12.8
81.07049	8.2
88.96901	1.6
91.05476	83.5
92.05777	1.1
93.07037	7.0
95.04966	61.1
95.08612	4.7
97.06522	2.0
97.10145	1.0
105.03394	1.2
105.04527	4.4
105.07030	3.4
107.08594	8.8
107.90599	0.8
109.06522	8.7
109.10137	3.6
111.98476	5.7
113.08247	2.4
113.96388	1.2
119.04891	5.0
119.08533	2.2
121.06502	1.6
121.10081	1.7
123.04423	100.0
123.08043	2.3
123.11679	1.0
124.04740	1.0
125.06000	2.0
125.81041	1.0
129.99512	5.6
132.95810	8.2
133.02779	1.2
133.10153	6.0
135.11664	6.2
137.05974	23.2
137.08278	1.2
137.09520	1.6
145.73863	0.8
147.04425	1.7
150.96887	24.2
151.03889	4.0
151.07533	12.9
151.11148	1.3
155.97375	7.6
161.09595	3.9
161.13222	1.1
165.05504	1.4
168.97917	1.4
173.98494	19.3
177.61545	0.9
179.07043	1.9
179.09271	1.6
179.10661	12.7
179.14261	1.6
182.10884	1.3
183.06538	3.1
197.00092	2.6
197.05975	1.9
197.08061	2.5
197.09859	2.1
197.11732	9.9
197.13284	1.3
197.15288	1.1
198.18546	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	196.0604
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
55.05531	0.7
56.96564	1.3
65.03954	1.0
69.03428	0.8
70.85845	0.8
70.86195	1.4
70.95850	3.8
72.93802	2.1
80.05009	13.9
81.07076	0.7
82.03741	0.8
84.01398	0.6
87.00829	8.4
91.05472	1.0
92.04991	4.5
92.83329	0.7
93.03448	0.7
96.05638	0.8
104.04990	1.9
105.01859	0.8
108.03698	1.7
108.03924	0.9
108.04471	57.2
110.06034	72.1
111.04448	2.1
111.06322	1.1
111.98484	3.0
113.96403	0.9
129.99506	1.7
131.97450	0.8
132.04451	9.6
132.08916	0.7
132.95798	4.2
136.03926	96.1
137.04272	1.8
146.03242	1.7
147.04427	0.8
149.97150	1.5
150.06468	0.7
150.96855	10.3
151.03897	1.1
154.04913	1.2
155.97392	5.0
160.03940	11.5
172.98860	1.1
173.98473	10.8
178.04967	100.0
179.05318	2.4
179.10490	1.0
182.25885	0.7
196.06029	14.9
196.09616	0.8
196.16908	3.4
196.99875	0.8
197.05951	0.8
197.11684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01855	3.8
55.05495	4.5
56.05026	10.5
56.96561	51.2
57.03430	15.0
57.07026	1.9
59.04986	2.6
60.01231	2.1
61.02896	6.1
67.05491	5.0
68.02635	2.2
68.05007	7.3
69.03423	20.9
69.07050	5.2
69.96149	5.9
70.02947	13.0
70.06590	22.9
70.33679	5.1
70.34084	2.6
70.95859	20.8
70.96233	2.8
70.98130	3.0
71.04962	5.3
71.95233	3.2
72.93793	12.5
73.02911	30.9
79.05495	4.4
80.05013	32.1
81.03426	9.6
81.07053	4.7
82.03738	7.2
82.06579	34.2
83.04971	4.9
83.06062	3.0
84.04490	5.5
84.08121	2.6
84.96021	4.7
85.02900	18.0
85.36167	1.8
87.04463	2.3
88.96883	5.3
90.94805	3.6
91.05472	4.8
93.07038	2.0
94.06563	6.0
95.04940	5.3
95.06037	2.3
95.08570	4.6
96.04471	4.5
96.08113	12.8
97.02879	19.4
97.07648	29.4
98.06019	2.4
98.97573	41.7
99.04446	2.8
101.07143	4.1
106.06562	14.1
107.04964	2.9
107.08620	3.1
108.04457	5.6
108.08115	3.6
109.02867	6.3
109.06499	7.4
109.07642	12.9
110.01229	2.9
110.03154	4.7
110.06037	28.5
110.97542	2.7
111.04417	2.8
111.05560	1.9
111.98470	14.2
113.07072	3.5
113.96402	2.8
115.03887	4.7
116.98608	32.5
118.02877	2.2
118.03720	5.4
119.01820	6.4
122.05999	4.5
123.04388	2.5
123.06802	10.8
123.09177	20.6
124.07588	8.0
125.07103	76.9
126.06346	2.1
127.00624	1.9
127.03918	5.4
127.08676	9.9
128.02260	9.2
128.98595	9.5
129.99538	12.9
131.00145	5.5
131.01826	3.8
131.96162	10.8
131.99699	4.6
132.95833	23.0
133.10103	4.4
134.06027	13.8
134.99644	17.6
136.03903	4.1
136.07571	4.5
137.05969	13.1
139.05013	2.4
139.08629	3.5
140.02278	4.1
140.52721	2.2
143.08116	3.3
145.01686	2.5
146.03156	7.6
146.99663	9.3
147.03275	3.5
148.02805	3.3
149.01230	4.8
149.02840	6.5
149.97197	29.1
150.00713	7.8
150.05388	3.6
150.06441	3.8
150.09154	2.1
150.96881	57.4
151.08650	56.7
152.07039	4.2
153.00748	3.2
153.05406	3.8
153.06573	28.8
153.07794	2.8
154.05876	2.7
154.97690	7.4
155.08142	72.5
155.09258	2.5
155.97427	25.3
158.99634	14.2
160.07561	2.5
161.01221	4.5
162.05470	2.9
162.99158	2.8
163.02789	5.5
163.04343	2.0
165.00708	4.1
165.05472	2.3
167.98270	4.3
168.01848	4.9
168.11301	20.8
168.97937	4.4
172.95306	5.1
172.98796	15.6
173.01205	5.6
173.98482	54.2
174.00711	3.0
175.02800	2.8
175.04393	7.2
177.00697	24.1
178.04903	5.7
178.05788	9.3
178.07101	2.6
178.08594	6.3
179.08096	4.9
179.10663	4.4
181.03716	2.1
184.04903	24.3
184.55066	4.8
185.03888	3.8
185.05647	2.6
187.02750	3.1
189.00659	6.4
190.96364	3.7
190.98573	4.7
191.02263	7.6
192.01680	2.5
194.04463	9.8
195.55620	4.2
196.05992	7.5
196.10954	100.0
196.16920	7.0
196.99966	3.1
205.03795	7.7
219.01799	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	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.67506	1.4
55.01866	3.0
55.05504	15.1
57.03427	1.4
57.07067	13.0
58.10036	1.4
65.03935	1.8
67.05501	14.3
69.03415	4.5
69.07067	23.8
69.94360	3.5
69.94765	4.7
71.04980	5.8
75.15398	1.4
79.05490	16.4
79.96329	1.2
81.03388	5.5
81.06576	2.5
81.07053	45.2
83.04964	3.7
83.08622	12.6
85.06525	3.9
89.03916	8.6
89.06033	2.6
91.05486	11.6
93.07040	28.9
95.04968	4.9
95.08601	64.0
96.08925	2.6
97.02871	1.5
97.06518	4.0
97.10155	5.8
99.08086	8.7
103.05421	2.7
105.07043	9.3
107.04952	26.7
107.08591	55.9
108.05262	1.6
109.02891	1.9
109.06532	3.1
109.10163	18.2
111.04435	5.4
111.08071	5.6
113.09718	2.0
115.05437	2.2
117.03371	20.8
117.07015	3.3
119.08566	3.4
121.02861	2.2
121.06506	6.6
121.10140	73.8
123.08111	2.5
123.11705	15.0
125.05971	5.8
125.09611	8.6
125.46104	1.5
125.65530	1.5
131.08591	1.6
133.02866	4.9
133.06516	4.0
134.03635	5.3
135.04419	7.9
135.08020	6.5
135.11681	32.1
137.13248	100.0
138.06596	6.5
139.07532	2.0
139.11154	4.2
145.02844	38.8
145.03983	2.6
149.05959	9.9
149.09590	2.6
149.13237	11.1
150.06308	1.7
151.07547	5.9
151.14767	2.1
153.05457	10.3
153.12671	1.9
159.00055	1.6
159.11690	3.2
161.05930	2.4
163.03905	17.6
163.07503	5.3
165.05469	2.9
165.06931	3.3
167.07053	5.3
167.08438	3.0
176.33818	1.3
177.05467	61.2
177.09079	3.7
177.12830	3.1
177.16380	93.3
178.05830	2.8
186.05481	2.3
195.02905	4.3
195.06480	7.0
195.08499	9.5
195.10182	5.3
195.11771	5.6
195.13783	5.5
195.17444	57.9
211.33206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03941	1.0
55.01859	1.2
55.05255	0.7
55.05506	8.6
57.03435	1.0
57.06361	0.4
57.07072	9.7
59.04992	0.5
61.55069	0.5
65.03941	1.3
67.05502	5.9
69.03429	1.9
69.07060	15.8
69.98959	1.0
69.99372	1.5
71.04968	2.2
71.08612	1.1
72.78030	0.4
77.03925	0.6
79.05045	0.9
79.05483	9.7
81.03415	1.3
81.07050	27.8
83.04980	1.0
83.08614	11.6
83.81976	0.5
85.06531	1.7
89.03919	1.3
89.06052	1.2
90.61222	0.4
91.05464	6.7
93.03407	0.5
93.07037	19.5
95.04960	2.6
95.08598	50.2
96.08938	0.5
97.06527	2.1
97.10165	3.3
99.08078	4.9
103.05463	2.0
105.07018	5.8
107.04945	23.1
107.08585	50.2
108.08890	0.8
109.02860	0.5
109.06516	2.4
109.10144	14.2
111.04433	1.8
111.08058	4.1
111.11726	1.2
113.09649	0.8
115.05444	1.4
117.03368	2.0
117.06990	0.8
119.04906	0.5
119.08503	2.2
120.05728	1.0
121.02847	0.7
121.06506	1.5
121.10132	76.5
122.10439	1.0
123.08067	1.9
123.11703	13.9
125.05977	2.1
125.09631	4.0
130.32184	0.4
131.04944	0.5
133.02835	0.8
133.10123	2.5
135.04378	1.7
135.08044	6.7
135.11678	23.2
136.11937	0.6
137.09602	1.3
137.13240	100.0
138.06625	1.9
138.13603	1.1
139.03891	0.8
139.11209	2.6
144.05698	0.5
145.02835	4.6
145.07608	0.7
147.10286	0.4
148.97327	0.8
149.05995	2.4
149.09610	1.8
149.13240	7.8
151.07510	1.4
151.11195	0.8
151.14809	1.8
153.05475	2.4
154.06233	1.1
159.11700	1.3
163.03885	4.1
163.07529	11.9
165.07011	1.1
167.07033	6.2
171.99028	0.5
177.05446	7.9
177.09116	1.5
177.12915	1.7
177.16371	92.1
178.16699	2.0
180.07845	1.1
180.09311	0.7
195.02951	1.0
195.06500	1.2
195.08658	2.5
195.10170	9.8
195.11708	1.8
195.13774	1.9
195.17427	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.05507	9.6
57.07071	11.2
61.86113	0.9
67.05508	6.2
69.07062	16.3
71.04989	3.3
71.51977	1.8
74.74942	1.1
79.05486	7.8
81.07051	27.6
83.08612	13.0
84.03356	0.9
85.06544	2.0
87.16083	1.1
89.03937	2.1
91.05464	6.3
93.07032	21.4
94.92323	1.1
95.04951	2.1
95.08600	61.5
96.08958	1.0
97.06504	1.0
97.10157	3.0
97.27152	1.0
99.08075	4.0
103.05473	1.2
105.07017	4.7
107.04935	8.6
107.08588	55.2
109.06522	1.3
109.10159	15.3
111.08057	2.0
113.04166	1.0
117.03372	3.7
119.08571	2.5
121.02861	2.6
121.06565	1.6
121.10135	76.4
123.11698	12.3
125.09612	5.9
132.40598	1.1
135.04437	1.2
135.08061	2.3
135.11688	24.7
137.13246	99.4
138.06476	1.1
139.11162	3.6
145.02814	5.3
149.05959	2.0
149.09682	1.1
149.13240	8.4
151.14742	1.9
153.05438	1.8
163.03900	1.5
163.07495	1.9
167.07063	2.1
177.05440	7.8
177.16376	100.0
178.16747	2.0
195.08664	2.9
195.10178	3.2
195.11732	1.4
195.17438	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
55.05510	8.3
56.06115	0.7
57.03422	2.0
57.07077	11.5
65.03947	1.7
67.05505	6.8
69.03420	1.5
69.06719	1.1
69.07065	15.0
69.15960	0.8
70.96741	1.7
70.97083	0.8
71.04985	1.9
71.08618	1.4
79.05489	9.6
80.59187	0.8
81.03407	1.6
81.07054	27.9
82.07352	0.7
83.04976	1.1
83.08614	10.4
85.06527	2.7
88.98611	0.8
89.03891	3.8
89.06009	1.7
91.05471	6.1
92.75272	0.8
93.07040	19.0
95.04958	1.7
95.08601	52.3
97.06499	2.4
97.10152	3.5
98.21396	1.0
99.08068	1.2
103.05493	1.4
105.07031	5.4
107.04947	7.7
107.08588	46.0
108.40793	0.7
109.06521	1.3
109.10159	15.2
110.07140	1.0
111.08064	3.3
113.09601	1.4
117.03382	8.4
118.61455	0.7
119.08558	2.8
121.02883	0.9
121.06522	1.7
121.10138	74.6
123.08075	1.4
123.11691	13.4
125.05984	1.9
125.09634	4.5
131.08553	1.4
133.02826	1.0
133.10133	1.8
134.03589	1.0
135.04408	2.7
135.08069	2.6
135.10669	1.7
135.11687	25.6
137.13246	100.0
138.06622	2.5
139.11166	3.0
145.02841	13.7
148.97343	0.9
149.05939	4.5
149.09607	2.7
149.13272	8.4
151.07538	1.9
151.14810	2.2
153.05469	3.7
159.11690	1.3
163.03897	6.8
163.07552	1.9
165.05437	1.1
165.06973	1.7
167.06993	1.7
171.98981	1.0
177.05486	23.2
177.09160	2.1
177.12842	2.8
177.16380	88.2
178.16772	1.6
180.09282	1.2
186.05618	1.0
195.02957	2.1
195.06546	2.2
195.08699	4.1
195.10188	3.1
195.11772	2.1
195.13759	2.9
195.17442	49.9
196.09755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03935	3.2
53.82236	1.2
54.52719	1.4
55.01862	4.0
55.05503	30.6
56.96551	1.5
57.03412	6.0
57.07071	16.9
59.04987	3.8
65.03924	4.7
67.05170	2.0
67.05499	26.6
68.96323	1.8
69.03408	4.8
69.07063	43.6
69.51716	12.6
71.04633	1.4
71.04983	8.7
71.08611	3.2
79.05486	29.8
81.03410	9.2
81.07050	74.5
83.04971	5.8
83.06059	1.2
83.08620	22.5
84.08121	1.7
85.02897	1.6
85.06537	16.7
85.10144	1.9
89.03898	4.8
89.06029	7.6
89.06482	1.3
91.05467	15.5
93.03400	1.4
93.07040	56.4
95.04954	8.7
95.08597	100.0
97.06499	7.5
97.10166	20.4
98.97572	2.4
99.04419	1.8
99.08086	10.7
103.05466	2.2
104.90203	1.6
105.07040	11.0
107.04927	13.0
107.08584	77.2
108.08881	1.7
109.02846	5.7
109.06548	7.2
109.10149	35.5
109.98928	1.8
110.07153	2.4
111.04408	5.8
111.08059	6.6
111.11722	6.3
111.87699	1.3
113.09627	2.9
116.98627	1.6
117.03375	9.9
117.06989	1.5
119.04913	2.1
119.08595	3.6
121.02859	1.5
121.06504	5.6
121.10130	87.8
122.10473	1.4
123.04483	1.6
123.08047	3.4
123.11687	13.2
125.05953	8.4
125.09639	7.6
125.13274	1.7
131.08528	4.0
133.02817	4.2
133.10123	2.2
134.03568	1.5
135.04410	6.6
135.08058	8.5
135.10677	2.2
135.11678	33.9
136.05038	1.6
137.05960	3.1
137.09618	8.5
137.13237	17.8
138.06624	22.2
139.03912	2.3
139.11157	6.3
145.02814	19.9
148.97331	5.1
149.02335	1.9
149.05977	8.3
149.09601	9.1
149.13249	11.2
149.97169	1.8
151.03889	2.5
151.07549	5.9
151.14803	6.8
153.01779	4.7
153.05458	13.3
153.09088	1.7
153.12755	4.4
153.97839	2.1
159.11630	3.9
163.03848	13.5
163.07503	1.9
165.05421	3.7
165.06972	4.9
165.16299	1.7
167.07021	4.1
167.08514	3.3
171.98924	3.6
172.98889	1.6
177.05444	30.9
177.06853	2.6
177.09065	6.8
177.12929	6.4
177.16373	83.3
178.04927	1.7
180.07869	1.6
180.09352	4.0
195.02907	4.9
195.06512	21.6
195.08707	33.0
195.10219	8.0
195.11717	8.5
195.13779	4.7
195.15630	1.9
195.17451	37.4
196.06929	1.5
196.17047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	2.7
55.01867	2.2
55.05499	7.9
56.96555	3.2
57.03419	1.8
57.07068	1.8
58.06794	0.9
63.06956	1.0
65.03923	2.2
67.05502	30.5
69.03419	1.3
69.07069	7.3
70.06577	1.3
70.79015	2.8
71.04998	5.1
71.95247	3.9
72.93774	1.9
79.05059	1.4
79.05492	23.3
81.03410	5.2
81.07052	100.0
83.04980	3.5
83.08600	2.7
85.06531	4.5
87.04473	1.2
89.03927	2.7
89.06042	6.3
91.05463	9.3
93.07035	42.7
93.07625	2.1
94.07391	0.9
95.04963	7.2
95.08603	43.0
97.06503	3.5
97.10155	1.0
99.04483	1.1
105.07012	6.9
105.45357	0.9
107.04965	8.3
107.08590	22.9
108.94992	0.9
109.02866	2.2
109.06516	2.2
109.10147	4.1
111.04436	1.5
111.08012	2.2
113.96393	1.4
117.03362	4.5
117.07010	4.0
118.03516	2.2
119.08595	2.8
121.06488	3.7
121.10139	12.5
123.11632	1.4
125.05964	2.4
128.00024	1.4
128.12830	1.1
130.96339	2.3
130.98909	1.0
131.08549	4.8
131.96123	1.5
131.97409	3.8
133.02859	4.8
133.06458	3.0
133.08574	2.1
133.10127	7.6
135.04433	7.5
135.08038	5.0
135.11684	32.3
137.09628	1.9
137.13231	1.8
138.06622	3.9
139.07541	2.3
145.02808	6.8
148.97353	8.6
149.01244	1.3
149.05986	4.6
149.09622	3.9
149.13260	13.3
149.97185	7.2
152.06232	1.6
153.05453	2.4
153.09019	1.4
153.97845	3.4
154.06239	1.6
154.97742	1.4
155.08348	1.2
155.72369	0.9
159.11674	11.8
160.05585	1.1
163.03893	67.1
164.04216	2.4
165.05783	1.1
165.06944	6.6
167.07187	1.0
167.08574	2.8
167.98210	1.1
171.98959	5.8
172.98782	2.7
177.05466	18.4
177.09109	4.0
177.11208	1.5
177.12735	13.2
177.16370	4.4
179.08603	2.0
180.09322	7.8
195.00439	1.1
195.02899	4.0
195.06468	2.3
195.08357	7.3
195.10181	3.3
195.11716	14.2
195.13795	14.5
195.15536	1.8
195.17465	2.7
196.16911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03940	0.9
55.01861	1.4
55.05495	1.3
57.03423	1.2
57.07064	0.5
62.54079	0.3
65.03932	4.0
67.05505	2.3
68.99784	0.4
69.03418	0.7
69.07068	2.7
71.04990	11.9
71.63266	0.7
79.05485	6.4
81.03419	2.2
81.07045	4.1
83.04990	0.8
83.08602	0.9
85.06521	0.6
89.03918	1.2
89.06009	1.2
91.05473	4.9
93.03394	4.6
93.07040	3.7
95.04980	3.7
95.08604	4.0
97.02868	0.4
97.06519	0.7
97.10155	0.4
103.05464	22.0
105.07032	8.3
105.80289	0.4
107.04950	34.1
107.08576	4.5
109.02871	1.2
109.06535	0.8
109.10116	1.2
111.04433	5.9
111.08089	0.9
111.11704	0.7
113.09631	5.3
115.05440	3.0
117.03339	2.5
117.06991	1.3
119.08588	0.6
120.05730	2.0
121.02824	0.4
121.06503	2.1
121.10140	4.1
123.04397	0.6
123.11715	2.6
124.05217	2.2
125.05991	1.9
131.04939	3.6
131.39964	0.5
133.02837	1.0
133.06468	1.0
133.10115	0.5
134.96771	0.5
135.04411	2.2
135.08051	19.2
135.11656	2.6
137.05972	0.8
137.13287	1.5
138.06609	1.3
139.03893	25.2
139.07576	0.5
139.11150	0.6
145.02858	5.4
145.03960	0.8
145.06519	0.5
145.07585	0.7
148.05200	0.8
148.97383	0.6
149.05968	2.0
149.09599	0.8
149.13240	0.8
153.05428	1.3
154.06238	100.0
155.06564	1.5
159.11716	0.6
163.03925	4.6
163.07538	35.6
164.07982	0.6
165.05548	1.0
165.07004	1.4
167.07037	5.4
167.08430	0.6
169.46489	0.4
177.05460	7.6
177.09065	1.0
177.12756	1.1
177.16368	2.7
180.07805	0.9
180.09334	0.7
195.02933	0.7
195.06505	1.6
195.08614	1.6
195.10161	10.0
195.11719	1.4
195.13849	1.3
195.17448	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	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03938	1.8
54.51226	0.5
55.01872	2.4
55.05505	5.1
56.96552	0.7
57.03421	1.5
57.07065	2.2
65.03944	5.6
65.50031	0.4
67.05497	6.0
68.59308	0.5
68.96308	0.5
68.99778	0.7
69.03426	1.7
69.07061	6.5
70.49742	1.0
70.50139	1.2
71.01350	0.8
71.04993	2.4
77.03894	0.6
78.04680	0.6
79.05491	12.0
81.03413	2.8
81.07056	21.6
83.04971	2.1
83.06105	0.4
83.08627	3.0
84.08118	0.6
85.06557	2.6
89.03913	3.4
89.06022	3.9
91.05482	8.2
93.03400	5.2
93.07042	12.5
95.04967	5.5
95.08609	16.8
97.06531	2.0
97.10165	2.3
99.08105	3.5
101.88329	0.5
103.04781	1.1
103.05466	21.0
105.07025	11.6
106.04189	0.8
107.04954	40.3
107.08589	12.3
109.02862	2.8
109.06522	7.2
109.10152	5.1
111.04430	8.1
111.08054	1.7
111.09323	0.5
111.11706	0.6
113.09637	0.9
115.05460	3.0
117.03375	7.2
117.07031	2.3
119.06069	0.6
119.08585	1.6
120.05721	2.2
120.07743	0.5
121.02888	1.0
121.06512	4.1
121.10141	14.4
121.11017	0.8
123.08064	1.3
123.11699	3.2
124.05224	2.4
125.05978	4.3
125.09612	2.2
130.96317	0.8
131.04919	4.2
131.08578	1.9
131.97447	0.7
132.05719	0.7
133.02855	2.5
133.06499	1.0
133.08597	0.8
133.10135	1.4
134.03642	1.5
135.04424	7.3
135.08054	19.5
135.11687	9.3
136.05096	0.5
137.05981	1.7
137.09619	0.9
137.13245	7.3
138.06631	1.4
139.03897	26.0
139.07497	0.8
139.11159	1.3
145.02847	13.4
145.03967	1.3
145.06538	1.0
145.07582	1.0
148.05156	0.7
148.97380	2.6
149.05981	5.5
149.09645	2.8
149.13249	3.1
149.97174	1.2
150.03062	0.6
151.07559	1.3
152.04791	0.6
152.06204	0.7
153.05469	5.1
153.09070	1.0
153.97844	0.7
154.06244	100.0
155.06621	1.5
159.11671	1.7
163.03899	15.1
163.07539	39.7
165.05519	1.2
165.07025	4.4
167.07031	5.7
167.08546	1.6
171.98997	1.9
172.98749	0.6
177.05463	22.7
177.09106	2.7
177.11292	0.8
177.12740	3.2
177.16389	13.3
179.08551	0.6
180.07796	1.7
180.09364	3.4
186.05518	0.7
195.02895	2.5
195.06793	3.5
195.08487	3.3
195.10165	14.4
195.11760	6.6
195.13811	3.2
195.15752	0.9
195.17436	5.6
201.27776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.56860	0.7
53.03929	1.0
55.01853	1.7
55.05495	2.0
55.37277	0.5
56.05023	0.8
56.96553	1.2
56.97340	0.5
57.03433	1.3
57.07058	0.9
57.25636	0.7
59.06105	0.6
65.03928	2.7
67.05495	3.0
68.99775	0.6
69.03424	1.5
69.04543	1.8
69.07067	3.0
69.61219	4.3
71.01340	0.6
71.04974	2.5
79.05483	6.1
81.03412	8.7
81.07042	5.7
82.06528	0.6
83.04948	1.9
83.06105	1.3
83.08611	1.7
84.08144	0.7
85.02878	2.0
85.06557	0.6
87.71050	0.5
89.03906	18.6
89.06034	3.1
91.05482	5.7
93.03381	2.6
93.07043	7.1
94.06598	0.6
95.04962	4.6
95.08590	3.8
97.02831	1.0
97.06533	1.3
98.20741	1.1
98.97575	1.2
99.04465	0.8
103.05447	2.5
105.03406	0.9
105.07026	3.2
106.04189	1.4
107.04944	20.3
107.08591	5.7
108.05550	0.8
109.02872	3.7
109.06500	2.3
109.10127	3.0
110.07179	4.9
111.04431	7.8
111.05570	0.6
111.08035	1.3
113.77832	0.6
114.12873	0.6
115.05396	0.8
116.98598	1.0
117.03369	37.9
117.07001	1.6
118.86848	0.5
119.04961	1.6
119.08572	1.3
121.02874	0.7
121.06488	3.9
121.10122	5.5
122.07166	0.8
123.04386	1.1
123.08028	1.1
123.11716	0.6
124.05200	1.1
125.05990	6.9
125.09625	0.8
127.03891	0.8
130.96274	0.9
131.08553	1.8
133.02834	2.3
133.06480	0.6
133.08572	1.1
134.03624	6.0
135.04399	11.6
135.08044	5.5
135.10805	0.7
135.11713	4.1
136.05057	0.8
136.08752	0.9
137.05963	2.1
137.06967	0.6
137.09581	1.3
137.13263	1.1
138.06612	26.1
139.03876	1.5
139.07497	0.8
139.11157	0.8
145.02832	73.6
148.08672	0.8
148.97351	2.8
149.05972	18.9
149.09576	4.2
149.13249	1.1
151.07523	0.9
153.05461	16.7
153.06720	0.8
153.97928	0.9
154.06279	0.7
156.05963	0.6
162.03088	1.9
163.03896	19.4
163.07559	3.5
165.05534	1.6
165.07019	2.0
166.07495	0.6
167.03328	0.8
167.07060	5.2
167.08386	1.3
171.98975	2.1
175.14769	0.6
177.05457	100.0
177.12698	1.4
177.16377	2.3
178.05859	1.0
180.07861	0.7
180.09355	1.4
186.05487	3.2
192.75020	0.6
195.02882	2.7
195.06535	7.0
195.08745	42.1
195.10217	7.5
195.11734	3.6
195.13794	2.5
195.17467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	1.0
55.01860	0.7
55.05508	1.1
56.96537	0.5
57.03428	0.7
65.03930	1.1
67.05490	1.6
68.96335	0.8
69.03432	1.4
69.07053	1.4
70.22259	1.7
70.22634	0.7
71.04982	1.6
71.42486	0.4
73.72134	0.5
78.04718	0.7
79.05483	2.6
80.64977	0.4
81.02969	0.8
81.03413	11.2
81.07050	2.2
83.04984	0.6
83.08616	0.5
84.08131	1.2
85.02890	1.6
89.03909	17.0
89.06023	2.6
91.05466	3.3
93.03363	0.7
93.07036	2.9
95.04966	1.9
95.08593	1.7
97.06499	0.4
97.07612	0.4
98.97558	1.1
99.04410	0.6
99.05590	0.4
103.05460	1.4
105.07024	1.2
106.04144	1.4
107.04948	3.8
107.08578	2.0
109.02876	6.3
109.06522	0.5
109.07670	0.4
109.10147	0.8
109.98920	0.7
111.04446	3.0
114.89344	0.5
116.98595	0.6
117.03367	35.8
119.04887	0.7
121.02888	0.5
121.06491	1.7
121.10130	2.3
123.08099	0.7
124.05133	0.6
125.05988	2.5
125.06875	0.5
127.03885	1.0
127.99970	0.5
130.96321	1.0
131.08575	1.1
132.04401	1.3
133.02829	0.5
134.03624	6.2
135.04414	7.5
135.08025	1.8
135.11722	1.1
136.08629	0.5
137.05960	0.9
137.13248	0.8
138.06628	1.7
139.03914	1.1
139.07481	0.6
145.02831	72.2
146.03188	1.0
147.04382	0.5
148.97330	2.7
149.05965	18.8
149.09602	1.7
149.97177	0.5
150.06599	0.6
153.05444	5.2
153.09097	0.5
153.97888	1.4
154.06204	1.1
159.11696	0.5
162.03056	2.2
163.03897	11.8
163.07510	0.8
165.07004	1.5
167.07059	1.3
167.08464	0.5
171.98932	2.8
177.05452	100.0
177.16362	1.2
178.05904	1.2
180.09317	2.3
186.05489	2.3
191.24260	0.5
191.26192	0.5
195.02841	1.9
195.06625	3.1
195.08673	3.1
195.10146	1.8
195.11760	2.6
195.13760	0.5
195.15793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01857	0.7
55.05497	1.2
55.27150	0.4
56.05022	0.7
56.96553	0.8
57.03424	0.7
57.07064	0.6
65.03925	2.3
67.05495	1.4
69.03421	1.4
69.04533	0.6
69.07064	1.0
71.01804	1.3
71.04980	1.2
79.05495	3.2
81.03410	7.3
81.07043	2.0
83.04962	0.8
83.06084	0.6
84.08144	0.7
85.01893	0.4
85.02900	1.6
89.03912	19.9
89.04468	0.9
89.06018	2.7
91.05473	4.6
93.03393	2.2
93.07025	4.3
95.04948	2.8
95.06077	0.8
95.08608	1.7
97.06574	0.5
97.07677	0.9
99.04440	0.6
103.05453	1.8
105.07028	2.3
106.04172	1.5
107.04944	4.4
107.08581	3.3
108.05602	0.6
109.02874	3.7
109.06508	1.1
109.07588	0.5
109.98943	0.9
110.03683	0.5
110.07119	0.4
111.04433	6.6
111.05586	0.7
113.07164	0.5
117.03368	37.4
117.06984	0.7
119.04939	1.1
119.08558	1.1
121.02878	1.0
121.06469	2.6
121.10123	2.2
124.05170	1.2
125.05979	6.8
125.09605	0.5
126.10257	0.5
127.03929	0.9
127.99943	0.8
130.96329	0.6
131.04936	0.6
131.08534	1.7
133.02818	0.7
133.10152	0.9
134.03641	5.4
135.04391	8.6
135.08028	2.3
135.11670	1.1
136.08701	0.5
137.05975	1.1
137.09641	0.7
138.06622	1.5
139.03897	0.7
139.04987	0.7
140.83725	0.4
145.02832	71.2
146.03198	0.5
147.04398	0.9
148.97346	3.5
149.05969	20.7
149.09621	3.2
151.07545	1.8
151.11182	0.7
153.05446	14.1
153.97891	0.7
154.06247	0.9
155.51591	0.4
159.11644	0.5
160.08102	1.2
162.03113	2.0
163.03885	12.4
163.07669	0.5
165.05598	0.8
165.07018	1.6
165.09119	0.4
166.16037	0.4
167.03394	0.6
167.07068	1.0
167.08487	1.0
171.98938	2.4
177.05457	100.0
177.16367	0.9
178.05940	0.8
179.08598	0.5
180.09375	2.1
186.05513	1.7
195.02925	2.6
195.06601	4.0
195.08861	2.9
195.10158	2.7
195.11729	3.9
195.13733	0.6
195.15698	0.7
195.17427	0.7
196.05965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
56.96585	0.8
63.02359	0.6
65.03928	0.7
67.05507	0.6
68.47243	0.6
69.42988	0.4
70.55006	1.9
78.04716	0.7
79.05484	1.3
81.02980	0.5
81.03403	3.4
81.07066	0.8
83.04989	0.6
85.02896	0.7
85.69337	0.5
89.03912	21.0
89.06017	0.8
91.05485	3.0
93.03404	0.5
93.07041	2.1
94.95581	0.5
95.04963	0.9
95.08611	1.1
97.13433	0.5
98.97550	0.5
103.05476	1.8
105.07020	1.1
106.04150	1.4
107.04987	2.6
107.08595	1.5
108.04466	1.3
109.02836	2.5
110.06032	1.1
111.04430	1.1
116.98661	0.5
117.03373	41.8
118.03704	0.5
119.04961	0.9
119.08607	0.7
121.02855	1.0
121.06518	1.8
121.10113	1.0
124.05255	0.6
125.05997	1.4
130.96332	0.7
131.08545	0.9
134.03609	6.6
135.04407	8.1
135.08064	1.1
135.11694	0.7
136.03944	1.0
139.03993	1.0
145.02834	85.2
146.03159	1.8
148.97342	0.9
149.02365	0.7
149.05977	23.3
149.09578	1.6
150.61116	0.5
152.11917	0.7
153.05447	3.4
162.03090	2.5
163.03885	9.2
165.07001	0.8
171.98984	1.1
177.05460	100.0
178.05873	1.4
186.05510	2.0
195.02873	1.7
195.06509	2.2
195.08614	1.8
195.10196	1.3
195.11826	1.2
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
53.03947	0.9
55.01868	0.4
56.96558	1.2
57.03427	0.6
65.03932	1.4
67.05505	0.4
69.03430	1.4
69.07067	0.7
71.01288	0.8
71.01663	0.8
71.04996	2.1
73.02895	0.5
75.04483	0.4
78.04708	0.6
79.05496	1.6
81.03415	12.4
81.04552	0.5
81.07052	1.0
83.04985	0.6
83.06135	0.4
84.08118	0.4
85.02895	1.5
87.04446	0.3
89.03912	16.2
89.06029	1.7
91.05482	3.1
93.03386	0.7
93.07014	1.7
95.04950	1.4
95.08570	0.8
97.02905	0.8
98.97579	0.9
99.04462	0.9
103.05462	1.0
106.04182	1.1
107.04974	1.9
107.08572	1.0
109.02871	8.4
109.98961	0.4
111.04424	2.6
116.98586	0.6
117.03371	33.4
119.04935	1.0
119.13313	0.3
121.02824	0.4
121.06483	1.4
121.10120	1.2
124.05172	0.4
125.06002	2.8
127.03909	1.5
130.96252	0.4
131.04967	0.4
131.08574	0.5
134.03638	5.5
134.99713	0.4
135.04405	7.1
135.08069	1.2
135.11646	0.5
136.08736	0.4
137.05948	0.5
137.13245	0.4
138.06560	0.8
139.03873	0.4
145.02837	70.4
146.03165	0.5
148.97334	2.0
149.05975	16.4
149.09546	1.6
149.97163	0.7
150.06360	0.4
153.05461	6.0
153.97881	0.5
154.06239	0.6
162.03122	1.6
163.03897	9.5
165.06993	1.3
167.02357	0.4
167.07103	0.4
167.21103	0.4
171.98973	1.9
177.05458	100.0
177.16357	1.3
178.05885	1.0
180.09358	0.7
186.05487	1.7
195.02928	0.9
195.06714	2.0
195.08733	2.1
195.10153	1.7
195.11726	2.5
195.13596	0.4
195.15834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	0.8
55.01861	0.8
55.05508	2.7
56.96563	1.1
57.03430	0.8
57.07074	0.9
59.04983	0.5
63.02384	0.9
63.34015	0.4
65.03936	1.4
67.05499	1.9
68.05024	0.4
68.96329	1.4
69.03421	1.6
69.07066	1.1
70.74753	0.5
70.75085	0.9
70.94260	0.6
71.04978	1.7
72.04459	0.4
73.02933	0.5
78.04731	0.6
79.05489	4.6
80.05030	0.7
81.03410	10.0
81.07046	2.5
82.06559	0.5
83.04977	1.7
83.06113	0.5
83.08655	0.5
84.08139	1.1
85.02908	2.1
89.03910	16.8
89.06029	2.4
91.05461	4.3
93.03403	1.2
93.07045	4.6
93.18555	0.3
95.04966	2.6
95.06069	0.7
95.08590	2.2
97.02910	0.5
97.06485	0.9
99.04444	1.0
99.05609	0.4
103.05476	1.9
105.03445	0.5
105.04572	0.4
105.07037	2.6
105.47761	0.4
106.04167	1.6
107.04942	5.8
107.08592	4.9
108.04467	2.0
109.02882	6.4
109.06508	1.4
109.07648	0.6
109.10141	0.5
109.98933	1.0
110.06047	2.7
110.07188	0.7
111.04430	6.7
111.05565	0.7
111.08095	0.7
111.09186	1.0
113.06032	0.4
116.98643	0.7
117.03370	35.0
117.06985	0.7
118.03587	0.4
119.04946	1.1
119.08559	3.4
120.05537	0.4
121.02866	1.0
121.06502	2.7
121.10142	5.3
122.07115	0.5
123.08050	0.9
123.11690	0.8
124.05219	0.6
125.05988	3.4
125.09573	0.6
127.03908	0.9
127.99997	0.6
130.96303	0.7
131.08540	3.7
132.04405	0.4
133.02826	0.7
133.06467	0.4
133.08603	0.6
133.10136	0.8
134.03622	5.4
134.99608	0.5
135.04401	8.8
135.08075	2.5
135.08958	0.5
135.11681	1.0
136.03920	4.7
136.04819	0.6
136.08786	0.5
137.05952	1.5
137.09630	0.6
137.13261	0.6
138.06602	2.0
139.03899	1.1
139.04942	0.6
139.07480	0.5
139.11177	0.5
141.05481	0.5
145.02832	66.6
146.03154	0.6
147.04445	0.6
147.08014	0.9
148.97374	3.3
149.01230	0.5
149.02304	0.8
149.05974	17.8
149.09586	6.6
149.10724	0.5
149.13280	0.5
149.97220	0.9
150.10255	0.6
151.07564	0.7
151.11058	0.6
153.05460	8.2
153.09155	0.6
153.97902	1.1
154.06158	1.1
155.10487	0.4
158.06039	0.5
159.11665	0.6
160.03935	0.5
162.03058	1.9
163.03889	14.4
163.07574	0.7
165.05618	0.7
165.06984	1.7
165.09053	0.5
167.03484	0.4
167.07085	0.9
167.08527	0.7
167.10674	0.9
171.98967	2.3
177.05455	100.0
177.16386	2.0
178.04865	3.7
178.09738	0.5
180.09317	1.6
186.05464	2.2
195.02907	3.0
195.06496	3.6
195.08643	4.1
195.10152	6.2
195.11765	3.1
195.13846	0.8
195.15741	0.9
195.17398	0.6
196.06035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32930	1.0
52.87461	1.0
53.03930	1.8
55.01862	1.6
55.05510	7.0
57.03422	1.4
57.07066	2.0
59.04978	2.6
61.82233	1.0
63.22639	0.9
67.05502	8.8
67.28576	1.0
69.03077	1.8
69.03425	20.7
69.07053	5.6
69.58369	6.4
69.58781	2.2
71.04987	100.0
77.03899	1.2
79.05492	8.1
81.03437	2.8
81.07055	17.2
81.07522	2.1
83.04971	3.3
83.08594	2.2
85.06525	1.5
91.05469	10.2
93.07019	9.0
95.04967	5.1
95.08608	13.0
97.02896	1.9
97.06501	1.6
99.08068	2.2
103.05437	5.9
105.03415	1.4
105.07023	50.2
107.08585	15.7
109.06532	7.8
109.10162	12.6
111.08036	2.2
115.05452	7.5
118.04128	4.8
119.04968	2.0
119.08575	17.9
121.10138	22.0
123.08073	5.6
123.11684	13.6
131.04915	2.1
131.08560	1.9
133.02832	4.4
133.05464	2.6
133.06480	42.3
133.10112	20.1
135.11690	10.8
137.05971	2.7
137.09579	5.1
137.13277	1.8
143.06038	2.2
146.10861	1.3
146.99657	1.2
147.07997	3.1
147.11642	7.7
149.13286	2.3
151.07603	1.5
151.11151	11.6
151.14848	1.8
161.05974	40.3
161.20660	1.1
162.06294	2.6
165.05466	1.3
165.12761	4.5
173.10434	1.1
175.07538	1.2
175.11203	2.0
175.14801	29.4
178.02621	6.2
193.04961	22.4
193.08604	20.2
193.10359	2.2
193.12250	6.7
193.15868	96.2
194.08110	1.9
194.15359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.85852	1.1
53.03936	1.8
55.01855	3.3
55.05502	5.6
55.42742	1.0
56.96553	1.6
57.07068	2.9
64.59136	1.2
65.03926	1.5
67.05498	9.3
69.03417	5.7
69.07067	7.3
70.62170	4.2
71.04989	42.9
79.05488	16.7
81.03393	2.0
81.07048	17.8
83.04969	4.0
83.08598	1.8
85.06547	2.3
91.05465	13.2
93.07041	12.9
95.04961	8.6
95.08597	14.9
97.02853	2.1
97.06519	3.4
99.08095	5.6
103.05464	12.1
105.03368	2.7
105.07024	100.0
106.07329	3.2
107.04945	1.7
107.08590	16.0
109.02827	1.1
109.06494	7.5
109.10145	14.1
110.07079	1.1
111.08058	2.2
115.05445	18.5
117.07021	1.8
118.04163	9.6
119.04923	3.0
119.08569	20.6
121.10147	11.9
122.03629	2.3
123.04436	2.5
123.08076	8.0
123.11676	8.9
131.04900	4.3
131.08572	2.2
132.05692	2.2
133.02853	11.7
133.06485	76.9
133.10117	26.5
134.06844	3.3
134.10414	1.2
135.08029	2.1
135.11678	14.7
137.05986	6.8
137.09621	6.7
137.13145	1.2
143.04933	1.8
143.06029	4.4
146.97462	2.6
146.99644	1.5
147.04427	2.6
147.08049	3.6
147.11690	11.6
149.02328	3.8
149.05887	1.7
149.09602	1.6
149.13254	3.0
150.03073	2.0
151.07532	5.1
151.11159	9.7
151.14787	1.6
160.05202	1.8
161.05968	98.1
162.06274	3.5
165.01860	1.1
165.05482	4.4
165.06882	1.2
165.09201	1.5
165.12755	2.7
175.03912	3.0
175.07538	2.3
175.11176	5.0
175.14824	22.6
176.03415	1.5
178.02615	8.2
178.06250	2.5
178.07784	1.7
193.04947	40.4
193.08586	47.8
193.10266	4.1
193.12152	12.8
193.15869	51.9
194.07979	5.5
194.15338	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	Corypalline
Peak:m/z	Relative Intensity
53.03941	0.4
55.01860	0.3
55.05508	0.4
56.05032	2.9
56.96549	1.1
57.20483	0.2
58.06593	5.7
60.04529	1.2
60.87376	0.2
63.02385	0.2
63.80933	0.2
65.03939	0.3
67.05500	0.9
69.03424	0.3
69.07063	0.4
70.06587	14.9
71.13275	0.2
71.13634	0.6
74.09705	0.3
79.05482	2.0
81.03398	0.4
81.07060	1.1
82.06564	0.4
84.04496	1.6
86.06056	0.6
88.07624	1.5
89.01955	0.2
89.03844	0.2
91.05478	3.0
93.07042	0.9
93.55766	0.2
95.04965	1.1
95.08607	0.4
98.06087	0.3
103.05486	0.4
103.82159	0.2
105.07020	2.0
106.06563	0.4
106.07341	0.5
107.04945	100.0
107.08578	0.9
108.04567	0.4
108.05225	1.1
108.08121	0.3
109.05245	0.3
109.06486	0.4
110.06073	0.3
111.04409	0.4
115.05457	0.3
117.03366	0.5
117.07006	0.4
119.04948	1.5
120.04481	0.2
120.08938	0.3
121.06484	1.8
121.10172	0.3
123.04440	1.0
124.07579	0.8
126.05500	2.0
131.04926	0.4
131.08559	1.9
133.02882	0.3
133.06491	3.2
133.10115	0.3
134.05998	1.4
134.06865	0.6
134.09636	0.8
134.10527	0.3
135.04411	0.7
135.06821	1.0
135.08046	2.1
135.11685	0.5
137.05952	1.5
138.06592	0.5
144.05733	0.4
145.02820	0.9
147.06804	0.4
148.07486	0.4
148.11214	0.6
148.97313	0.3
149.05952	1.0
149.09641	0.3
150.09132	1.3
151.07523	2.0
152.07060	1.8
152.09686	0.3
157.04112	0.3
159.06870	0.3
159.08046	1.3
159.11574	0.2
162.06364	0.6
163.03900	4.1
166.04756	0.5
166.08598	0.9
176.03467	0.8
176.07050	0.6
176.10664	2.2
176.15105	0.3
177.05441	1.9
177.09079	1.1
177.12773	0.3
180.05685	0.3
194.05267	0.9
194.08034	3.2
194.11758	11.9
194.15369	4.2
195.06531	0.4
195.08652	0.6
195.10226	0.5
195.11806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	2.6
55.01864	2.5
55.05500	16.6
55.43483	1.1
57.03424	2.8
57.07060	4.9
59.05007	1.2
59.79445	1.1
65.03932	1.6
67.05495	17.3
69.03407	2.6
69.07059	46.2
71.04988	8.7
71.15371	3.0
72.14006	1.2
75.53207	1.1
79.05053	1.8
79.05479	18.9
80.36684	1.1
81.03397	1.6
81.07045	38.8
83.04972	5.9
83.08195	1.8
83.08614	18.1
85.06525	5.6
91.05469	13.6
93.07038	32.0
95.04971	14.5
95.08595	42.6
97.06518	26.2
97.10141	2.9
99.08089	4.4
103.05463	3.6
105.07019	46.9
107.08582	42.7
108.96105	1.4
109.06503	47.4
109.10141	36.2
109.10906	1.8
111.08074	9.9
111.11708	10.4
115.05428	6.0
118.04148	1.7
119.04864	1.6
119.08567	43.8
121.10138	19.1
122.75001	1.3
123.04372	2.5
123.08059	43.4
123.11687	12.3
125.09608	1.6
131.04866	1.8
131.08601	1.6
132.05664	1.8
133.02824	5.1
133.06479	28.8
133.10114	88.1
134.10463	2.4
135.11679	67.3
137.05957	4.3
137.09607	25.7
143.06100	1.4
147.11687	11.4
149.05968	1.5
149.13199	5.1
150.44957	1.2
151.07387	1.6
151.11156	4.4
151.14835	2.2
160.12421	1.7
161.05959	28.8
165.12662	2.2
175.07497	1.7
175.14807	76.1
176.15186	1.7
178.02592	3.6
178.18375	1.6
193.04971	18.7
193.06744	2.7
193.08592	22.0
193.10320	2.1
193.12212	4.2
193.15854	100.0
194.05286	1.4
194.08105	1.3
194.16331	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	2.5
55.01859	2.8
55.05508	39.5
57.03419	1.1
57.07056	2.3
59.04982	1.8
65.03907	1.0
67.05502	21.3
69.03408	2.8
69.06723	1.0
69.07065	16.4
69.86860	4.3
71.04998	3.7
79.05060	0.8
79.05489	13.2
81.03400	1.5
81.07053	40.1
82.07366	0.6
83.04977	71.2
83.08606	4.2
83.89624	0.7
84.05322	0.8
85.06520	2.5
91.05479	8.7
93.07043	13.8
95.04965	4.4
95.08601	20.5
97.06512	3.0
97.10152	0.8
99.08095	3.5
103.05423	0.8
105.07018	16.1
107.08588	17.9
109.06513	8.0
109.10150	37.4
111.04436	0.7
111.08065	5.3
111.11709	2.0
115.05441	0.9
117.06983	1.5
118.03940	0.7
119.08582	18.7
121.10127	7.4
121.24476	0.7
123.08064	9.3
123.11696	4.3
125.05927	0.8
125.09599	2.0
131.08521	1.9
132.00546	0.7
133.02858	3.4
133.06491	4.0
133.10123	28.6
135.11691	17.5
137.05946	1.5
137.09605	18.8
137.13135	0.8
137.76767	0.7
138.10245	0.7
147.04523	0.8
147.08057	0.8
147.11688	5.5
149.13263	3.7
150.03122	8.0
150.28403	0.8
151.11171	2.8
151.14787	0.9
161.05966	4.5
165.05457	1.2
165.12721	1.2
165.16415	0.9
175.11165	1.8
175.14807	17.0
178.02594	7.7
193.04951	100.0
193.12198	4.3
193.15877	24.5
193.17670	1.5
194.05344	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05512	15.8
56.96573	1.8
57.03425	4.5
57.07066	4.9
62.92688	2.1
67.05507	21.4
69.03432	3.4
69.07064	20.6
69.60967	14.7
71.04982	5.3
79.05493	18.5
81.07053	38.1
83.04958	6.4
83.08617	7.3
85.06532	6.9
91.05470	26.3
92.04461	1.9
93.07041	35.6
93.29910	1.8
95.04967	5.6
95.08044	3.4
95.08604	43.4
97.06520	5.0
97.10177	1.9
98.62102	2.0
99.08090	21.7
103.05457	5.5
105.03410	1.9
105.07024	76.0
107.04970	2.1
107.07863	2.7
107.08588	45.7
109.06491	9.5
109.10148	36.9
111.08045	3.1
111.86022	1.7
115.05445	6.3
115.69419	1.8
117.06972	2.6
118.04161	3.5
119.08578	95.9
120.08875	2.1
121.10138	21.3
123.08078	9.9
123.11705	7.8
124.00198	2.1
131.08563	8.6
133.02846	6.7
133.06482	21.7
133.10123	92.3
135.04358	2.3
135.08044	2.3
135.11694	29.2
137.05975	5.8
137.09642	10.1
143.06044	2.1
145.10118	2.8
146.10905	3.1
147.08061	6.3
147.11665	22.8
149.06009	2.7
149.13248	9.7
150.03198	2.1
151.07516	2.4
151.11234	2.7
161.05971	27.0
163.14828	3.9
165.09067	2.7
170.86719	2.1
175.07594	3.5
175.11182	3.5
175.14816	100.0
176.15146	2.0
178.02609	5.3
193.04913	22.5
193.08575	23.2
193.10338	2.7
193.12239	7.7
193.15889	59.5
193.17653	3.7
194.08244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05504	40.6
57.03429	4.3
57.07065	5.6
59.04997	3.3
67.05497	25.9
69.03422	2.9
69.07059	29.5
69.33071	24.3
71.04970	4.6
79.05486	17.0
81.07049	62.1
83.04971	62.4
83.08600	7.5
85.06516	3.3
91.05453	13.6
93.07037	37.6
95.04951	3.7
95.08590	49.5
97.06510	6.7
98.20764	4.2
103.05470	2.9
105.07014	53.1
105.07670	4.2
107.08581	51.0
109.06519	11.6
109.09444	4.5
109.10139	50.9
111.08056	5.4
111.11752	3.4
112.30070	2.6
119.08567	96.6
121.10127	23.2
123.08073	9.2
123.11696	9.9
125.09615	3.2
131.08586	5.0
133.06432	5.9
133.10115	78.6
135.11674	39.2
137.09604	22.1
138.54018	2.2
147.11694	17.9
149.13287	14.6
151.14755	3.5
161.05956	7.1
163.14864	3.3
165.16351	3.8
175.14806	100.0
193.04930	7.8
193.08598	4.3
193.12207	3.6
193.15857	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.11864	1.6
53.03937	3.4
55.01867	3.6
55.05508	63.9
56.64773	1.5
57.07071	3.2
65.03963	1.9
67.05502	27.1
69.07066	20.0
69.83217	10.6
79.05494	17.9
81.03371	1.7
81.07055	51.7
83.04978	100.0
83.08617	4.3
85.06503	3.3
85.88506	1.9
91.05483	6.2
91.96248	1.7
93.07043	16.4
95.04961	4.3
95.08607	22.8
95.90450	2.1
96.56650	1.6
97.06544	5.7
98.20838	3.4
105.07010	12.4
107.08580	19.0
109.06520	8.3
109.10152	43.7
111.08088	7.1
119.08583	18.4
121.10152	6.5
123.08075	8.1
123.11708	7.8
125.09631	2.2
133.10130	22.3
135.11685	17.3
137.09607	28.6
147.11697	5.0
149.13228	3.0
151.11198	2.1
169.37112	1.8
175.14803	22.4
193.04907	2.8
193.15880	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03940	2.1
55.01857	3.9
55.05505	13.2
57.03411	1.9
57.07062	3.4
57.46180	1.2
65.03941	2.9
67.05505	17.6
69.03417	4.2
69.07058	16.1
69.82583	2.1
69.82908	8.5
71.04983	4.9
75.17599	1.1
77.03900	1.3
79.05486	20.2
81.03418	10.1
81.07051	28.1
83.04974	5.1
83.08604	8.8
85.06524	3.0
91.05476	23.3
93.07041	24.0
94.52266	1.1
95.04960	10.6
95.08601	29.0
95.62365	1.4
97.02869	1.8
97.06527	4.9
97.10191	2.2
99.08100	3.1
103.05455	12.4
104.06252	2.3
105.03358	2.4
105.07026	100.0
106.07365	2.1
107.04915	1.9
107.08588	29.4
109.06530	12.3
109.10152	31.7
111.08076	3.7
111.11711	1.5
115.05439	15.6
116.86972	1.2
117.07039	1.6
117.35662	1.2
118.04137	9.0
119.04919	2.0
119.08576	53.3
121.06518	1.8
121.10149	11.9
123.04388	1.3
123.08047	10.0
123.11678	8.6
129.07004	2.8
131.04904	3.8
131.08557	5.7
131.09415	1.3
132.05695	2.5
133.02849	9.8
133.06487	70.3
133.10118	54.4
134.06856	1.5
134.10475	2.0
135.04265	1.1
135.08005	2.6
135.11674	26.2
137.05966	6.2
137.09604	13.9
143.04961	1.6
143.06032	2.5
145.10129	1.3
146.97496	2.3
146.99605	1.4
147.04434	2.5
147.08026	3.0
147.11697	19.9
149.02332	3.0
149.05981	2.7
149.09682	1.8
149.13303	6.8
150.03214	1.7
151.07526	2.4
151.11176	2.6
151.14787	2.3
157.10068	2.7
160.05197	1.7
160.12492	1.9
161.05974	68.6
162.06317	2.7
165.05460	3.9
165.06871	1.4
165.12788	3.4
175.03802	1.6
175.07484	2.0
175.11208	6.2
175.14815	64.8
176.15092	1.6
178.02579	7.1
183.77295	1.2
193.04961	36.2
193.08607	62.5
193.10477	3.1
193.12207	12.0
193.15910	45.6
194.08107	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03928	3.2
54.38049	1.6
55.01854	4.8
55.05500	11.7
57.03427	4.5
57.07070	4.4
60.30046	1.9
65.03893	2.3
67.05503	15.0
69.03410	6.3
69.06758	1.7
69.07065	15.8
70.06602	10.1
79.05488	12.9
81.03419	4.2
81.07053	28.5
83.04977	4.4
83.08610	5.6
84.90687	1.7
85.06522	2.6
90.64875	1.7
91.05480	23.0
93.07043	22.7
95.04972	3.8
95.08601	35.5
97.02888	59.5
97.06536	3.7
98.20766	2.4
98.53725	1.8
103.05470	3.0
105.07025	57.0
107.04942	5.8
107.08582	34.6
109.02890	2.6
109.06505	7.9
109.10143	37.5
109.10824	3.2
111.08090	4.3
117.07022	1.8
119.04939	4.1
119.08573	84.1
121.10126	20.7
123.04399	3.1
123.08032	13.2
123.11674	5.8
125.02357	13.5
131.08530	2.1
133.02817	1.9
133.06488	24.0
133.10124	67.9
135.04350	1.8
135.10690	2.3
135.11687	36.7
137.05928	4.4
137.09616	10.8
141.01820	2.2
147.04417	3.8
147.08043	2.0
147.11687	17.2
149.13274	13.4
151.09525	2.1
151.11052	2.3
155.53929	1.8
158.91594	1.9
161.05954	21.8
163.14828	2.6
165.05536	3.4
175.03842	3.0
175.14816	100.0
193.04947	12.5
193.08566	12.9
193.12321	1.9
193.15874	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
54.38049	1.6
55.01854	4.8
55.05500	11.7
57.03427	4.5
57.07070	4.4
60.30046	1.9
65.03893	2.3
67.05503	15.0
69.03410	6.3
69.06758	1.7
69.07065	15.8
70.06602	10.1
79.05488	12.9
81.03419	4.2
81.07053	28.5
83.04977	4.4
83.08610	5.6
84.90687	1.7
85.06522	2.6
90.64875	1.7
91.05480	23.0
93.07043	22.7
95.04972	3.8
95.08601	35.5
97.02888	59.5
97.06536	3.7
98.20766	2.4
98.53725	1.8
103.05470	3.0
105.07025	57.0
107.04942	5.8
107.08582	34.6
109.02890	2.6
109.06505	7.9
109.10143	37.5
109.10824	3.2
111.08090	4.3
117.07022	1.8
119.04939	4.1
119.08573	84.1
121.10126	20.7
123.04399	3.1
123.08032	13.2
123.11674	5.8
125.02357	13.5
131.08530	2.1
133.02817	1.9
133.06488	24.0
133.10124	67.9
135.04350	1.8
135.10690	2.3
135.11687	36.7
137.05928	4.4
137.09616	10.8
141.01820	2.2
147.04417	3.8
147.08043	2.0
147.11687	17.2
149.13274	13.4
151.09525	2.1
151.11052	2.3
155.53929	1.8
158.91594	1.9
161.05954	21.8
163.14828	2.6
165.05536	3.4
175.03842	3.0
175.14816	100.0
193.04947	12.5
193.08566	12.9
193.12321	1.9
193.15874	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03926	1.3
55.05507	10.1
57.03425	3.2
57.07053	2.2
57.07349	0.7
67.05502	11.1
69.03409	3.3
69.07069	14.3
70.23792	1.6
70.24203	2.1
71.04969	2.3
71.18509	0.7
79.05487	9.0
81.07053	32.3
83.04961	2.2
83.08614	4.9
85.06512	2.2
91.05476	12.0
93.01677	0.8
93.07037	24.7
95.04954	2.3
95.08599	35.0
97.06538	4.1
97.10143	1.4
99.08096	1.0
103.05442	0.9
105.07023	39.1
107.08588	32.2
108.08923	0.8
108.96141	0.8
109.06503	2.7
109.10138	24.5
111.08076	3.7
117.07005	2.3
119.08573	82.8
120.08881	1.8
121.10133	14.9
123.08032	3.4
123.11687	6.7
125.09630	0.9
127.09662	0.8
131.08551	3.5
133.06470	2.7
133.10123	64.5
134.10472	1.3
135.11687	22.0
137.09621	5.8
145.10097	3.7
146.10883	1.7
147.11670	15.9
149.13249	10.7
151.14764	1.0
160.12415	1.9
161.05962	3.1
163.14792	2.8
165.16415	1.8
175.14813	100.0
176.15094	1.5
181.46892	0.8
182.49750	0.8
190.32666	0.7
193.04883	1.9
193.08572	1.9
193.15871	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03945	2.6
55.05509	25.3
57.03426	3.7
57.07056	4.7
59.04976	3.6
67.05174	1.9
67.05503	24.6
69.03436	2.9
69.07067	19.8
69.52939	13.5
71.04976	4.7
74.21318	1.4
79.05504	13.5
79.08131	1.7
81.07053	40.0
83.04974	13.9
83.08613	8.0
85.06526	7.6
88.33453	1.4
91.05476	22.1
93.07038	32.8
95.04959	5.0
95.08603	46.0
97.06533	4.3
97.10173	1.7
98.21452	2.3
99.07478	2.1
99.08086	28.3
103.05444	2.4
105.07027	51.2
107.08596	44.5
109.06496	8.3
109.10151	49.3
109.10902	2.3
111.08096	2.6
115.05411	1.9
117.07012	3.3
119.08574	97.9
119.68864	1.6
121.10129	21.5
123.08025	7.2
123.11686	7.7
125.09633	2.3
131.08542	6.6
133.02856	4.2
133.06497	8.1
133.10121	77.2
135.11697	31.6
137.05954	3.7
137.09592	16.5
145.10074	3.7
146.10919	2.2
147.11700	18.4
147.59995	1.7
149.09645	1.9
149.13222	11.1
150.57755	1.5
151.11201	2.3
151.14787	2.7
159.94398	1.6
161.05977	6.8
163.14842	2.5
165.05521	2.1
165.16451	2.1
175.07536	2.6
175.14818	100.0
176.15173	1.9
178.02568	3.8
193.04947	14.9
193.08612	10.8
193.10287	1.6
193.12161	3.5
193.15874	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.12147	0.7
52.65832	0.6
53.03934	1.1
55.01860	1.1
55.05504	7.1
57.03423	0.9
67.05212	0.7
67.05499	7.4
69.03411	1.9
69.07058	5.4
71.04981	1.1
76.91335	0.6
77.03900	0.7
79.05486	6.8
81.03416	3.7
81.07053	12.5
81.15633	0.7
83.04977	6.4
83.08605	2.5
85.06541	1.3
89.03922	0.9
91.05467	5.9
93.07035	9.7
95.04971	5.4
95.08604	10.4
97.02834	1.1
97.06523	1.7
99.08102	1.7
103.05430	2.2
105.03370	2.1
105.07019	19.6
106.07342	0.9
107.08589	11.8
109.06499	3.2
109.10150	10.6
109.10832	1.3
111.08034	1.4
115.05415	2.0
118.04185	1.4
119.08572	22.8
121.10152	6.1
122.03649	4.2
123.08093	1.9
123.11688	3.8
131.04951	0.9
131.08575	1.1
133.02846	34.9
133.06480	10.3
133.10114	21.5
134.03171	2.0
135.08029	0.9
135.11665	8.0
137.05966	11.4
137.09621	4.2
143.06081	1.2
145.10069	1.0
147.08037	2.2
147.11655	5.8
148.08598	0.9
149.02367	0.9
149.05937	3.1
149.13226	2.7
150.03123	2.6
151.07513	1.3
151.11168	1.1
161.05954	9.8
165.05489	3.7
165.09099	1.6
175.07451	1.5
175.11153	1.6
175.14806	23.4
176.03262	0.6
178.02600	19.7
193.04945	100.0
193.08574	9.1
193.12225	3.1
193.15839	16.7
194.05365	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03926	6.1
55.01870	11.9
55.02084	2.2
55.05508	13.5
56.96564	13.6
57.03386	2.6
57.07071	11.8
59.04987	2.2
65.03922	5.4
67.05500	64.0
69.03403	7.3
69.07066	22.0
71.04978	8.0
75.61574	2.7
77.03871	2.6
79.05065	3.1
79.05489	52.4
81.03391	5.5
81.07051	70.3
83.04967	18.6
83.08580	4.3
85.06505	4.0
91.05476	100.0
93.07033	48.3
95.04958	21.1
95.08050	3.0
95.08605	42.4
97.02887	19.9
97.06525	20.0
99.08084	5.5
103.05465	8.2
105.07026	94.8
107.04931	5.1
107.08584	27.6
109.06507	21.2
109.10126	10.4
111.04427	2.8
111.08054	3.8
113.05954	4.7
115.05447	8.7
116.36556	2.5
117.07010	3.7
118.04125	2.8
119.04897	5.1
119.08582	63.2
121.06488	3.9
121.10145	22.2
123.04404	3.3
123.08076	11.6
123.11684	5.1
125.05946	4.4
129.05556	2.3
129.06992	18.6
131.08553	22.2
133.02852	16.6
133.06488	27.6
133.10121	84.1
135.05634	3.4
135.08035	5.6
135.11679	26.6
137.05954	10.3
137.09569	6.4
138.06165	2.9
142.07730	6.1
145.10046	2.8
146.99609	4.5
147.07965	6.9
147.11678	81.0
149.02303	3.6
149.09602	11.4
149.13225	3.9
150.03085	3.7
150.06160	8.0
151.07491	5.6
151.11169	4.3
157.10130	37.9
159.06696	5.1
161.05989	28.1
161.09575	5.6
161.56996	3.3
165.05452	4.8
165.12753	16.1
169.98975	3.3
175.03777	2.2
175.07443	3.4
175.11171	54.9
175.14787	21.3
176.03371	2.8
178.02570	12.8
178.08005	2.5
193.04956	68.9
193.06740	5.4
193.08672	12.8
193.10480	9.1
193.12210	77.2
193.14088	3.9
193.15884	16.2
193.17558	4.0
194.08099	4.0
194.15437	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.03442	2.5
53.03936	4.2
55.01874	3.2
55.05255	4.8
55.05507	64.8
57.07059	10.0
57.16558	2.6
59.04980	4.3
67.05500	41.8
69.03413	9.2
69.07069	32.8
69.34661	6.4
69.35057	26.9
71.04976	6.8
79.05492	42.3
81.03414	5.3
81.07056	61.2
83.04981	41.4
83.08609	7.3
85.06541	4.9
91.05472	23.3
93.07042	48.9
95.04961	11.4
95.08614	51.2
96.46235	3.4
97.06528	6.3
99.08054	5.1
99.34506	2.7
103.05433	4.6
104.06284	2.7
105.07032	66.5
107.08596	70.0
109.06505	13.6
109.10155	74.6
110.10504	2.4
111.08091	4.7
115.05445	8.9
117.06982	4.3
119.07784	5.4
119.08581	83.4
121.07606	2.7
121.10150	27.3
123.08068	12.4
123.11646	13.3
131.08524	5.3
133.02820	9.3
133.06488	39.9
133.10127	100.0
134.10428	3.8
135.11682	73.0
137.06004	5.5
137.09612	31.2
147.08089	3.9
147.11665	17.4
149.13258	9.8
150.03162	3.7
151.07559	5.5
151.11166	5.4
161.04771	4.2
161.05997	38.1
175.11246	4.3
175.14828	95.0
176.03413	5.0
178.02596	15.8
178.08116	6.5
193.04950	50.6
193.06766	4.4
193.08603	13.4
193.10541	15.5
193.12247	8.0
193.15895	55.6
194.08107	9.8
194.15448	6.4
197.79326	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03935	1.1
55.01864	3.9
55.05510	2.6
56.96567	0.9
57.03421	0.9
57.07063	1.6
59.05002	0.9
63.02385	0.7
65.03916	0.7
65.06573	0.5
66.04715	1.0
67.05500	4.4
68.99796	0.7
69.03431	1.7
69.04597	0.4
69.07065	3.6
70.06571	0.6
71.04992	1.4
71.60667	0.6
71.61041	0.6
77.03915	0.7
79.05494	12.4
81.03394	0.6
81.07052	6.2
83.04970	2.2
83.06100	0.5
83.08610	0.5
85.02863	1.1
85.06541	1.6
89.03909	0.9
90.04709	0.8
91.05474	11.0
93.07043	4.6
95.04977	5.2
95.08603	6.3
97.02886	6.2
97.06503	0.7
98.97579	1.1
99.08070	0.9
103.05471	12.7
105.03382	1.4
105.07025	90.6
106.07355	1.6
107.04979	1.1
107.08590	5.8
109.06516	2.8
109.07656	0.7
109.10161	5.7
111.04401	0.6
111.08056	0.9
115.05450	17.2
116.98615	1.0
117.07034	0.8
118.04153	9.4
119.04943	1.0
119.08575	12.2
121.06537	0.6
121.10129	3.1
122.03645	1.4
123.04432	1.2
123.08043	1.9
123.11696	1.4
125.02335	1.0
125.24512	0.5
128.98601	0.7
131.04939	3.6
131.08569	1.7
132.05669	1.2
133.02855	9.1
133.06485	81.6
133.10121	18.1
134.05988	0.6
134.06837	2.3
134.99678	0.6
135.08072	1.6
135.11697	6.5
136.08678	0.8
137.02338	0.6
137.05974	5.4
137.09636	3.0
143.04889	1.6
143.06033	4.4
146.97453	0.5
146.99652	1.1
147.04414	1.6
147.08051	2.0
147.11697	3.5
149.05965	1.8
149.09561	0.5
149.13239	0.8
150.03116	1.8
150.10254	0.7
151.03946	1.0
151.07545	0.9
151.11168	1.4
157.10114	0.8
161.05971	100.0
162.06291	2.5
165.05450	2.4
165.09067	0.9
165.12732	0.5
175.03894	1.4
175.05986	1.0
175.07454	1.2
175.11176	3.1
175.14815	9.9
177.00592	0.7
178.02603	6.8
193.04958	31.7
193.08586	17.3
193.10536	1.1
193.12268	4.5
193.14156	0.9
193.15887	7.8
194.05534	1.5
194.08028	0.7
194.15642	0.5
214.16711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08276	0.4
54.03479	1.3
55.02995	0.5
55.05518	0.5
56.05032	4.5
57.04549	1.0
58.06597	1.1
59.06124	12.7
59.16399	0.4
60.05646	12.6
63.62811	0.5
66.03468	0.8
67.02979	4.7
68.02510	0.7
68.05025	16.1
69.04546	4.1
69.07064	0.7
69.37929	3.2
69.38353	1.6
70.06588	3.9
71.06105	2.2
72.08151	1.2
80.05016	1.5
81.04534	6.6
82.04052	0.7
82.05309	0.7
82.06580	3.0
83.06100	14.3
84.05631	2.9
84.08138	1.6
85.07673	4.0
86.54879	0.5
92.05000	0.6
93.04518	2.2
94.06567	1.7
95.06081	5.4
95.86295	0.4
96.05618	1.9
96.06874	0.8
96.08163	0.9
97.06390	1.1
97.07656	4.5
98.07167	6.7
98.21570	0.6
99.06678	0.7
105.04559	0.5
105.07059	0.5
107.06065	4.9
108.05598	16.5
108.08123	1.7
109.03989	0.8
109.05116	0.5
109.06474	0.8
109.07635	18.6
110.07163	32.2
110.08338	2.8
111.05552	0.6
111.06782	0.8
111.07953	16.4
111.09157	5.1
112.08727	19.1
119.06086	0.5
120.05608	1.0
121.05100	0.4
121.07630	0.7
122.07170	4.8
123.06683	1.9
123.09185	4.1
124.05109	0.5
124.08716	10.5
124.09527	0.4
125.08232	60.6
126.06631	48.1
126.10298	1.6
127.07008	0.8
128.08192	0.8
132.05630	0.6
133.07611	18.7
134.07129	13.6
134.08102	0.9
135.05676	0.7
135.06673	2.5
135.07915	2.6
135.09001	0.6
136.07616	0.7
136.08669	4.7
137.08218	4.8
137.09079	0.6
137.10767	0.6
138.09126	0.6
138.10263	5.7
139.09775	0.8
147.06555	0.5
148.08664	3.8
149.08218	95.6
150.06609	1.8
150.07733	2.4
150.08939	2.9
150.10239	19.1
151.06189	1.0
151.09778	42.4
152.08176	0.6
152.09511	0.5
152.10556	10.2
158.07025	0.4
161.05899	0.7
163.09761	1.4
164.09320	1.2
165.11357	12.8
167.09300	0.7
174.07716	0.7
175.09781	18.9
177.07855	9.4
177.10127	1.3
192.06746	2.2
192.08742	2.5
192.10220	40.2
192.12436	100.0
192.17409	1.6
193.04916	0.6
193.09113	0.6
193.10712	2.8
193.12669	1.4
193.14311	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.02393	0.3
52.47801	0.2
55.01869	0.5
55.05510	0.5
56.16330	0.2
56.96578	0.2
57.03426	0.4
59.04988	0.5
59.84261	0.2
60.93063	0.2
65.03905	0.3
67.05505	1.0
69.03419	0.3
69.07062	0.4
70.05497	1.1
71.05012	0.3
77.03956	0.3
79.05489	1.7
81.03399	0.4
81.07056	2.3
83.04980	0.8
89.03921	0.6
91.05470	2.6
93.07018	1.2
94.04188	0.8
95.04953	1.2
95.08593	1.5
97.02892	1.0
97.06561	0.3
103.05460	1.6
105.03394	1.4
105.07027	10.1
107.04952	0.4
107.06091	0.2
107.08604	1.7
109.06512	2.0
109.07684	0.4
109.10139	1.1
115.05450	2.0
117.03403	0.8
118.04161	0.8
119.04919	0.4
119.08588	2.6
121.06509	0.4
121.10138	0.8
122.03644	4.0
123.04472	0.4
123.08056	0.6
123.11727	0.3
131.04938	0.6
131.08482	0.3
132.05699	0.4
133.02847	36.6
133.06482	9.1
133.10112	1.9
134.03220	0.3
135.04448	0.3
135.08047	0.7
135.11697	0.9
137.05972	10.9
137.09621	0.4
143.04904	0.3
143.06006	0.4
147.04437	0.5
147.08101	0.4
147.11642	1.1
149.02365	0.2
149.05991	2.4
149.13242	0.3
150.03128	3.5
151.07520	0.4
151.11189	0.5
160.08836	0.3
161.02367	0.7
161.05989	8.5
165.05486	3.7
165.06837	0.4
165.09114	0.2
175.07594	0.4
175.11186	1.7
175.14807	2.1
178.02605	23.4
178.54195	0.2
179.02907	0.3
179.05392	0.2
193.04956	100.0
193.08498	2.5
193.12201	2.0
193.15855	1.5
194.05371	1.4
194.08116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.03915	1.0
53.45332	0.9
55.01854	1.9
56.96556	9.8
57.03412	1.1
57.07043	1.0
60.04510	1.7
61.22653	0.8
67.05469	2.2
69.03395	1.3
69.07046	1.4
72.04499	4.2
74.86417	0.8
79.05474	2.5
79.58700	0.8
81.03411	1.4
81.07033	2.6
91.05455	4.8
93.07030	2.8
95.04923	1.8
97.99188	2.0
98.20771	1.7
100.07580	4.9
103.05443	3.0
105.07014	16.5
106.07356	0.8
107.04943	11.5
107.08562	2.0
109.05256	17.5
109.06471	5.3
110.10525	1.0
115.05421	2.2
116.00192	3.4
117.05724	1.5
119.04930	54.9
119.08553	1.6
120.08099	0.7
121.06480	1.0
121.10132	1.2
122.05993	3.9
125.43920	0.8
131.04971	1.3
132.08076	4.4
132.73332	0.9
133.02823	2.0
133.06483	40.3
133.10071	1.7
134.10422	1.5
135.11682	2.5
136.11998	0.9
137.05946	1.1
139.01787	1.1
146.05978	2.1
146.10408	0.9
146.97290	0.9
147.07990	1.5
147.11696	1.2
148.07565	1.2
149.02292	1.3
149.05359	0.8
149.08319	2.6
150.09125	100.0
151.09396	1.9
152.53888	0.9
158.05946	1.6
160.05008	0.9
161.05960	5.9
163.11153	9.3
164.07024	1.6
164.11568	1.0
174.05418	1.4
174.13551	1.2
175.07529	1.0
177.07838	20.3
177.15056	1.2
178.02538	1.5
192.04701	5.5
192.06516	8.1
192.10158	63.0
192.13753	31.6
192.17380	9.8
193.04919	10.0
193.08557	2.9
193.10324	1.0
193.12193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
51.92524	0.6
54.03464	1.6
55.05503	1.0
56.05036	4.7
57.04548	0.7
58.06594	1.0
59.06120	7.0
60.05639	2.1
67.02976	3.7
68.04440	0.6
68.05025	9.1
69.04550	3.0
69.99281	0.6
70.06593	3.2
71.06113	2.4
71.09736	1.6
72.04443	0.7
72.08126	1.1
76.45817	0.6
80.05006	1.5
81.04535	6.1
82.05297	0.7
82.06561	3.6
83.06104	8.0
84.05624	2.4
84.06406	0.7
84.08127	1.1
85.07664	2.7
93.04495	1.8
94.06554	1.4
95.06081	5.6
96.05618	2.0
96.06842	0.8
97.06400	0.8
97.07637	4.4
98.07182	3.3
107.06069	3.8
108.05614	6.9
109.03970	0.8
109.07632	12.6
110.07166	26.8
110.08350	3.6
110.83833	0.6
111.05550	1.0
111.06799	0.8
111.07947	11.8
111.09196	2.8
112.08726	13.5
119.04935	1.0
120.05497	0.9
121.07651	0.6
122.07153	3.4
123.06678	1.6
123.09204	3.5
124.08712	7.1
125.08213	6.2
125.09570	0.8
126.06609	3.8
126.10280	0.9
133.06543	0.9
133.07599	5.9
134.07118	9.9
135.06668	1.8
135.07893	1.7
136.08684	3.4
137.08217	3.5
138.10246	1.8
147.06612	0.8
148.08661	3.4
149.08224	10.4
149.09341	0.9
150.07703	1.7
150.08986	3.1
150.10243	10.7
151.06143	0.8
151.09773	16.9
151.10889	0.8
152.09477	1.0
152.10553	5.0
163.09819	0.9
165.11385	5.8
167.74319	0.6
170.87708	0.5
175.09776	8.8
176.06989	0.8
177.07848	33.0
178.08203	0.8
192.06647	5.0
192.10179	100.0
192.12407	42.3
192.17262	3.2
193.04953	1.6
193.10637	3.9
193.12086	0.6
193.14467	0.7
199.67114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01867	4.3
55.05492	3.9
56.96564	100.0
57.03178	5.0
57.03436	38.5
58.03767	4.2
58.06573	4.1
59.04991	10.2
60.95847	8.0
61.02930	21.0
62.06085	3.7
67.05515	3.9
68.00249	3.4
69.03426	50.8
69.07051	4.0
70.03752	8.2
70.06573	5.5
70.40611	6.4
71.01344	9.4
71.04985	39.8
73.02918	49.0
74.06064	4.6
74.97593	4.7
79.05466	3.5
80.05014	4.2
81.03411	22.6
81.97440	3.2
82.06585	14.0
83.00769	5.9
83.05027	4.6
84.04509	22.3
84.96030	10.2
85.02903	62.9
86.03231	4.0
86.03677	10.5
86.06065	6.3
87.04462	9.6
90.01556	11.5
96.01517	6.6
97.02882	43.4
97.37711	3.2
97.96780	6.2
98.09695	10.5
98.97581	73.9
99.02084	6.0
99.04453	14.0
99.97884	5.3
100.05249	7.1
100.07629	8.0
101.00800	6.1
103.02401	4.2
104.01288	5.3
105.00359	3.9
105.02089	3.9
105.07002	5.9
107.01759	3.2
109.02898	19.0
110.01280	9.5
110.06045	6.5
110.51466	5.1
110.97580	11.2
111.02054	9.5
111.02909	5.0
111.04413	4.9
112.00945	4.4
113.01768	9.1
113.02449	4.3
114.05527	8.0
115.03928	10.2
115.97888	3.9
116.10723	4.5
116.98630	42.5
117.02087	6.5
117.99002	4.0
118.01049	3.5
118.02821	7.9
119.00123	3.6
119.01860	26.9
119.51984	8.1
120.02588	6.3
121.01522	10.0
121.51748	4.0
122.02348	4.7
123.03029	5.5
124.99110	4.2
125.01779	5.1
126.00790	3.3
126.02585	15.0
126.52662	3.9
127.01507	4.1
127.03922	10.2
128.01335	3.8
128.02289	10.1
128.07053	41.2
128.10730	5.8
128.52525	4.8
128.98592	30.6
129.02089	3.4
129.03026	9.8
131.00133	12.9
131.01875	11.0
132.03441	9.0
133.01503	6.6
133.51646	3.9
134.02332	18.1
134.99622	22.1
135.03036	13.8
135.53264	5.6
137.02684	4.2
138.03462	6.0
140.02301	8.3
140.52460	4.6
141.03098	9.4
143.00182	14.6
143.01875	10.3
143.02866	15.7
144.02522	4.6
144.03568	8.5
144.98105	4.4
145.03523	8.6
146.02272	8.2
146.03540	5.3
146.06139	3.7
146.08112	34.4
146.11700	4.7
146.99631	40.6
147.01404	5.5
147.03033	3.7
148.02078	4.4
148.03851	4.6
149.01151	18.7
149.02861	9.7
150.96817	5.2
152.02296	4.7
153.00600	6.9
153.04030	8.4
154.02049	4.7
154.94109	4.6
155.02831	9.8
156.03503	3.8
156.06558	19.9
156.13847	6.4
157.03450	3.8
158.99626	19.8
161.01250	21.4
161.02902	14.6
161.04709	4.8
162.01781	4.3
162.03383	6.1
162.99191	9.2
163.02745	7.4
164.03352	6.4
164.06958	4.8
165.00694	11.5
168.98024	3.5
169.05254	5.1
170.03040	19.5
170.99678	5.8
171.04059	12.2
172.95248	5.6
173.01285	7.0
173.02917	12.3
174.07652	9.3
174.14886	11.2
177.00681	24.2
177.07793	3.9
178.04913	5.4
179.02296	4.1
180.04587	17.2
181.00166	5.0
183.04208	7.9
185.02844	5.1
186.96799	7.6
186.99152	13.8
189.00739	9.0
191.02185	7.9
192.02925	5.9
192.04689	17.8
192.06625	15.5
192.08649	27.9
192.10292	12.0
192.12291	6.5
192.15961	14.7
192.17509	11.6
193.05009	10.0
194.04329	7.1
195.01826	4.1
197.03049	4.2
201.00673	8.2
201.05142	10.3
203.03972	6.1
204.97955	7.0
205.00192	11.2
207.01816	11.5
209.03279	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41777	0.4
50.79258	0.3
52.45720	0.3
53.03935	0.7
55.01660	0.3
55.01869	3.9
55.05505	1.8
57.03419	0.5
57.07056	1.0
61.45737	0.3
64.86521	0.4
67.05508	2.3
69.03422	2.7
69.07063	12.5
71.04974	0.7
71.54930	0.8
79.05485	3.6
81.07042	2.4
83.04980	2.3
83.08594	0.8
91.05471	4.9
92.17270	0.3
93.06469	0.7
93.07041	12.5
95.04948	1.5
95.08118	0.4
95.08601	3.6
97.06519	2.2
103.05446	1.4
105.07022	5.7
107.04937	1.1
107.08589	12.8
107.11198	0.3
109.06515	2.0
109.10158	2.3
115.05433	0.5
116.06285	0.3
117.06997	2.3
118.04121	0.5
119.08579	4.0
121.06501	14.2
121.10127	8.8
123.08029	2.1
123.11702	0.7
129.06985	0.6
131.04877	1.4
131.08559	7.0
133.06497	0.7
133.10129	10.5
135.08052	8.1
135.11687	4.1
137.09590	1.3
143.08524	1.0
144.09312	0.4
145.10121	6.8
147.11674	22.0
149.09625	4.2
149.13243	7.9
158.10855	2.4
161.09592	5.1
163.07562	1.7
163.11212	1.7
163.14783	1.2
173.09598	1.0
173.13260	11.3
174.13606	0.4
176.04628	0.6
176.11922	1.1
191.07065	3.7
191.10744	3.2
191.14290	100.0
192.06685	0.3
192.14638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.8
55.01853	0.8
55.05515	4.8
57.07050	1.6
67.05481	3.3
69.03423	16.1
69.07068	7.6
70.71307	0.7
79.05484	5.3
81.07044	2.9
81.28747	0.7
83.04549	1.1
83.04985	14.7
83.08601	2.2
85.06532	1.2
91.05466	6.8
91.75294	0.7
93.07030	6.6
95.04932	1.9
95.08584	3.7
97.06525	1.6
103.05461	1.1
105.07020	9.7
107.04949	2.2
107.08591	27.7
109.06499	2.7
109.10114	2.5
111.08037	0.9
117.06989	2.8
119.08572	7.1
121.06499	6.3
121.10138	16.4
121.36693	0.8
123.08067	2.6
129.07007	1.7
131.04919	1.0
131.08566	12.1
133.10121	18.1
135.07098	1.2
135.08047	13.8
135.11705	3.8
136.08812	1.3
137.09650	1.5
143.08553	4.5
144.09299	1.6
145.10117	7.9
147.08026	1.7
147.11667	8.1
149.09627	6.7
149.13261	4.5
158.10857	7.7
161.09613	5.2
163.11186	1.3
163.14845	2.1
173.09677	1.0
173.13264	18.1
176.11958	2.8
191.07048	1.3
191.14294	100.0
192.14572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49456	0.4
55.05501	3.4
55.64164	0.4
57.03423	0.7
57.07076	0.7
65.03918	0.5
67.05509	2.2
69.03423	9.1
69.07062	2.9
70.92298	0.8
70.92632	1.0
71.05006	0.6
71.83752	0.5
79.05491	4.7
81.07053	5.7
83.04964	1.4
83.08634	0.5
85.06548	1.0
86.12206	0.5
91.05474	5.0
93.07034	4.8
95.04973	0.9
95.08601	2.6
103.05464	1.8
105.07023	9.7
107.04931	2.6
107.08585	17.1
109.06513	1.5
109.10137	6.0
115.05465	1.2
117.06980	1.3
119.08579	4.0
121.06493	2.1
121.10140	10.2
122.07276	2.9
123.08047	1.4
128.06210	0.5
129.07004	0.8
130.07809	0.9
131.04881	1.4
131.08553	5.8
133.10118	100.0
134.10487	0.8
135.08040	4.5
135.11652	2.3
137.09607	17.8
143.08559	1.5
145.06403	0.5
145.10127	4.3
147.11647	3.2
148.05174	0.5
149.09602	1.8
149.13246	9.2
150.09143	1.7
158.10912	3.0
161.09685	0.7
163.07558	1.0
163.11128	0.7
163.14809	1.3
167.12474	0.5
170.12825	0.4
173.05923	0.5
173.09729	0.7
173.13255	11.7
191.06972	1.7
191.10570	0.7
191.14290	24.6
191.17953	0.8
198.27614	0.4
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01861	0.8
55.05496	2.7
57.07067	0.7
57.60622	0.6
59.04980	0.7
67.05514	1.4
69.03432	8.2
69.07058	2.8
69.78782	2.6
69.79211	1.6
75.44675	0.6
79.05474	1.8
81.07038	2.7
83.04976	6.1
83.08592	1.3
85.06555	0.7
91.05459	2.8
93.07034	4.4
95.04933	1.3
95.08591	3.1
97.06503	1.0
103.32802	0.6
105.07011	4.5
107.04929	1.1
107.08588	14.8
109.06506	2.1
109.10147	2.3
110.00871	0.6
117.06988	1.0
119.08575	4.8
121.06483	3.3
121.09328	0.9
121.10138	8.5
123.08024	1.7
131.08569	6.1
133.10135	15.3
135.08044	7.4
135.11682	1.6
137.09593	1.7
143.08589	1.2
145.10081	4.2
147.11674	4.9
148.08801	0.8
149.09602	2.8
149.13239	3.6
158.10930	3.8
159.08069	0.7
161.09593	3.2
163.14868	1.2
173.13264	11.2
176.11961	0.8
178.80798	0.7
191.14299	100.0
192.14679	2.2
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
52.96819	0.7
53.20586	0.8
55.01856	0.9
55.05506	4.4
57.03416	1.5
57.07067	1.4
59.04982	2.8
67.05487	4.8
69.03423	4.1
69.07060	8.7
70.39906	2.7
71.04974	2.3
79.05482	6.5
81.07043	9.1
81.13366	0.9
83.04955	3.8
83.08600	3.5
85.06527	2.3
91.05466	13.9
91.07858	0.9
93.07034	12.1
95.04953	5.1
95.08051	1.0
95.08598	8.8
97.06512	9.1
98.16460	0.8
98.20861	1.1
99.08056	1.0
103.05457	2.9
105.07020	34.3
107.04976	1.8
107.08583	20.9
109.06529	5.1
109.10124	6.8
111.08064	2.2
115.05392	1.2
116.06217	1.0
117.06994	5.4
119.06063	0.8
119.08565	12.2
121.06496	5.2
121.10135	13.4
123.08067	4.8
129.06987	2.1
130.07744	1.9
131.04901	2.1
131.08559	35.4
133.10118	100.0
134.10449	1.5
135.08037	12.3
135.11661	4.1
137.09599	1.0
143.08542	4.1
144.09308	1.5
145.10107	15.6
147.08043	1.6
147.11676	16.1
148.05200	2.0
148.36276	0.8
149.09586	6.7
149.13266	11.0
158.10901	7.6
158.84377	0.8
159.08066	1.8
161.09557	1.2
161.13205	1.2
163.07509	2.5
163.11150	3.3
163.14818	4.9
173.13249	49.8
176.04718	1.1
191.03424	2.0
191.07007	4.3
191.10713	6.0
191.14287	64.5
192.14622	1.8
198.68747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.86389	0.5
55.05501	2.9
57.03426	0.5
57.07051	0.6
62.31572	0.4
67.05508	2.4
69.03424	6.3
69.07065	3.2
70.56940	1.6
70.79826	0.6
76.84490	0.4
79.05081	0.8
79.05480	4.4
81.03431	0.6
81.07053	4.1
83.04979	1.6
83.08614	0.9
90.39307	0.4
91.05489	3.6
93.07046	4.5
95.08594	1.5
103.70657	0.5
105.07026	7.9
107.04953	2.8
107.08593	14.8
109.06537	1.2
109.10152	5.5
115.05395	0.6
117.07024	1.1
118.07782	0.7
119.08572	3.0
121.06509	1.5
121.10136	9.7
122.07283	2.2
123.08084	1.4
125.56096	0.5
131.08557	4.6
133.10123	100.0
134.10486	1.2
135.08060	2.7
135.11673	1.4
137.09613	15.3
143.08553	1.4
145.10115	2.3
147.11678	1.8
149.09631	1.7
149.13245	10.8
156.96204	0.4
158.10895	2.4
163.14815	1.7
173.13272	8.7
173.14658	0.7
187.66096	0.6
191.14293	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.59543	0.6
55.01860	1.1
55.05489	2.5
59.04970	0.8
65.03921	1.3
66.83990	0.7
67.05499	6.9
69.03415	5.1
69.07054	5.7
70.20364	1.0
70.20778	2.5
71.04987	13.6
77.35145	0.6
79.05483	6.2
81.07056	9.6
83.04944	1.9
83.08577	1.3
85.06531	7.8
91.05470	11.6
93.07035	13.8
95.04965	4.7
95.08592	13.2
97.06521	13.0
103.05444	2.1
105.07024	19.9
107.04950	1.6
107.08590	31.8
109.06506	7.5
109.10142	6.8
111.08069	4.2
116.06246	0.9
117.07015	3.0
119.08563	10.0
121.06507	1.5
121.10133	32.0
123.08080	3.9
123.08807	0.8
129.06998	2.0
131.04901	2.0
131.08562	15.7
133.10123	26.3
135.08035	17.9
135.11674	2.9
137.85312	0.7
143.08569	2.8
144.09329	1.6
145.10117	8.2
147.11688	16.3
149.09656	4.9
149.12163	1.3
149.13243	14.8
156.45110	0.8
158.10918	6.6
161.09593	0.9
163.07527	1.5
163.11145	1.8
163.14821	1.8
173.09683	1.0
173.13255	28.8
176.12021	0.8
191.03294	1.0
191.07066	4.2
191.10626	2.5
191.14294	100.0
191.17928	2.7
192.14650	2.1
205.34395	0.8
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.64607	0.7
55.01855	1.3
55.05496	3.5
67.05488	3.0
69.03423	10.1
69.07069	6.5
70.39989	0.8
71.34377	1.0
71.34724	1.5
79.05462	3.2
79.43769	0.8
80.37998	0.7
81.07036	3.2
83.04974	10.2
83.08602	1.9
85.06551	0.8
91.05456	5.5
93.07059	6.3
95.04967	1.6
95.08611	7.1
97.06516	1.8
103.05476	1.0
105.07027	6.3
107.04934	2.2
107.08591	20.2
109.06499	3.7
109.10137	3.3
115.05463	0.8
117.06994	2.1
119.08592	4.3
121.06508	4.1
121.10136	10.8
123.08070	1.6
123.11665	1.7
129.07004	0.9
130.07794	0.8
131.08557	8.2
133.10126	10.8
135.08037	10.3
135.11694	4.5
135.14561	0.8
136.08778	1.0
141.71486	0.8
143.08553	2.2
145.10101	5.9
147.11681	4.9
148.08751	1.2
149.09631	3.0
149.13283	4.1
158.10938	5.0
161.09579	2.6
163.14876	1.1
173.13243	10.6
176.11919	1.7
176.46988	0.8
177.07848	3.6
191.09032	1.5
191.14297	100.0
192.06447	1.2
192.10216	8.9
192.14644	2.1
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
52.91042	1.3
53.03923	2.9
55.01863	2.2
55.05512	12.5
57.03424	5.8
57.07061	2.6
57.90417	1.4
59.04990	1.6
61.63374	1.5
65.03928	1.9
65.65062	1.5
67.05495	11.6
69.03072	2.6
69.03422	40.0
69.07050	10.7
71.04964	6.1
71.38826	3.4
71.51659	1.4
75.22717	1.5
79.05486	17.7
81.03403	5.9
81.07056	20.0
83.04966	6.5
83.08614	4.4
85.06536	12.5
89.31441	1.7
91.05471	20.7
93.07030	30.7
95.04955	6.7
95.08608	24.2
97.06540	9.3
103.05434	2.2
105.07022	46.2
107.04913	2.5
107.08593	48.8
109.06497	15.2
109.10152	10.1
111.08059	4.7
115.05431	3.0
116.98648	1.8
117.07003	8.4
119.07804	2.0
119.08587	34.9
121.06481	11.2
121.10134	27.6
121.10944	1.1
122.10532	1.7
123.08060	9.3
123.11720	2.5
128.06238	1.9
129.06993	5.2
130.07796	2.6
131.04900	2.8
131.08559	47.4
133.10124	55.7
135.08044	22.0
135.11697	9.7
136.08740	2.1
137.09630	2.1
143.08527	8.7
144.09262	3.9
145.10112	23.9
146.05940	2.9
147.08025	2.5
147.11676	24.2
148.08693	2.5
149.09584	8.5
149.13232	17.4
156.74193	1.4
158.10941	13.4
161.13254	8.5
163.11153	3.6
163.14824	13.8
168.37239	1.6
173.13258	59.9
176.04716	2.0
191.06883	3.3
191.10786	3.2
191.14293	100.0
211.13011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.28372	0.9
55.05485	3.0
57.07050	1.8
59.04991	1.2
67.05487	4.4
67.65980	1.1
69.03429	11.5
69.07057	5.6
69.56901	8.1
71.04973	2.6
73.76469	0.9
79.05493	5.8
81.07059	6.3
83.04974	10.3
91.05471	6.6
93.07041	7.5
95.04955	2.1
95.08617	6.5
97.06514	1.9
103.05444	3.2
105.07018	11.9
107.04934	2.4
107.08590	23.1
109.06533	4.7
109.10162	5.0
115.05402	1.6
117.07001	4.1
119.08591	7.6
121.06479	4.5
121.10140	14.5
123.08089	2.8
123.11712	1.9
129.07010	2.4
131.04880	1.4
131.08559	13.8
133.10121	18.2
135.08044	12.7
135.11664	4.6
136.08771	1.1
137.09616	2.4
143.08577	4.7
144.09299	1.3
145.10141	5.0
147.11679	7.1
149.08459	1.1
149.09583	4.2
149.13226	5.9
158.10887	7.3
161.09607	4.2
163.14847	2.1
173.09584	1.3
173.13272	16.5
176.11963	2.4
177.07849	3.9
189.12933	1.1
191.07037	3.4
191.09018	1.8
191.10654	4.1
191.14296	100.0
191.17934	4.2
192.06607	1.8
192.10152	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	191.1065
Annotation	Propyl cinnamate
Peak:m/z	Relative Intensity
51.02378	0.3
53.03934	0.5
54.86121	0.2
55.01860	0.3
55.05508	1.1
56.96547	0.5
57.03419	0.3
57.07068	0.5
62.82017	0.2
67.05501	1.2
69.03413	0.9
69.07064	0.9
70.18717	1.4
71.05049	0.4
77.03922	0.4
79.05495	1.9
81.07045	1.6
83.04972	0.7
83.08585	0.4
85.06534	0.3
91.05466	2.9
93.07024	1.8
95.04975	1.0
95.08602	1.3
97.06543	0.4
98.21408	0.3
103.05456	23.4
105.07016	5.0
107.04952	1.3
107.08578	3.3
109.06515	0.8
109.10159	1.6
115.05424	1.4
116.06214	1.1
117.07010	9.5
118.04162	0.6
119.08588	1.2
121.06522	1.2
121.10152	2.4
121.95610	0.3
123.04424	4.8
123.08144	0.5
123.11668	0.7
128.06204	0.6
129.06995	1.3
130.04173	0.8
130.07787	3.2
131.04916	56.3
131.08556	2.6
132.05240	0.8
133.06459	0.3
133.10129	3.3
135.08060	1.8
135.11687	1.3
137.05937	0.5
143.08575	1.1
144.05698	3.6
145.06477	11.9
145.10110	19.1
146.05896	0.3
146.06958	0.3
147.04401	0.5
147.11671	0.8
148.05161	2.4
149.05968	100.0
149.13252	0.8
150.06306	1.6
152.62186	0.3
153.06978	0.3
155.06073	0.7
155.08553	1.2
157.06445	0.3
158.07260	4.3
158.10849	0.4
161.06023	1.3
161.09544	0.5
162.06750	3.3
163.03944	0.3
163.07574	2.1
163.11200	0.8
173.06209	0.4
173.09612	24.7
173.13106	1.9
174.09941	0.6
175.07428	0.3
176.04646	0.9
176.08289	0.8
177.07831	0.4
181.97942	0.3
183.09175	0.3
191.03365	0.7
191.07076	3.9
191.10654	60.2
191.14255	7.0
191.17841	1.3
192.06561	0.4
192.10918	1.0
192.17439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1259
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99053	0.6
53.62189	0.4
55.05493	1.1
56.96552	1.4
57.07072	17.3
58.65879	0.5
59.99107	2.9
62.99054	0.5
65.03950	0.4
67.05514	1.0
69.03419	0.7
69.07048	1.2
71.60597	0.6
77.36816	0.4
78.00150	26.6
79.05487	1.9
81.07045	1.8
83.08596	0.5
84.08100	0.5
86.09693	6.6
88.02208	0.7
91.05450	2.1
92.01672	0.7
93.07038	2.3
95.08599	1.8
96.08953	0.9
103.05453	1.4
105.07047	2.2
106.06562	0.6
106.07327	0.8
107.08605	2.6
109.06471	0.6
109.10130	1.8
111.04469	0.8
116.05293	1.1
118.06538	0.5
119.08575	1.0
120.08112	0.5
120.08895	0.8
121.02854	1.1
121.06461	0.6
121.10154	2.4
124.04653	0.6
131.04924	1.4
131.08565	0.7
133.05103	0.6
133.10123	2.1
134.06345	34.9
134.10439	1.5
135.08063	1.1
135.11659	1.4
135.55412	0.5
145.10107	1.8
146.05951	0.5
147.04393	0.6
147.06653	0.9
147.11717	0.6
148.07857	2.7
149.02324	3.3
149.13214	0.9
162.05447	2.1
163.07492	0.9
167.05614	0.6
172.07527	1.5
172.11984	0.7
173.13271	1.0
174.05440	0.8
175.06259	0.8
190.04857	3.4
190.08745	5.5
190.12592	100.0
190.16476	1.9
191.03410	0.7
191.07016	1.9
191.10670	1.8
191.12840	1.2
191.14366	2.2
191.17950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17938	0.7
50.89369	0.9
64.21032	0.8
67.05480	0.9
69.03413	3.9
69.71700	6.2
69.72076	0.8
70.48634	0.8
71.06667	0.8
71.26259	0.7
79.05474	1.1
87.54221	0.9
91.05460	3.2
95.04999	1.0
98.20731	1.0
105.07028	8.8
107.08595	1.5
117.06999	3.6
119.08570	9.7
128.06195	1.5
129.06963	1.3
130.07739	4.3
131.08548	3.2
133.06506	1.0
133.10103	2.0
141.06979	6.5
142.07651	1.2
143.08548	5.2
144.09351	1.3
145.06482	1.4
145.10114	14.9
147.08012	4.6
147.11685	9.9
155.08557	2.4
156.09340	40.3
157.09680	1.1
159.08058	4.0
159.11685	13.2
160.08820	1.8
161.09613	1.4
161.13240	2.2
171.11685	61.0
172.12048	1.6
174.10370	7.5
189.12733	100.0
190.13055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
57.07958	1.2
59.46126	1.1
60.66629	1.0
67.05473	3.0
69.03427	11.2
69.07056	2.3
69.30432	2.7
69.30839	10.3
77.01971	1.2
79.05469	5.1
81.07040	3.8
83.04965	2.7
91.05471	9.9
93.07021	4.8
95.04947	2.3
95.08635	2.2
105.07024	29.8
107.08575	4.9
109.06495	1.7
115.05421	1.8
117.06999	6.6
119.04945	2.8
119.08570	39.9
120.08931	1.4
121.06458	1.4
121.10114	1.5
128.06223	5.0
129.06985	5.6
130.07762	2.1
131.08560	7.5
133.06491	4.6
133.10118	12.2
135.08055	4.3
141.06960	7.0
142.07739	1.9
143.08560	11.2
144.09373	1.6
145.06439	2.2
145.10115	15.6
147.08020	13.6
147.11674	23.4
155.08501	1.3
156.09335	43.5
159.08063	6.6
159.11685	10.6
160.08812	4.0
161.09599	6.7
161.13251	15.2
171.11676	50.4
172.12051	1.3
174.10376	9.9
189.12733	100.0
190.13092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
69.03436	3.8
70.54395	1.4
70.54781	1.7
77.99165	0.6
79.05474	0.7
81.07035	0.8
83.04987	0.7
91.05471	4.2
96.87581	0.5
105.07023	8.7
107.08585	1.8
109.06426	0.6
112.43206	0.6
115.05450	0.7
117.06999	2.5
119.04961	0.6
119.08572	13.6
121.10147	1.0
128.06175	3.2
129.06985	3.6
129.58540	0.6
130.07761	3.3
131.08560	5.2
133.06476	1.9
133.10139	4.3
135.08011	0.9
141.06993	5.1
142.07718	0.7
143.08534	5.5
144.09302	1.9
145.06409	1.0
145.09029	1.0
145.10123	16.4
146.10863	1.8
147.08029	5.6
147.11681	13.9
151.48572	0.6
155.08490	2.2
156.09340	38.2
157.09732	1.0
159.08058	4.7
159.11694	11.7
160.08807	1.7
161.05989	1.6
161.09663	2.8
161.13272	3.5
171.11682	55.5
172.12079	1.4
174.06845	0.7
174.10379	8.0
189.12729	100.0
190.13034	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.04289	0.4
55.05495	0.6
56.05031	0.8
56.42933	0.3
56.56128	0.3
56.96549	1.9
57.03429	0.7
60.04513	0.7
61.02918	1.2
69.03429	1.0
69.07060	0.5
69.16672	0.3
71.60236	0.6
71.60565	0.4
72.04518	0.4
72.08189	0.3
80.04969	0.3
81.03397	0.4
82.06602	0.4
83.04977	0.7
83.06112	0.4
84.04492	9.4
84.08158	0.5
85.02911	1.8
85.03351	0.3
87.04469	0.9
88.03979	0.3
91.05471	3.7
96.04452	0.5
97.02884	0.4
98.97578	0.4
100.07584	0.8
110.06066	0.4
110.35231	0.3
111.04457	0.4
111.09136	0.3
115.05444	6.1
116.98675	0.8
117.05738	1.1
117.07025	3.8
118.06532	64.5
119.01826	0.8
119.06879	1.1
126.05504	0.5
128.02348	0.6
128.05002	0.6
128.06204	0.4
128.07085	0.8
130.02820	0.4
132.08041	0.6
134.05994	0.4
134.99686	0.5
137.02882	0.5
139.53143	0.4
142.06502	6.3
142.08594	0.4
143.07300	10.6
143.08376	0.4
144.04442	1.1
144.08073	23.9
145.06465	1.2
145.08421	0.4
146.05994	100.0
147.06340	1.9
155.06038	0.6
160.07545	1.5
160.09668	1.0
161.05997	0.6
170.05995	7.7
170.08099	0.8
170.11838	0.4
171.11357	0.4
176.05185	0.4
188.07050	27.5
188.09062	2.3
189.05460	0.4
189.07381	0.7
189.09029	0.4
189.12660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03937	1.5
55.05505	3.8
57.07067	1.7
58.19147	0.8
58.48783	0.9
59.04998	1.7
67.05502	4.5
69.06717	1.3
69.07066	17.1
70.06644	0.9
70.30508	2.0
70.30890	1.8
71.04989	25.0
73.06578	1.3
75.12310	0.8
79.05491	16.8
81.07053	100.0
82.07368	1.5
83.04988	4.7
83.08599	1.6
84.04516	1.5
85.06554	1.1
91.05479	3.1
93.07032	4.6
93.37946	0.8
95.04957	2.4
95.08595	2.9
97.06528	5.2
97.10188	1.6
99.08086	4.4
101.06018	1.0
105.07045	2.5
107.08591	13.1
109.06511	1.9
109.10152	18.9
110.65717	0.8
111.08081	2.5
111.11723	8.9
121.10142	2.4
123.08028	0.9
123.11709	19.7
133.10129	3.2
139.11156	11.0
151.11174	13.0
157.12253	5.6
159.08101	0.9
169.12218	9.0
181.43892	0.9
187.13362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01860	0.3
55.05502	0.6
56.96535	0.3
57.07061	0.5
57.58917	0.2
59.06118	0.4
67.05494	1.6
69.03415	1.0
69.07052	0.5
71.04978	0.7
71.59473	0.3
71.59816	0.3
75.62916	0.2
79.05499	0.5
81.03426	1.2
81.07051	1.4
83.04981	0.4
83.08600	0.6
84.04498	1.5
85.02887	0.9
85.06516	0.7
88.02213	1.4
91.05473	3.2
93.07053	0.3
95.04940	0.3
95.08593	0.8
99.04439	0.5
103.05467	0.4
105.03383	0.3
105.07022	4.8
107.08582	0.3
109.02834	0.4
109.06493	0.5
109.10133	0.6
115.05413	1.2
116.06236	0.8
117.07005	3.7
118.06570	0.3
119.08574	8.9
123.08047	0.2
127.03889	0.5
128.06175	1.8
128.07008	0.3
129.07005	8.0
130.07808	1.3
131.04915	0.3
131.08565	8.7
131.30324	0.2
133.10150	0.3
141.06982	0.9
141.09081	0.3
142.07767	1.0
143.08548	2.0
144.05730	2.1
144.09334	16.2
145.06502	1.3
145.10147	2.9
146.06032	0.5
147.08023	0.6
151.07544	0.3
151.11165	0.3
154.07785	1.1
157.06523	1.2
157.10120	1.3
158.07257	0.4
159.06851	0.4
159.08083	2.7
159.11684	27.7
160.12004	0.8
168.14682	0.3
169.06433	0.3
169.10110	2.1
169.12230	0.3
171.08034	0.7
172.05215	1.9
172.08813	9.0
173.00801	0.4
186.10431	0.4
187.07639	7.0
187.11166	100.0
188.11522	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0389
Annotation	Psoralen
Peak:m/z	Relative Intensity
51.35269	0.3
53.03925	0.4
55.05508	0.5
56.96544	1.0
57.07059	0.3
67.05481	0.8
69.03401	1.0
69.07049	0.5
69.99247	0.6
69.99669	1.2
71.23969	0.3
75.22748	0.3
79.05486	0.5
81.03418	1.5
81.07055	1.4
83.04964	0.2
83.08599	0.7
84.04480	0.8
85.02886	0.9
88.02189	2.0
89.89728	0.3
90.72994	0.2
91.05459	1.1
93.06998	0.4
95.04917	0.4
95.08582	0.9
97.02900	0.3
99.04443	0.5
103.05426	0.5
104.90778	0.3
105.03368	0.6
105.07011	1.0
106.03788	0.4
107.08619	0.4
109.02848	0.4
115.05446	22.5
117.07011	0.8
119.08570	0.6
123.08064	0.4
127.03898	0.6
128.07112	0.3
128.97766	1.3
129.06999	0.9
130.07776	0.4
131.04919	30.6
131.08554	3.0
132.05283	0.5
137.98409	1.3
140.48618	0.6
141.06931	0.5
143.04910	14.7
143.08511	0.5
144.05692	0.4
144.09279	0.3
145.06509	0.7
145.10091	3.6
149.49168	0.6
151.99466	0.3
154.07710	0.4
157.10052	0.3
159.04439	2.6
159.06863	0.4
159.08040	1.2
159.11719	1.4
160.99977	0.3
163.03912	0.7
169.10164	0.4
172.08778	0.6
173.00806	0.9
186.18571	0.3
187.03894	100.0
187.11157	3.0
187.14807	4.7
188.04268	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01867	2.5
55.05516	0.4
56.96552	0.4
61.52022	0.4
61.93495	0.4
69.03426	0.6
69.87349	2.7
70.30090	0.4
77.98508	0.4
79.05519	0.6
81.07053	0.4
88.02181	0.6
91.05473	11.3
95.68147	0.5
100.02486	1.0
103.05473	0.9
105.06948	0.6
115.05431	3.2
116.06237	2.5
116.85753	0.5
117.07025	4.4
118.61433	0.4
124.54242	0.5
129.07007	4.5
131.04930	2.1
131.07579	0.8
131.08560	12.7
141.06975	11.6
143.55006	2.0
144.05701	11.6
145.06380	0.6
145.10121	1.8
155.51880	0.5
159.08049	100.0
160.08420	2.3
164.57335	1.1
169.06500	1.7
172.05093	0.5
173.05995	4.7
187.07536	76.9
187.14841	1.4
188.08209	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	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.37255	0.5
51.61470	0.5
53.03930	0.7
53.26775	0.6
53.51641	0.6
55.01849	1.2
55.05507	0.9
56.96555	3.8
57.07053	1.4
59.77125	0.6
67.05480	0.8
69.03445	2.9
70.98581	1.6
71.04964	0.6
71.08627	0.9
79.05489	1.2
81.03407	2.1
81.07027	1.6
83.04948	0.7
83.08587	1.7
84.04494	2.7
85.02878	1.5
88.02213	6.4
91.05477	15.9
93.07018	0.8
95.04943	0.9
103.05441	2.4
104.90786	0.6
104.99257	1.6
105.03391	0.7
105.07001	2.1
109.02792	0.8
115.05438	8.2
116.06223	8.8
117.06989	2.0
118.04156	0.9
123.07969	0.8
124.07550	0.7
127.03903	1.1
128.06209	1.6
128.97835	1.8
129.06963	3.0
130.07771	1.1
131.04893	3.1
131.08560	4.9
137.98380	4.1
140.48592	1.4
141.06969	4.9
144.05708	7.0
145.06419	1.0
145.10130	3.6
149.49126	2.0
151.99390	0.9
157.06465	1.2
158.07274	1.3
159.04430	0.9
159.06985	0.6
159.08066	5.0
159.11646	2.1
160.05176	0.6
160.99939	1.1
168.08488	0.7
168.99467	0.5
169.05096	0.7
169.06470	0.9
171.04353	0.7
172.08763	0.9
173.00847	1.3
173.06009	1.0
186.06714	0.8
187.03946	2.1
187.07533	100.0
187.12698	1.6
187.14767	4.0
187.18872	2.2
187.22504	2.1
188.07864	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
51.02364	0.3
53.03939	0.6
54.04295	0.3
55.01867	0.6
55.05507	1.0
56.05025	0.5
56.96560	0.9
57.03432	0.5
58.02959	2.0
58.06593	0.4
59.06124	0.6
60.04522	16.6
61.02921	0.4
67.05502	1.7
68.05024	0.6
68.05827	0.4
69.03426	1.0
69.07063	100.0
70.06580	0.6
70.07409	1.2
71.04990	0.5
71.08627	3.2
71.59293	0.3
72.04500	0.3
72.08144	0.7
73.02906	1.0
77.00917	0.5
79.05493	0.7
80.04964	0.4
81.03424	0.5
81.07057	1.0
82.02928	0.2
82.06562	0.5
83.04980	0.4
83.06126	0.5
83.08613	0.6
84.04515	0.7
84.08144	0.4
85.02901	0.9
85.07663	0.3
86.02422	14.8
86.06047	1.1
91.05480	0.6
93.07036	1.0
95.04981	2.6
95.08633	0.6
96.04504	1.7
96.05296	4.2
96.08118	1.6
97.02877	1.4
97.06522	8.0
97.07631	0.9
98.06020	0.4
98.06847	0.3
99.05555	0.4
100.07625	0.9
101.95030	0.8
105.07063	0.6
106.04805	0.3
107.08578	0.6
109.02879	0.4
109.07660	0.6
110.06025	0.7
110.09698	1.1
111.04455	0.3
111.08077	0.3
111.09184	0.3
113.07138	0.2
114.09152	0.6
116.98584	0.3
119.01909	4.5
119.04898	0.3
119.96069	0.4
120.08121	0.3
120.97878	0.5
121.06480	0.4
121.10147	1.2
123.04464	1.4
124.03934	0.5
124.04753	4.3
124.07595	0.6
124.08498	0.3
125.02286	0.5
125.05965	0.7
125.07121	0.7
125.07946	0.3
125.09657	0.6
126.03014	0.3
127.03890	0.3
127.07616	0.3
127.08714	0.5
129.06999	0.4
130.55229	0.3
131.01929	0.8
134.55550	0.3
134.99579	0.3
136.06190	0.3
137.02937	1.9
137.97058	0.6
138.05434	0.4
138.06342	1.0
138.09129	8.2
138.10188	0.6
138.98938	0.5
139.03882	0.3
139.07507	0.3
139.11186	0.6
140.04631	0.6
140.08234	0.3
141.04961	1.4
142.03535	1.1
142.08627	0.6
142.09737	0.3
143.01932	0.4
143.08545	0.4
145.03438	1.4
147.04384	0.4
148.04744	0.4
149.02974	0.3
149.05928	0.2
155.01865	0.2
155.98065	0.4
156.07367	1.6
156.10187	5.9
156.13823	0.4
157.03481	0.4
157.04900	0.3
157.10147	0.7
158.56557	0.7
160.04482	0.5
161.01184	0.3
161.02930	0.8
162.00554	0.2
163.04448	0.5
166.04909	0.6
166.08606	1.6
166.09630	0.4
167.06992	0.4
167.10674	0.6
167.57085	0.5
170.07332	0.3
172.24869	0.3
172.56322	2.8
173.02913	0.7
173.06464	0.7
179.03957	0.6
181.56822	5.0
182.06911	1.4
182.56773	0.3
184.07011	1.4
184.09666	38.4
184.16937	0.8
185.02867	0.5
185.04387	0.3
185.09950	1.3
185.11644	0.4
185.13271	0.8
190.57375	0.3
191.07635	0.4
193.07748	0.6
200.07684	1.0
203.04109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03937	1.8
55.01862	1.5
55.05509	16.4
57.03428	2.6
57.07063	2.0
57.92413	0.8
58.27401	0.7
58.60621	0.6
65.03940	1.6
67.02604	0.6
67.05502	28.6
69.03426	1.2
69.07066	25.0
69.30558	0.8
69.30955	7.1
71.04991	11.7
71.07870	0.6
73.06557	0.6
79.05489	17.5
81.07053	100.0
82.07387	1.3
83.04972	6.0
83.08612	9.6
85.02905	1.2
85.06531	12.5
85.07001	1.0
91.05474	14.5
91.06008	1.3
93.07034	13.2
95.04966	10.5
95.08605	22.1
97.06540	4.3
97.10162	0.8
98.21537	1.4
98.98465	6.4
99.04440	1.4
99.08081	3.5
101.95060	0.7
105.03387	3.2
105.07027	28.0
107.08590	13.2
109.06515	8.4
109.10155	2.9
111.08067	3.5
113.06020	2.4
117.07015	1.3
118.98170	0.8
118.99003	1.0
119.08572	23.8
121.10138	27.8
121.60142	0.6
123.04423	8.6
123.08078	5.7
123.11700	44.3
127.01566	1.2
127.07574	3.3
129.06989	1.2
129.89922	0.6
136.99182	1.1
137.06062	0.7
137.09628	1.6
137.13281	2.5
140.04694	3.0
141.06963	7.5
147.11681	54.0
148.11975	0.8
154.07762	0.8
155.07048	2.4
155.08572	3.4
165.12746	26.0
166.13083	0.8
183.06462	0.8
183.11655	5.1
183.13724	3.3
194.41258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Nordephrine
Peak:m/z	Relative Intensity
53.03944	0.9
54.98118	0.4
55.01876	1.5
55.05510	1.6
56.05022	0.8
56.96567	1.1
57.03439	0.9
58.02962	2.4
58.06595	0.9
59.06118	1.1
60.04213	0.8
60.04520	16.7
67.05505	3.7
68.05016	0.8
68.05827	0.5
69.03114	0.4
69.03411	2.1
69.07063	100.0
70.06589	1.3
70.07391	1.1
71.04994	1.3
71.08629	2.9
71.58283	0.7
72.07771	0.4
72.08138	2.0
73.02911	1.6
75.78129	0.4
79.05485	2.1
80.05006	0.5
81.03418	1.0
81.07042	2.2
82.06565	0.9
83.04977	1.5
83.06115	0.9
83.08607	0.7
84.08131	0.7
85.02901	1.1
85.06522	0.6
86.02421	15.3
86.06084	1.0
88.04008	0.4
91.05482	0.8
92.05805	0.4
93.07027	2.4
94.06577	0.5
95.04967	4.7
95.07320	0.4
95.08602	7.0
96.04501	1.9
96.05293	5.4
96.08116	1.9
97.02889	1.3
97.06519	7.2
97.07645	1.3
97.10174	0.4
98.06071	0.6
99.04459	0.4
100.03978	0.5
100.07616	1.2
101.00884	0.8
101.70557	0.4
101.95019	1.1
105.03388	0.7
106.03712	0.6
107.08578	1.4
109.06513	0.4
109.07632	0.9
109.10121	1.1
110.06050	2.2
110.09676	5.7
110.10393	0.8
111.08071	0.5
111.09232	0.4
112.07576	0.4
114.09155	0.6
119.01920	7.5
119.96078	0.5
120.08120	2.2
120.08872	0.4
120.97911	1.2
121.06485	1.3
121.10160	1.8
122.05979	0.4
123.04424	1.7
123.06778	0.5
123.08062	0.8
124.04750	5.0
124.07602	4.8
124.08504	0.8
125.05978	0.9
125.07103	1.0
125.09659	1.0
128.06206	0.9
129.06996	1.1
131.01910	1.0
134.99683	0.6
136.06149	0.8
136.08673	0.4
137.02931	4.3
137.09566	0.6
137.97034	1.0
138.03050	0.6
138.05489	1.2
138.09128	37.6
138.12769	2.2
138.98918	1.4
139.03912	0.8
139.07587	0.6
139.09464	0.8
139.11177	0.6
140.04651	0.4
141.05019	2.2
142.03511	1.8
142.07703	0.6
142.08672	0.5
143.01848	0.6
143.08548	1.2
145.03490	1.1
148.07582	0.7
149.05971	0.8
149.09537	0.7
154.09859	0.4
155.98112	1.2
156.07353	1.4
156.10210	5.4
156.13879	0.5
157.10081	1.1
158.56584	0.5
161.02980	1.8
163.55780	0.5
166.05008	1.6
166.08624	38.5
167.06956	0.6
167.09091	0.6
167.10629	1.0
167.57109	0.5
170.10803	0.6
172.56337	3.3
173.06557	0.5
179.03909	0.9
181.56857	3.5
182.06856	1.6
184.04192	0.9
184.07350	2.1
184.09659	40.2
184.16949	4.7
185.02881	0.7
185.04439	0.6
185.09885	0.4
185.13239	1.6
193.07564	0.7
200.07643	1.3
204.58432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02379	0.8
53.03943	10.2
53.04193	0.5
55.01868	2.0
55.05505	1.6
58.31107	0.6
59.06123	2.3
60.35816	0.5
65.03932	4.4
67.05501	9.4
69.03419	1.1
69.07063	0.8
70.06580	0.6
70.71279	0.6
70.71599	0.9
71.05021	1.4
77.03928	1.8
79.05489	2.0
79.37734	0.5
81.03410	2.8
81.07040	3.1
83.04972	1.0
85.02895	1.4
85.07664	0.7
85.79642	0.5
91.05489	2.0
93.07040	2.6
95.04962	100.0
95.08602	5.4
96.05287	1.3
97.02866	1.3
97.06534	1.3
97.07640	0.7
98.98446	4.8
99.04449	1.1
105.03406	4.4
105.04489	3.7
105.07030	1.3
105.23335	0.5
107.08591	1.1
109.06492	1.1
109.07632	1.0
109.10145	2.1
110.03735	0.7
111.04429	1.2
113.02353	0.9
118.98193	1.0
119.01936	1.6
119.08580	4.9
121.10132	1.1
123.04419	83.2
123.08023	2.9
123.11636	0.7
124.04771	0.7
124.08714	1.2
125.02363	3.7
125.05992	0.6
125.07101	1.9
127.07552	0.9
132.27429	0.6
133.02847	1.2
134.02417	0.5
136.94122	0.6
137.05977	2.1
137.09581	4.1
139.07600	0.9
140.04674	29.3
140.08095	0.6
141.05400	0.5
142.03583	0.8
147.08063	1.4
155.07016	25.3
160.04523	0.9
165.05429	0.6
165.09122	2.1
165.12781	0.9
166.09749	0.6
182.95393	0.5
183.06532	7.9
183.09033	1.5
183.10237	1.7
183.11713	0.5
183.12256	0.5
194.64401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
51.02367	0.6
53.03696	0.7
53.03941	9.3
55.01860	4.0
55.05506	1.3
56.05028	0.8
56.96559	1.8
57.03440	0.6
58.06632	0.5
59.06118	3.9
62.52401	0.4
65.03930	4.3
67.05496	10.6
68.05042	0.7
69.03426	2.3
69.07057	1.1
69.69957	2.9
70.06573	0.7
71.04987	1.0
77.03923	1.4
79.05491	1.7
81.03423	2.2
81.07047	3.1
82.06583	0.5
83.04957	1.1
83.06097	1.3
83.08603	0.8
85.02886	1.1
85.06532	1.0
85.07643	0.9
86.08459	0.6
91.05471	2.1
93.03361	0.5
93.07051	2.2
95.04959	100.0
95.08582	4.8
96.05273	1.3
96.08132	0.9
97.02872	1.6
97.06538	1.1
97.07629	1.9
98.03627	0.5
98.06085	0.8
98.07154	0.7
98.97580	0.8
98.98461	5.0
99.04443	1.3
99.05583	0.6
99.08054	0.7
100.97160	0.5
101.07098	0.5
103.05492	0.5
105.03379	3.1
105.04484	4.6
105.07011	2.9
107.08584	1.4
109.06538	2.3
109.07630	2.0
109.10124	2.5
110.03608	0.7
110.06078	1.0
111.04432	1.7
111.08057	0.6
112.08726	0.6
116.98598	0.9
118.06561	0.7
118.99009	0.5
119.01921	1.0
119.04930	1.9
119.08556	2.8
121.06488	1.2
121.10123	1.5
122.03645	0.8
122.07087	0.6
123.04416	88.8
123.08032	3.2
124.04745	0.8
124.07581	14.0
124.08664	2.1
125.02344	3.1
125.05981	1.3
125.07111	2.0
125.09566	0.9
127.01553	1.1
127.07561	0.6
127.08671	0.6
133.02800	0.9
134.99628	0.5
136.08662	0.7
136.99185	0.5
137.05977	4.2
137.09619	3.1
138.09113	1.4
138.10126	0.5
139.07556	0.5
140.04669	32.7
140.08157	1.1
141.05124	0.7
142.03473	0.8
142.06126	0.5
146.99591	0.5
147.04395	3.9
147.08064	1.1
147.11661	0.9
155.07022	26.9
158.41696	0.4
160.04546	1.4
165.05495	1.1
165.07224	0.6
165.09108	3.0
165.11348	0.4
165.12724	0.5
166.08594	3.9
166.09773	1.1
168.07297	0.6
168.09337	0.6
173.08063	0.8
177.00703	0.5
183.04897	0.5
183.06548	9.7
183.08331	0.7
183.08719	0.6
183.10040	2.9
183.11337	1.1
183.12598	0.8
183.13715	0.5
186.30566	0.4
197.06564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02367	1.3
53.03941	14.0
55.01865	6.7
55.05495	2.6
56.05034	1.5
59.06116	7.9
65.03918	3.4
67.05498	29.9
68.05022	1.0
69.03418	2.0
69.07045	1.1
70.06584	2.0
71.04978	2.0
71.59264	2.1
77.03915	2.6
79.05483	40.0
81.03403	14.1
81.04533	0.9
81.07057	6.7
83.04945	1.6
83.06092	2.4
85.02897	1.2
85.07642	1.5
86.08426	1.9
91.05480	9.7
93.07037	4.9
95.04960	73.9
95.05955	1.8
95.08590	6.9
97.06532	2.3
97.07632	3.2
98.98463	11.0
99.04451	3.3
99.05546	1.9
105.03385	10.2
105.04482	6.6
105.07014	3.3
107.04945	35.5
107.08587	2.1
109.02888	9.3
109.06496	4.9
109.07630	2.5
109.10167	4.9
110.06035	1.8
111.04409	1.5
111.08077	1.6
114.06626	1.0
118.98222	1.1
118.99014	1.2
119.01934	1.7
119.04910	1.6
119.08563	5.7
121.10106	1.3
122.03675	1.0
122.07135	1.4
123.04419	100.0
123.08027	6.1
123.11668	1.7
124.05210	43.2
124.07643	1.4
124.08691	5.0
125.02327	1.0
125.06133	4.6
125.07095	4.1
125.09603	1.9
127.01549	2.6
133.02832	1.0
137.05965	5.8
137.07956	1.5
137.09648	5.0
137.13208	1.0
139.07510	2.4
140.04655	8.6
140.08131	1.4
141.05482	1.4
141.86865	0.9
142.03502	1.4
147.04309	1.0
147.08023	2.1
151.03891	50.4
151.04951	2.5
152.04221	1.8
152.07014	1.5
155.07001	8.4
155.08420	2.5
160.04501	1.9
165.05426	1.2
165.07472	1.2
165.09105	3.0
165.12701	1.4
166.09746	2.3
168.09268	1.7
170.25595	0.9
183.06540	20.7
183.07980	2.2
183.11859	4.7
183.13812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01598	0.4
51.02364	0.6
53.03698	0.6
53.03946	9.9
55.01868	4.3
55.05508	0.6
56.05032	0.6
56.96557	0.4
57.07049	0.5
59.06121	2.2
61.07737	0.4
65.03938	4.6
67.05502	9.4
68.05018	0.6
69.03426	1.0
69.07064	0.8
70.06590	0.8
70.97443	1.1
71.04984	1.2
77.03929	1.4
79.05484	1.6
81.03417	1.9
81.04523	0.6
81.07040	2.3
82.06572	0.7
83.04983	0.9
83.06091	0.9
85.02905	1.0
85.06551	0.7
86.08433	0.6
91.05473	1.4
93.03387	0.8
93.07044	2.2
95.04964	100.0
95.08598	3.1
96.05284	1.6
97.02878	1.6
97.06515	0.6
97.07664	1.3
98.07163	0.6
98.98462	3.9
99.04448	1.5
99.05592	0.8
101.94967	0.6
105.03417	2.6
105.04508	4.6
105.07037	1.3
107.08536	0.5
109.02867	0.4
109.06509	1.3
109.07656	1.4
109.10169	1.4
110.06103	0.4
111.04436	1.3
111.08099	0.6
112.05109	0.4
119.01930	1.3
119.04906	0.7
119.08572	1.9
121.03968	0.5
121.06507	0.4
121.10106	0.8
122.03584	0.4
123.04423	84.5
123.08041	2.5
123.11637	0.7
124.04756	1.0
124.07595	8.9
124.08678	1.3
125.02349	3.8
125.05981	0.7
125.07130	1.2
125.09558	0.7
127.01575	0.8
133.02884	0.8
137.03021	0.5
137.05952	2.9
137.07901	0.5
137.09618	2.3
138.09131	1.0
140.04674	30.4
141.05464	0.5
142.03473	0.8
147.04361	0.7
147.08060	0.9
148.08690	0.5
154.06291	0.4
155.07024	27.2
160.04562	0.5
161.02968	0.4
165.05449	0.5
165.09082	2.7
165.12785	0.4
166.08556	2.2
168.09218	0.5
173.08086	0.4
183.04834	0.6
183.06540	8.9
183.08078	0.6
183.08665	0.4
183.10062	2.6
183.11383	0.8
197.06592	1.1
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
53.03944	1.9
55.01865	2.8
55.05505	3.9
56.96564	13.7
57.03434	4.8
57.07067	3.0
59.04994	3.3
63.80577	1.3
65.03940	2.4
67.05504	6.2
68.05034	1.8
69.03424	14.8
69.07066	9.2
70.89686	1.8
70.90024	2.4
71.04995	2.3
71.95264	2.7
79.05485	14.3
81.03407	1.7
81.07049	7.4
83.04966	6.7
83.06127	1.1
83.08670	1.3
85.06547	1.6
91.05480	10.5
93.07038	20.7
95.04966	9.0
95.06066	1.2
95.08614	4.9
97.06512	10.2
97.85974	1.1
98.97577	81.6
99.05541	1.7
103.05443	3.8
105.07026	12.2
107.04941	5.7
107.08586	24.1
109.06524	2.3
109.10139	7.0
111.04426	2.8
111.08111	1.6
116.98614	100.0
117.07030	7.5
119.04911	2.1
119.08606	6.4
121.06494	13.2
121.10136	39.0
122.07201	4.9
123.05558	1.3
123.08062	4.5
124.08714	1.2
125.05968	4.5
130.07811	3.2
134.99655	95.9
135.08032	4.3
135.11679	16.5
135.99962	1.2
136.07590	3.1
136.08626	1.2
137.05966	3.0
137.09583	12.5
137.10442	1.3
138.06728	1.1
139.07608	1.5
139.11118	2.1
140.00163	5.7
140.08159	2.0
143.08632	1.3
145.10109	35.3
146.10577	1.3
149.05978	4.9
153.00700	19.0
153.01875	1.4
158.01248	13.3
163.03918	2.7
163.07555	2.3
163.11172	49.9
163.14819	1.7
164.07004	2.4
164.08290	2.0
166.06265	1.6
168.87231	1.0
176.02335	2.8
181.04951	4.9
181.06306	1.2
181.08626	10.7
181.10098	1.2
181.10818	2.4
181.12202	12.4
181.64430	2.1
182.04465	1.0
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
53.03940	1.4
55.05503	2.3
56.96557	8.2
57.06787	1.8
57.07071	30.6
59.04996	3.5
67.05489	2.1
69.03434	1.5
69.07063	3.9
71.09263	2.2
71.09603	2.6
76.06728	1.3
77.61281	1.3
79.05496	11.7
81.03406	5.3
81.07059	5.1
83.04977	60.3
85.06520	1.5
91.05475	4.1
93.07034	6.2
94.69787	1.4
95.04964	16.9
97.06523	35.8
98.97572	31.0
105.07033	4.7
107.04957	3.4
107.08601	9.9
116.98607	45.4
117.07045	2.2
118.05499	1.6
119.08601	3.3
121.06458	3.0
121.10134	13.2
125.05985	96.0
126.06304	1.5
130.07779	1.8
134.99644	54.8
135.08002	1.6
135.11678	5.9
140.00189	8.2
145.03078	1.3
145.10124	9.5
148.08913	1.4
153.00716	12.0
158.01241	16.3
163.03899	1.7
163.11163	100.0
164.11537	2.3
174.54736	1.5
176.02348	4.8
181.02756	1.6
181.04965	2.9
181.06378	1.5
181.10562	2.3
181.12210	41.9
181.15718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.17989	1.7
53.07981	1.5
55.01884	2.4
55.05513	3.1
56.96556	11.9
57.07077	20.0
59.03190	1.6
59.05001	2.4
67.05493	3.8
69.07067	5.0
70.03871	6.4
70.04282	3.3
71.28748	1.6
71.95253	2.0
79.05495	8.6
81.03426	6.6
81.07061	4.3
83.04970	45.6
91.05479	3.1
91.25193	2.0
93.07038	8.0
95.04970	17.2
95.08567	1.6
97.02837	1.9
97.06525	26.1
98.97574	35.8
102.48743	1.9
105.07008	6.0
107.04931	3.2
107.08605	8.4
108.30460	1.5
116.98601	55.5
117.07037	1.6
119.08584	2.9
121.06457	2.3
121.10143	10.0
122.05988	1.8
125.05058	2.4
125.05978	74.2
134.99646	100.0
135.07979	2.7
135.11710	3.9
140.00185	10.8
145.10135	8.4
153.00671	24.4
153.01749	2.5
158.01248	31.6
163.11159	80.0
164.11499	2.9
176.02304	7.8
181.02899	5.7
181.04962	5.5
181.06311	1.9
181.12202	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03931	2.7
55.01857	5.9
55.05511	5.7
56.96562	9.2
57.03416	1.4
57.07073	7.3
59.04950	1.1
59.06095	1.9
65.03924	3.6
67.05508	10.3
69.03410	3.6
69.07050	4.0
69.45901	0.9
69.73291	1.8
69.73586	7.4
71.04959	1.6
71.95238	2.2
79.05489	23.7
81.03403	3.5
81.07051	33.0
82.07352	1.3
83.04975	14.7
83.08597	2.2
85.02883	1.7
85.06519	1.7
91.05470	15.7
93.03410	1.5
93.07034	44.4
95.04962	14.7
95.06013	1.9
95.08598	6.2
97.02871	1.3
97.06505	8.7
97.07629	1.4
98.97575	45.7
103.05408	2.2
105.07020	11.3
106.20351	1.1
107.04951	4.1
107.08587	21.4
109.06509	10.6
109.07629	1.5
109.10088	2.0
111.04464	2.7
111.08007	1.2
116.98612	65.7
117.07034	6.7
119.04903	1.1
119.08573	18.1
121.06509	8.9
121.10131	47.4
121.11017	2.5
122.07135	2.1
123.08055	4.5
125.05980	24.4
127.07550	10.8
130.07755	4.0
133.02785	1.6
133.10156	2.2
134.99652	70.2
135.04384	2.6
135.08049	16.4
135.10677	1.5
135.11681	24.1
136.07584	11.9
136.08578	2.2
137.02351	2.0
137.05954	3.1
137.09564	2.4
138.06650	1.3
139.07521	2.3
139.09741	1.3
139.11140	1.2
140.00154	3.4
140.07030	1.2
140.08139	3.0
143.08574	3.4
145.10107	54.9
149.02342	10.3
149.05995	5.8
151.11186	11.8
153.00702	15.6
153.09149	1.9
154.08621	1.4
158.01266	9.7
163.03923	6.7
163.11165	100.0
164.07057	7.7
164.08218	1.9
164.11476	3.2
176.02255	2.3
179.58916	1.0
181.04947	10.6
181.06364	2.1
181.08609	6.3
181.10852	2.4
181.12210	39.0
181.15791	2.7
181.64291	1.3
188.51662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.90038	0.7
55.01854	1.1
55.05495	2.9
55.77166	1.0
56.05021	1.2
56.96558	9.2
57.07074	28.2
57.07674	0.9
58.06566	1.2
59.04976	3.4
59.06103	1.9
59.12648	0.9
59.30175	1.0
63.76081	0.7
64.67043	0.8
64.71629	0.9
64.98915	0.8
67.05482	2.3
68.04999	1.6
69.03411	1.6
69.07078	4.5
70.06593	1.8
70.88503	1.8
70.88848	2.2
71.05000	1.1
71.95250	2.4
72.08129	0.9
75.05206	0.9
79.05492	10.1
81.03407	5.8
81.07071	4.7
83.04980	61.0
85.06511	1.2
86.55721	1.0
90.47385	0.8
91.05461	1.7
93.07034	6.8
95.04965	18.3
97.06527	34.7
97.07571	1.9
97.62369	0.9
98.07196	1.4
98.97580	32.2
99.05560	3.9
105.07021	4.5
107.04968	1.8
107.08599	9.1
109.07615	1.1
111.07932	1.1
111.09161	1.1
116.98615	48.4
117.06991	1.1
119.08546	2.2
121.06461	2.9
121.10151	11.8
122.07095	2.1
123.07989	1.8
123.09193	1.2
125.05988	95.1
126.06306	1.4
130.07813	2.0
134.99654	90.7
135.11688	4.8
137.00110	0.9
138.10231	1.8
139.09744	2.2
139.12408	1.0
140.00208	7.1
140.08160	1.6
140.11729	1.8
144.94376	1.0
145.10129	9.1
153.00706	25.8
158.01259	29.7
163.11174	100.0
164.11623	2.6
176.02278	4.9
181.02811	5.4
181.10805	4.1
181.12218	41.4
181.14507	3.2
182.12579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
53.03932	1.3
54.98640	0.8
55.01860	2.2
55.05505	1.8
56.96563	11.8
57.03410	0.8
57.07058	2.0
57.28212	0.7
58.71780	0.6
59.05026	0.5
65.03940	3.2
67.05504	2.4
69.03419	1.3
69.07083	1.5
69.54586	1.3
69.54984	4.8
70.78344	0.5
71.04975	1.3
71.95272	1.0
75.04481	0.7
77.03916	0.9
78.04720	0.7
79.05481	5.0
80.22771	0.5
80.45371	0.6
81.03416	1.5
81.07063	3.5
82.04198	1.0
83.04990	3.6
83.08646	0.6
91.05479	8.2
92.02633	1.8
93.03413	1.0
93.07050	10.6
95.04976	8.0
95.06126	0.6
95.08608	1.8
97.02908	0.6
97.06528	3.7
98.97579	45.5
103.05466	9.7
105.03400	1.0
105.04517	0.8
105.07022	2.3
106.04169	0.7
107.02556	0.6
107.04983	2.0
107.08604	6.2
108.02064	1.1
109.02853	0.7
109.06509	1.5
109.10183	1.6
110.03650	2.4
111.04444	2.0
111.08037	0.8
113.03457	2.1
116.98617	69.3
117.06993	0.8
119.04932	12.7
119.08564	1.5
121.02895	1.5
121.06509	10.4
121.10144	9.9
122.07201	0.7
123.00833	0.7
123.04440	0.9
123.08058	1.3
125.02346	2.4
125.05974	7.0
127.03967	0.6
131.04932	2.6
132.05168	0.9
134.99655	94.0
135.04408	2.6
135.08069	2.3
135.11739	3.4
136.00037	0.7
136.05206	0.7
137.02336	80.0
137.05875	2.9
137.09615	0.7
138.03175	5.1
139.11172	0.6
140.00191	5.9
145.10124	2.5
146.15927	0.7
149.02342	0.9
149.06042	3.9
150.05998	1.8
151.00284	0.9
152.06207	0.8
153.00694	23.7
153.01840	25.4
153.05453	1.6
153.09090	1.0
155.05269	0.9
158.01253	16.7
158.04836	0.8
163.03889	2.5
163.07555	1.4
163.11185	9.0
164.05751	2.3
164.07033	0.9
165.01839	2.3
166.02617	31.0
169.05006	5.0
169.55064	1.3
176.02342	4.2
177.00615	0.6
178.05554	0.9
179.05574	0.8
180.55844	0.9
181.04961	100.0
181.06413	8.1
181.08240	4.1
181.12186	8.0
181.15857	1.0
182.05357	2.6
184.03688	5.7
197.06583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
51.02367	0.8
53.03933	1.7
53.47189	0.9
55.01865	5.1
55.05489	2.7
56.05039	0.7
56.96289	1.0
56.96555	13.0
57.03427	2.3
57.07057	1.5
58.12517	0.8
58.22754	0.8
59.06112	2.0
65.03943	4.3
67.05495	5.3
68.05006	1.8
69.03432	4.0
69.04525	0.9
69.07043	3.1
70.06577	1.2
70.56786	3.0
71.04989	4.5
71.95242	1.7
79.05486	10.2
79.34992	0.8
81.03378	2.3
81.04527	1.4
81.07040	8.4
82.04160	0.8
83.04980	3.8
83.06078	2.2
83.08614	1.0
85.02865	0.9
85.06532	1.7
91.05466	6.7
92.02608	1.8
93.03419	1.1
93.07034	18.7
95.04957	6.2
95.06051	1.2
95.08585	4.6
97.02878	1.1
97.06525	4.0
97.07638	1.6
97.10151	0.8
98.07139	1.1
98.97571	58.9
99.04379	1.0
99.05556	1.6
103.05452	2.4
105.04502	1.0
105.07008	4.9
107.04938	4.6
107.08564	8.6
108.02102	0.9
109.02868	1.8
109.06536	4.4
109.07606	0.8
109.10141	3.0
110.03635	3.0
110.07119	1.6
111.04423	3.4
111.08063	3.3
116.98603	76.5
117.07020	1.9
119.04954	0.9
119.08547	3.5
121.02850	2.4
121.06480	7.8
121.10120	25.2
122.07104	4.3
123.04451	1.6
123.05515	2.4
123.08028	3.3
123.11708	1.8
125.02291	2.1
125.05968	5.5
125.06952	1.2
127.03905	1.3
134.99640	94.2
135.04382	2.7
135.08064	5.6
135.11653	7.3
136.07550	3.5
136.08624	1.9
137.02319	71.7
137.05899	2.3
137.06984	0.8
137.09619	2.3
138.03133	5.2
138.06665	1.0
138.10245	1.3
139.03842	0.8
139.06535	1.2
139.07513	1.8
139.09767	1.4
139.11157	3.2
140.00209	2.8
140.08185	2.8
145.10078	8.2
149.02386	1.0
149.05946	5.9
152.43263	0.9
153.00673	23.4
153.01820	20.7
153.05391	2.0
153.09044	1.0
158.01230	13.2
163.03886	3.2
163.07552	2.7
163.09833	0.9
163.11150	19.2
164.07002	3.1
164.08206	2.0
164.11697	1.1
165.01836	1.8
166.02592	31.9
176.02325	2.5
181.04935	100.0
181.10777	3.5
181.12177	17.9
181.15857	1.5
182.05429	1.2
182.08125	0.8
184.03658	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	180.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97832	0.1
54.98655	0.4
55.05510	0.1
55.95781	0.1
56.96559	12.3
57.03425	0.1
57.07061	0.2
57.97359	0.2
58.99849	0.2
60.95834	0.1
67.05480	0.1
69.03448	0.1
69.07080	0.1
71.58401	0.1
71.58770	0.1
71.95259	1.5
74.18446	0.0
74.97580	0.3
75.98407	0.2
77.00882	0.3
79.05479	0.1
80.05001	0.1
81.03423	0.1
81.07056	0.1
82.01421	0.8
82.01850	0.1
83.04947	0.1
83.99986	0.0
85.02902	0.1
91.05476	0.1
95.01961	0.1
97.02870	0.1
97.67909	0.0
97.99171	0.2
98.97572	31.9
100.02469	6.8
101.00835	0.1
101.02561	0.4
101.97246	0.1
102.00974	0.1
102.02277	0.1
102.96825	0.1
103.02430	0.1
105.02200	0.1
106.06534	0.1
108.04431	0.2
109.06504	0.1
113.58698	0.1
115.02390	0.1
116.00240	0.4
116.01219	0.1
116.01939	0.6
116.52981	0.1
116.98606	55.1
117.99065	0.1
118.03503	5.5
118.98993	0.1
119.01902	0.9
119.03616	0.3
120.01992	2.3
120.97865	0.4
121.01665	0.6
121.03417	0.1
123.04022	0.4
123.95886	0.1
124.97544	0.2
127.47814	0.2
131.00130	0.1
131.01903	0.1
131.03633	0.0
131.05617	0.3
132.05093	0.1
132.96419	0.4
133.03482	0.2
133.10097	0.1
133.96178	0.1
133.98071	0.7
134.01268	0.4
134.02959	5.3
134.48100	0.1
134.99638	100.0
135.46768	0.1
136.00168	0.1
136.04541	0.1
136.48354	0.6
137.00052	0.5
137.02937	0.4
137.05881	0.0
137.50006	0.2
138.00133	0.1
138.03026	1.3
138.49792	0.1
138.98929	0.6
139.02509	0.3
139.03566	0.4
140.00168	3.0
141.04994	0.3
141.96942	1.7
142.03484	0.2
142.96779	0.2
142.98616	0.2
143.03607	0.2
144.03250	0.1
144.47192	0.2
145.48875	2.3
145.58488	0.4
145.98935	0.2
146.48775	0.1
146.99576	0.1
147.99174	0.3
148.04730	0.1
149.01215	0.3
149.02937	0.1
149.06602	0.4
150.97472	0.5
151.04494	0.1
151.97202	0.1
152.02171	0.1
152.02710	0.1
152.03986	1.3
152.06998	0.1
153.00690	27.0
153.47720	0.4
153.97873	0.1
154.49426	0.5
154.59071	1.2
154.99384	0.1
155.01053	0.2
155.09239	0.1
156.05013	0.1
156.50725	0.1
156.96530	0.2
156.99678	0.5
157.01695	0.1
157.03409	0.6
157.04541	3.1
157.09325	0.3
157.59468	0.1
158.01234	12.4
159.01588	0.2
160.04607	0.1
161.09644	0.1
161.96954	0.1
162.00591	0.1
162.03081	0.6
162.04356	0.2
162.09062	0.1
162.48268	0.1
162.97491	0.1
163.02695	0.2
163.59592	0.1
164.98428	0.1
165.52263	0.1
166.00189	0.1
166.09842	0.3
166.60187	0.1
167.02333	0.1
168.50433	0.1
168.60167	0.1
171.01726	0.2
172.04361	0.1
172.94333	0.1
174.04498	0.1
174.93793	0.1
174.97438	0.5
174.98860	0.1
175.01015	0.1
175.02692	0.4
175.04430	0.5
175.05736	0.3
175.08023	0.1
176.02295	2.5
176.03986	0.2
177.00844	0.1
179.98044	1.5
180.04057	1.1
180.06364	0.2
180.98119	0.1
181.02693	0.6
190.07469	0.1
190.95245	0.1
192.94904	0.2
197.99141	3.5
198.06046	0.1
198.99237	0.2
199.03902	0.1
199.05768	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	3.3
55.01867	6.6
55.05506	13.9
56.96553	3.9
57.03437	6.5
57.07078	7.7
59.04982	3.4
65.03945	2.3
67.05504	30.5
68.05002	1.6
69.03425	6.1
69.07066	20.9
70.85272	4.2
71.04979	4.5
71.08615	5.7
77.03945	1.2
79.05481	9.7
81.03391	1.6
81.04527	1.4
81.07047	24.0
83.04979	32.4
83.06059	1.7
83.08627	6.3
85.06539	7.5
91.05477	20.9
93.07043	21.6
95.04967	21.0
95.06068	4.1
95.08604	94.3
97.06541	2.0
97.07645	1.5
97.10140	2.6
103.05452	1.1
105.03358	2.4
105.07027	27.0
107.04922	1.8
107.08595	36.1
108.04476	2.2
109.06512	22.5
109.10147	45.1
110.07139	1.8
111.08081	2.8
117.04506	1.3
117.06983	1.9
119.04921	12.8
119.08580	26.3
121.03971	1.5
121.06472	3.6
121.10136	34.1
121.52090	1.2
123.04416	4.6
123.08059	46.2
123.11687	6.4
131.08508	1.7
133.02823	1.6
133.06528	9.0
133.07381	1.7
133.10127	23.3
134.07072	2.0
135.08055	2.8
135.11696	22.6
136.05173	1.8
136.08720	1.9
137.05991	11.0
137.07002	1.4
137.07326	1.3
137.08307	7.2
137.09596	21.0
137.13232	5.4
138.05486	1.6
138.06558	2.2
139.58368	1.3
146.03607	2.0
147.04401	14.8
147.22450	1.2
151.03949	2.8
151.07532	1.7
151.11154	4.2
151.13637	2.6
151.14807	39.4
152.08200	1.8
161.05966	9.5
161.09599	10.5
161.13246	27.3
162.06567	1.2
179.03423	15.1
179.07063	21.5
179.09175	5.3
179.10667	26.1
179.14297	100.0
180.14629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03929	5.5
55.01862	18.2
55.05504	22.5
56.96568	18.0
57.03436	20.5
57.07064	7.7
59.05000	3.5
60.58141	3.1
65.03929	4.6
67.05502	30.5
69.03410	9.3
69.07059	18.4
69.50391	26.7
71.04996	3.9
72.04517	3.8
79.05489	24.4
81.03389	3.9
81.07056	76.6
83.04966	9.9
83.08601	7.5
85.06519	4.6
91.05481	38.0
93.07030	48.3
95.04939	10.1
95.06069	3.7
95.08601	81.3
96.57124	3.4
97.06497	8.8
97.96784	3.8
98.20770	6.4
98.97572	2.9
105.07024	54.6
107.08581	64.9
108.04480	3.7
109.02856	3.6
109.06515	53.0
109.09454	5.2
109.10153	62.9
110.07162	4.6
111.08066	4.8
118.04185	3.1
119.04938	37.5
119.08564	35.2
120.05488	3.0
121.06479	3.4
121.09310	5.3
121.10139	65.5
122.10452	3.4
123.04383	8.9
123.08067	30.2
123.11691	41.0
125.09621	21.9
126.02560	6.2
126.49727	2.8
133.02853	4.6
133.06462	9.9
133.10120	49.0
134.07010	3.2
135.11697	30.0
136.05194	5.3
137.05972	26.1
137.06996	3.6
137.08197	15.5
137.09579	9.8
137.13301	16.4
146.03571	3.5
147.04401	62.2
151.07477	6.0
151.11177	5.8
161.05991	21.4
161.09601	8.5
161.13252	73.4
164.04668	5.0
179.03394	40.2
179.07092	66.5
179.09265	6.0
179.10638	28.3
179.14294	100.0
179.17871	11.9
182.25900	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	179.1064
Annotation	Pygmaein
Peak:m/z	Relative Intensity
50.47661	0.3
53.03961	0.9
55.01863	10.8
55.05512	2.4
56.05051	0.5
56.96564	1.3
57.03426	0.6
57.07093	0.3
65.03957	0.6
67.05499	2.3
68.05037	0.7
69.03429	2.2
69.07065	0.6
71.05006	0.5
71.59405	0.4
77.03917	0.3
79.05487	5.6
80.05022	0.3
81.03419	0.8
81.04560	0.4
81.07050	27.2
83.04993	1.7
83.06101	0.8
85.06577	0.3
89.03940	0.3
91.05474	7.4
93.07029	3.5
95.04967	6.2
95.06058	1.5
95.08601	2.0
96.05560	0.3
97.04015	0.4
97.06536	0.7
103.05470	0.9
105.03396	0.9
105.07021	9.9
106.06602	0.4
106.07330	0.3
107.04944	0.5
107.06078	0.4
107.08582	3.7
108.04495	0.5
108.05647	0.4
109.02879	0.3
109.06506	12.8
109.07639	0.6
109.10151	2.2
110.01283	0.4
110.07216	0.5
111.04443	5.0
111.05547	0.3
115.05471	1.2
117.01989	0.4
117.07012	2.0
119.01786	0.4
119.04931	5.1
119.08575	3.0
120.05634	0.6
121.06501	2.2
121.10149	1.0
123.04424	2.0
123.08034	1.8
123.11742	0.6
125.05998	0.6
128.06216	1.3
131.04898	1.0
131.08559	1.0
133.02846	1.0
133.06485	4.0
133.07454	0.5
133.10126	9.0
133.53848	0.3
134.06020	0.3
134.07063	0.4
134.10489	0.4
135.04451	0.4
135.08046	7.9
135.11691	0.7
136.05226	0.5
136.08708	0.5
137.05966	100.0
137.09471	2.8
137.53358	0.4
138.06326	2.8
143.08533	2.9
146.03601	0.7
146.07220	0.8
147.04404	6.6
149.05956	0.6
151.03870	1.1
151.07520	1.5
151.11140	1.9
151.14769	0.7
152.07010	0.4
152.08176	0.5
161.05968	4.0
161.09599	8.6
161.13235	0.9
162.06548	0.5
162.10133	0.3
163.58662	0.3
179.03389	8.2
179.07091	6.4
179.09270	1.2
179.10640	13.9
179.14142	1.6
180.11046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76040	0.2
53.03937	0.6
55.01863	2.8
55.05495	0.5
56.05007	0.6
56.96553	1.7
57.03416	0.7
59.06108	0.3
64.65813	0.3
65.03952	0.5
67.05492	1.4
68.05003	0.8
69.03410	0.8
69.04523	0.4
69.07044	0.6
70.06568	0.4
71.01325	0.3
71.04993	0.5
71.31123	0.5
71.31471	0.3
73.02897	0.5
77.03918	1.8
79.05508	1.7
81.03397	0.8
81.04528	0.9
81.07041	1.8
83.04977	0.6
83.06107	1.2
85.02901	0.9
87.04440	0.3
89.03914	3.5
91.05474	6.8
93.07044	1.8
95.04961	3.2
95.06094	2.2
95.08621	1.4
96.05646	0.4
97.06458	0.4
97.07653	0.4
97.96806	0.4
98.97589	0.5
99.04397	0.4
105.03392	4.7
105.07027	5.1
107.04984	1.7
107.08559	1.4
108.05672	0.6
109.02858	0.8
109.06508	1.4
109.07646	0.7
109.10149	0.9
110.01313	0.5
110.07147	1.0
116.98608	0.5
117.03368	2.3
117.07018	0.5
119.01816	0.6
119.04929	5.7
119.08575	3.1
120.02023	0.4
120.05573	1.0
121.06480	1.4
121.07623	0.6
121.10130	0.7
121.52075	0.3
122.07137	0.6
123.04425	11.6
123.08051	1.1
124.04742	0.3
126.02575	0.6
128.52837	0.4
130.52580	0.5
131.08549	0.4
133.02847	27.2
133.06447	3.0
133.10121	5.0
134.07150	0.5
135.03094	0.4
135.03293	0.5
135.04416	5.0
135.08029	1.3
135.11644	0.5
136.05133	0.6
136.08661	0.5
137.05984	2.9
137.07018	0.3
137.07204	0.4
137.08208	3.9
137.09558	1.7
137.53398	0.5
138.06602	0.7
139.53059	0.3
143.08553	0.4
146.03661	0.4
146.53847	0.8
146.99686	0.4
147.04405	8.3
150.10239	0.4
151.03944	2.1
151.07562	1.4
151.11102	0.4
152.07056	0.3
152.08162	0.9
152.11803	0.4
155.54213	0.4
161.02350	1.8
161.05966	3.8
161.08276	0.5
161.09607	2.0
161.13261	0.6
162.06593	0.5
162.10237	0.4
174.00771	0.4
179.03387	100.0
179.06956	9.3
179.09251	2.7
179.10417	3.7
179.12851	1.0
179.14326	1.2
180.03761	2.1
181.86507	0.3
198.35503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02384	0.5
52.86714	0.2
53.03942	0.6
55.01869	1.5
55.05500	0.4
56.96561	1.3
57.03435	0.3
65.03923	0.3
67.05503	1.1
68.05023	0.4
69.03420	0.4
69.04539	0.3
69.86634	1.3
70.44356	0.2
71.04971	0.5
73.02917	0.2
74.93647	0.2
77.03928	0.7
79.05487	1.2
81.03420	0.6
81.07062	1.2
82.53099	0.2
83.04951	0.7
83.06085	0.4
85.02901	0.5
89.03918	1.8
91.05476	4.1
93.07044	0.9
95.04964	2.1
95.06090	0.8
95.08614	1.1
97.04046	0.2
97.07593	0.2
98.20894	0.3
98.97586	0.5
103.05412	0.4
105.03400	2.6
105.07025	3.2
107.04948	0.6
107.08612	1.2
109.02870	0.6
109.06519	1.3
109.07622	0.2
109.10166	0.7
110.01228	0.3
110.07167	0.4
115.05458	0.3
115.97769	0.2
116.00209	0.2
117.01983	0.2
117.03383	0.9
117.07042	0.2
119.01780	0.6
119.04947	3.1
119.08581	1.9
120.05622	0.5
121.06477	0.6
121.10118	0.7
123.04424	28.8
123.08068	0.7
124.04760	0.5
124.65747	0.2
126.02589	0.5
128.06160	0.2
130.52544	0.2
131.08572	0.2
133.02846	23.7
133.06451	1.1
133.10136	2.9
134.03194	0.4
134.07088	0.4
135.03326	0.4
135.04410	4.1
135.08034	0.6
135.11671	0.3
136.05206	0.3
136.08667	0.2
137.05965	2.2
137.08266	1.5
137.09610	2.3
137.53331	0.4
138.06578	0.3
146.03638	0.4
146.07248	0.3
146.53943	0.3
146.99702	0.2
147.04407	4.8
149.05875	0.2
151.03908	7.3
151.07547	0.7
151.11176	0.9
152.07011	0.2
157.05341	0.2
161.02348	0.3
161.05972	1.6
161.08310	0.4
161.09586	1.6
161.13243	0.9
162.06593	0.3
162.10117	0.2
174.00688	0.3
179.03387	100.0
179.10542	2.8
179.14307	0.6
180.03679	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0861
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
53.04039	0.4
55.01711	0.6
55.01974	0.9
55.05576	0.6
56.96353	0.4
56.96659	1.9
57.03508	0.6
65.04021	0.4
66.03264	0.3
67.05571	0.6
68.05103	0.4
69.03501	0.5
71.26332	0.5
71.26669	0.5
73.02994	0.5
79.05587	1.4
81.03523	0.9
81.04602	0.6
81.07159	0.9
83.06152	0.7
85.02956	0.6
86.03748	0.4
88.02319	0.9
90.04315	0.7
91.04949	0.6
91.05476	4.0
92.05892	0.7
93.07123	1.4
94.06625	0.3
95.05058	1.7
95.06201	0.9
95.08682	0.8
96.05760	0.3
97.99213	0.4
98.07252	0.6
98.97668	0.9
98.98480	0.3
102.11488	0.3
103.05503	0.5
105.02195	0.3
105.07015	3.7
106.06615	0.5
106.07397	0.3
107.05068	0.5
107.08678	1.0
108.08981	0.4
109.02965	1.1
109.06545	0.6
109.10212	0.6
110.01359	0.8
110.07240	1.1
115.05438	5.2
116.05019	0.6
116.98657	0.5
117.02149	0.6
117.03418	0.7
117.05766	2.6
117.07095	0.6
118.04305	1.7
118.06538	8.1
119.01900	0.8
119.04917	2.6
119.08655	1.2
120.08153	1.3
121.02909	0.3
121.06485	2.0
121.10207	0.3
121.52085	0.6
122.06963	0.6
122.10524	0.8
123.04474	1.1
126.02632	1.0
128.52908	0.3
128.98680	0.4
130.52625	0.8
131.05034	0.6
132.04443	19.6
132.05519	0.7
132.08080	34.2
133.02898	0.9
133.04866	0.4
133.06488	3.1
133.08511	0.6
133.10081	1.4
133.98929	0.4
134.07178	0.4
134.99677	0.5
135.03102	0.6
135.04283	0.5
135.08064	0.5
136.05154	0.6
136.08635	0.4
137.06033	1.3
137.08238	2.8
137.09535	1.9
137.53403	0.5
138.08998	0.4
139.07545	0.3
139.53122	0.3
140.04930	0.7
142.06505	9.0
146.03644	6.6
146.53893	1.3
146.99695	0.6
147.04428	3.6
149.06004	0.7
150.02675	0.4
150.05339	0.4
150.06349	3.8
150.09149	0.8
151.03902	1.3
151.07597	0.5
151.09877	0.7
151.11110	0.4
152.08189	0.4
154.05013	0.4
160.07562	100.0
161.05977	4.3
161.07945	2.7
161.09547	0.8
163.03816	1.4
163.06216	1.5
173.38672	0.3
178.04906	1.7
178.06319	4.5
178.08572	15.2
178.10829	3.1
178.13261	0.6
178.16768	0.4
179.03381	5.1
179.07098	4.5
179.09093	1.0
179.10472	1.6
179.14311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.7
55.05493	2.2
57.03428	1.0
57.07057	0.4
63.25888	0.4
65.03959	0.6
67.05499	1.5
69.03426	17.3
69.07064	3.7
69.28671	0.5
69.66409	3.5
71.04976	1.7
78.04700	0.7
79.05495	2.7
81.03406	1.2
81.07039	2.1
83.04974	9.0
83.08603	0.8
85.02865	0.5
87.05589	1.1
89.03912	6.2
91.05470	6.5
92.05800	0.5
93.06456	0.9
93.07037	12.0
95.04958	2.3
95.05999	0.5
95.08602	2.1
97.06486	0.9
98.21471	0.9
98.98461	2.1
103.05461	2.3
105.07026	6.7
106.04163	0.8
107.04952	3.0
107.08594	12.6
109.06493	1.3
116.98611	1.1
117.03377	11.1
117.07003	4.5
119.04974	0.5
119.08569	8.8
121.02850	0.4
121.06492	10.2
121.07351	0.6
121.10136	5.6
127.74900	0.4
129.07027	2.5
130.07718	0.7
131.04929	1.2
131.08571	7.8
132.08865	0.5
133.06473	1.7
133.10118	5.1
134.03624	2.2
134.07214	0.6
134.99638	0.9
135.04442	0.6
135.08049	8.1
135.11682	6.3
136.08670	0.6
137.09485	0.9
141.11458	1.4
144.09341	5.4
145.02837	16.2
145.06491	0.6
147.08017	2.8
149.02324	2.7
149.05965	9.6
149.09596	1.5
149.13283	2.8
157.10104	1.1
159.08052	0.8
159.11685	19.6
160.07581	1.1
160.12030	1.0
161.09630	0.8
162.03098	1.6
162.10393	4.7
177.05472	13.7
177.09392	3.7
177.12738	100.0
178.08627	1.7
178.10922	0.9
178.13089	3.7
183.78433	0.5
186.05518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03912	1.5
55.05508	13.2
57.07067	2.4
60.80353	1.0
67.05503	8.9
69.06725	1.8
69.07070	27.1
70.78688	3.1
71.08607	0.8
76.98684	0.9
79.05488	21.8
81.06580	1.4
81.07056	24.6
83.08617	17.8
83.82347	0.9
89.03922	4.7
91.05469	8.1
93.07042	42.4
94.67802	0.8
95.04969	2.0
95.08605	55.9
96.08931	1.4
97.10160	3.2
98.98452	4.1
103.05489	1.2
105.07026	5.9
106.04175	3.0
107.08593	65.6
109.06504	1.9
109.10147	19.3
111.27157	0.9
117.03383	8.8
117.06966	1.1
119.08564	2.0
121.06468	3.6
121.10139	75.4
122.10455	1.1
131.08501	1.7
133.07576	0.9
133.10110	0.9
134.03580	1.3
135.08099	0.9
135.11691	22.4
145.02849	9.8
146.05144	0.8
147.11676	1.0
148.48117	1.0
149.02309	3.6
149.05954	6.1
149.13268	9.9
159.11690	1.0
162.03094	1.4
164.55162	0.8
177.05472	12.5
177.06911	1.5
177.09096	3.5
177.12801	2.5
177.16382	100.0
178.08591	1.4
178.16690	2.0
186.91219	1.0
199.44595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01865	0.3
55.05495	0.7
66.27274	0.2
67.05492	0.5
69.03410	0.3
69.07059	1.4
71.60297	0.4
78.04708	0.6
79.05482	1.2
81.07057	1.6
83.08614	0.6
83.71010	0.2
89.03909	2.1
91.05466	4.0
93.07050	2.8
95.04958	0.6
95.08598	2.3
98.98441	0.7
103.05430	0.9
105.07007	1.7
106.04146	0.9
106.07805	0.5
107.04971	0.5
107.08594	4.0
109.06512	0.5
109.10135	1.0
115.05447	3.1
116.06243	1.9
117.03368	3.2
117.07009	10.9
118.07339	0.3
119.04918	1.2
119.08561	0.6
120.05745	0.5
121.06493	2.4
121.10130	4.9
129.06987	0.4
131.04938	0.5
131.08533	0.8
133.06499	2.3
134.03632	0.6
134.07266	3.2
134.97983	0.2
135.04433	0.6
135.08034	1.6
135.11700	1.2
144.05708	1.5
145.02835	4.7
145.06471	1.9
146.03168	0.3
147.04359	0.6
147.08017	0.3
149.02310	0.6
149.05962	2.9
149.09613	1.4
159.07990	0.6
159.11659	0.5
161.05925	1.4
162.03151	0.5
162.06752	11.9
175.07455	0.3
177.05548	3.1
177.09096	100.0
177.16338	3.3
178.09552	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01852	2.0
55.05507	2.2
57.03419	1.0
57.07051	0.6
65.03922	0.7
67.05486	1.5
69.03424	15.6
69.07057	3.7
71.04982	1.2
71.57594	0.8
78.04693	0.5
79.05479	2.7
81.03396	1.2
81.07050	2.5
83.04970	7.2
83.08600	0.6
85.06507	0.6
87.05613	0.9
89.03907	8.8
91.05475	6.8
91.58098	0.7
93.07040	10.2
95.04951	1.7
95.08602	2.1
97.06499	0.6
98.97546	0.6
98.98441	2.2
103.05445	1.8
105.07025	7.8
106.04152	1.0
107.04941	1.7
107.08579	11.2
108.08920	0.6
109.06513	1.5
109.10130	0.6
115.05454	0.6
116.06221	0.5
116.98594	0.6
117.03368	13.8
117.07011	4.6
118.03709	0.8
119.04906	0.5
119.08560	7.4
121.06496	10.9
121.10125	6.7
122.05992	0.5
125.65386	0.5
129.06976	1.8
130.07788	0.5
131.04892	1.1
131.08545	6.8
133.06485	1.3
133.10133	5.2
134.03627	2.5
134.07204	0.8
134.99655	0.9
135.04402	1.8
135.08049	8.0
135.11676	5.9
136.08585	0.5
137.09406	0.6
141.32486	0.5
144.09329	5.2
145.02832	21.5
146.03227	0.7
147.08032	2.9
149.02324	2.8
149.05969	11.9
149.09569	1.4
149.13206	2.2
157.10179	0.6
158.06073	0.4
159.11671	17.4
160.07516	0.6
160.08748	0.9
162.03134	2.2
162.10358	4.4
163.03893	1.0
163.06090	0.5
177.05452	14.7
177.09305	4.7
177.12729	100.0
178.05936	0.7
178.08569	0.9
178.10867	0.8
178.13081	3.7
186.05548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	0.9
55.28991	0.5
56.96553	2.0
57.03429	0.6
59.04983	0.6
59.06124	0.7
63.02366	1.3
65.03918	0.8
65.75150	0.7
69.03434	1.3
69.07075	0.8
70.99346	1.2
70.99718	1.3
71.04979	0.8
75.04505	0.6
75.69425	0.5
76.17357	0.5
78.04700	2.1
79.05502	1.5
81.03413	4.8
81.03818	0.8
81.07051	0.7
83.06107	0.5
85.02916	1.8
87.05588	3.8
89.03912	40.5
91.05473	3.7
93.07024	2.1
95.04953	1.6
95.08620	1.3
98.97580	6.3
98.98464	1.8
99.04407	0.8
103.05462	2.0
105.03416	0.7
105.07044	1.1
106.04193	2.9
107.04956	1.2
107.08585	1.7
109.02869	1.7
116.98637	8.1
117.03372	68.2
118.03694	1.2
121.02837	0.9
121.06502	1.6
121.10144	2.6
124.05167	0.8
128.98643	0.6
131.04901	0.8
131.08525	1.6
133.10152	0.7
134.03633	7.9
134.99658	6.8
135.04411	6.1
135.11661	0.7
145.02837	100.0
146.03162	2.3
149.02307	2.8
149.05972	25.4
149.09563	0.7
150.06390	1.0
153.00732	0.9
154.03464	0.7
158.06100	0.6
159.04417	0.8
160.07613	1.1
162.03111	2.9
163.03923	3.2
177.05455	40.6
177.09059	2.1
177.11430	0.8
177.12764	1.2
177.16391	1.7
178.08508	0.7
186.05486	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
53.80187	0.4
54.98642	0.6
55.05495	0.5
56.96561	21.1
58.22638	0.4
67.05495	0.7
69.03424	0.5
70.77710	0.8
70.78078	0.8
71.95253	1.8
77.00901	2.0
79.05492	0.6
81.07060	1.0
89.03926	0.8
89.51559	0.8
90.51445	1.0
91.05466	1.0
93.07038	1.1
95.01939	1.9
95.04926	0.4
95.08633	0.5
98.97575	70.3
99.97897	0.5
100.02467	3.0
100.97469	0.5
102.02229	0.5
105.07027	1.9
107.08595	0.9
111.05508	0.5
113.00866	1.6
116.98610	90.5
117.03340	0.7
117.07023	0.7
117.98972	1.1
118.03481	2.1
118.06290	0.8
119.01912	1.3
119.03594	0.4
119.08578	0.8
121.10135	0.7
121.48734	0.5
129.07043	0.5
130.49222	1.7
131.01895	15.6
131.05489	0.4
131.07071	1.5
131.08563	1.5
131.83951	0.5
132.07837	0.8
132.96423	1.1
132.99420	0.8
133.10109	0.5
134.01254	0.4
134.05830	0.4
134.99644	100.0
135.03168	1.3
135.99980	1.1
136.02458	0.5
136.06209	0.5
137.02898	0.5
138.49847	1.3
138.99908	1.7
139.49713	12.5
140.00163	3.3
140.05827	0.6
140.49583	0.5
141.50258	0.6
141.96924	2.8
142.00017	4.1
142.03481	0.5
144.47232	0.8
144.55804	0.5
145.02864	1.2
145.05705	0.7
145.06776	9.0
145.10092	1.9
145.56886	2.3
145.58330	0.4
149.03001	4.6
149.06525	0.7
150.00674	0.8
150.50746	3.0
150.97456	0.7
151.00523	17.8
151.50562	2.4
152.00601	0.6
152.49678	0.5
153.00694	22.8
153.04158	0.8
153.47748	1.4
153.50861	0.8
154.03487	9.5
154.07310	9.1
154.57420	2.5
156.57599	1.3
157.07700	0.6
158.01234	5.5
159.08020	0.7
159.11691	0.5
160.04639	0.4
161.50145	1.0
162.01593	0.5
162.48245	0.5
162.51340	2.2
163.07837	2.1
163.57864	0.6
165.58121	2.0
170.50827	0.5
172.04572	1.6
172.94269	4.1
176.02267	1.4
177.00728	3.3
177.04056	1.9
177.05479	1.1
177.07603	0.6
177.09036	0.7
177.12819	0.6
177.16373	0.5
190.95306	7.9
195.01794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24646	0.6
53.03942	1.6
55.01872	3.9
55.05508	0.8
56.05035	1.1
56.96560	10.5
57.03436	13.3
58.03783	0.7
58.06609	2.1
58.99880	1.2
59.04996	0.8
60.02116	0.8
60.04521	14.4
60.04808	1.1
60.05653	4.2
61.02930	7.1
67.05507	3.0
68.05034	4.5
69.03427	18.5
70.03790	0.7
70.06590	32.1
71.01362	2.1
71.04988	15.5
71.06918	7.5
71.07237	0.8
71.57799	1.1
71.95224	0.8
72.04521	4.6
72.08161	1.4
73.02916	14.2
73.08476	0.8
74.06070	1.0
74.97598	0.8
75.01939	0.7
76.02679	1.3
77.00916	1.8
77.02549	0.7
78.52948	1.2
81.03412	9.2
82.01445	1.0
82.06562	1.2
83.04969	1.1
84.04506	1.0
84.08143	2.1
84.96033	1.2
85.02876	11.4
85.06544	7.5
86.03689	4.9
86.06068	5.3
87.01860	0.8
87.04463	79.0
88.02677	1.6
88.03992	1.3
88.07645	1.8
90.05553	22.2
92.52698	0.8
93.01938	0.7
93.07017	0.7
94.02682	1.5
94.06554	3.3
95.00767	1.0
95.03471	3.6
95.04980	1.1
96.02421	2.4
97.02866	18.2
97.06451	0.8
98.01300	1.1
98.02432	0.7
98.03224	1.1
98.06049	100.0
98.97581	17.4
99.04449	2.9
99.06390	2.1
100.02474	3.2
100.05224	2.5
101.00861	4.6
101.03467	1.3
101.53185	0.9
102.02412	3.3
102.04232	1.5
102.05572	0.7
103.02432	4.1
103.03194	1.8
103.04017	0.6
104.01274	1.9
104.02489	0.8
104.03982	2.2
105.02148	1.1
107.03396	0.7
108.02390	0.9
109.02960	5.4
110.01295	1.4
110.02145	1.0
110.03029	0.8
110.03947	0.9
110.52856	2.0
110.97545	1.3
111.02174	0.8
111.02950	2.8
111.04749	2.1
112.00924	0.7
112.02737	0.6
112.07604	9.8
112.99103	0.8
113.00837	2.2
113.01776	1.7
113.06039	1.4
113.07137	2.7
113.07943	3.3
113.53190	0.9
114.05540	6.4
114.09135	0.9
115.01342	0.8
115.02412	1.8
115.03181	1.7
115.03931	2.8
115.08661	0.9
116.03941	1.6
116.07085	76.1
116.98611	16.1
117.02052	1.2
117.05491	1.6
117.07406	3.2
118.01098	3.2
118.03569	4.1
119.01894	17.9
119.53312	0.7
120.01981	4.4
120.03317	0.7
121.01643	2.7
121.03432	2.7
121.52173	0.8
122.02217	0.8
122.03664	1.1
123.02975	2.0
124.03654	1.1
125.01772	1.3
125.04494	0.9
127.02393	1.1
127.03914	4.6
128.02240	3.3
128.98608	1.6
129.03975	1.0
129.54440	0.8
130.03595	2.6
130.07643	1.1
130.08630	10.6
130.09743	8.1
130.12262	11.6
131.00337	1.0
131.01892	18.6
131.02817	1.2
131.04442	0.8
132.02074	14.8
132.03316	1.2
132.05141	1.0
133.02478	0.6
133.03439	12.5
134.02232	1.1
134.03563	4.9
134.08139	2.1
134.99655	12.5
135.03192	2.4
136.02272	1.0
137.01863	1.4
137.02872	4.7
137.04503	3.4
138.03268	2.3
139.02612	1.1
139.04102	1.9
140.02266	1.2
140.07059	22.0
141.03949	0.8
142.03508	1.8
143.01918	3.4
144.03308	1.1
144.05151	0.8
144.13789	1.4
145.03473	5.9
145.04601	0.8
145.05032	0.9
146.02280	1.2
146.03572	2.4
146.04970	4.2
146.55154	0.8
146.99628	1.9
147.01396	0.9
147.03059	2.5
147.03925	4.2
147.05035	2.9
147.54016	1.6
149.01163	2.5
149.02927	4.8
150.03096	0.8
151.04488	6.4
152.04633	3.5
153.00725	2.0
153.03975	2.1
153.05798	1.1
153.53780	2.0
154.03487	7.7
154.07176	0.7
155.01840	1.6
155.02892	1.1
157.03473	3.0
158.08134	5.8
158.11749	0.8
158.99600	3.3
159.01601	0.7
159.03206	0.7
159.05006	1.7
159.07637	4.3
160.09657	1.5
161.01265	1.5
161.02945	7.3
161.04619	1.5
162.04184	2.0
163.02704	1.0
163.04474	1.6
164.04668	0.9
165.00589	0.8
165.04224	1.2
165.06041	0.8
167.02144	0.8
167.05548	1.5
170.99548	0.7
171.01318	0.9
171.05043	7.7
172.04655	2.1
173.01363	0.6
173.02940	2.7
174.03780	6.7
175.04591	3.5
176.01071	2.8
176.03333	1.9
176.04753	6.4
176.05934	1.8
176.07187	3.0
176.09129	60.5
176.10265	4.8
176.12796	15.0
176.16402	1.8
176.56134	0.8
177.00706	5.9
177.02284	1.1
177.03970	3.4
183.05183	1.1
185.02763	1.0
187.00873	2.0
187.02820	0.7
187.04488	2.8
188.04778	0.7
189.00679	1.9
189.02373	1.5
189.04495	0.8
189.06110	5.2
190.06087	0.9
195.01740	1.1
196.00908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79294	1.3
51.02362	2.6
52.41650	1.4
52.64248	1.1
53.03707	1.6
53.03942	27.8
53.08272	1.2
55.05504	12.4
58.99566	3.6
59.96703	1.2
61.01142	25.1
62.99073	12.1
65.00629	11.2
65.03926	3.9
65.49014	1.4
66.08126	1.1
67.04202	1.3
67.05485	5.5
68.05028	6.4
69.03424	7.7
69.05799	2.7
69.07058	8.3
69.40061	5.9
69.40490	6.7
70.06571	1.4
70.42377	1.2
71.04997	6.0
71.99097	9.5
73.01134	2.8
75.02699	4.3
78.03447	7.1
78.96763	1.6
79.05487	3.2
80.04995	2.9
81.07037	2.8
82.99551	4.0
83.08599	2.1
84.00305	1.5
85.01117	56.4
87.02684	39.2
89.00610	3.0
89.03884	3.9
91.05465	5.8
92.05774	1.5
93.07030	7.4
93.12520	1.3
94.17180	1.2
95.08598	5.6
96.04482	70.8
98.98437	2.7
100.02183	2.7
100.03506	1.4
101.02974	3.7
101.04231	14.1
103.02156	34.2
103.05415	1.4
104.02929	3.4
105.07004	4.1
106.07346	4.9
107.08579	8.7
112.02178	100.0
113.02989	1.9
116.98546	1.5
117.03745	16.4
117.06984	2.1
119.08586	4.7
120.08125	2.6
120.08862	6.3
121.10136	11.4
130.06488	4.8
130.08656	1.6
131.08514	2.3
133.05217	5.5
133.10127	3.4
134.10461	8.0
135.08000	1.8
135.11685	3.4
145.02814	9.2
148.12024	1.9
149.02295	2.3
149.05952	4.3
158.05974	1.8
159.11606	1.4
161.04683	11.1
176.01984	81.9
176.07022	50.4
176.09248	1.7
176.15326	11.8
177.02211	2.2
177.05479	9.1
177.09071	10.5
177.12714	1.9
177.16379	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05259	1.0
55.05505	10.3
55.65075	0.7
57.07070	9.0
58.07385	0.9
67.05499	8.0
69.07064	24.1
69.29842	9.9
69.30163	1.7
73.13010	1.0
79.05497	6.6
81.07049	22.6
83.08617	4.2
85.47913	1.0
91.05473	20.6
93.07023	10.8
95.08041	1.5
95.08599	16.4
98.98411	1.0
103.05431	1.1
104.44946	0.9
105.07024	43.5
106.07316	1.4
107.08590	10.8
117.07011	5.3
119.08575	100.0
120.08828	4.2
121.10143	6.5
131.08566	8.0
132.09261	1.4
133.10123	92.9
134.10512	2.6
145.10129	7.4
145.57355	0.9
146.10846	1.7
147.11696	15.2
159.11771	0.9
160.12419	3.8
173.13324	1.8
175.14812	96.8
176.15176	4.3
193.39624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	0.9
54.25261	0.5
55.05507	8.4
57.07072	0.6
62.01634	0.5
62.87937	0.5
65.03916	0.8
65.17319	0.6
67.05499	5.4
68.13017	0.5
69.07064	14.5
70.06580	0.5
70.89639	1.1
70.89978	0.9
75.09329	0.5
77.03880	0.6
79.05492	5.6
80.47027	0.5
81.07051	27.2
81.73415	0.5
82.07384	0.6
83.08617	3.5
89.03914	0.6
91.05473	19.6
93.07043	10.8
95.04951	0.9
95.08601	25.1
97.02877	0.6
98.98458	6.3
103.05456	1.6
105.07021	53.6
106.07376	1.5
106.13279	0.5
107.08592	13.8
108.08944	0.7
109.10139	1.1
115.05467	1.6
117.07014	5.5
119.04966	2.6
119.08571	82.1
120.08910	1.7
120.33542	0.5
121.10151	2.1
127.57814	0.5
129.06972	1.7
131.08559	7.5
132.09363	1.0
133.10120	66.8
134.10390	1.3
142.07776	1.4
145.10123	5.1
146.10901	2.0
147.04358	1.1
147.08066	1.2
147.11671	17.8
157.10126	1.1
159.11748	0.7
160.05217	1.5
160.12527	2.6
161.04726	1.0
173.13284	1.5
175.03880	0.8
175.07497	6.7
175.11462	3.6
175.14809	100.0
176.07047	4.7
176.15170	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
52.24096	2.5
55.05500	8.2
69.03400	3.1
69.07063	18.9
71.60101	3.1
81.07056	16.6
82.73987	3.3
83.08614	6.1
85.02888	4.0
91.05465	15.9
93.07039	7.1
95.08582	14.1
97.33949	2.8
98.98457	25.8
105.07013	41.8
107.08591	8.6
117.07020	5.1
119.08573	72.3
131.08533	9.7
133.10121	78.8
145.10112	4.9
147.11699	15.6
148.51315	3.5
157.04199	3.5
157.10162	3.7
161.04712	9.6
175.07497	4.4
175.11192	8.4
175.14815	100.0
176.07037	38.2
176.15121	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
53.03948	0.8
55.01872	1.3
55.05504	6.9
56.96537	0.8
57.03427	0.7
57.07070	1.1
59.04980	0.5
62.06057	0.5
65.03940	1.5
67.05506	6.2
69.03423	1.7
69.07063	14.9
70.06583	1.2
71.62862	0.4
71.63305	1.0
73.02839	0.5
79.05485	4.6
81.06576	1.2
81.07053	24.0
83.08617	2.9
84.04506	1.2
85.02904	2.1
85.04809	0.7
87.04450	0.7
87.39254	0.5
89.03919	0.8
91.05475	25.6
92.05817	1.0
93.07034	9.7
95.04972	1.4
95.08601	19.0
97.02882	1.9
98.98460	16.6
98.99116	0.9
103.05448	1.1
104.06256	0.7
105.07024	52.4
106.07339	1.1
107.08590	12.6
109.10151	1.4
115.03973	0.7
115.05428	3.4
116.99558	0.6
117.07014	4.8
119.04937	6.8
119.08572	87.4
120.08910	1.7
121.06485	1.3
121.10114	2.5
127.03915	0.6
128.02319	0.5
128.06259	0.7
129.06969	4.5
130.06523	1.7
131.08551	6.9
132.05673	1.1
132.09149	0.6
133.05225	1.3
133.10120	75.8
134.10460	1.1
135.07883	0.8
139.03836	0.6
142.07755	2.9
145.06482	1.0
145.10121	4.0
146.10869	3.0
147.04391	4.3
147.08015	2.7
147.11679	18.8
148.11926	0.6
157.10126	4.1
157.17807	0.7
160.05183	4.1
160.08855	1.1
160.12434	2.5
161.04684	2.3
173.13246	1.6
175.03882	2.3
175.07530	14.7
175.11275	6.8
175.14810	100.0
175.18834	4.7
176.07018	8.3
176.10675	1.4
176.15175	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	174.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01868	6.4
55.05503	4.2
55.93546	1.1
56.05030	7.2
56.05839	1.8
56.96558	17.5
57.03429	8.3
57.04519	0.9
57.07060	1.8
58.02946	1.0
58.06591	1.8
59.04994	2.1
59.06113	6.5
60.04517	8.9
61.02917	1.8
65.03899	1.2
67.05479	2.9
68.05013	3.1
69.03418	7.7
69.04556	1.0
69.07059	10.8
70.02945	1.3
70.06593	3.7
70.07380	0.8
70.95504	1.1
70.95856	13.8
71.04976	3.0
71.06105	1.7
71.61150	1.2
72.04504	3.9
72.08141	2.2
72.93784	11.9
73.02898	2.4
73.68268	0.8
74.06065	2.3
75.05608	4.0
76.03989	1.2
79.05513	1.4
81.03398	1.4
81.04519	2.4
81.07054	1.9
82.02927	1.8
82.06567	3.2
83.04980	3.6
83.06091	2.9
83.08570	1.3
84.04495	100.0
84.08123	2.3
85.02895	10.3
85.04016	2.3
85.06520	1.3
86.06072	4.9
86.09705	1.8
87.04447	2.7
87.05594	8.9
87.08109	1.1
88.03979	1.6
88.96889	5.0
90.94809	5.6
91.05486	4.7
93.07022	3.9
94.06547	1.6
94.87510	0.8
95.04941	2.1
95.06045	1.0
95.08588	3.5
96.04473	6.0
96.05553	0.8
96.08107	3.1
97.02880	9.5
97.03932	1.3
97.06513	2.4
97.07662	1.3
98.06055	10.3
98.07156	2.3
98.97567	9.5
98.98453	16.8
99.05556	3.7
100.03966	2.7
100.07622	1.9
101.07123	2.2
101.52597	0.9
102.05531	4.1
102.06159	0.9
102.09194	1.1
103.05016	1.5
105.07024	3.7
106.97966	0.9
108.95843	3.6
109.02873	0.8
110.06026	1.6
110.09676	7.4
111.04427	3.4
111.05553	1.8
111.08039	5.9
111.98472	14.5
111.99229	1.1
112.04015	0.8
112.04770	3.2
112.07593	16.0
113.07137	0.8
113.96390	3.0
113.98623	1.5
114.05526	14.5
114.06691	3.8
115.03931	3.8
115.05025	2.2
115.08694	1.3
116.07088	2.1
116.98628	8.8
116.99437	1.5
117.06561	0.8
118.06516	2.2
119.01836	2.4
119.04905	1.3
119.08559	3.3
121.06493	2.3
122.07137	1.5
126.05504	2.1
126.06624	5.7
127.03856	0.8
127.05068	0.8
128.02287	1.3
128.06233	1.3
128.07057	4.8
128.07906	1.0
128.10689	1.7
129.05446	2.2
129.07013	1.8
129.09276	0.9
129.99513	11.4
130.05794	2.2
131.04897	1.0
131.08484	1.2
131.97398	5.0
131.99661	5.7
132.06593	1.8
132.08058	3.4
132.95813	20.3
133.06093	2.1
133.10109	2.5
134.99644	7.9
138.06653	0.9
138.09126	16.4
139.07544	6.1
146.05981	7.1
146.08080	6.4
146.10445	0.9
146.99631	1.0
147.04398	1.7
147.07939	1.2
149.98476	3.1
150.00722	12.4
150.96872	65.6
151.97040	1.6
153.00964	2.4
155.97408	15.7
156.06465	2.2
156.07469	2.9
156.10176	22.2
156.11449	1.3
157.04962	0.9
157.08623	1.3
157.09909	0.9
158.99657	4.8
161.02992	1.1
162.05386	5.4
168.01741	1.3
168.97983	4.1
171.05977	5.6
173.56192	2.1
173.98480	31.0
174.05382	8.0
174.07439	14.7
174.08868	2.6
174.11243	22.2
174.12746	9.5
175.03946	1.1
175.06177	0.9
175.07417	3.9
175.11264	2.6
175.14833	2.1
177.00705	9.0
179.05862	2.1
191.99536	0.8
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
53.03918	0.7
55.01842	0.4
55.05264	0.6
55.05508	10.2
56.05024	0.4
56.96555	1.0
57.03429	0.6
57.07055	1.2
58.43723	0.4
59.04975	1.9
59.06099	0.9
59.15884	0.4
60.04510	0.4
61.56565	0.4
63.61387	0.4
65.03916	0.7
67.05495	3.9
69.03419	1.0
69.07057	1.0
69.87394	2.6
70.06575	0.6
70.95860	0.8
71.04974	0.6
72.08153	0.9
72.93770	3.8
79.05488	1.4
81.03388	0.4
81.07052	3.3
81.25886	0.4
82.06575	0.4
83.04977	11.0
84.08105	0.9
85.02888	0.9
85.06513	1.2
85.08474	0.8
86.06106	0.5
87.04458	0.8
87.05549	0.7
89.02376	0.6
89.06780	0.5
90.94801	2.6
91.05468	5.8
93.07015	1.5
95.04935	0.4
95.08587	1.3
99.04446	1.0
101.06017	6.3
105.07014	7.2
107.08595	0.6
108.95841	1.0
109.06472	0.9
109.10130	1.0
111.03685	0.8
111.04430	10.1
111.09209	0.7
111.98505	0.5
113.02370	0.4
113.06009	1.2
113.07924	1.3
115.05450	1.7
115.08746	0.6
116.06200	1.9
117.07030	4.7
119.08572	11.6
127.07584	2.2
128.06261	0.8
128.07086	1.1
129.05470	5.5
129.06967	6.5
129.99530	0.5
130.07758	1.7
130.08646	0.4
131.08551	45.6
131.99710	0.5
132.08887	0.8
132.95862	1.0
133.10095	2.0
137.09552	0.9
142.07747	0.6
143.08540	13.3
144.09354	6.2
145.06480	1.2
145.10114	24.3
146.05977	1.0
146.08139	0.6
146.10475	0.6
149.27664	0.4
149.94009	0.5
149.96094	1.0
150.96892	2.7
155.07030	9.2
155.97363	0.8
156.09335	1.4
156.11345	0.5
157.10075	0.9
158.10899	26.1
159.11261	1.1
167.97148	1.4
171.11670	1.9
173.05858	1.0
173.08128	16.2
173.13246	100.0
173.98503	1.1
174.05435	0.5
174.07559	0.8
174.13712	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.7
56.05030	5.1
56.76178	0.2
56.96562	2.5
57.03431	0.5
61.02916	0.4
64.20683	0.2
67.05498	0.4
68.36061	0.2
69.03454	0.3
69.50735	1.9
69.51135	0.3
70.06578	0.5
71.95186	0.2
82.06573	34.5
83.04967	0.5
83.06895	0.7
84.08137	11.4
84.25310	0.2
85.02881	0.4
86.06060	0.3
98.21424	0.5
98.97556	1.2
100.07597	2.1
101.00883	1.4
104.10781	0.3
109.07628	0.5
110.06042	0.3
111.04391	0.3
113.00849	0.4
116.07070	0.4
116.98598	0.9
119.01910	4.1
120.02036	0.3
127.02382	0.4
127.08660	0.5
128.07066	100.0
128.98607	0.2
129.07396	2.0
131.01889	1.6
134.99669	0.3
137.02942	0.8
145.03442	2.8
145.09727	0.8
146.99594	0.5
149.02977	0.5
155.01918	0.5
155.07054	0.4
155.08180	1.1
161.02925	0.6
163.04501	1.2
165.00702	0.3
173.02940	1.2
173.09232	13.4
174.07516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03922	0.8
55.01871	3.9
55.05264	0.7
55.05507	12.2
56.05029	1.1
56.96559	4.4
57.03428	6.2
57.04530	1.1
57.07061	1.7
58.06581	1.2
59.04985	1.1
59.06098	2.3
60.04512	1.4
65.03931	4.3
67.05500	57.4
68.05010	0.8
68.99783	1.5
69.03410	4.0
69.04546	0.7
69.07063	9.1
70.06572	2.7
71.04993	4.2
71.06104	1.2
71.37133	1.1
71.37474	1.0
72.04142	1.0
72.04510	15.0
72.08134	3.1
72.93776	1.2
73.02912	8.6
75.05608	1.4
79.05486	38.4
79.10373	0.7
80.05816	0.8
81.03395	1.4
81.07050	40.8
81.51453	0.6
82.06593	0.9
82.07365	1.5
83.04974	11.2
83.06084	1.9
83.08609	6.8
84.04506	1.2
85.02893	3.3
85.06520	2.7
85.07650	1.2
86.06053	1.3
86.09673	1.1
87.04460	2.2
89.07146	12.9
91.05462	8.1
92.63359	0.6
93.03394	2.7
93.07037	6.9
95.04958	2.4
95.08598	4.4
96.05588	0.9
97.02867	3.7
97.06528	5.6
97.10157	2.2
98.06001	1.1
98.97576	0.9
99.04445	2.3
100.02565	0.7
100.08726	1.6
100.80331	0.7
104.01252	0.7
105.07032	4.1
107.04934	2.9
107.08586	100.0
108.08906	1.6
109.06502	4.7
109.07637	1.1
109.10151	21.9
110.06052	0.9
110.07173	1.0
111.04431	38.7
111.08066	7.2
111.09194	5.8
112.04952	0.8
112.07569	1.3
113.10767	1.2
114.06612	0.8
115.05441	2.7
116.98572	0.9
117.07011	2.7
117.95836	0.7
119.01839	1.2
119.06059	0.9
125.02370	1.0
125.06007	2.2
125.09623	15.5
126.05531	1.5
126.09123	1.1
127.07529	0.6
128.06207	4.7
128.08167	0.9
128.98660	0.8
129.05524	0.8
129.07008	1.6
129.09106	0.9
135.08044	11.2
135.11703	3.2
139.03917	6.1
139.04945	1.1
141.05333	0.8
141.07066	0.9
141.12700	0.9
142.06029	0.7
143.03438	1.0
143.04913	1.4
143.06046	1.1
143.08528	6.9
145.01521	0.9
146.03600	0.8
146.99683	0.9
147.96906	0.8
148.03445	0.7
148.53648	0.7
148.97588	0.8
153.01848	1.1
153.05528	1.7
153.09093	67.8
153.12747	3.1
154.09631	2.6
154.13405	1.1
155.04129	0.9
156.09325	6.3
157.01346	1.9
165.98018	0.9
168.01913	0.8
170.81371	0.7
171.02896	2.1
171.04324	1.3
171.05547	0.9
171.07954	2.4
171.10194	40.1
171.11711	8.1
171.13541	1.2
171.14949	12.3
171.16325	1.1
172.07379	0.9
172.10699	1.5
179.60294	0.6
180.76114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03942	0.6
55.01869	2.9
55.05509	4.0
56.96567	2.3
57.03428	0.7
57.04547	0.5
57.07084	0.4
59.06117	0.5
64.03147	0.3
65.03940	18.2
67.05501	2.3
68.99790	7.1
69.03416	1.8
69.07069	1.7
70.06583	0.8
70.40790	1.0
71.05003	0.8
72.04519	3.7
72.08138	0.4
72.93786	1.0
73.02901	0.3
79.05484	1.2
81.03419	2.7
81.07059	0.9
82.06599	0.5
82.51582	0.4
83.01337	0.4
83.04978	9.6
83.06101	0.4
83.08621	1.5
84.04480	0.5
88.95322	0.4
89.07156	2.1
91.52094	1.0
93.03406	3.8
93.07021	0.7
95.04958	1.6
96.02128	0.8
97.02875	1.7
97.06530	1.1
99.94836	0.4
107.04958	0.8
107.08588	0.8
109.02896	0.7
109.06527	0.4
110.06048	0.6
111.04439	74.7
111.09217	0.9
112.04791	1.1
113.07098	0.4
114.06685	0.5
114.25846	0.3
116.98615	0.6
118.54387	0.5
121.02887	1.3
121.03990	4.8
122.53729	0.4
124.54451	0.5
125.06026	0.5
125.09673	0.7
126.05544	0.4
127.03938	0.5
127.20872	0.3
128.04286	0.3
128.06200	0.8
129.53622	0.5
138.54117	2.7
139.03899	100.0
140.04216	1.9
143.03487	0.5
143.08560	0.8
147.54657	3.6
147.96898	1.1
148.97469	0.6
150.04956	0.5
153.01866	0.4
153.05467	0.6
153.09085	0.5
154.08582	0.4
154.09726	0.5
156.03699	0.5
156.55212	1.0
157.01300	1.2
164.02293	0.8
165.97952	1.0
171.02879	1.4
171.06540	7.4
171.07938	0.6
171.10114	0.4
171.11644	1.6
171.14935	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03936	4.9
55.01865	5.4
55.05261	1.8
55.05510	24.7
56.05027	2.9
56.96553	4.1
57.03428	5.5
57.07073	9.5
59.05007	7.5
59.06109	5.1
65.03947	8.7
67.05165	2.2
67.05503	31.9
67.63570	1.6
68.05013	4.6
68.99773	3.9
69.03426	11.7
69.07063	19.6
69.88019	9.2
70.06574	5.2
71.04992	53.7
71.08611	2.6
72.08137	4.8
79.05492	16.5
81.03408	15.0
81.04523	2.8
81.07056	100.0
82.06567	4.0
82.07375	2.4
83.04972	16.3
83.06078	5.7
83.08603	4.6
84.04520	1.7
84.08150	7.2
85.02891	6.7
85.06542	9.0
85.07629	4.3
86.06049	1.8
86.08447	2.8
89.06023	3.0
91.05457	4.5
93.07033	12.8
93.19164	1.4
94.06546	3.9
95.04966	11.6
95.06055	1.7
95.08045	1.8
95.08610	22.5
96.08143	3.3
97.02923	1.9
97.06541	7.9
97.07655	3.9
98.03655	3.4
98.07175	2.6
98.20726	2.3
99.04444	5.4
99.08107	8.3
105.07003	9.8
106.12659	1.5
107.08594	26.3
109.02876	43.2
109.06516	21.5
109.07639	9.6
109.10157	49.6
110.06046	2.6
110.07142	4.9
110.10442	2.0
111.00806	17.6
111.04447	15.2
111.05164	1.6
111.05556	3.6
111.08076	14.0
111.09193	31.2
113.06027	2.8
121.10149	3.4
123.04420	5.5
123.08073	16.1
123.10802	3.1
123.11708	63.0
124.04635	2.7
124.07563	4.7
124.08675	4.3
125.05964	5.6
125.07082	2.0
125.09627	2.2
126.02253	2.5
126.03133	33.9
126.06657	1.5
126.10197	3.0
127.03922	3.3
127.07507	3.8
133.10146	7.5
139.11191	9.4
141.05464	86.7
142.05780	4.4
146.96144	2.3
151.03918	7.2
151.04950	2.3
151.07492	5.8
151.08652	1.7
151.11169	18.2
152.07005	3.1
152.08185	6.4
152.11771	3.4
154.02605	4.8
154.07767	2.2
158.69206	1.4
169.04968	40.8
169.07408	8.2
169.08640	5.5
169.10852	4.3
169.12198	12.8
169.14499	6.0
170.05318	1.8
170.08109	6.7
170.09544	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00305	1.6
53.03933	3.5
55.05508	13.2
57.07063	4.4
59.05018	2.4
65.03925	2.2
67.05499	21.8
69.03416	3.1
69.07065	19.7
70.49874	4.4
71.04991	37.9
73.06555	14.1
78.04712	9.3
79.05056	1.9
79.05488	22.6
81.03381	1.6
81.07054	30.1
83.04971	4.4
83.08623	7.1
84.96037	2.2
85.06508	1.5
91.05486	7.9
93.06463	2.2
93.07040	37.9
95.04958	4.7
95.08601	89.0
96.05762	1.4
96.08933	2.4
97.06512	5.4
103.05463	1.3
105.03373	1.3
105.07021	5.0
106.04171	3.9
107.04955	6.5
107.08587	44.0
109.02819	2.3
109.06514	5.4
109.07597	1.4
109.10149	18.5
111.04452	1.4
111.08064	3.5
119.08557	1.6
121.01626	5.8
121.02879	1.8
121.06482	2.1
121.10135	22.8
122.03619	1.4
123.04427	18.4
123.08026	1.5
123.11710	5.3
124.05240	8.1
125.05955	1.6
125.08234	2.0
125.09582	3.3
127.03854	1.3
134.03641	1.4
135.04439	1.6
139.02695	3.2
139.03880	1.9
139.07529	2.3
140.03255	1.4
144.03255	4.6
149.02382	1.5
149.09663	2.9
149.13258	30.5
151.03889	3.6
152.04669	4.3
162.04294	1.9
167.03380	3.2
167.07034	100.0
167.10681	5.8
167.14299	14.2
168.07442	3.4
178.96249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.52818	0.8
51.57427	0.7
53.00280	0.9
53.03931	2.2
55.01856	1.4
55.05510	9.9
57.03417	1.6
57.07063	2.8
59.04988	1.1
59.06108	1.0
59.17535	0.7
65.03920	2.3
66.04701	1.4
67.05170	1.1
67.05499	16.9
69.03413	3.6
69.07059	11.9
70.26162	0.8
70.84119	2.6
71.04989	24.5
73.06553	10.0
78.04714	10.3
79.05052	1.5
79.05486	17.6
81.03410	1.3
81.07047	29.2
82.07388	0.9
83.04967	3.3
83.08616	6.8
84.96010	1.0
85.02907	1.7
85.06557	1.8
91.05463	5.7
93.03405	1.1
93.07036	29.4
95.04979	4.7
95.08600	57.1
96.05714	1.5
96.08936	0.8
97.02856	2.0
97.06526	4.6
97.07638	1.3
105.03387	2.2
105.07030	5.4
106.04178	4.5
107.04949	6.3
107.08583	34.2
109.02865	2.7
109.06491	2.7
109.07640	2.7
109.09475	0.8
109.10155	12.4
111.04485	1.2
111.08062	2.9
121.01658	2.6
121.02842	1.8
121.06513	3.0
121.09304	1.5
121.10131	21.7
122.03544	6.2
122.07139	1.5
123.04425	21.1
123.08051	1.5
123.11681	5.4
124.05222	8.1
125.05981	1.3
125.08219	1.8
125.09639	2.4
127.03899	1.0
131.08577	1.3
134.03670	1.2
135.04460	1.5
137.05984	1.2
139.02679	1.6
139.07506	2.0
139.11116	1.4
144.03239	3.5
149.02335	3.2
149.05984	1.7
149.09616	3.2
149.13240	20.4
150.09070	1.0
150.10240	1.2
151.03896	5.3
152.04637	4.8
162.04234	1.0
167.03329	2.6
167.07028	100.0
167.10603	5.8
167.14276	9.3
168.07579	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	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.7
53.03936	1.9
55.01838	0.9
55.05504	6.9
56.96550	0.8
57.01868	0.7
57.03410	1.2
57.07058	2.0
59.04980	1.9
59.06121	0.9
63.41159	0.6
64.42494	0.6
65.03913	1.9
66.04718	1.5
66.92283	0.6
67.05169	0.9
67.05502	10.8
67.93546	0.6
69.03416	2.5
69.07065	10.7
70.06570	0.7
71.04988	15.1
71.58567	1.2
73.06548	5.9
74.51724	0.5
77.03909	1.4
78.04700	7.4
79.05486	17.1
81.03421	2.1
81.07051	20.3
83.04980	4.1
83.06087	1.0
83.08630	3.6
84.05597	0.7
84.96012	1.4
85.06527	1.7
91.05487	4.7
93.03392	1.0
93.06464	1.3
93.07037	21.3
94.04204	3.2
95.04964	5.3
95.08598	36.7
96.05721	1.0
96.08920	0.8
97.02908	1.0
97.06506	3.5
97.07648	0.6
99.80152	0.6
105.03416	1.8
105.07002	3.0
106.04167	2.5
107.04952	6.4
107.08588	24.4
108.05733	0.8
108.08902	0.6
109.02873	1.5
109.06509	21.8
109.07663	1.6
109.10135	9.3
111.04466	2.2
111.08066	3.3
121.01644	5.4
121.02861	1.9
121.06495	2.9
121.10131	13.6
122.03606	1.2
122.06100	0.8
122.07108	1.4
123.04421	14.6
123.08071	1.7
123.11702	3.9
124.05234	6.9
125.05979	1.8
125.08210	1.7
125.09608	2.9
125.42345	0.7
126.05553	0.9
127.03874	0.7
131.08620	1.1
135.04395	1.7
137.05980	8.8
139.02681	2.2
139.07518	3.5
139.11188	1.2
140.07042	1.5
144.03244	4.4
149.02350	9.6
149.06004	1.2
149.09573	4.3
149.13246	13.5
150.05450	1.3
150.10226	1.5
151.03871	3.8
152.04646	3.9
155.07014	7.2
162.04300	2.1
167.03328	2.4
167.07028	100.0
167.10625	5.9
167.12939	1.4
167.14281	7.8
168.07465	4.8
182.25943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.7
53.03936	1.9
55.01838	0.9
55.05504	6.9
56.96550	0.8
57.01868	0.7
57.03410	1.2
57.07058	2.0
59.04980	1.9
59.06121	0.9
63.41159	0.6
64.42494	0.6
65.03913	1.9
66.04718	1.5
66.92283	0.6
67.05169	0.9
67.05502	10.8
67.93546	0.6
69.03416	2.5
69.07065	10.7
70.06570	0.7
71.04988	15.1
71.58567	1.2
73.06548	5.9
74.51724	0.5
77.03909	1.4
78.04700	7.4
79.05486	17.1
81.03421	2.1
81.07051	20.3
83.04980	4.1
83.06087	1.0
83.08630	3.6
84.05597	0.7
84.96012	1.4
85.06527	1.7
91.05487	4.7
93.03392	1.0
93.06464	1.3
93.07037	21.3
94.04204	3.2
95.04964	5.3
95.08598	36.7
96.05721	1.0
96.08920	0.8
97.02908	1.0
97.06506	3.5
97.07648	0.6
99.80152	0.6
105.03416	1.8
105.07002	3.0
106.04167	2.5
107.04952	6.4
107.08588	24.4
108.05733	0.8
108.08902	0.6
109.02873	1.5
109.06509	21.8
109.07663	1.6
109.10135	9.3
111.04466	2.2
111.08066	3.3
121.01644	5.4
121.02861	1.9
121.06495	2.9
121.10131	13.6
122.03606	1.2
122.06100	0.8
122.07108	1.4
123.04421	14.6
123.08071	1.7
123.11702	3.9
124.05234	6.9
125.05979	1.8
125.08210	1.7
125.09608	2.9
125.42345	0.7
126.05553	0.9
127.03874	0.7
131.08620	1.1
135.04395	1.7
137.05980	8.8
139.02681	2.2
139.07518	3.5
139.11188	1.2
140.07042	1.5
144.03244	4.4
149.02350	9.6
149.06004	1.2
149.09573	4.3
149.13246	13.5
150.05450	1.3
150.10226	1.5
151.03871	3.8
152.04646	3.9
155.07014	7.2
162.04300	2.1
167.03328	2.4
167.07028	100.0
167.10625	5.9
167.12939	1.4
167.14281	7.8
168.07465	4.8
182.25943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.43952	0.6
51.67972	0.6
53.03944	1.8
55.01861	2.5
55.05509	6.1
55.38625	0.9
56.05027	1.9
56.96559	0.7
57.03427	2.3
57.07071	1.3
59.04996	3.7
59.06110	2.9
65.03931	1.7
66.04688	0.9
67.05501	7.3
68.05009	1.6
69.03429	3.8
69.04523	0.7
69.07062	6.4
70.06561	1.8
71.01340	0.9
71.04982	2.7
71.59542	1.1
72.08154	0.8
73.02908	2.7
75.04474	2.0
78.04700	10.9
79.05485	28.6
80.05038	1.0
81.03399	2.1
81.04525	2.1
81.07050	28.9
82.06569	3.0
82.07382	1.1
83.04973	5.9
83.06084	2.7
83.08600	2.3
84.08129	1.6
84.93761	0.8
84.96053	1.4
85.02855	0.8
85.06520	4.5
85.07646	1.5
87.04465	1.0
91.05472	10.6
92.21246	0.7
93.03385	1.5
93.07033	57.7
93.86642	0.8
94.04168	1.0
94.07357	1.2
95.04967	9.4
95.06102	1.0
95.08043	1.3
95.08596	17.6
96.04435	0.8
96.05721	1.5
97.02875	1.1
97.06526	7.1
97.07643	2.7
98.07154	0.9
99.04425	0.9
99.05602	0.7
102.94810	0.9
103.00613	0.9
103.05447	1.7
105.03376	1.1
105.04533	1.1
105.07018	12.9
106.04173	5.5
106.07873	0.9
107.04956	9.4
107.06071	0.9
107.08581	30.7
109.02866	3.3
109.06512	6.8
109.07614	8.2
109.10179	1.7
110.07177	1.3
110.08419	2.6
111.04446	5.3
111.08067	9.0
111.09221	3.6
119.08580	3.1
121.01663	7.3
121.02852	2.1
121.06502	9.3
121.10129	96.0
122.03639	1.6
122.06049	0.8
122.07141	3.9
122.10479	2.5
123.03550	1.4
123.04416	21.4
123.08050	5.1
123.09165	1.8
123.11695	13.4
124.05187	8.1
124.08706	2.9
125.06001	9.1
125.08211	2.4
125.09629	2.7
126.06603	0.9
126.10238	1.6
131.08565	3.6
133.07556	1.1
133.47919	0.7
134.03653	0.8
135.04419	1.7
137.05946	1.8
139.02705	3.9
139.03780	1.1
139.07501	3.2
139.11165	13.2
140.07133	1.6
144.03206	5.5
144.79202	0.7
149.02324	3.3
149.05957	3.1
149.08371	1.2
149.09590	19.2
149.10736	1.4
149.13274	2.0
150.06590	2.1
150.10263	8.7
151.03886	4.1
152.04672	5.5
162.04269	2.2
167.03491	3.5
167.07025	100.0
167.09306	2.7
167.10634	19.9
167.12923	2.9
167.14320	2.8
168.07364	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01596	0.3
51.86904	0.3
52.03133	0.4
53.00303	0.5
53.03942	1.8
55.01865	1.9
55.05501	2.0
56.96568	1.9
57.03421	0.3
57.07041	0.5
59.06110	0.4
65.03928	1.4
66.04704	1.0
67.05496	2.3
67.55370	0.3
68.99784	0.8
69.03426	1.9
69.07058	2.9
69.49040	2.0
69.49456	0.8
70.06586	0.6
71.04991	0.5
77.03899	0.6
78.04259	0.6
78.04707	10.3
79.05486	9.9
81.03394	1.2
81.04549	0.5
81.07048	3.9
82.06560	0.9
83.04992	2.9
83.06043	0.5
83.08620	0.9
84.08156	0.5
84.96021	1.1
85.02904	0.6
85.06534	0.8
91.05469	5.2
93.03403	0.7
93.07034	10.0
94.04168	1.2
94.07362	0.5
95.04966	5.2
95.08584	2.2
96.05746	0.7
97.02882	1.0
97.06515	2.2
97.07611	0.4
97.10114	0.4
103.00616	0.4
103.05460	5.7
104.05801	1.0
105.03369	1.4
105.04521	0.6
105.07047	1.6
106.04179	3.4
107.04955	8.5
107.08582	8.5
109.02912	2.1
109.06506	2.8
109.07631	0.9
109.10153	0.9
111.04452	2.9
111.08057	1.4
111.09197	0.5
113.03504	0.4
118.35202	0.4
119.08487	0.4
121.01591	1.9
121.02889	1.0
121.06496	15.6
121.10133	6.5
122.03622	1.4
122.06030	0.4
122.06986	1.1
123.00836	0.6
123.04419	18.8
123.08053	1.3
123.11714	0.7
124.05221	7.3
124.08697	0.6
125.04704	0.5
125.06010	1.7
125.08220	1.4
125.09619	1.2
126.03126	25.6
131.04910	0.5
131.08527	0.9
134.03610	0.7
135.04396	1.2
137.06000	1.2
138.03082	0.6
139.02771	1.6
139.03886	24.1
139.05598	0.6
139.07480	1.6
139.11159	0.5
140.04305	0.4
140.07062	0.8
144.03209	2.0
149.02357	2.3
149.05974	12.6
149.07834	0.5
149.09618	3.3
149.13235	1.0
150.03104	1.1
150.06366	1.2
150.10216	1.0
151.03902	4.6
152.04691	5.3
159.15910	0.3
162.04282	0.8
167.03479	2.8
167.07028	100.0
167.08815	3.2
167.09175	3.3
167.10689	4.2
167.14206	1.9
168.07533	2.4
169.01314	1.6
181.95135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02356	0.3
53.03934	1.0
55.01858	0.7
55.05506	2.1
56.05020	0.7
56.96556	0.5
57.03418	0.4
57.07045	0.3
59.04999	0.7
59.06103	1.0
65.03934	0.8
66.04696	0.5
67.05495	1.7
68.05016	0.7
69.03426	2.0
69.04523	0.3
69.07065	1.9
69.98059	0.2
70.06576	0.8
70.84050	0.7
71.04972	0.9
72.08145	0.3
78.04707	9.5
79.05488	6.9
79.05953	0.3
80.05021	0.3
81.03398	1.0
81.04514	0.5
81.07056	2.6
82.06563	1.0
83.04969	2.6
83.06090	0.9
83.08584	0.4
84.08111	0.7
84.96011	0.2
85.02898	0.5
85.06517	0.3
85.07645	0.7
85.49060	0.3
91.05468	2.4
93.03381	0.6
93.07037	4.7
94.04163	0.4
94.06539	0.5
95.04970	3.4
95.06042	0.5
95.08592	1.5
96.05721	1.0
97.02869	0.3
97.06548	1.4
97.07635	0.9
97.10177	0.2
98.09649	0.4
99.04432	0.3
103.05516	0.3
105.03376	0.7
105.04505	0.3
105.07027	1.7
106.04163	4.2
107.04954	3.6
107.07858	0.5
107.08583	10.1
108.79667	0.2
109.02876	1.1
109.06514	2.4
109.07633	3.1
109.10126	0.9
110.07180	0.5
110.08440	1.5
111.04414	1.1
111.08054	0.7
111.09206	1.6
112.06325	0.2
119.08579	0.4
121.01661	1.5
121.02864	1.6
121.06518	1.4
121.10138	4.8
121.28890	0.2
122.03653	1.2
122.07121	1.0
123.04421	18.7
123.08035	1.8
123.09045	0.4
123.11712	0.3
124.05203	6.9
124.08698	1.0
125.02369	0.3
125.05950	1.1
125.08266	0.4
125.09612	3.2
127.07400	0.3
131.08580	1.3
134.03625	1.3
135.04387	0.9
137.02222	0.3
137.05971	1.0
137.09595	0.6
138.03062	0.4
139.02713	0.9
139.03862	0.5
139.07512	0.7
139.11160	1.1
144.03214	1.4
149.02368	0.8
149.05969	1.5
149.09604	2.4
150.05490	0.3
150.06631	0.4
150.10262	2.3
151.03885	4.0
152.04674	4.9
162.04300	0.8
167.07028	100.0
167.10641	4.7
167.12923	0.8
167.14337	0.8
168.04222	0.6
168.07423	2.5
168.11313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03934	1.3
55.01876	3.0
55.05512	5.0
56.96573	1.1
57.03433	5.6
57.07092	1.0
62.68215	0.7
65.03946	0.9
67.05500	34.0
68.05833	0.7
69.03429	3.2
69.07056	5.8
69.07355	0.6
70.59138	1.4
71.05001	2.2
74.72511	0.6
77.03917	1.0
79.05486	28.5
81.07050	68.8
82.07384	1.4
83.04978	6.9
83.08632	1.5
85.06535	3.7
91.05471	31.1
92.05822	0.7
93.07037	32.4
94.07406	0.9
95.04975	5.4
95.08599	19.1
95.62665	0.6
97.06523	7.1
97.27583	0.7
98.09663	0.7
99.08101	1.4
100.02464	0.7
101.00902	1.0
101.02530	1.1
102.02338	0.6
103.05465	0.5
105.07022	55.8
106.07346	1.1
107.08588	17.8
109.06509	9.1
109.10164	4.7
110.10392	0.6
117.06994	0.9
119.01914	10.5
119.03597	0.6
119.04937	1.4
119.08570	48.3
120.02026	0.8
120.08109	0.9
120.08910	1.9
121.10133	57.7
122.07189	0.8
122.10487	1.8
123.08066	6.2
123.11709	8.3
124.02477	0.6
124.08231	0.5
126.04522	0.6
137.02966	3.8
137.05992	1.1
137.09575	4.4
137.13269	1.9
142.03481	9.2
142.96680	0.9
143.05441	1.2
145.10118	1.8
147.04407	3.6
147.11674	100.0
148.12006	3.5
152.05931	0.8
160.04536	3.8
165.05421	1.2
165.09085	3.9
165.12738	82.3
166.04994	1.0
166.13046	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	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
60.51151	0.1
69.07066	0.3
71.60304	0.2
71.60635	0.3
79.05482	1.3
91.05456	0.8
93.07044	1.7
95.04976	0.2
96.72490	0.2
103.05463	8.5
104.05733	0.2
107.04956	2.0
120.08098	100.0
121.06523	0.3
121.07675	0.2
121.08453	2.5
131.04926	2.7
135.04486	0.2
138.03052	0.2
138.05357	0.2
143.01883	0.3
143.03656	0.2
144.97896	0.2
149.05956	0.9
161.02945	0.5
161.06027	0.2
166.05028	0.3
166.08612	2.2
166.09731	0.2
167.07063	0.2
167.42729	0.2
171.48935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02382	0.2
51.96272	0.2
53.00298	0.5
53.03937	0.5
54.03467	0.3
55.01859	0.4
55.05483	0.8
56.05022	0.3
56.96560	0.6
57.03429	0.6
59.06105	0.6
65.03928	0.6
66.04704	0.4
67.05511	1.3
67.05820	0.3
68.05015	0.6
68.28876	0.2
68.99775	0.4
69.03413	0.5
69.07062	2.1
70.06586	0.7
70.27467	0.9
71.04963	0.5
71.07370	0.3
72.08125	0.3
73.58002	0.2
78.04709	11.0
79.05064	0.3
79.05489	3.3
80.05004	0.3
81.03403	1.1
81.04517	0.3
81.07035	1.3
82.04214	0.3
82.06575	0.8
83.04967	1.0
83.06087	1.0
84.08137	0.4
84.96001	0.3
85.02933	0.5
85.07655	0.6
91.05466	0.9
93.03385	0.5
93.07050	1.4
94.04179	0.7
94.06561	0.4
95.04954	2.9
95.06098	0.4
95.08588	0.5
96.05735	1.1
96.23351	0.2
96.36725	0.3
97.06507	0.6
97.07613	0.5
98.07121	0.3
99.04444	0.3
103.05531	0.3
105.03383	0.9
105.07026	0.3
106.04170	3.9
107.04995	1.5
107.06080	0.3
107.08578	1.4
108.04448	0.4
109.02873	2.0
109.06494	0.8
109.07632	2.3
110.01293	0.3
110.08428	0.8
111.04420	1.1
111.08053	0.5
111.09199	1.6
111.90880	0.4
121.01673	2.1
121.02896	0.7
121.06495	1.4
121.08422	0.3
121.10141	1.5
122.03632	1.1
122.07142	0.5
123.04424	21.8
123.08028	0.5
123.09185	0.6
124.05231	6.6
124.08675	0.6
125.05974	0.4
126.05497	0.6
131.06590	0.3
131.08527	0.3
134.03648	1.2
135.04395	0.7
135.53215	0.3
137.05946	1.2
138.03069	0.4
139.02692	1.5
139.03740	0.5
139.07524	0.6
140.07043	1.0
144.03258	2.0
149.02353	0.8
149.05923	0.5
149.09583	0.7
149.13168	0.3
150.03104	0.4
150.05559	0.3
150.10281	2.3
151.03883	4.2
152.04691	4.4
153.04959	0.3
162.04321	1.0
167.07028	100.0
168.04167	0.6
168.07466	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03945	1.9
55.01881	3.0
55.05502	6.4
56.96567	1.1
57.03438	6.1
57.07075	0.8
58.41707	0.7
65.03943	1.8
67.05501	35.3
68.05841	0.8
69.03432	4.5
69.07065	7.3
70.04850	2.7
70.05251	1.2
70.06586	1.1
71.04999	2.3
79.05488	31.6
80.49742	0.7
81.03442	0.8
81.07052	76.8
82.07390	1.5
83.04977	7.0
83.06109	0.9
83.08623	1.8
85.06531	4.6
91.05477	39.7
92.05812	1.1
93.07039	38.3
94.07386	1.1
95.04961	8.2
95.08602	25.0
97.06528	8.7
98.09692	1.1
99.08068	1.0
100.02471	0.9
101.00889	2.3
101.02560	1.7
102.02250	1.3
103.05470	1.7
105.07025	68.9
106.07341	2.1
107.04993	0.7
107.06070	0.9
107.08587	21.8
108.74070	0.9
109.06507	12.4
109.10150	8.5
111.08071	0.9
117.07018	1.6
119.01915	21.3
119.03683	1.7
119.04926	2.9
119.08575	55.1
120.01987	1.4
120.04485	0.8
120.08922	1.6
121.10136	62.7
122.07195	2.0
122.10479	3.1
122.91130	0.8
123.04465	0.8
123.08046	7.5
123.11707	10.5
124.02449	1.0
124.08665	0.8
133.02832	3.5
137.02959	8.8
137.05948	4.7
137.09613	5.9
137.13271	2.6
142.03490	15.3
143.03622	1.2
145.10075	1.5
147.04399	5.7
147.08064	2.2
147.11679	100.0
148.12027	5.2
160.04572	7.8
165.01833	1.2
165.05534	3.7
165.07750	1.6
165.09041	6.8
165.12744	91.3
166.05003	2.0
166.13179	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	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01868	2.8
55.05503	4.7
56.96557	1.2
57.03432	5.2
57.07078	0.8
65.03954	1.4
67.05501	28.3
68.05827	0.8
69.03429	3.6
69.07059	6.5
69.47861	4.4
71.04993	2.1
79.05488	25.7
81.03407	1.1
81.07053	66.9
82.07391	1.5
82.72613	0.5
83.04975	7.3
83.08618	1.7
85.06541	3.3
91.05474	30.5
92.05799	0.7
93.07038	32.0
94.07375	1.2
95.04970	7.3
95.08603	18.4
97.06522	6.9
98.20717	0.8
99.08091	1.4
100.02481	0.7
101.00891	1.8
101.02573	0.7
102.02183	0.6
103.05449	1.1
105.07026	55.9
106.07342	1.1
107.07858	1.1
107.08586	22.2
107.09286	1.1
109.06516	9.1
109.10130	5.1
111.08089	0.6
117.07030	1.1
118.26469	0.7
119.01912	15.6
119.03645	1.1
119.04955	2.2
119.08573	44.4
120.02015	0.8
120.08108	1.0
120.08918	1.7
121.10136	56.3
122.10475	1.5
123.08067	7.5
123.11687	9.5
124.02436	0.7
125.95135	0.5
130.04597	0.6
133.02869	1.2
134.04904	0.7
137.02956	7.0
137.05962	1.5
137.09586	4.3
137.13240	2.0
138.03073	1.1
142.03494	14.0
142.96703	1.1
143.03610	0.7
143.05429	2.5
145.10100	1.7
147.04402	5.0
147.11678	100.0
148.12006	4.4
152.05919	0.7
154.56192	1.0
160.04510	5.6
161.04744	0.7
165.01819	1.0
165.05319	2.4
165.09093	5.2
165.12744	87.2
166.05031	1.3
166.13068	3.7
183.06151	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03929	1.4
55.01864	0.8
55.05297	0.5
55.05508	6.0
56.05018	1.5
56.96559	0.9
57.03442	3.3
57.07072	4.3
58.06582	0.5
59.04999	3.1
65.03927	2.1
67.05502	26.9
68.05013	0.9
69.03427	6.6
69.07064	7.9
69.30040	4.7
69.30470	1.9
70.06577	2.7
71.04964	2.2
79.05050	1.1
79.05487	11.6
80.04993	1.2
81.03413	2.5
81.04530	1.3
81.07053	30.9
82.06575	1.3
82.34943	0.6
83.04986	2.7
83.06107	3.6
83.08610	2.4
84.08150	5.0
85.02919	0.9
85.06517	1.4
85.07641	0.7
86.08448	0.6
91.05476	14.6
91.07802	0.6
93.07046	7.8
95.04964	36.6
95.05946	0.9
95.08602	31.1
96.05284	0.7
96.08950	0.5
97.07628	1.5
98.09686	7.1
101.00857	1.4
103.05440	1.2
105.01144	0.6
105.03446	0.7
105.07030	17.3
107.04961	3.8
107.06070	1.4
107.08586	42.5
108.05713	1.6
108.08899	2.2
109.06517	22.5
109.07658	1.9
109.10143	9.6
110.07238	2.5
110.09686	3.9
111.09180	1.2
117.06992	2.5
119.01118	1.1
119.01912	11.5
119.03563	0.7
119.04877	2.6
119.08577	35.7
120.02038	1.2
120.08078	2.2
120.08912	1.3
121.06466	1.5
121.10139	11.4
122.07174	3.6
123.04443	1.3
123.08063	39.2
123.11698	27.4
124.08717	3.2
124.11215	0.9
124.12016	0.6
125.09495	1.2
127.07561	0.7
129.06999	1.5
132.05693	2.6
133.02858	1.9
133.06447	1.2
135.11697	0.9
136.08809	1.1
137.03004	5.0
137.06050	2.9
137.09608	8.4
137.11203	0.5
137.12341	1.4
137.13228	6.1
138.03056	1.0
138.05510	0.8
138.06508	0.7
141.09052	1.1
142.03497	9.8
147.04428	5.6
147.08040	18.6
147.11674	12.1
148.08620	3.5
150.12744	1.8
160.04552	4.1
164.64104	3.7
165.01784	1.3
165.05530	3.5
165.09117	13.9
165.11478	4.5
165.12740	100.0
165.64862	2.2
166.05031	2.3
166.13094	2.7
171.64072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03925	1.6
55.01857	3.1
55.05511	5.2
56.96553	1.1
57.03440	5.7
57.07044	1.0
60.79552	0.8
65.03925	1.5
67.05498	22.9
69.03413	3.8
69.07066	5.6
70.76329	2.4
70.76727	1.5
71.04971	3.0
72.13068	0.7
79.04998	0.9
79.05482	21.1
81.07053	55.9
83.04963	5.1
83.08614	1.5
83.93027	1.2
84.08154	1.0
85.06516	3.8
85.88718	0.8
91.05476	20.6
93.07035	21.9
93.32565	0.7
95.04963	6.3
95.08594	13.7
97.06533	7.1
98.09646	1.3
100.02460	2.8
100.26903	0.8
101.00864	9.3
101.02557	2.9
102.02253	1.8
105.07025	34.7
106.07355	1.4
107.08581	15.1
109.06513	8.3
109.10155	3.0
111.04557	0.8
111.08032	1.2
118.03506	2.5
119.01915	100.0
119.03625	3.7
119.04875	4.9
119.08572	27.3
119.09216	0.6
119.09432	1.0
120.01984	6.2
120.03268	2.2
121.10133	27.2
122.10457	1.3
123.04391	1.5
123.08067	6.0
123.11683	5.7
124.02435	3.1
124.03992	0.9
133.02859	1.7
137.02953	49.9
137.05948	2.0
137.09578	2.2
137.13246	1.5
138.03040	3.7
142.03490	83.4
142.96674	5.3
143.03598	7.7
145.10149	1.4
147.04401	6.3
147.08035	1.0
147.11679	48.3
148.11981	2.9
160.04555	35.4
161.04666	3.7
165.01820	2.0
165.05234	12.7
165.09071	4.4
165.12744	56.7
166.05064	3.2
166.13083	2.2
183.06151	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	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.12916	1.1
53.03938	2.5
55.01856	3.6
55.05506	7.0
56.96540	1.6
57.03435	9.1
57.07101	1.1
65.03922	2.8
67.05499	37.7
68.05826	2.3
69.03426	6.1
69.07071	9.2
69.99451	6.4
71.04978	3.3
79.05054	2.2
79.05488	38.5
81.07052	100.0
82.07399	2.0
83.04985	8.8
83.08601	2.0
85.06538	5.2
91.05477	40.7
93.07037	38.9
94.07314	1.3
95.04949	7.6
95.08599	24.2
97.06530	11.5
98.09683	1.7
98.21403	1.2
99.08133	1.4
100.02472	1.8
101.00855	7.5
101.02561	3.7
102.02177	1.2
105.07026	60.1
106.07301	1.3
107.08593	22.8
109.06514	11.4
109.10129	4.4
113.79305	1.1
118.03486	2.1
119.01913	74.7
119.03640	3.6
119.04927	2.4
119.08573	54.4
120.02027	5.4
120.08881	1.7
121.10136	51.8
122.10500	2.2
123.08070	10.3
123.11688	10.8
124.02447	3.6
127.37331	1.1
137.02956	38.5
137.04018	1.9
137.09587	3.8
137.13223	2.4
137.98335	2.3
138.03049	3.7
142.03488	65.4
142.96658	6.4
143.03650	5.2
145.10121	2.0
147.04388	6.8
147.11679	88.2
148.12019	3.7
160.04547	29.5
161.04695	2.1
165.01779	1.5
165.05170	11.2
165.09096	3.6
165.12743	95.5
166.05016	4.7
166.13101	2.8
168.75957	1.1
183.06168	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.04767	0.5
53.03941	2.2
54.03463	0.7
55.01868	6.0
55.05499	2.6
56.05030	2.5
56.96559	1.9
57.03433	0.7
57.04551	0.6
58.06592	1.6
59.06120	1.3
65.03931	2.0
67.05498	5.3
68.05023	3.4
68.99783	0.5
69.03410	1.7
69.07062	1.2
69.71711	3.9
70.06591	3.7
71.01327	0.8
71.04987	0.6
71.11101	0.5
79.05483	17.1
80.05022	1.5
81.03410	3.5
81.04528	3.0
81.07033	6.2
82.05333	0.6
82.06555	2.8
83.05015	1.2
83.06081	5.4
84.08121	0.9
85.02908	0.7
85.07645	1.6
88.37388	0.5
91.05471	19.1
93.03384	0.9
93.07030	4.2
94.04152	1.8
95.04951	7.9
95.06072	2.1
95.08603	4.5
97.02893	1.2
97.06438	0.7
97.07645	3.1
98.07162	0.7
101.00868	2.5
101.02576	1.1
103.05463	9.6
105.03374	0.9
105.07016	99.0
106.07327	3.2
107.04931	1.9
107.06065	2.5
107.08582	3.1
108.06895	0.7
109.02876	1.0
109.06501	6.5
109.07634	2.5
109.10124	3.3
110.07158	1.2
111.04426	1.6
111.09189	2.1
115.05416	1.5
117.06999	1.9
119.01903	20.6
119.04929	6.4
119.08567	17.8
120.01982	1.5
120.05497	1.1
120.08078	1.4
121.06478	1.3
121.07630	1.9
121.10110	2.2
122.03652	5.0
122.07173	4.8
123.04463	2.8
123.08032	5.6
123.11765	0.9
123.96482	0.6
124.05196	4.5
124.08693	4.5
125.02386	0.6
125.07108	0.6
125.09484	2.6
128.98593	0.6
132.05690	0.7
133.02873	2.8
133.06473	75.9
134.06825	1.9
135.04382	0.8
135.08014	0.9
136.08708	1.0
137.02988	11.0
137.05957	100.0
137.09555	5.1
138.03058	0.9
138.06334	2.7
138.10234	2.2
142.03484	18.7
142.96678	0.9
143.03625	1.0
147.04396	9.9
147.08025	7.3
147.11687	1.6
148.07625	0.9
148.08665	4.8
150.06741	1.6
151.07550	1.2
160.04526	8.0
161.48283	0.6
162.00739	0.6
163.85648	0.6
165.01872	2.0
165.05466	6.7
165.07629	1.8
165.09091	47.9
165.11362	7.8
165.12730	3.1
166.04910	1.0
166.08423	0.9
166.09602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
50.39234	0.5
53.03937	1.0
53.60892	0.5
53.99728	0.4
54.03458	0.8
55.01854	2.4
55.05511	1.1
56.05030	3.2
56.96553	1.3
57.03426	0.9
58.06577	1.4
59.06124	1.5
65.03929	1.5
67.05505	3.9
67.63219	0.6
68.05019	3.5
68.18418	0.5
69.03408	1.6
69.04532	0.6
69.07056	1.4
70.06580	3.9
71.04981	0.6
71.36229	0.9
71.36565	0.6
77.42710	0.5
79.05499	3.7
80.05002	2.1
80.79918	0.5
81.03414	1.3
81.04534	3.1
81.07045	4.4
82.06565	2.3
83.04968	1.2
83.06103	7.1
84.08169	0.6
85.02883	0.7
85.07654	2.7
91.05474	24.9
93.07036	3.6
94.04157	0.8
94.06541	0.7
95.04959	6.0
95.06087	1.9
95.08596	3.2
97.07650	2.4
98.07156	1.6
98.09675	0.9
101.00864	3.4
101.02537	0.5
103.05439	1.2
105.03390	0.8
105.07022	8.2
107.04926	1.4
107.06074	3.7
107.08586	2.2
108.05626	1.1
108.06818	0.9
109.02876	0.7
109.06516	3.1
109.07624	3.5
109.10146	3.8
110.07193	1.2
111.09196	2.3
112.08780	0.6
114.85052	0.5
117.07004	0.6
119.01915	31.7
119.04930	44.8
119.07779	0.8
119.08572	8.6
120.01999	1.1
120.04465	0.6
120.05240	1.0
120.08104	1.3
120.95514	0.6
121.06548	0.7
121.07616	2.1
121.10143	1.8
122.03647	1.1
122.07175	4.8
123.04446	6.4
123.08037	4.6
123.11676	1.0
124.02411	0.9
124.05091	0.5
124.08695	4.7
125.09487	2.8
133.02811	3.6
133.06506	4.4
136.08746	0.8
137.02968	17.1
137.05966	8.3
137.09592	3.8
138.05481	0.8
138.06509	0.7
138.09247	0.7
138.10252	2.2
142.03485	23.2
142.96741	1.2
143.03615	1.1
147.04399	100.0
147.08034	4.5
147.11687	2.2
148.04755	2.7
148.08647	5.2
160.04546	12.0
164.64055	0.9
165.01781	2.1
165.05463	8.5
165.06648	1.0
165.07733	1.1
165.09096	9.9
165.11359	8.8
165.12749	3.2
166.04968	1.1
166.06258	0.7
166.09808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02373	0.5
53.03939	1.3
55.01869	14.5
55.05504	1.8
56.05035	0.8
56.96567	0.5
57.03415	0.4
58.06588	0.8
59.06104	0.5
65.03944	2.1
67.05496	6.5
67.72729	0.4
68.05032	1.0
69.03417	1.1
69.07056	1.3
70.06584	2.5
71.04990	0.8
71.60745	0.5
79.05489	3.5
80.05016	0.9
81.03432	1.8
81.04534	1.6
81.07049	7.5
82.06570	0.7
83.04974	1.7
83.06109	2.7
83.08598	0.5
85.07666	0.9
86.08442	0.4
91.05477	45.8
92.05833	0.6
93.07042	2.7
95.04980	2.7
95.06100	0.8
95.08598	9.0
95.09160	0.7
97.07637	1.4
100.02457	0.8
101.00891	1.6
103.05456	1.8
105.07038	6.4
107.04948	1.1
107.06068	1.7
107.08587	2.8
109.02876	0.7
109.06505	2.7
109.07634	1.4
109.10152	9.1
110.07169	0.5
111.09200	1.1
111.16124	0.4
117.07000	0.4
118.96967	0.4
119.01919	19.9
119.04936	50.7
119.08566	6.1
120.02037	0.5
120.04414	0.4
120.05312	1.4
120.08097	1.1
121.06519	0.9
121.07602	0.8
121.10137	1.7
122.03645	0.6
122.07160	2.3
123.04456	1.8
123.08067	3.9
123.11702	1.5
124.02417	0.9
124.08716	2.3
125.09468	1.4
133.02826	2.6
133.06480	5.5
135.04358	0.4
136.05168	0.5
137.02991	10.0
137.05963	6.6
137.09584	3.9
138.10262	0.8
142.03496	16.4
143.03590	0.7
147.04401	100.0
147.08032	2.5
147.11659	2.0
148.04803	2.5
148.08687	2.2
160.04538	7.4
161.04684	0.4
165.01839	1.8
165.05476	11.1
165.07785	0.5
165.09103	9.1
165.11346	4.1
165.12756	3.9
165.16400	0.8
166.04846	0.6
166.08577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.57417	0.5
53.03939	1.4
55.05501	6.1
57.07055	1.3
65.03944	0.7
67.05497	3.3
69.03425	1.0
69.07059	21.5
71.08617	0.5
71.19700	0.7
74.18176	0.5
75.90639	0.4
77.03926	0.5
77.53345	0.4
79.05139	0.3
79.05483	14.4
81.07047	22.5
81.47348	0.4
82.07384	0.6
82.60224	0.4
83.08603	5.9
85.02895	0.5
91.05469	8.4
93.07030	35.7
94.07387	0.8
95.04971	3.3
95.08595	19.4
96.06908	0.4
96.08900	0.5
100.02493	1.6
103.05454	11.9
104.05769	0.6
105.03394	0.7
105.04496	0.7
105.07011	5.5
107.04964	3.3
107.08581	100.0
107.32868	0.4
108.08899	3.7
108.14542	0.4
109.06485	2.3
109.10143	1.4
117.07005	1.5
118.03499	1.5
119.06116	0.5
119.08566	2.5
121.06539	0.5
121.10127	30.5
122.07097	0.6
122.10477	0.8
123.08009	0.7
130.07854	0.5
131.04913	16.9
132.05257	1.0
133.02843	1.9
133.10094	0.4
133.23792	0.4
135.04410	2.8
135.08043	1.4
135.11671	15.4
136.08730	0.8
136.12071	0.8
145.06467	0.8
145.10110	1.9
148.08801	0.8
149.90320	0.4
161.13240	1.2
163.03888	11.2
163.05194	0.6
163.07523	7.3
163.09793	1.1
163.11139	8.7
163.14799	56.9
164.04337	0.6
164.11575	0.6
164.15178	2.6
172.73726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35493	0.4
69.83936	0.4
70.79933	1.0
70.80325	1.0
77.24500	0.5
82.99847	1.4
100.02483	1.4
101.00868	19.2
101.02544	0.5
102.00960	1.1
105.45490	0.5
110.85588	0.4
118.03517	0.6
119.01910	100.0
120.01984	4.9
121.02310	0.5
124.02456	3.3
128.08850	0.5
137.02942	31.7
138.03050	2.1
142.03487	68.1
143.03616	3.2
160.04543	29.4
161.04692	0.8
161.23163	0.4
165.05103	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81151	0.2
51.95800	0.3
56.96554	0.8
57.03421	0.4
58.99854	0.4
61.02919	0.3
69.03428	0.4
69.57874	2.1
74.93787	0.2
77.00885	0.3
77.12151	0.3
82.01458	0.7
82.99858	1.0
90.05591	0.3
96.15233	0.3
98.20785	0.3
100.02467	2.4
101.00191	0.6
101.00867	13.6
101.02529	1.4
102.00961	0.5
102.02249	0.3
102.09188	0.7
104.10764	1.5
116.98632	0.3
118.03509	2.3
119.01912	100.0
120.01166	0.4
120.01990	3.3
120.03271	0.3
121.02328	0.3
124.02431	4.0
125.01754	0.6
130.55473	0.2
134.02330	0.5
137.02948	43.1
138.03035	1.5
141.05080	0.3
142.03488	81.5
143.03624	2.8
147.06360	0.3
147.44858	0.3
151.55087	0.3
158.17328	0.3
160.04546	34.7
161.04594	1.3
165.05099	3.5
183.06143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03939	2.6
55.01879	1.2
55.05505	7.3
56.05019	0.9
57.03438	1.1
57.07065	2.8
61.02928	0.7
65.03941	1.1
67.05491	3.8
68.05021	1.1
68.99790	1.6
69.03417	1.9
69.07063	22.5
69.57961	5.7
70.07416	0.7
70.14573	0.7
71.05003	1.2
73.49375	0.7
79.05491	19.5
81.03409	1.2
81.04541	1.6
81.07051	20.0
82.07394	0.7
83.04980	0.9
83.08616	3.9
85.02910	2.4
89.03902	1.2
91.05472	13.6
92.06316	0.8
93.07037	36.2
95.04950	6.5
95.06069	2.0
95.08601	20.2
96.06865	0.8
97.07636	1.0
100.02464	2.1
103.05462	23.2
104.05833	1.1
105.03404	0.9
105.04498	1.0
105.07029	9.8
106.06570	0.7
107.04948	25.4
107.08585	100.0
108.05515	1.0
108.08924	2.8
109.06513	3.1
109.10180	1.0
115.05463	3.1
117.03340	0.7
117.06996	4.7
118.03526	2.4
119.06092	1.3
119.08566	5.1
120.05628	2.2
121.06490	2.9
121.10133	32.8
122.07093	3.9
122.10466	1.2
123.07990	1.9
131.04910	21.3
132.05310	1.1
133.02864	3.3
135.04404	6.3
135.08047	7.9
135.11681	15.7
136.07594	2.5
136.08698	2.7
145.02866	0.8
145.06483	3.9
145.10135	5.2
146.07133	1.3
163.03897	40.9
163.07533	13.1
163.09792	5.5
163.11191	14.7
163.14810	54.6
164.04254	2.5
164.07001	1.2
164.15178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
53.03942	1.8
55.05510	11.4
57.03424	1.0
57.07067	4.9
58.28750	0.7
63.66436	0.5
66.57606	0.6
67.05508	2.5
69.03436	1.6
69.07068	33.0
69.88639	4.0
71.08642	0.9
79.05492	12.5
81.07051	3.6
83.08617	14.4
85.02884	1.1
89.06039	1.1
91.05471	11.2
93.07042	27.5
94.07405	1.2
95.04962	4.6
95.06032	0.7
95.08602	5.4
97.07628	0.8
98.20831	0.8
100.02473	2.7
103.05464	12.3
105.03413	1.1
105.04500	0.8
105.07033	15.2
107.04959	4.0
107.08590	79.8
108.08804	1.3
108.09389	2.7
109.06520	2.9
109.07594	0.9
109.10174	2.8
109.80819	0.7
115.05455	0.8
117.07014	2.3
118.03516	1.8
119.06050	1.0
119.06871	0.8
119.08566	8.0
121.06483	2.7
121.10139	100.0
122.07151	2.6
122.10506	2.7
123.08028	2.9
124.05183	0.7
128.02338	1.1
130.07709	0.6
131.04926	16.0
133.02844	3.7
133.10100	1.2
135.04427	3.3
135.08063	1.5
135.11685	21.6
136.08641	0.9
136.12003	0.9
145.06487	1.3
145.10100	2.4
163.03902	18.6
163.07558	10.4
163.09796	3.1
163.11195	8.7
163.14821	39.4
164.04317	0.9
164.07057	1.1
164.11551	0.7
164.15211	1.1
174.27649	0.7
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
53.03929	1.3
55.01849	1.3
55.05504	2.4
56.96540	0.4
57.03432	0.7
57.07055	1.3
58.45712	0.3
64.58756	0.3
65.03929	0.7
67.05507	1.4
69.03417	2.3
69.07063	3.2
70.23587	0.3
70.23932	1.3
71.04959	0.4
77.03906	0.6
79.05485	9.6
81.03414	0.5
81.04522	0.9
81.06578	0.4
81.07045	5.1
82.05335	0.5
83.04962	0.6
83.06083	0.3
83.08590	0.7
85.02892	0.7
89.03887	0.5
89.06007	0.5
91.05477	5.3
92.02632	0.3
93.07040	10.3
95.04956	4.4
95.06063	0.6
95.08596	1.9
96.06837	0.5
97.07637	0.6
98.97572	0.4
99.04424	0.3
100.02486	2.5
103.05463	17.9
103.52068	0.4
104.05778	0.6
105.03353	1.0
105.04503	0.8
105.07021	5.6
107.04952	8.6
107.08588	12.0
108.05632	0.4
108.08129	0.4
108.08813	0.3
109.06527	1.4
109.07562	0.4
115.05428	0.9
117.03289	0.3
117.07005	4.9
118.03532	2.4
119.01793	0.5
119.04928	1.0
119.06055	0.4
119.08567	3.1
121.06498	3.3
121.10137	8.1
122.07180	1.9
123.07941	1.4
127.07555	0.6
128.02341	0.7
129.06975	0.4
130.07797	1.8
131.04918	23.6
132.05251	0.9
133.02855	2.8
133.06473	1.6
133.10155	0.4
135.04424	4.9
135.08060	4.2
135.11668	4.1
136.07558	4.1
136.08655	1.1
141.05040	0.4
143.08604	0.5
145.03922	0.5
145.06497	2.0
145.10112	12.7
146.06975	0.4
147.04283	0.4
147.08058	1.8
148.08815	8.9
163.03902	21.4
163.07556	11.0
163.09964	3.6
163.11162	100.0
163.14787	4.5
164.04297	0.9
164.07025	1.3
164.11533	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03926	2.5
55.01856	2.9
55.05305	0.6
55.05505	6.9
55.80456	0.6
56.96559	1.0
57.03435	1.0
57.07056	2.9
58.80751	0.7
62.01235	0.6
65.03922	2.3
67.04239	0.7
67.05162	0.8
67.05499	8.4
69.03426	3.8
69.07062	12.4
69.37337	7.3
70.32458	0.7
71.04973	1.0
77.03890	0.9
79.05488	30.0
79.36379	0.6
81.04530	1.9
81.07050	46.3
82.05305	1.4
82.07371	0.9
83.04967	0.9
83.08594	2.5
85.02895	1.6
91.05470	15.7
92.05770	0.9
93.03405	1.6
93.04494	0.8
93.07035	57.6
94.07353	1.3
95.04960	9.5
95.06071	1.9
95.08591	11.9
96.06841	0.9
97.02883	0.7
97.07623	1.1
100.02493	3.2
103.05455	25.3
104.05790	0.8
105.03398	1.4
105.04475	0.9
105.07024	19.0
107.04950	8.0
107.06089	1.5
107.08586	72.0
108.05537	1.1
108.08887	0.8
109.06515	13.0
109.07310	0.9
109.07571	0.9
109.10125	1.8
115.05432	1.1
117.05721	0.7
117.07001	10.6
118.03504	2.6
119.06001	1.1
119.08574	18.6
120.05562	1.2
121.06503	4.6
121.10133	61.5
122.07153	4.6
122.10450	1.1
123.07995	3.6
127.07553	12.3
129.07014	1.3
130.06444	0.7
130.06891	0.8
130.07771	6.5
131.04918	30.6
131.08139	0.7
132.05376	1.0
133.02870	4.1
133.06454	1.3
135.04422	7.0
135.08047	7.1
135.11670	14.6
136.07538	2.2
136.08629	2.5
143.08498	2.1
145.02867	0.6
145.03979	0.7
145.06438	3.3
145.10107	58.7
146.10512	1.8
148.08788	2.0
163.03889	28.6
163.07538	15.6
163.09819	7.5
163.11153	100.0
163.14804	39.4
164.04454	1.1
164.06966	0.9
164.11583	3.6
164.15236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02378	0.4
53.03941	1.2
55.01864	0.7
55.05497	1.1
56.77884	0.3
57.07073	0.7
67.05491	0.5
69.03414	1.5
69.07053	1.4
70.77564	0.7
77.03944	1.0
78.04704	0.3
79.05489	4.2
81.03398	0.4
81.04582	0.4
81.07038	2.5
83.08583	0.6
85.02881	1.2
88.53717	0.3
89.03880	0.4
91.05464	2.7
93.04510	0.3
93.07034	5.2
95.04958	2.8
95.06063	0.4
95.08588	2.1
97.02888	0.3
98.97578	0.4
100.02457	0.9
100.84934	0.3
101.52320	0.3
103.05460	67.9
104.05776	1.2
104.06301	0.9
105.03376	0.8
105.04495	0.5
105.07016	2.5
107.04951	6.0
107.08590	7.9
115.05451	0.8
117.07023	1.8
118.03492	1.3
119.01785	0.4
119.08578	1.2
120.05602	0.4
121.06519	2.7
121.10134	4.9
122.07143	1.0
123.07910	0.4
131.04918	100.0
132.05219	4.0
133.02835	2.0
133.06487	0.9
133.94453	0.4
135.04391	4.1
135.08032	3.0
135.11702	1.9
136.07600	0.5
145.06477	1.1
145.10114	2.5
146.07036	0.5
148.05164	0.6
148.08809	0.4
149.05968	3.5
163.03900	15.0
163.07533	47.7
163.09781	1.7
163.11136	11.4
163.14809	4.4
164.08150	2.2
164.11522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02369	0.5
53.03947	0.9
55.05499	1.3
64.45010	0.4
69.03419	1.0
69.07066	2.2
69.51056	1.1
69.51464	2.7
70.56668	0.5
77.03922	0.5
79.05492	4.2
81.03434	0.5
81.07061	2.4
83.08605	1.0
85.02899	1.8
89.06007	0.5
91.05465	1.8
93.07041	4.2
95.04948	2.1
95.08585	1.9
99.04401	0.5
100.02451	0.7
103.05461	63.8
104.05801	1.7
105.03367	0.7
105.04484	0.8
105.07021	1.9
107.04945	4.2
107.08581	8.3
109.06512	0.7
117.07001	0.8
119.04926	0.6
119.08588	0.6
120.05712	0.4
121.06488	0.9
121.10135	4.9
122.07141	0.8
123.07955	0.5
131.04919	100.0
132.05258	2.3
133.02858	1.1
135.04370	2.5
135.08032	1.2
135.11684	2.6
145.06505	1.0
145.10065	1.2
156.61244	0.5
163.03906	11.0
163.07532	54.5
163.09775	1.4
163.11142	6.6
163.14792	5.5
164.07858	1.6
178.75186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01579	0.6
51.02370	1.2
53.03944	3.0
54.03447	0.6
55.01868	1.5
55.05502	2.9
55.73967	0.5
56.96552	1.6
57.02161	0.5
57.03422	1.5
57.07070	1.7
57.67829	0.5
62.11806	0.6
63.02374	0.5
65.03930	1.5
67.05499	3.1
67.65809	0.5
68.99786	1.1
69.03439	3.5
69.07069	3.0
69.39830	4.3
69.40240	0.9
70.18718	0.5
71.04970	0.7
73.02920	1.4
73.06544	0.7
77.03935	1.5
79.05048	1.1
79.05486	15.7
81.03389	0.6
81.04529	1.4
81.07053	8.0
82.05304	0.9
83.06078	0.6
83.08601	1.1
85.02880	2.0
89.03921	1.1
89.05995	0.9
91.05473	16.7
92.02594	0.6
92.06268	1.0
93.03376	0.6
93.07037	13.4
94.33762	0.5
95.04964	9.6
95.06046	1.2
95.08614	3.5
96.06982	0.5
98.21513	0.9
98.97572	0.5
99.04432	0.8
100.02456	3.2
103.05459	100.0
104.05758	3.4
104.63219	0.6
104.85970	0.5
105.03387	3.1
105.04512	1.4
105.07021	14.0
106.06552	0.9
107.04945	61.7
107.08585	24.5
108.05331	1.7
108.08868	0.5
109.06493	3.4
115.05439	3.6
117.03374	0.8
117.07009	7.3
118.03512	4.9
119.01820	0.6
119.04926	3.7
119.06077	1.0
119.08559	4.7
120.05696	5.2
121.06514	8.3
121.10129	10.1
122.07135	2.6
123.07945	1.6
127.07542	0.6
130.06558	0.7
130.07762	1.8
131.04918	90.5
132.05231	3.2
132.08086	1.0
133.02859	5.6
133.06461	1.8
133.07475	0.5
134.07281	0.6
135.04414	25.6
135.08041	63.3
135.11649	5.6
136.04733	1.5
136.07529	1.2
136.08470	2.8
141.05112	0.6
145.03951	1.3
145.05000	0.5
145.06511	3.6
145.10110	10.3
147.08043	1.1
148.05167	1.1
148.08844	2.9
163.03900	55.9
163.07533	75.0
163.09798	5.7
163.11145	49.4
163.14819	9.7
164.03163	0.8
164.04311	2.0
164.06854	1.1
164.08037	1.5
164.11539	2.0
170.83226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02370	0.8
53.03947	4.2
54.17720	0.3
55.01870	2.1
55.05506	0.7
56.96560	2.0
57.03442	1.1
57.07071	1.2
63.02372	0.4
65.03938	0.5
67.05499	0.6
68.99791	0.5
69.03436	0.6
70.98059	0.3
73.02912	0.4
74.33356	0.3
77.03934	1.3
78.04697	0.6
79.05491	7.1
79.05953	0.4
80.48045	0.3
81.03419	0.9
81.07058	1.2
82.01423	0.7
85.02884	0.5
89.03886	0.6
89.06041	0.6
91.05484	4.2
92.01274	0.3
92.02625	1.4
93.07038	4.1
95.04961	13.2
95.08582	0.5
98.97590	0.5
100.02476	6.1
103.05463	76.6
104.05724	1.0
104.06355	2.8
105.03383	4.2
105.04500	2.1
105.07015	2.4
107.04956	7.0
107.08588	3.4
110.01278	0.8
110.48741	0.3
115.05461	1.4
116.98618	0.7
117.03384	0.6
117.06978	1.9
118.03516	6.2
118.06506	0.5
119.01792	0.8
119.04929	0.8
119.08589	2.7
119.14533	0.3
120.02076	0.5
120.05722	0.5
121.02334	1.0
121.06496	3.3
121.10151	2.6
122.07139	0.7
123.04068	1.0
123.07981	0.6
128.02299	1.1
130.02835	0.5
130.06551	0.4
130.52605	0.6
131.04921	100.0
132.05142	2.2
132.08090	0.4
133.02844	18.1
133.06483	2.6
134.03227	0.5
134.99666	0.5
135.04411	20.3
135.08025	1.7
135.11671	0.7
136.04739	0.9
136.08644	0.5
136.56267	0.4
138.03069	0.7
139.53108	0.5
141.05096	0.8
145.06519	2.1
145.10143	1.8
147.08060	0.8
149.05972	7.3
163.03899	99.9
163.07524	14.0
163.11154	8.0
163.12341	0.6
163.14825	1.3
164.04280	5.0
164.07076	0.6
164.08313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.77019	0.2
53.03950	0.2
55.05508	6.2
61.07750	0.2
66.70104	0.2
67.05483	0.3
69.07063	1.7
71.10169	0.5
78.85419	0.2
79.05482	1.1
81.07059	0.6
82.11217	0.2
91.05471	5.9
93.07037	0.9
95.04965	0.4
103.05471	1.0
104.06242	0.5
105.07026	13.5
107.08614	1.4
115.05461	1.1
117.07018	2.5
118.04162	0.5
119.08572	100.0
120.08893	2.5
121.06384	0.4
121.10137	2.2
128.06165	0.2
130.07803	0.2
131.04953	0.3
131.08569	1.4
133.06467	1.6
133.10120	13.6
134.10432	0.6
143.08545	0.4
146.03641	0.3
146.07086	0.4
146.10884	0.5
159.11681	0.8
161.05971	1.7
161.08250	0.4
161.09607	2.8
161.13243	17.9
162.13594	0.7
184.22533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01873	0.9
55.05255	0.9
55.05506	11.3
56.96568	1.8
59.06135	0.7
65.03931	0.6
67.05496	4.8
69.03416	0.5
69.07066	11.0
69.07417	0.4
71.12075	1.2
77.03936	0.5
79.05485	7.7
81.07053	15.9
83.08614	0.7
87.05560	0.6
88.02231	0.7
91.05474	24.5
93.04533	0.6
93.07038	12.6
95.04954	1.6
95.08595	3.1
95.34286	0.4
95.36745	0.5
97.02900	0.8
98.06052	0.5
102.05572	0.8
103.05479	3.2
104.03093	0.8
104.06216	0.5
105.07022	90.6
105.60643	0.6
106.06695	0.5
106.07361	2.1
107.04920	0.6
107.08587	6.0
113.02378	0.8
115.05436	2.9
116.52838	0.8
117.07036	7.2
118.04132	2.5
119.08572	100.0
120.05590	1.5
120.08916	2.1
121.06396	2.5
121.10114	2.9
121.44343	0.5
125.53374	0.8
127.16390	0.5
128.06238	1.1
129.06972	0.7
130.07802	0.6
130.52586	0.9
131.04921	0.8
131.08572	7.3
132.09320	1.8
133.06523	3.5
133.10123	49.9
134.06108	0.6
134.07123	1.3
134.10486	1.5
135.02159	0.4
139.53085	1.2
143.08536	2.7
145.06480	1.0
145.10037	0.8
146.03606	1.8
146.07242	2.1
146.10887	3.0
146.53886	1.4
159.11732	2.9
159.12859	0.6
161.05975	17.9
161.07216	0.9
161.08231	1.4
161.09595	16.7
161.13246	84.4
162.05397	1.4
162.06581	0.7
162.13623	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.3
53.03947	1.5
55.01867	4.7
55.05507	0.5
56.05017	0.3
57.03447	0.3
59.04991	0.5
59.06104	0.5
60.04521	0.5
66.04719	1.5
69.71235	1.1
69.71651	1.0
71.52522	0.3
75.50961	0.3
77.03913	0.4
78.93092	0.3
79.05490	16.8
85.02924	0.5
86.06083	0.3
87.05604	0.3
89.03909	0.9
90.04694	2.5
91.04961	0.4
91.05480	5.0
91.89567	0.3
92.02627	0.7
93.04518	0.4
95.04962	4.8
97.02897	0.3
102.04678	0.6
103.05464	22.8
104.05762	0.4
105.07024	100.0
106.06694	0.5
106.07349	2.3
107.04954	0.7
107.06079	0.4
113.02368	0.5
115.05449	25.4
116.05800	0.7
117.07009	0.8
118.04156	17.9
119.01971	0.5
119.08570	3.6
120.05584	0.6
120.08105	4.2
121.06404	1.3
131.04909	4.8
131.08516	0.4
132.05745	1.5
133.06483	58.3
133.10097	2.3
134.06918	2.2
142.71327	0.3
143.04913	0.8
143.06013	4.3
143.08519	0.6
146.03625	3.2
146.07259	0.8
161.05974	18.3
161.08200	1.0
161.09567	5.2
161.13268	2.2
162.05380	0.4
162.06520	0.4
162.09077	0.4
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
53.03941	1.3
55.01867	0.7
55.05507	8.4
56.96564	0.7
57.03446	0.7
59.04991	0.6
59.06128	0.9
60.04535	1.2
67.05498	2.3
69.03427	1.3
69.07063	12.6
71.00095	1.6
73.02853	0.6
74.06065	0.9
79.05481	3.7
81.07049	5.9
84.04502	0.7
86.06081	0.8
87.04450	0.9
87.05583	0.9
91.05476	10.5
93.07021	2.9
93.40569	0.7
95.05003	0.7
95.08610	1.2
97.02898	1.4
97.07698	0.8
101.79440	0.5
101.95050	0.6
102.05550	0.9
103.05451	2.1
105.07025	62.2
106.07355	1.4
107.08586	3.1
113.02394	1.2
115.03913	1.1
115.05450	3.3
117.07025	3.5
118.04137	1.4
118.06599	0.6
118.07774	0.6
119.01884	0.9
119.08575	100.0
120.05615	1.2
120.08894	1.9
121.06395	2.2
121.10133	1.3
128.06235	0.8
131.08554	6.2
133.06477	4.9
133.10126	33.5
134.07129	1.4
134.10478	1.5
143.08563	1.1
145.10117	0.7
146.03630	1.7
146.07240	1.4
146.10915	2.6
159.11713	3.3
161.06030	4.5
161.08160	2.4
161.09587	8.7
161.13249	91.1
162.05499	2.2
162.13571	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02365	0.4
53.03956	1.6
55.01865	4.2
55.05510	1.0
56.96549	0.5
57.03435	0.5
59.06120	1.5
60.04520	1.0
66.04709	1.5
67.05487	0.5
69.03423	1.3
69.07051	0.8
70.06567	0.5
71.58982	0.7
72.08144	0.4
73.02921	0.5
74.06071	0.6
77.03909	0.6
78.08493	0.3
79.05488	17.5
81.03409	0.5
81.07059	0.9
82.05326	0.3
84.04505	0.7
85.02888	0.6
86.06078	0.5
87.04458	0.4
87.05582	0.7
88.02221	0.3
89.03928	0.6
90.04701	1.9
91.05479	6.5
92.02608	0.6
93.04527	0.7
93.07041	0.9
95.04967	5.0
95.08605	0.9
97.02886	0.8
97.07619	0.4
100.07602	0.5
101.07166	0.8
102.04700	0.7
102.05532	0.9
103.05460	21.7
105.03382	1.0
105.04533	1.0
105.07022	100.0
106.07340	2.5
107.04950	1.2
107.06055	0.5
113.02331	0.9
115.05446	27.9
116.05790	0.6
116.07088	0.6
117.07008	1.2
118.04151	17.4
119.01920	0.6
119.08573	7.6
120.05621	1.6
120.06403	0.3
120.08099	4.5
121.06393	2.2
121.10159	0.4
128.06172	0.7
131.04915	5.4
131.08572	0.9
132.05695	0.8
133.06482	59.5
133.10129	5.7
134.06894	2.5
143.03355	0.4
143.04944	0.9
143.06026	4.1
143.08556	1.3
144.06569	0.4
146.03629	5.7
146.07222	1.7
159.11775	0.4
161.05968	22.5
161.08174	2.4
161.09592	10.9
161.13274	5.0
162.05402	1.5
162.09044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
53.89473	2.8
55.01863	8.9
55.05491	5.2
56.04218	2.9
56.05023	11.8
56.15247	2.5
56.96558	18.9
57.03425	14.7
57.07056	3.9
58.06590	7.7
59.06120	16.1
59.16458	2.6
60.04513	18.7
60.95835	3.2
61.02911	5.4
67.05479	9.0
68.05011	4.4
69.03424	12.5
70.06590	15.3
70.86038	3.4
70.86384	6.2
71.01361	3.6
71.04989	4.8
71.95252	3.1
72.04497	6.8
72.08154	6.5
74.06078	6.8
75.04465	3.8
75.05574	3.1
79.05470	6.6
81.07040	3.2
83.04977	8.1
83.06071	4.9
84.04480	10.5
84.08125	5.9
85.02893	14.3
85.06528	6.7
86.06056	9.6
87.04456	8.1
91.05464	9.4
95.04966	3.2
97.02874	13.3
97.07637	5.9
98.06013	9.7
98.97574	100.0
100.03945	4.2
100.07585	5.5
101.00876	11.1
101.02392	5.3
101.07154	6.5
102.05544	13.5
105.07021	40.4
111.04480	3.4
112.07619	4.2
113.02382	10.4
115.03906	5.9
115.05400	4.4
116.98615	75.1
117.07053	3.4
119.01911	87.1
119.08573	20.0
120.02046	7.2
120.06536	3.8
120.97906	5.1
121.06397	3.3
128.07098	17.5
128.09386	3.7
133.06494	16.6
133.10121	16.8
134.07089	6.8
134.91748	2.8
134.99641	47.4
137.02939	38.1
138.98920	6.5
142.03435	5.6
143.01874	15.6
143.08209	9.5
144.06499	6.7
146.03618	2.7
146.07233	5.1
149.50407	2.9
150.07635	5.0
153.00705	4.2
158.99660	33.3
161.02969	30.9
161.04579	8.2
161.05887	16.7
161.07092	6.6
161.08105	6.7
161.09395	34.7
161.13251	13.8
162.05495	9.2
177.00705	65.3
179.03935	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.96562	1.9
57.03436	0.2
58.99857	0.4
60.00638	0.2
60.95134	1.4
60.95842	0.3
67.05482	0.4
69.03410	0.1
70.28107	0.4
71.95237	0.1
72.04479	0.1
72.08138	0.2
77.00887	0.5
78.92420	0.2
78.96188	0.1
81.03414	0.1
82.01434	0.4
82.99847	0.6
83.04968	0.4
84.08119	0.2
85.01376	0.2
86.09698	0.1
86.99363	0.1
88.51691	1.1
89.01725	0.2
89.51599	0.2
93.07003	0.2
96.04408	0.1
96.50553	0.2
96.97252	0.2
97.02869	0.2
97.52212	0.2
98.01396	0.5
98.51462	0.2
98.97573	3.5
100.02484	1.6
100.97180	0.3
101.00863	8.4
101.02552	0.3
101.52456	1.5
101.97147	0.2
101.97747	0.3
102.00894	0.9
102.02414	0.3
102.51447	0.6
102.96854	1.1
103.00658	0.6
103.02434	1.3
104.10715	0.1
105.00354	0.2
105.06989	0.2
107.05252	1.1
107.53085	0.1
107.55369	0.2
108.46481	0.1
109.02860	0.2
109.52190	1.8
110.02242	0.6
110.52058	0.2
111.02161	0.4
111.04434	1.6
111.51994	0.2
112.01120	0.5
112.04720	0.2
114.51386	0.6
115.97026	0.2
116.05769	4.0
116.51152	1.3
116.55866	0.7
116.98609	3.8
117.00385	0.2
117.01216	0.4
117.02002	0.2
117.51031	0.3
118.03510	1.4
118.52711	0.2
119.01909	100.0
119.96076	0.1
119.98003	0.2
119.98788	3.3
120.01988	8.5
120.97897	1.5
120.98799	0.2
121.01637	1.8
121.02376	0.2
121.03489	0.9
122.52959	0.4
123.51919	2.0
124.01199	0.8
124.01990	0.4
124.51891	0.2
124.97533	0.7
125.02551	0.3
125.51659	2.4
126.00848	1.5
126.01764	0.7
126.04007	0.5
126.50845	0.3
127.47800	0.4
127.56558	0.7
128.01956	0.3
128.50085	0.1
128.51115	0.4
129.01173	0.2
129.03865	0.2
129.04715	0.7
130.08578	0.1
130.54097	0.3
131.01826	0.3
132.99977	0.2
133.01633	4.5
133.03358	0.3
133.51700	0.9
133.98091	3.1
134.01517	0.5
134.50414	0.3
134.97992	0.3
134.99673	4.8
135.01305	1.0
135.02371	0.2
135.51974	0.7
135.99937	0.2
136.01091	0.2
136.02026	0.3
136.04477	0.2
136.48337	2.0
137.02942	54.5
137.48232	0.2
137.51648	3.3
137.99846	5.8
138.00749	0.3
138.01707	1.0
138.03040	4.8
138.49825	0.1
138.51547	0.5
138.98938	1.4
138.99902	0.3
139.02550	0.8
140.00102	0.1
142.03481	5.7
142.98605	0.5
143.00319	0.3
143.01854	0.4
143.03615	5.4
144.03204	1.5
144.05011	0.3
144.52422	3.1
145.02502	0.8
145.48877	10.0
145.52274	0.3
146.48712	0.8
146.52180	3.3
147.01317	2.1
147.02332	0.6
147.04994	0.7
147.51311	0.3
147.52258	0.3
147.99171	0.4
148.01260	0.3
149.00905	0.2
149.02789	0.3
149.50505	0.2
151.00882	0.3
153.00810	1.3
154.49390	1.3
156.00850	0.5
156.02017	1.5
156.03201	0.2
156.51968	0.6
156.97513	0.3
156.99712	1.1
157.01756	0.2
157.03337	0.2
157.99696	0.2
158.01311	0.8
158.02992	0.3
158.52167	0.4
160.04552	2.5
161.01442	1.9
161.02939	5.9
161.04630	3.2
161.09613	0.2
162.01549	0.4
162.03043	0.4
162.04301	1.0
162.99280	0.2
163.01279	0.2
165.06161	0.2
166.05228	0.2
174.02444	0.3
174.98558	0.4
176.02473	0.6
177.00948	3.0
178.01019	0.6
178.05592	0.1
179.00702	0.4
179.02490	2.4
179.03990	9.7
179.05589	0.5
179.98993	0.2
180.02550	0.5
180.04108	0.4
180.05460	0.3
181.02354	0.3
184.03000	0.4
184.04509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46465	0.2
55.75154	0.3
56.05038	0.5
56.96554	1.3
57.03426	0.4
58.99860	0.3
59.06121	2.7
60.04522	1.0
62.02710	0.2
69.03444	0.3
71.32668	0.5
75.05614	0.5
82.99861	1.0
83.02222	0.2
83.06118	0.3
84.04509	0.4
85.02914	0.2
85.07654	0.6
86.06071	0.6
97.07683	0.4
98.97581	0.8
99.05568	0.3
99.97900	0.4
100.02459	1.6
100.07603	0.5
100.97182	0.7
101.00864	10.3
101.07114	1.0
101.95007	0.3
102.02236	0.3
105.07002	0.4
109.49934	0.3
111.04430	0.6
116.05776	1.3
116.98618	0.9
117.06602	0.3
117.98970	0.5
118.03521	5.8
118.06542	0.7
118.96777	0.8
119.01913	100.0
119.96055	0.3
120.01999	2.4
120.03242	0.6
121.01558	1.2
121.02420	0.4
121.03459	0.4
124.02426	2.2
128.06192	0.3
133.98074	0.3
134.99677	0.8
135.03123	0.3
135.99966	0.5
136.02821	1.4
136.04547	6.2
136.48299	0.3
136.99263	0.7
137.02953	51.7
137.99835	0.4
138.03055	1.3
138.04199	0.6
139.02629	0.5
142.03490	54.9
143.01941	0.4
143.03683	2.9
143.08150	0.6
145.48856	0.5
153.00723	0.4
154.03717	0.3
154.96487	0.3
158.03014	0.3
159.06187	0.4
160.04547	56.2
161.03006	2.1
161.04878	2.2
161.09570	0.6
165.05099	2.5
178.05594	18.3
179.03951	4.2
179.05502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
54.03481	0.6
55.01878	1.1
55.05508	6.7
56.05029	8.0
56.96561	20.7
57.03435	7.7
57.04576	1.4
57.07096	1.8
58.02965	0.9
58.06590	4.0
59.06118	14.5
59.06390	0.9
60.04522	25.1
61.02930	0.8
64.28487	0.7
67.05488	3.5
68.05038	1.6
69.03437	1.5
69.04560	0.9
69.07060	7.5
69.58163	4.8
70.02968	1.1
70.06587	10.3
70.67584	0.6
71.05005	2.8
71.06130	2.9
71.95283	1.9
72.04516	3.1
72.08176	2.2
73.02963	0.7
73.04076	0.5
74.06068	6.5
75.04491	1.0
75.05593	3.0
75.12593	0.6
76.04014	1.7
76.93379	2.3
79.05488	3.0
81.03426	2.6
81.04549	1.9
81.07053	28.2
82.02975	0.7
82.06605	1.0
83.04985	1.2
83.06098	7.4
84.04502	4.9
84.08155	2.0
85.02901	3.2
85.04048	0.9
85.06536	0.9
85.07690	1.5
86.06071	1.0
86.08445	1.2
86.09691	6.9
87.05585	27.1
88.07635	1.4
91.05455	1.2
93.07046	0.6
94.06580	0.8
94.94441	0.8
95.04982	1.2
95.06103	2.6
95.08592	9.2
96.04478	1.4
96.08150	0.8
97.04036	0.7
97.06555	1.4
97.07674	2.3
97.96830	0.6
98.06055	5.4
98.07193	4.2
98.09689	23.7
98.97578	47.2
99.04449	3.8
99.05571	7.8
99.08086	23.8
99.09131	1.0
100.03976	1.4
100.05158	0.9
100.07621	4.2
101.07147	1.3
102.05534	1.4
102.09183	2.8
103.05486	0.8
109.02863	1.0
110.01299	1.1
110.07163	1.6
111.05583	1.8
111.09187	1.7
112.03968	0.7
112.05082	0.6
112.07616	6.5
113.05965	2.2
113.07143	4.5
113.09585	0.8
114.05537	0.9
115.08701	1.6
116.07080	3.1
116.08210	2.1
116.10745	5.4
116.97244	3.2
116.98613	72.8
117.06651	2.6
117.95967	1.9
117.98963	0.7
119.01829	0.9
122.07101	1.0
123.05540	1.3
123.08060	2.3
123.09198	0.7
123.53632	0.7
124.08695	0.9
125.07095	1.0
127.03928	0.8
128.02293	0.7
128.07039	0.9
128.10724	7.4
128.98634	0.9
130.06525	8.5
130.08664	1.1
131.04945	1.3
131.08514	2.4
134.99651	100.0
135.97012	2.9
136.00024	1.6
140.00226	3.1
140.07039	4.3
140.08154	3.0
140.10667	3.2
140.98010	0.7
141.01810	2.1
141.05537	1.1
141.06529	3.2
141.09076	3.0
141.10211	2.5
143.08507	0.9
149.01213	1.4
152.97017	0.9
153.00700	26.9
158.00066	0.8
158.01263	8.8
158.06111	3.2
158.08104	5.5
158.09572	24.2
158.11743	28.2
158.12817	1.1
158.15341	5.3
159.04393	0.9
159.06554	0.8
159.07913	1.7
159.09944	1.3
159.11671	3.9
176.02292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.9
57.97330	0.5
63.59076	0.3
68.10205	0.4
70.82664	0.9
71.48388	0.3
71.95274	2.3
85.10732	0.3
90.19504	0.4
96.50550	0.4
98.97579	93.7
99.97910	0.8
116.98614	100.0
117.98949	0.5
118.03522	0.9
119.01906	1.1
128.08537	0.3
132.49850	0.3
132.96460	1.8
134.03023	1.2
134.99654	70.5
136.00050	0.7
140.00163	3.0
141.50211	0.5
141.96965	4.5
150.97499	1.5
152.04071	0.4
153.00696	11.3
153.47775	1.3
158.01254	5.2
158.09645	0.5
176.02332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
55.01867	2.8
56.96549	1.7
57.03431	1.1
58.06578	0.3
58.13716	0.3
59.06116	0.8
60.04492	0.6
62.60835	0.3
68.05009	0.6
69.07059	0.8
70.06588	5.4
71.40381	0.9
79.05492	0.6
80.05015	0.6
81.03404	0.8
81.05792	0.8
83.06083	0.5
84.04510	3.8
85.82449	0.3
87.05582	1.2
94.06563	15.0
95.06804	0.5
95.07344	3.9
96.04485	15.8
96.07551	0.5
96.08133	7.3
98.06049	11.2
98.97573	6.1
99.05592	0.6
102.05538	0.9
108.75565	0.3
112.07587	2.1
112.55734	0.9
114.05522	19.1
116.98615	6.9
122.06022	5.2
130.06514	0.6
134.98624	0.5
134.99649	7.2
135.06758	0.3
138.05478	1.4
140.07056	100.0
141.07445	1.9
142.97234	0.3
153.00699	1.2
158.01274	0.4
158.08121	39.1
159.08429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03944	1.4
55.01864	1.5
55.05262	1.3
55.05505	22.1
57.03434	4.9
57.07055	2.5
59.04982	4.2
65.03929	2.2
67.05499	66.2
69.07073	6.3
70.88573	1.9
70.88956	2.0
71.01346	13.3
71.04987	81.1
72.93782	6.9
77.14476	0.8
79.05486	5.5
81.03396	1.5
81.07051	43.5
82.06573	1.9
82.07378	1.2
83.04963	3.6
83.08602	1.7
85.06528	2.7
91.05453	3.4
93.07030	7.8
95.04968	10.9
95.08598	61.8
99.04444	66.3
99.08073	6.6
101.05980	2.3
107.08577	3.9
109.06492	6.1
109.10146	100.0
110.06037	6.7
110.10435	1.3
111.08070	7.0
113.06021	8.1
113.96381	6.1
117.67654	0.9
118.00314	0.8
119.08552	2.8
127.08671	2.0
131.97403	3.5
137.09621	12.6
150.96854	2.6
155.07040	1.3
155.08041	5.4
155.10649	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	155.0816
Annotation	cyclo-L-Prolylglycine
Peak:m/z	Relative Intensity
50.83136	0.7
55.05523	1.7
56.05037	4.5
56.96556	0.9
61.33662	0.6
65.62364	0.6
67.05516	2.1
69.97655	2.0
69.98058	1.7
72.93799	1.2
75.22619	0.7
80.05022	1.7
82.06579	27.1
86.15451	0.7
92.04994	1.3
99.09206	2.2
109.07639	40.6
109.41045	0.7
110.06041	92.5
110.85426	0.7
111.04428	0.8
111.06367	2.0
121.01535	1.0
127.08675	41.1
138.05515	1.2
150.00711	0.7
150.96869	1.5
155.08150	100.0
156.08496	2.2
170.48888	0.7
173.09222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.71138	1.1
53.03938	3.4
54.03463	1.1
55.01862	2.7
55.05255	2.3
55.05505	29.6
55.93504	1.3
56.05030	5.0
56.96551	1.6
57.03428	7.6
57.07070	24.0
59.05001	3.9
59.06125	2.7
60.04527	1.3
65.03934	2.8
67.01815	1.4
67.02973	1.0
67.05499	86.6
68.05033	2.1
69.03416	5.0
69.07061	9.5
69.66453	2.2
69.66862	5.5
70.95863	9.3
71.01351	16.4
71.04987	89.8
72.04553	1.2
72.08153	1.7
72.93782	85.8
73.06538	2.0
73.93845	1.5
74.04795	1.6
74.06043	1.2
79.05486	11.5
80.05012	2.6
81.03420	4.7
81.07051	64.6
82.06567	21.1
83.04980	9.8
83.08633	2.9
84.04469	1.2
84.08147	1.6
85.06529	13.4
85.07670	2.0
86.06024	1.7
86.09712	1.8
87.05582	1.3
88.96906	3.2
90.94820	21.1
91.05468	7.6
92.05014	1.8
93.07038	10.8
95.04962	25.9
95.05962	1.2
95.08599	64.7
96.05620	2.8
96.08936	1.5
97.03991	2.0
97.06503	4.3
97.07659	1.5
97.10172	1.5
97.86787	1.3
98.06046	1.2
98.07166	3.6
98.20773	1.4
98.98405	2.8
99.04448	67.6
99.08060	5.6
101.05987	1.9
107.08590	3.6
108.95848	5.7
109.02885	7.3
109.06513	23.9
109.07635	26.4
109.10146	100.0
110.06034	61.3
110.07171	2.9
110.10512	2.4
111.04435	6.2
111.05621	1.4
111.06363	1.5
111.08078	9.9
111.98473	3.2
112.01585	3.3
112.08731	4.1
113.06008	9.8
113.07140	1.1
113.08237	1.4
113.09609	3.1
113.95586	2.4
113.96391	49.0
114.06642	4.6
119.04980	1.7
119.08571	4.2
123.04406	3.0
127.03904	9.2
127.07582	3.5
127.08654	26.1
129.05479	1.4
129.99486	2.9
131.97427	52.6
132.95799	7.0
132.97427	1.4
137.02325	1.5
137.05997	8.1
137.09618	16.1
137.13283	2.2
138.05484	3.9
138.06592	3.2
140.04623	2.0
149.97253	1.5
150.96889	23.8
154.98994	6.2
155.03394	9.7
155.07004	15.3
155.08170	60.5
155.10632	16.2
155.12901	4.3
155.14232	2.8
155.97420	1.5
156.06480	2.1
157.41235	1.3
173.09280	1.7
173.98477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0814
Annotation	cyclo-L-Prolylglycine
Peak:m/z	Relative Intensity
53.03953	1.6
55.01871	4.0
55.05505	4.8
55.93513	0.6
56.05025	5.1
56.96562	20.8
57.03430	6.4
58.99863	1.0
59.04993	0.6
60.04518	0.5
60.95853	1.3
61.02924	4.9
65.03944	1.7
67.01859	1.2
67.04244	0.6
67.05500	11.8
67.51069	1.0
68.05036	1.4
68.99780	1.1
69.03415	4.9
69.07081	0.9
70.06584	1.8
70.73964	1.5
70.95857	3.0
71.01353	1.6
71.02972	0.9
71.04990	2.3
71.95262	0.6
72.04527	1.0
72.08148	1.3
72.93784	17.9
73.02908	3.4
74.42508	0.4
74.97593	1.1
75.01057	0.5
77.00901	2.4
78.52962	3.1
79.01893	0.5
79.05447	1.0
80.05006	2.6
80.52713	0.9
81.03413	6.4
81.07055	5.2
82.01414	2.9
82.06573	30.0
83.00771	0.8
83.04973	6.5
83.06129	0.7
83.06888	0.8
83.08627	0.5
84.01567	0.6
84.04504	2.5
84.08158	0.9
84.99261	0.7
85.02890	4.9
85.06544	1.5
86.03222	0.5
86.03702	0.8
86.06077	2.3
86.52691	1.6
87.00834	0.8
87.53489	1.5
88.02677	0.6
88.96902	1.9
88.99149	0.5
89.00801	1.0
90.94825	7.4
91.00507	1.7
91.02396	0.8
91.03234	0.6
91.05463	1.2
92.01304	1.9
92.04989	1.5
92.52688	2.1
93.07029	0.8
93.53493	0.5
95.01329	3.9
95.01895	0.9
95.04949	7.4
95.06001	0.5
95.08604	3.1
95.52342	0.9
96.04493	3.5
97.02322	0.8
97.02901	2.1
97.06536	0.9
97.99196	1.1
98.01289	1.3
98.97580	1.5
98.98453	1.4
99.04443	4.1
99.09216	2.0
99.53457	0.8
100.01044	1.4
100.02471	32.3
100.05151	0.5
100.51569	0.6
101.00864	4.9
101.02557	1.6
101.53214	1.4
102.02337	1.0
103.00509	0.7
103.01354	1.0
103.02436	1.0
104.01266	0.5
105.00339	1.1
105.51649	0.6
106.00993	0.8
106.02811	0.6
107.06074	0.5
107.53201	0.7
108.95850	2.4
109.02866	8.4
109.03546	0.5
109.06561	2.7
109.07632	39.0
109.10134	4.7
109.52136	0.5
109.52905	0.7
110.01278	1.6
110.02401	2.1
110.06033	100.0
110.07116	7.4
111.02016	1.0
111.04446	5.3
111.05626	0.5
111.06371	2.1
111.08090	1.7
111.98475	1.8
112.00892	2.3
112.01605	1.9
113.00846	1.2
113.02421	2.4
113.06000	4.1
113.53171	1.2
113.96394	9.6
113.98649	0.5
114.04031	3.2
114.05544	0.8
115.02440	1.5
115.03320	0.5
116.00200	1.0
116.98599	1.9
117.01918	1.0
118.01088	1.7
118.03513	33.0
119.01908	38.4
119.03627	1.8
119.08538	0.5
120.01945	0.6
121.01540	4.8
121.03445	1.2
122.53699	0.8
123.04118	1.8
123.51802	0.8
123.52701	0.5
124.02554	0.7
126.02476	0.5
126.05515	0.8
127.03902	13.0
127.07612	2.2
127.08662	40.2
128.02423	0.4
128.07076	1.5
128.09021	1.1
128.52806	0.6
128.97781	0.8
128.98648	0.6
129.05443	1.4
129.99484	1.7
130.04669	0.5
131.00256	0.6
131.01897	11.7
131.54303	0.6
131.96016	0.5
131.96312	0.6
131.97427	12.1
131.99658	1.7
132.01999	2.0
132.05060	7.4
132.52283	1.2
132.95853	3.4
133.01599	1.2
133.03450	8.0
133.05101	0.7
134.99637	2.1
136.04553	0.9
137.02982	17.5
137.05943	2.1
137.07043	1.0
137.09567	1.5
137.98354	1.6
138.05466	4.7
138.06400	0.8
138.09125	2.9
140.04617	0.8
141.02719	1.0
141.05043	2.9
142.03485	20.2
144.98032	0.5
144.99799	1.7
145.03458	1.2
146.99640	1.5
149.01184	1.1
149.02945	4.3
149.97174	2.0
150.00728	1.7
150.03064	1.2
150.06093	1.9
150.95688	0.7
150.96878	12.4
151.02643	0.6
151.04510	3.4
154.03522	0.8
154.98962	1.4
155.02003	0.8
155.03387	10.4
155.06998	11.4
155.08131	92.8
155.97377	1.1
156.02835	1.0
156.05034	1.3
156.06493	2.5
156.08678	2.2
156.10150	2.4
158.99641	0.9
160.04544	8.3
160.97531	0.9
161.01289	0.5
161.02939	1.3
162.99069	0.8
165.05055	1.6
168.01454	2.5
168.98019	0.5
168.99850	2.0
172.04498	0.7
172.99159	1.0
173.02930	1.7
173.09236	1.0
173.98456	1.2
174.06081	0.8
174.99106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05256	0.3
55.05507	4.4
56.05035	0.8
56.96544	0.2
57.03428	0.4
57.07068	2.2
58.06593	0.3
65.03923	0.4
67.05500	4.0
68.05013	0.7
69.03415	0.6
69.07056	0.7
70.06578	0.8
71.01347	0.4
71.04990	3.5
71.59852	0.3
71.94086	0.2
71.95261	0.2
72.05315	0.2
72.08147	0.3
72.93788	5.9
79.05492	1.7
80.05006	0.4
80.05840	0.2
81.03401	0.5
81.04485	0.2
81.07050	8.3
82.06578	2.2
82.07366	0.9
83.04966	0.6
83.06084	0.4
83.07347	0.3
83.08600	1.0
84.04492	0.2
84.08111	0.5
85.06528	0.6
90.94819	1.6
91.05453	0.4
93.05756	0.6
93.07015	0.5
94.07363	0.5
95.04957	1.9
95.06059	0.5
95.08596	3.4
96.04455	0.5
96.08113	0.4
97.05259	2.1
97.07663	0.3
98.06050	2.3
98.09686	1.4
99.03820	0.2
99.04449	3.0
99.05521	0.3
99.08095	0.2
101.60258	0.2
107.08604	0.3
108.08102	2.1
108.08858	0.5
108.95856	0.3
109.02885	0.5
109.06509	5.0
109.07628	2.1
109.10148	4.5
110.06034	6.3
111.04433	0.5
111.06815	2.5
111.08101	0.6
111.09178	0.5
112.04746	0.3
112.08663	0.4
113.05914	0.4
113.07150	0.3
113.96391	3.6
119.08583	0.3
123.04391	0.5
124.07565	0.2
125.08347	0.6
126.05463	0.2
126.09162	2.6
127.03899	0.7
127.07630	0.3
127.08669	1.6
131.97430	4.3
136.03888	0.2
136.07568	0.7
136.08566	0.2
136.12029	0.5
137.02345	0.3
137.05992	0.4
137.06999	0.3
137.09608	0.9
138.05489	0.5
139.06270	3.5
139.07527	0.6
148.97301	0.3
150.06238	0.2
151.12946	0.2
152.07076	0.4
152.88881	0.2
154.08615	100.0
154.99042	0.4
155.03383	0.6
155.06958	0.8
155.08119	2.7
155.09016	2.4
155.10660	0.5
155.14305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00295	1.2
53.03938	3.7
53.39653	0.7
55.01867	5.2
55.05257	1.1
55.05507	16.4
56.05026	1.1
57.03421	3.3
57.07057	2.3
58.44402	0.7
59.05000	10.9
61.73173	0.7
65.03940	14.1
66.02098	1.0
67.03006	1.0
67.05502	9.2
68.05014	2.2
69.03420	3.6
69.04525	1.0
69.07064	13.5
69.81938	5.7
70.06581	4.0
70.09564	0.8
70.94254	2.9
71.04990	43.0
71.06101	1.3
71.94081	1.5
72.08159	1.7
73.06156	1.4
73.06553	22.8
79.05489	32.2
80.04994	0.9
81.03416	1.2
81.04517	1.2
81.07053	100.0
82.07376	1.9
83.04966	7.5
83.06087	2.2
83.08606	2.3
84.04453	0.7
84.08154	1.0
85.06544	1.5
85.07634	1.4
88.95314	0.9
91.04952	1.3
91.05479	15.3
93.03394	5.8
93.07037	53.7
94.06592	0.8
95.04974	11.4
95.06086	2.9
95.08598	10.7
96.04454	0.9
97.02907	1.5
97.06525	9.8
97.07656	1.4
98.06054	1.0
105.07005	6.5
107.04955	6.7
107.08589	63.5
108.05632	1.4
108.08913	2.0
109.06520	9.6
109.07602	3.7
109.10146	9.5
110.03642	3.4
110.07160	2.1
111.04437	32.6
111.05573	1.4
111.08069	12.7
111.09215	2.9
111.96881	2.2
112.07608	1.2
112.08749	6.0
113.05886	1.7
117.06993	1.8
119.06071	1.0
119.08531	1.2
121.02871	15.2
123.04451	1.0
123.08057	10.9
124.08768	0.8
125.05984	14.6
125.09618	7.2
126.06534	1.2
126.10198	0.8
129.97913	3.6
134.04491	1.3
135.04456	4.0
135.08058	17.0
135.09001	0.7
135.11690	32.9
136.07597	1.5
136.08650	2.2
138.03087	1.4
148.97455	1.0
153.01917	1.6
153.05464	16.2
153.06522	1.1
153.07770	1.2
153.09090	13.7
153.10196	1.0
153.11342	10.4
153.12735	19.1
154.04869	1.3
154.08543	1.0
154.09683	2.6
171.52969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00296	2.4
53.00876	1.1
53.03933	4.2
55.05504	18.8
57.05217	1.2
57.07068	2.4
59.04993	8.7
64.82761	1.1
65.03930	7.6
66.59061	1.1
67.05497	8.3
69.03418	1.5
69.07063	22.0
70.06570	2.5
70.94244	1.4
71.01018	2.5
71.04989	44.1
73.06171	1.3
73.06555	23.9
79.05486	24.6
81.07050	100.0
82.07377	2.3
83.04970	3.8
83.06083	1.6
83.08619	2.8
85.06528	1.3
88.18092	1.2
91.05481	9.2
93.03403	3.6
93.07036	49.4
95.04980	6.8
95.06081	1.5
95.08585	9.5
97.06520	10.1
97.07686	1.2
105.07008	3.0
107.04956	3.3
107.08580	42.1
108.08872	1.7
109.06508	3.7
109.07614	1.7
109.10139	8.3
110.03622	2.1
111.04442	13.1
111.08075	5.8
111.09146	2.1
111.96843	1.3
112.08731	2.6
113.05826	2.0
119.08580	1.5
121.06366	1.0
125.05984	7.4
135.04410	2.8
135.08051	1.9
135.11681	33.1
136.08653	2.8
153.01782	1.3
153.04140	1.0
153.05426	5.2
153.07726	1.3
153.09135	2.7
153.11357	6.1
153.12732	16.7
154.04988	1.3
154.09782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	3.5
53.86689	2.1
55.01855	2.6
55.05510	20.1
56.96556	2.8
57.03436	2.8
57.07071	3.1
59.05009	9.3
65.03938	34.9
67.05502	16.8
68.05015	3.7
68.99770	2.3
69.03413	7.2
69.04575	2.2
69.07060	25.3
70.06597	2.9
70.92239	5.7
70.94244	6.3
70.95856	3.8
71.04986	47.4
71.94087	2.1
72.02695	2.3
73.06556	20.6
79.05485	30.7
81.03381	3.0
81.07051	100.0
82.07383	3.9
82.62838	2.1
83.04976	12.8
83.08604	3.6
84.08155	2.5
88.95313	3.1
91.05469	13.1
93.03408	15.8
93.07037	69.5
93.07628	4.0
95.04977	14.5
95.06068	3.5
95.08604	26.0
97.06524	20.1
105.07040	4.3
107.04927	8.6
107.08590	65.4
109.06503	11.1
109.07654	2.7
109.10142	23.5
110.03647	6.0
110.07146	2.8
111.04435	70.2
111.08056	13.0
111.09181	2.3
111.96877	3.5
112.04819	2.6
112.08740	9.7
112.96676	2.6
119.08616	2.5
123.04422	2.0
125.05984	29.0
125.09642	5.2
129.97911	3.4
135.04427	12.9
135.08047	5.7
135.11688	45.1
136.07562	2.3
136.08694	2.7
138.03069	2.2
143.86636	1.7
153.01846	5.3
153.05461	31.1
153.06599	3.8
153.09151	9.9
153.10222	2.0
153.11342	13.5
153.12730	34.6
154.04935	4.5
154.08621	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.29742	1.0
50.60784	0.9
53.00304	1.9
53.03938	2.4
55.05508	12.2
57.07061	1.6
59.04987	6.0
61.77546	0.9
65.03928	3.9
67.05497	4.2
69.07065	13.3
69.83828	7.1
70.78793	1.1
71.04990	45.5
73.06166	1.5
73.06551	25.8
79.05056	1.5
79.05487	21.6
81.07051	100.0
82.07369	2.7
83.04967	2.0
83.08611	1.9
91.05481	6.5
93.03400	1.5
93.07035	43.4
93.07623	2.3
95.04987	2.0
95.08594	8.5
97.06519	6.7
98.20812	1.8
105.07030	2.2
107.08586	36.5
109.06494	1.7
109.10149	7.0
111.04443	6.0
111.08046	3.6
125.05994	2.0
135.04366	1.3
135.11674	28.6
153.05423	2.6
153.12732	16.5
162.53075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.54983	0.6
53.03936	1.7
55.01861	1.7
55.05510	6.7
56.85628	0.7
57.03425	1.7
57.07065	1.4
59.04989	1.7
65.03940	10.1
65.14244	0.6
67.05504	10.5
69.03430	3.3
69.07067	10.4
69.30117	0.6
70.06606	1.1
70.94237	1.4
70.95860	0.8
71.04981	2.7
71.62719	0.9
72.08157	1.1
72.11864	0.6
79.05058	0.9
79.05492	11.0
81.03423	0.7
81.07053	15.6
82.06609	0.7
83.04974	7.3
83.06104	0.7
83.08617	2.2
86.92121	0.6
91.05476	8.4
93.03401	4.3
93.07038	73.6
94.07372	2.0
95.04969	4.4
95.06099	1.3
95.08602	60.3
96.08945	1.3
97.06523	11.8
105.07032	3.4
106.90392	0.6
107.04954	2.2
107.08589	100.0
108.08930	2.4
109.06527	4.0
109.07640	0.8
109.10146	14.7
110.03656	2.0
111.04437	25.5
111.08051	3.7
111.09196	1.1
111.96895	1.2
112.08711	2.8
113.05968	0.7
116.98169	0.7
119.06058	0.9
121.02874	1.6
125.05983	11.3
125.09602	1.2
126.06401	0.9
126.10233	0.8
129.97908	1.0
135.04424	1.9
135.08051	2.5
135.11685	47.4
136.07626	1.1
136.08676	1.3
136.12054	1.5
141.58340	0.7
153.05460	7.3
153.06544	1.1
153.09114	2.7
153.11383	4.2
153.12750	23.1
154.04956	1.5
154.09753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.3
55.01861	2.4
55.05506	9.5
56.96552	1.2
57.03439	4.6
57.07073	2.7
59.04989	1.8
62.87993	0.7
65.03940	10.0
67.05502	24.5
69.03429	3.3
69.07069	40.7
70.94267	4.7
70.95869	2.6
71.04985	3.1
71.21899	1.4
71.94102	4.9
71.95267	11.2
73.06565	1.2
75.47295	0.7
79.05492	22.5
80.05009	0.9
81.03407	1.1
81.07056	30.7
83.04983	7.0
83.08635	5.4
85.02929	1.1
85.06528	1.4
87.14688	0.7
88.72781	0.7
88.95285	1.9
88.96912	0.8
91.05490	4.5
93.03394	2.8
93.07046	38.7
93.88816	0.7
94.07410	0.9
95.04965	4.9
95.08610	16.4
97.02900	1.2
97.06533	21.0
105.07040	1.4
106.52786	0.7
107.04943	4.6
107.08591	39.2
108.04494	1.2
109.06516	2.3
109.10154	29.3
110.03643	1.6
111.04462	22.2
111.08072	9.0
111.96866	2.5
111.98489	1.1
112.04762	1.7
112.96708	2.5
119.01776	0.8
119.53371	0.8
125.05984	11.3
125.09648	1.6
126.06353	1.4
129.97925	2.5
130.97748	2.8
130.98730	0.7
135.04454	3.9
135.05406	0.8
135.08035	3.2
135.11691	95.3
136.03915	1.4
136.07558	2.3
136.12065	3.6
136.32359	0.7
138.03105	1.3
138.05016	0.9
139.03964	0.7
148.61658	0.7
148.97409	1.0
152.99365	0.8
153.01872	1.0
153.04256	0.8
153.05476	11.8
153.07460	5.0
153.09207	5.0
153.12743	100.0
153.99275	1.0
154.04932	3.4
154.08641	2.4
154.13071	3.1
155.40950	0.7
164.99896	0.7
172.77774	0.6
173.31175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.77682	1.1
53.03940	3.8
55.01860	1.6
55.05510	18.7
56.99454	0.9
57.03411	1.7
57.07061	1.2
59.04996	9.6
65.03938	12.7
67.05495	7.5
68.05023	1.4
68.99787	1.4
69.03433	5.9
69.07071	12.2
70.06581	2.7
70.94263	1.8
71.04987	38.8
71.09644	1.9
72.08189	0.9
73.06553	25.0
79.05054	1.7
79.05491	28.0
81.03389	1.5
81.07054	100.0
82.07381	2.6
83.04981	13.7
83.08608	3.1
85.06561	1.1
91.05478	8.8
93.03410	5.0
93.07040	44.2
94.07366	1.5
95.04958	11.5
95.06071	2.6
95.08604	11.2
96.08932	1.1
97.05282	1.7
97.06525	10.9
97.07636	1.5
98.06064	1.3
102.12408	1.0
105.07030	3.4
107.04935	4.7
107.08591	41.7
108.08122	1.1
109.06518	10.1
109.07635	2.5
109.10156	6.7
110.03622	1.5
110.06044	2.8
110.07153	1.6
111.04440	22.7
111.06828	2.3
111.08090	9.8
111.09138	2.1
111.96847	1.2
112.08731	6.1
121.02864	16.9
125.05995	11.3
125.09632	3.3
126.06551	0.9
126.09178	2.2
129.97958	1.5
135.04417	2.7
135.08058	4.5
135.11693	33.1
136.07555	2.3
136.08659	2.4
137.16711	1.0
139.06271	3.3
139.07483	1.8
153.05466	9.9
153.07813	1.8
153.09088	6.6
153.10211	2.4
153.11354	7.9
153.12740	18.8
154.05035	1.8
154.08621	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	153.1273
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
53.00303	1.1
53.03931	2.4
55.01854	0.9
55.05504	36.3
56.96566	1.1
57.07065	2.0
59.04977	3.0
65.03611	0.9
65.03934	13.7
67.01845	2.9
67.05499	8.3
67.71844	0.9
68.99791	2.0
69.03426	4.2
69.07060	99.7
70.06570	1.0
70.07394	2.1
70.94257	1.9
71.04986	14.2
71.13567	2.1
71.94077	1.1
71.95255	1.0
73.06544	5.8
73.21434	0.9
79.05486	11.6
81.06576	1.8
81.07049	28.7
82.07384	1.4
83.01295	1.2
83.04971	21.4
83.08609	2.3
91.05450	6.0
93.03398	5.1
93.07034	26.2
95.04957	100.0
95.08595	12.2
96.05268	2.0
97.06529	12.8
105.63770	0.9
107.04922	3.0
107.08588	26.3
109.06494	3.6
109.10150	14.0
110.03616	2.0
111.03699	1.4
111.04432	23.4
111.08065	10.6
111.08826	0.9
111.09182	1.7
111.96879	1.8
112.04727	1.0
112.08703	2.6
119.08578	0.9
121.06454	1.0
123.04367	1.2
125.05984	12.3
125.09579	1.8
130.97723	0.8
135.04385	3.7
135.08054	2.6
135.11674	18.2
136.90056	0.8
153.01788	5.3
153.05463	8.7
153.06598	1.4
153.09091	6.6
153.11362	2.4
153.12720	33.7
154.04993	2.1
154.13161	1.0
171.02808	2.1
173.95120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00297	2.3
53.03932	3.6
55.01851	1.6
55.05503	13.8
59.04995	7.1
65.03926	7.5
67.05495	5.8
69.07065	11.8
70.94232	1.9
71.04988	40.8
71.05605	3.1
73.06551	25.8
79.05485	21.8
81.07050	100.0
82.07392	1.5
83.04981	3.5
83.08630	2.0
85.05929	1.6
91.05463	8.0
93.03381	3.7
93.07035	48.7
95.04962	4.9
95.08594	10.4
97.06511	7.1
105.07035	3.0
107.04949	2.1
107.08589	38.5
108.08878	1.5
109.06491	2.0
109.10142	5.9
110.03613	1.6
111.04438	14.3
111.08073	5.5
112.08765	2.0
112.96674	1.4
121.06456	1.7
125.06005	7.7
125.09587	1.5
129.97856	2.0
135.04408	4.1
135.11688	36.0
138.06766	1.5
153.05472	8.9
153.09088	5.4
153.12720	15.9
159.15599	1.7
165.79436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.71041	1.4
51.08474	1.7
53.00296	1.6
53.03926	4.4
55.01861	3.1
55.05503	13.0
56.96564	2.4
57.03427	2.1
57.07063	5.0
59.04999	9.2
65.03935	31.4
66.04275	1.6
67.05502	11.3
68.05013	3.6
69.03416	5.9
69.06711	2.1
69.07059	19.8
69.50358	15.2
70.06578	3.1
70.94249	8.7
70.95854	1.7
71.04989	42.6
71.94069	2.0
72.27494	1.5
73.06551	19.8
79.05061	2.0
79.05489	25.2
81.03382	1.6
81.07051	100.0
82.07382	1.8
83.04965	9.2
83.06099	2.5
83.08607	3.9
84.04454	1.9
85.06551	1.8
88.95306	1.9
91.05482	9.5
93.03378	11.9
93.06470	3.3
93.07038	51.4
94.07342	2.9
95.04968	13.0
95.06075	6.8
95.08599	19.9
97.02908	1.5
97.06527	22.1
97.07640	2.0
107.04959	8.2
107.08584	52.9
107.18266	1.5
109.06488	6.7
109.07629	2.2
109.10148	21.7
110.03649	5.7
110.07195	2.9
111.04433	68.8
111.08071	11.7
111.09200	3.0
111.96826	2.3
112.07543	1.7
112.08733	7.7
113.05858	1.8
117.04727	1.7
117.05596	1.5
123.04412	8.8
123.61199	1.5
125.05985	38.8
125.09643	3.9
126.10213	2.0
129.97884	4.3
135.04375	4.9
135.08055	4.0
135.10678	2.4
135.11685	44.6
136.08653	2.7
137.02287	1.9
143.86978	1.5
148.97359	1.8
153.01819	3.9
153.05458	29.8
153.06628	1.4
153.09106	7.7
153.11339	11.9
153.12720	35.3
154.04915	4.0
154.08545	3.7
154.09705	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	1.7
53.03938	2.2
55.01856	1.6
55.05508	16.2
57.03409	1.6
57.07064	2.0
59.05000	6.7
63.73914	1.0
65.03931	7.8
67.05504	12.0
68.05008	1.1
69.03407	1.3
69.06715	1.8
69.07061	19.3
70.06564	2.1
70.71149	3.4
70.94237	1.4
70.95818	0.9
70.98849	1.0
71.04988	42.9
71.94075	1.1
73.06161	1.9
73.06547	25.0
79.05057	1.7
79.05486	26.7
81.03375	1.4
81.04564	1.2
81.07050	100.0
82.07370	2.4
83.04947	3.9
83.08591	3.0
85.02908	0.9
85.46359	0.9
91.05481	8.5
93.03392	4.6
93.07037	44.9
94.07339	1.4
95.04967	4.9
95.06019	1.0
95.08601	7.7
97.06514	8.1
97.07608	1.0
105.07027	2.7
107.04939	1.9
107.08585	45.6
108.05561	1.0
108.08900	1.2
109.06494	3.9
109.07631	2.6
109.10151	9.5
110.03645	2.4
110.07138	2.2
111.04420	17.0
111.08079	5.9
111.09197	1.2
111.96854	2.2
112.08719	3.0
113.05860	2.1
113.07076	1.3
118.85284	1.1
119.08574	1.3
125.05965	6.8
125.09627	1.4
129.97856	2.2
135.04361	1.4
135.08031	3.0
135.11678	30.8
136.07561	1.4
136.08607	1.1
136.87190	0.9
137.07092	0.9
153.01825	1.6
153.05539	5.2
153.07793	1.3
153.09096	3.6
153.11336	6.1
153.12724	16.8
154.04947	1.2
154.08557	2.2
154.09709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03922	1.6
54.05224	1.4
55.01870	25.8
55.05504	11.5
57.03422	6.3
57.36366	1.4
59.04999	27.8
65.03937	19.8
67.05504	16.6
68.05003	2.2
68.99779	2.4
69.03430	13.8
69.07061	13.9
69.53761	4.2
69.54183	8.8
70.06587	4.0
70.94245	4.9
70.95857	2.1
71.01326	2.0
71.04990	8.8
71.06100	1.8
71.94106	1.7
71.95287	1.8
72.08142	2.0
79.05491	47.0
79.05958	2.4
81.04555	3.1
81.07057	23.2
83.04974	18.4
83.06078	1.9
83.08619	3.7
85.02868	2.0
85.07670	2.2
91.05477	30.4
93.03395	8.9
93.07034	26.5
94.06541	1.9
95.04962	17.8
95.06075	4.3
95.08610	10.7
97.02891	3.3
97.06538	9.7
98.20737	2.5
99.04440	1.8
105.07024	20.7
107.04951	15.9
107.08590	100.0
108.05704	4.6
108.08916	2.7
109.06510	22.2
109.07644	4.5
109.10147	3.3
110.03649	4.9
110.07186	3.1
111.04438	68.3
111.06853	2.2
111.08064	26.0
111.08823	1.7
111.09203	4.4
111.96875	3.3
112.04807	2.1
112.08733	8.9
112.96754	1.6
113.05848	4.4
115.05460	4.7
117.07009	6.3
119.06045	2.4
123.08057	44.9
125.06007	15.8
125.09633	39.6
126.09071	2.0
129.97937	3.2
133.07587	2.2
135.04437	5.0
135.08047	72.6
135.11693	6.6
136.07544	1.6
136.08553	4.7
146.83096	1.4
153.01785	2.8
153.05473	16.4
153.09106	46.1
153.10355	2.3
153.11331	15.6
153.12718	9.1
154.04939	3.2
154.08565	1.6
154.09697	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.12608	2.0
53.03945	4.3
55.01870	9.6
55.05505	19.3
56.96551	6.3
57.03413	6.2
57.07063	4.8
59.04996	39.5
64.56040	1.9
65.03966	3.3
67.05173	2.4
67.05505	44.3
68.05006	4.7
68.95275	2.0
69.03426	79.5
69.04520	1.7
69.07059	7.2
69.46116	16.4
71.04994	10.9
71.05337	2.3
79.05489	24.5
81.03404	4.9
81.07052	100.0
82.07403	2.7
83.04981	3.1
83.06084	3.2
89.06038	2.1
91.05478	54.1
92.05786	2.2
93.04507	2.4
93.07037	58.6
95.04962	43.5
95.05963	1.8
95.08604	32.9
96.05739	4.2
96.08108	2.4
97.06519	5.6
98.21464	3.7
105.07025	56.8
106.07351	2.4
107.04925	4.4
107.08598	45.7
108.05694	4.1
109.06514	63.2
109.07671	4.6
109.10147	69.8
110.01245	2.9
110.07213	10.3
110.10455	2.4
111.04436	2.4
111.07948	19.5
114.28374	1.8
116.48151	2.2
116.98625	2.0
119.04940	18.4
121.10104	3.4
123.04408	7.8
123.08065	28.6
123.10807	2.4
123.11698	40.2
124.03907	2.3
124.07629	2.3
124.08649	6.7
128.02345	4.4
131.08524	3.5
133.06500	5.2
133.10126	46.4
133.11084	3.8
134.07071	2.7
136.05190	4.1
136.08849	14.0
151.02893	3.3
151.03899	18.0
151.05035	4.5
151.07541	43.8
151.08800	2.6
151.09810	11.5
151.11166	83.2
152.01614	5.1
152.06975	4.5
152.08067	4.0
152.11566	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03933	0.3
55.01859	0.6
55.05509	0.6
56.05026	0.7
56.96297	0.5
56.96560	8.4
57.03432	1.7
57.07061	0.6
58.66157	0.3
61.02911	0.7
63.67368	0.3
65.03932	3.3
67.05495	1.8
68.05019	1.9
69.03402	1.1
69.04544	0.3
69.05795	0.6
69.07040	0.3
70.06585	1.3
70.27064	0.2
70.74452	0.6
70.74821	0.5
70.94236	0.6
70.95855	0.3
71.04985	0.4
71.95258	0.4
73.02890	0.8
74.97635	0.3
77.00754	0.2
77.23174	0.2
79.05474	1.9
80.05008	2.8
81.03391	0.5
81.04527	0.4
81.07049	1.1
82.06570	1.3
83.00780	0.3
83.04964	0.6
83.06091	0.7
84.01575	0.4
84.04485	0.4
84.08160	0.4
84.51292	0.3
84.96016	0.3
85.02885	1.0
85.06516	0.5
89.00741	0.6
90.01546	0.3
91.05457	0.5
92.04990	1.4
93.03387	0.9
93.05738	1.2
93.07019	0.9
94.06563	1.4
95.04941	0.9
95.06076	0.9
96.01530	0.3
96.04478	0.9
96.08109	1.8
97.02878	1.2
97.06503	0.8
97.07651	1.5
97.99169	0.4
98.01231	0.4
98.97574	6.2
99.97900	0.4
104.01246	0.7
105.02055	0.3
106.06550	0.6
106.07325	0.3
107.01826	0.4
107.04952	1.8
107.06074	0.9
107.08585	0.6
108.04460	1.5
108.08090	0.6
109.06492	0.4
109.07631	2.7
109.10148	0.3
110.03540	1.0
110.06032	7.6
110.06811	0.4
110.07143	0.5
110.51432	0.4
110.97547	0.9
111.03698	0.5
111.04433	6.6
111.05277	0.4
111.05530	0.5
111.08014	0.4
111.09198	0.7
111.96857	0.5
112.00945	0.3
112.09980	0.5
113.05872	1.0
116.49518	0.2
116.98617	4.8
117.98958	0.2
118.00988	0.6
119.00153	0.4
119.01828	0.6
121.02793	0.3
122.06023	1.2
123.04433	0.4
123.06785	0.4
124.03928	1.0
124.04785	0.3
124.07590	2.3
124.08421	0.4
125.04699	0.7
125.05968	3.4
125.07071	1.1
126.02586	0.3
127.01534	0.3
128.02295	0.6
128.04501	0.7
128.52449	0.2
128.97781	0.3
128.98616	2.6
129.03909	0.3
129.51772	0.3
131.01854	0.3
131.53174	0.3
134.05991	3.7
134.07114	0.7
134.09682	0.3
134.98621	0.3
134.99655	4.1
135.02954	0.4
135.04401	0.7
135.05449	0.3
135.08192	0.4
135.09157	1.4
138.05502	0.4
140.00128	0.3
146.99632	3.9
147.05022	0.3
150.01862	0.2
151.03865	0.4
152.01712	1.4
152.05714	6.7
152.07042	100.0
152.11711	1.7
153.00656	0.7
153.01845	0.3
153.04060	2.0
153.05437	2.4
153.06395	0.5
153.07538	2.5
153.09058	0.4
153.11301	0.3
153.12729	0.4
158.01198	0.4
158.99620	0.9
159.03320	0.6
159.57585	0.2
161.01219	0.4
161.06532	0.3
162.99216	0.3
165.00691	0.9
170.99579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03937	2.6
55.01873	7.8
55.05506	46.6
56.05040	1.8
56.96543	4.6
57.03420	5.4
57.07053	5.4
58.06581	1.5
59.04738	2.1
59.04999	27.4
61.02917	1.8
65.03931	6.5
65.67102	1.5
67.05499	44.0
68.05005	5.4
69.03423	56.7
69.04511	1.7
69.07051	7.3
69.47578	13.4
70.06580	2.9
71.04986	9.4
77.03936	2.1
79.05492	25.6
80.05008	2.1
81.03406	4.0
81.07053	88.0
82.06563	2.3
82.07384	3.0
83.04974	2.7
83.06084	6.6
85.02924	1.6
89.06013	3.6
90.37028	1.5
91.05476	50.5
92.05773	2.1
93.04518	2.1
93.07038	52.2
93.11145	1.6
94.07366	2.0
95.04970	33.3
95.08601	41.6
96.05708	4.1
96.08110	3.1
97.06525	9.4
97.07629	3.0
98.97569	3.6
99.64615	1.6
105.07024	54.3
106.06547	2.0
107.04948	4.9
107.08585	41.8
108.02119	2.3
108.05724	8.3
108.08890	1.6
109.06512	53.8
109.07668	4.2
109.10150	66.9
110.01278	2.0
110.07198	17.4
110.10487	2.2
111.04466	1.9
111.05544	2.0
111.07942	31.1
116.48147	3.3
116.98643	1.6
119.04920	11.9
121.02859	1.5
121.06510	3.4
121.10133	3.0
122.07124	2.1
123.03616	2.3
123.04462	11.2
123.08066	31.4
123.11698	36.7
124.07630	2.5
124.08665	5.5
124.12064	1.9
124.92330	1.6
128.02336	5.6
131.08548	3.4
133.06500	4.7
133.10129	43.9
134.06033	2.3
134.07069	5.5
134.10466	2.2
136.05238	8.8
136.08841	14.8
146.99614	2.4
150.03035	1.6
151.02850	3.7
151.03946	23.7
151.04999	3.0
151.06276	3.7
151.07533	61.8
151.09787	17.9
151.11168	100.0
152.01634	5.0
152.04443	1.8
152.07059	6.4
152.08049	6.6
152.11572	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	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52227	2.3
53.03939	3.1
55.01849	7.3
55.05501	3.8
56.96559	100.0
57.03432	16.3
61.02923	14.6
67.05502	12.2
68.00291	2.1
68.05007	5.5
68.45309	12.0
68.93562	3.7
68.95280	74.5
69.03419	13.8
70.67972	7.0
73.02904	26.0
74.97593	6.6
77.00780	3.5
79.05479	6.4
80.04955	2.1
81.03401	6.0
81.07030	17.9
81.25686	2.2
82.06507	2.6
83.00761	8.8
83.06068	3.0
83.97604	2.4
84.05587	2.9
84.96021	4.9
85.02893	19.1
87.99984	2.7
88.00485	4.7
88.51582	2.2
89.00761	9.6
89.06017	2.3
90.01540	17.5
91.05456	6.7
92.01283	5.6
93.07047	13.8
94.51548	4.4
95.04944	11.7
95.08606	11.1
96.01535	13.2
96.02090	3.2
96.04493	3.0
96.53114	3.2
97.00480	3.0
97.02879	16.5
97.99167	7.9
98.01274	24.2
98.47092	3.6
98.97567	41.6
99.02044	3.5
99.51258	6.1
100.51521	5.0
101.00749	6.9
101.52341	5.0
104.01261	11.1
104.52832	2.6
105.02043	9.6
105.07019	15.9
106.00986	3.5
106.06625	2.4
106.97673	2.8
107.01800	8.0
107.08567	8.7
107.47611	34.6
107.52307	6.4
108.51817	6.6
109.02880	4.8
109.06480	13.7
109.10151	8.6
109.52081	5.7
110.01263	46.7
110.07147	7.7
110.97580	4.7
111.02069	3.2
111.07919	17.6
112.51469	3.7
115.52048	5.2
115.98149	7.8
116.00215	5.6
116.01257	5.1
116.48138	75.0
116.53468	14.6
116.98605	37.9
117.02025	3.2
117.52352	10.2
118.52592	6.3
118.98429	9.5
119.01789	69.8
119.03047	3.5
119.51990	2.3
121.52047	10.1
123.04435	5.6
123.08074	9.2
123.11726	4.3
124.98715	4.7
125.05386	2.9
125.48646	18.5
127.03910	4.1
127.98949	17.2
127.99788	3.4
128.02304	80.5
128.98572	16.0
129.03098	6.8
129.90215	2.2
130.52589	15.3
132.47365	2.5
133.10104	7.8
134.01230	2.8
134.99649	19.4
136.99445	6.4
137.02820	19.2
139.49638	2.5
139.53093	22.4
140.00203	5.0
142.03378	2.8
143.74890	2.1
146.97438	4.8
146.99641	21.1
148.53583	5.7
151.02853	5.2
151.03880	12.2
151.04976	4.6
151.07588	12.2
151.08609	3.4
151.09770	10.1
151.11166	16.8
152.00240	2.5
152.06950	4.4
153.00670	2.5
154.90726	13.2
158.01224	7.1
158.99643	4.2
161.01207	4.7
162.99109	3.0
165.00717	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03935	1.2
55.05499	3.1
57.07058	2.0
59.00136	0.8
65.03941	7.1
69.07066	4.0
69.07407	0.8
71.47663	1.8
79.05494	7.9
81.07033	1.1
91.05487	10.2
93.03391	1.5
93.07043	14.7
95.04944	1.9
95.08617	1.4
103.05474	6.1
105.07027	27.2
107.08588	34.1
108.08865	1.6
109.06513	2.6
111.04464	0.9
119.08583	8.1
120.09359	0.9
121.02864	12.8
121.03883	1.6
121.06519	1.6
121.10140	100.0
122.10477	4.6
123.08083	6.1
127.66156	0.7
131.04910	3.9
131.08574	1.2
133.07599	1.6
133.10173	1.7
134.10924	1.1
149.02341	27.3
149.06024	2.0
149.09613	6.2
149.12172	1.4
149.13258	16.8
150.02678	1.7
150.03773	0.9
150.13635	1.2
165.38893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03944	3.5
55.01852	8.3
58.16633	2.2
65.03941	27.4
69.03408	4.3
69.54813	9.8
69.55232	7.8
71.63732	2.0
77.85570	2.2
79.05492	16.1
80.96204	2.2
81.07060	3.0
84.65405	2.2
89.04322	4.4
91.05476	44.0
93.03384	9.4
93.07037	34.8
95.04965	9.2
103.05445	26.5
105.07024	29.1
106.07817	3.4
107.04903	2.6
107.08591	10.7
109.06506	4.4
109.07630	3.7
111.04427	4.6
115.05444	5.7
116.06237	14.5
119.08562	5.9
121.02858	37.1
121.03961	7.4
121.06499	16.0
121.10121	42.3
122.96744	2.7
123.08057	5.4
129.06993	8.7
131.04938	13.5
131.07687	3.5
131.08569	33.0
133.07555	4.8
134.07263	4.1
147.08046	2.7
149.01128	4.7
149.02338	90.2
149.05977	9.8
149.09610	100.0
149.13321	3.4
150.02672	7.9
150.05464	3.8
150.10022	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	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.13482	0.7
53.03933	2.0
55.01854	2.9
55.05499	2.6
57.03433	0.8
65.03935	27.9
67.05509	0.7
68.05025	0.7
69.03407	1.6
69.07046	2.7
69.99500	4.3
79.05492	10.6
80.04991	1.4
81.03381	0.9
81.04491	0.7
81.07025	2.4
85.48470	0.8
91.05476	16.0
93.03399	7.7
93.07037	27.2
94.06564	1.2
94.07351	1.0
95.04965	4.6
95.08621	0.9
98.03600	1.3
103.04785	1.1
103.05462	22.5
104.06303	0.9
105.07022	11.8
106.07799	2.0
107.04951	15.4
107.05775	0.8
107.05966	0.8
107.08589	10.6
108.04446	2.1
109.06477	0.9
109.07628	1.5
110.08403	1.8
111.04458	6.3
112.11023	0.8
116.06190	1.1
119.08588	2.5
121.02853	38.9
121.03957	6.4
121.06479	8.6
121.10127	16.2
122.03183	3.0
122.07133	3.0
122.10480	1.2
123.08053	2.4
131.02426	0.8
131.04922	18.3
131.08530	4.5
132.08922	0.8
134.07292	0.9
149.02332	100.0
149.05965	12.2
149.08418	2.2
149.09604	53.9
149.13239	5.7
150.02673	7.1
150.03716	1.3
150.05493	5.4
150.06552	1.3
150.10138	5.0
167.03389	2.2
169.03528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03937	2.6
55.01868	12.5
55.05489	2.4
56.96547	0.9
60.33500	0.7
60.54083	0.9
65.03939	29.3
67.02971	0.9
67.05504	4.3
68.99772	1.0
69.03412	2.3
69.07041	1.8
71.58978	1.1
71.59378	1.0
73.02894	0.7
75.57629	0.6
77.03898	0.7
78.04703	1.0
79.05488	19.9
80.05022	1.7
81.03379	1.1
81.04507	1.2
81.07035	1.3
83.04948	1.2
84.08135	0.9
85.04032	1.1
86.92979	0.7
89.03902	1.1
91.05470	13.8
93.03400	8.3
93.07037	29.4
94.06557	1.2
94.07373	1.1
95.04953	5.7
95.06071	1.0
98.03674	1.0
103.05458	33.4
104.05722	0.9
104.06307	1.0
105.04532	1.3
105.07023	13.8
107.04939	4.0
107.06097	0.8
107.08585	14.8
108.04463	3.5
108.05610	1.0
108.09599	0.8
109.06478	1.7
109.07648	4.0
110.08413	6.3
111.04446	7.4
116.06226	1.1
120.94761	0.6
121.02857	43.5
121.03957	8.0
121.06506	8.2
121.10130	10.1
122.03189	2.8
122.06055	0.9
122.07076	2.7
123.08030	0.7
123.09177	1.8
128.24586	0.7
129.06989	1.3
131.04915	26.7
131.08559	6.5
132.05344	2.0
133.07603	0.9
135.04378	1.2
149.02335	100.0
149.03311	3.5
149.05965	20.0
149.07111	1.6
149.08278	2.8
149.09596	27.9
149.13269	3.6
150.02689	6.9
150.03723	1.4
150.05498	6.1
150.06621	1.6
150.09103	1.2
150.10216	7.7
150.12769	0.8
161.90971	0.7
167.03412	2.9
169.03499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02368	0.5
53.03933	0.8
55.01868	0.7
55.05489	0.8
56.90012	0.4
57.06387	0.4
65.03935	7.2
66.04247	0.4
68.99783	0.4
70.04724	1.6
79.05476	1.2
80.04974	0.5
81.07042	0.6
91.05480	1.2
93.03366	2.2
93.07034	3.3
95.04945	1.8
103.05460	100.0
104.05789	3.9
105.04503	0.6
105.07009	1.1
107.04971	0.7
107.08582	3.0
111.04435	1.9
121.02855	9.8
121.03949	2.5
121.06501	1.8
121.10137	2.0
122.07153	0.8
127.48089	0.5
131.04918	91.6
132.05240	3.8
141.69652	0.5
149.02338	24.2
149.03377	0.8
149.05966	35.2
149.09612	1.7
149.13222	1.7
150.02660	1.0
150.03769	0.5
150.06360	1.5
167.05406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01861	3.4
65.03936	2.3
70.18890	2.0
79.05505	1.3
83.13100	0.6
91.05471	4.5
93.03410	1.0
93.07022	2.8
94.53841	0.6
95.04968	3.0
98.21483	0.8
98.26264	0.7
102.04602	0.6
103.05457	100.0
104.05787	3.4
104.06311	2.2
107.04967	0.9
121.02889	3.6
121.05611	1.0
121.06467	5.5
121.10101	0.7
131.04916	88.5
132.05186	4.0
133.06552	1.3
149.02347	7.5
149.05968	31.7
149.09569	0.7
150.06485	1.0
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	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02375	0.6
53.03940	1.3
55.01871	2.9
55.05511	0.7
59.06118	0.5
65.03936	19.3
66.03461	0.5
66.04263	1.0
68.99763	0.9
69.03423	0.7
69.07029	0.5
69.45651	4.7
73.00354	0.4
73.06559	0.8
77.03938	0.9
79.05506	2.8
80.05013	1.5
81.03402	0.6
81.07068	0.6
85.04051	0.8
89.03930	0.7
91.04990	0.7
91.05476	4.1
92.65114	0.5
93.03405	6.0
93.07043	5.4
95.04967	3.0
98.03666	0.9
99.64946	0.5
102.04713	0.5
103.05463	100.0
104.05801	4.0
105.03385	0.6
105.07004	2.5
107.04945	2.2
107.08597	2.8
108.04479	2.8
108.05645	0.7
109.06480	0.8
109.07629	2.2
110.08420	3.0
111.04433	4.7
119.08584	0.5
121.02864	27.5
121.03960	5.8
121.06499	5.0
121.10151	2.3
122.03221	1.1
122.06075	0.6
122.07087	0.9
122.07899	0.6
123.09179	1.3
131.04921	92.8
131.08551	1.2
132.05255	4.8
133.07632	0.7
135.04436	0.9
149.02338	66.2
149.05971	37.6
149.08205	1.7
149.09569	5.4
149.13222	0.8
150.02675	3.6
150.03729	0.8
150.05371	2.8
150.06494	1.6
150.10249	2.9
167.03413	1.5
169.03482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
55.01871	0.9
55.05504	0.5
56.05035	5.2
56.96566	7.2
57.03440	1.4
60.04527	0.8
61.02913	0.5
65.03940	5.8
67.05511	0.9
69.03419	1.9
70.06586	0.5
71.02991	0.8
71.04998	0.4
71.39400	0.7
72.08155	0.7
72.52956	0.5
73.02927	0.6
74.02433	1.0
74.06066	0.4
74.77853	0.3
78.52962	0.7
79.05501	0.4
80.03532	0.3
81.03417	0.7
81.53558	0.3
83.04985	0.4
84.04503	100.0
84.08144	1.0
85.02905	3.4
85.04834	2.6
85.06544	0.5
85.08505	0.4
86.52695	1.4
87.05589	0.7
88.03989	3.8
88.07641	0.4
89.03939	0.6
91.05476	0.8
92.01302	0.4
92.05814	0.9
92.52695	0.5
93.03408	1.9
93.07046	0.5
95.04971	0.6
95.53201	2.4
96.01557	0.3
98.97582	0.5
99.04473	0.3
100.02454	1.5
102.03317	0.4
102.05540	20.5
102.09153	1.5
103.05437	3.8
105.07034	0.4
106.52468	0.4
111.04478	1.5
113.02345	0.9
113.06019	0.3
116.00230	0.3
116.98647	0.4
117.02032	0.5
118.03524	1.5
119.01880	0.9
120.04474	0.5
120.05287	1.0
120.08961	0.3
121.02871	8.3
121.03968	1.3
121.06509	0.9
121.10155	0.3
130.04019	0.6
130.05003	12.4
130.06488	0.5
130.08687	0.5
131.03394	0.4
131.04887	3.5
133.03523	0.3
134.00516	0.6
143.01067	0.7
146.99638	0.4
148.03911	1.2
148.04837	1.1
148.06071	2.6
148.07089	0.3
148.07590	0.3
148.09709	0.5
149.02338	19.9
149.05960	2.7
149.09616	0.5
167.03444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05504	0.5
56.05035	5.2
56.96566	7.2
57.03440	1.4
60.04527	0.8
61.02913	0.5
65.03940	5.8
67.05511	0.9
69.03419	1.9
70.06586	0.5
71.02991	0.8
71.04998	0.4
71.39400	0.7
72.08155	0.7
72.52956	0.5
73.02927	0.6
74.02433	1.0
74.06066	0.4
74.77853	0.3
78.52962	0.7
79.05501	0.4
80.03532	0.3
81.03417	0.7
81.53558	0.3
83.04985	0.4
84.04503	100.0
84.08144	1.0
85.02905	3.4
85.04834	2.6
85.06544	0.5
85.08505	0.4
86.52695	1.4
87.05589	0.7
88.03989	3.8
88.07641	0.4
89.03939	0.6
91.05476	0.8
92.01302	0.4
92.05814	0.9
92.52695	0.5
93.03408	1.9
93.07046	0.5
95.04971	0.6
95.53201	2.4
96.01557	0.3
98.97582	0.5
99.04473	0.3
100.02454	1.5
102.03317	0.4
102.05540	20.5
102.09153	1.5
103.05437	3.8
105.07034	0.4
106.52468	0.4
111.04478	1.5
113.02345	0.9
113.06019	0.3
116.00230	0.3
116.98647	0.4
117.02032	0.5
118.03524	1.5
119.01880	0.9
120.04474	0.5
120.05287	1.0
120.08961	0.3
121.02871	8.3
121.03968	1.3
121.06509	0.9
121.10155	0.3
130.04019	0.6
130.05003	12.4
130.06488	0.5
130.08687	0.5
131.03394	0.4
131.04887	3.5
133.03523	0.3
134.00516	0.6
143.01067	0.7
146.99638	0.4
148.03911	1.2
148.04837	1.1
148.06071	2.6
148.07089	0.3
148.07590	0.3
148.09709	0.5
149.02338	19.9
149.05960	2.7
149.09616	0.5
167.03444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0603
Annotation	O-Acetyl-L-serine
Peak:m/z	Relative Intensity
51.02368	0.6
53.03947	1.1
54.36839	0.6
55.01871	1.1
55.05522	0.6
57.07070	0.9
60.04523	14.0
65.03937	10.8
66.71329	0.6
69.07035	0.7
69.66562	3.9
69.66970	1.1
70.02950	2.6
79.05479	3.1
80.05014	0.6
84.04496	1.3
85.02863	0.6
88.03988	100.0
89.04315	1.5
91.05489	5.4
92.04981	0.7
92.05843	1.1
93.03398	2.7
93.07036	6.0
95.04966	1.7
95.09704	0.7
95.88781	0.6
98.03690	1.0
98.20843	1.0
102.05540	48.7
103.05446	7.7
105.04507	0.6
105.07030	3.5
106.07362	1.3
107.04964	1.5
107.06087	1.2
107.08593	2.1
108.74272	0.6
111.04444	2.8
113.02365	0.9
116.06269	0.9
119.08602	0.8
120.04488	0.9
120.05344	0.6
120.08918	2.1
121.02866	19.2
121.03976	3.6
121.06485	4.1
121.07584	0.5
121.10139	6.1
122.07166	1.6
129.06926	0.6
130.06519	1.1
131.04933	8.0
131.08560	1.9
136.17276	0.7
140.08229	0.6
148.03842	3.0
148.04993	0.9
148.06032	2.1
148.07535	1.6
148.08688	2.6
148.12044	2.9
149.02339	49.8
149.05962	5.7
149.08366	1.3
149.09612	10.0
149.13219	0.9
167.03455	0.9
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	Desmarestene
Peak:m/z	Relative Intensity
51.31194	1.1
55.05511	12.9
58.37619	1.0
60.14184	0.9
60.85927	1.0
65.03922	2.0
67.05487	3.2
69.07054	4.1
69.34349	11.2
72.80635	0.9
79.05492	6.5
80.64077	1.1
81.07047	2.1
84.04503	1.5
85.10794	1.1
89.03951	1.2
91.05475	54.7
92.05804	3.2
93.07011	2.9
95.04982	1.7
98.21453	1.6
102.05449	1.4
103.05457	3.8
104.58294	1.5
105.07024	97.8
106.06673	1.1
106.07361	4.7
107.04937	1.3
107.08588	3.8
116.06222	1.8
116.87592	1.0
117.07005	9.0
119.04943	15.4
119.08572	100.0
120.04425	1.5
120.08895	3.8
123.96471	3.1
129.06995	1.3
131.08568	1.7
132.09386	2.5
145.10086	7.5
147.04417	20.4
147.05489	1.9
147.08012	9.5
147.11679	78.6
148.03876	3.7
148.04941	1.4
148.08627	2.4
148.12012	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	148.0603
Annotation	O-Acetyl-L-serine
Peak:m/z	Relative Intensity
52.94945	0.8
53.03938	1.1
55.01866	1.5
55.47945	0.8
56.05018	0.9
59.04966	1.0
60.04522	13.8
65.03932	21.8
66.23019	0.8
70.02939	1.3
70.97171	1.8
79.05489	2.5
84.04517	2.2
88.03984	100.0
89.04321	2.0
89.82217	0.7
91.05469	4.4
92.05790	2.4
93.03385	4.4
93.07039	6.9
95.04964	2.0
98.03669	1.1
102.05534	49.3
103.05447	20.3
105.07014	4.7
106.07369	1.2
107.04967	1.1
107.08586	2.5
108.05611	1.0
110.91714	0.8
111.04433	4.7
119.08556	1.0
120.04440	2.8
120.05241	1.0
120.08118	1.0
120.08901	2.2
121.02865	31.7
121.03951	5.4
121.06488	3.6
121.07590	0.9
121.10149	5.4
122.07092	0.9
130.06479	1.4
131.04913	17.3
131.08607	1.1
140.08160	1.2
148.03888	4.3
148.04921	1.6
148.06023	2.1
148.07562	1.8
148.08650	2.7
148.11002	0.9
148.12062	1.6
149.02335	84.2
149.05966	9.1
149.08369	1.8
149.09605	16.7
149.13237	2.0
156.77599	0.8
167.03407	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87108	0.8
51.68150	0.7
53.03932	2.0
55.05508	9.4
56.97452	0.8
65.03920	2.3
66.76009	0.7
67.05501	1.6
67.98806	0.7
69.07054	2.7
69.41566	4.9
69.41985	2.4
79.05488	7.6
81.07027	1.2
84.04506	0.9
85.04560	0.7
86.03149	0.7
91.05474	48.2
92.05795	2.6
93.07031	3.3
94.91606	0.7
95.04936	1.7
98.20686	1.4
101.07963	0.9
103.05466	3.7
104.06251	1.1
105.07021	73.2
105.73678	0.7
106.07343	3.5
107.04916	1.1
107.08582	8.6
109.06512	0.8
115.05429	2.2
116.06211	2.6
117.07013	12.4
119.04937	13.4
119.08572	100.0
120.04474	0.9
120.05267	1.0
120.08894	5.8
121.10154	1.1
123.96439	1.5
127.07811	0.7
128.06209	1.2
129.06979	3.1
130.06499	0.8
130.07735	1.2
131.08566	2.1
132.05678	1.0
132.09363	6.8
138.60944	1.0
145.07712	1.0
145.10130	10.5
147.04443	12.0
147.05522	1.8
147.08067	8.8
147.11673	86.9
148.03893	2.0
148.04939	1.4
148.07533	1.3
148.08603	1.9
148.11996	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05513	5.7
65.03933	3.1
67.05495	1.9
69.07062	2.7
70.86479	1.4
79.05489	4.5
84.04488	1.4
91.05476	43.0
92.05784	1.9
93.07050	2.3
95.04938	1.6
103.05471	3.1
104.06237	1.3
105.04496	1.1
105.07027	53.7
106.06602	1.5
106.07346	2.3
107.08598	2.9
117.07013	6.3
119.04946	14.4
119.08574	100.0
120.05282	1.0
120.08897	5.4
129.06995	1.3
130.06561	1.0
132.09335	2.6
145.10139	6.5
147.04437	13.3
147.05495	2.1
147.08057	6.5
147.11687	51.9
148.03928	3.5
148.05009	1.4
148.07506	2.3
148.08670	2.5
148.12013	2.7
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
55.05507	5.9
60.04522	13.7
65.03915	1.5
67.05491	1.9
69.07068	2.2
70.02956	1.7
71.03190	1.9
71.03529	2.4
79.05479	2.8
84.04488	1.7
88.03984	100.0
91.05473	45.0
92.05782	1.8
93.07056	1.5
102.05531	53.6
103.05437	3.9
105.07019	51.7
106.07325	1.9
107.08579	5.0
107.77869	1.1
117.07020	8.4
119.04945	14.5
119.08569	65.8
120.05257	1.8
120.08915	3.3
121.07601	1.6
121.81924	1.2
123.96416	1.6
129.06981	1.5
131.08582	2.3
132.09338	4.2
145.10081	5.7
147.04410	19.2
147.05469	2.2
147.08047	9.3
147.11681	55.8
148.03912	2.5
148.04982	1.7
148.06082	2.2
148.07500	1.5
148.08652	1.7
148.12048	3.7
167.83783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05506	8.8
64.92807	1.1
65.03937	1.8
67.05498	9.7
69.07047	3.7
69.90113	6.3
79.05488	8.9
81.07030	4.6
84.63486	1.3
91.05473	67.9
92.05797	3.4
93.07025	5.8
95.04964	1.6
98.21458	2.4
102.27651	1.1
103.05457	4.6
104.06218	1.1
105.07024	92.8
106.07349	3.6
107.08576	2.6
117.07011	6.5
119.04934	15.7
119.08572	100.0
120.05358	1.3
120.08897	5.4
123.96429	2.5
129.06989	1.7
131.08572	1.2
132.09357	2.1
145.10089	6.5
147.04417	18.7
147.05486	3.0
147.08038	6.7
147.11681	72.3
148.02724	1.1
148.03915	3.2
148.12013	4.2
153.87050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05507	6.4
56.05017	1.2
57.03410	1.3
57.07072	5.8
59.04975	1.1
59.06123	1.3
60.04512	1.5
60.95835	1.5
65.03945	0.8
67.05515	4.0
68.99792	0.7
69.03429	9.8
69.07065	2.0
70.06583	1.4
70.25214	2.9
71.01353	1.2
71.04989	41.8
72.05323	1.6
73.06561	4.9
79.05483	2.0
81.04543	0.8
81.07037	1.9
83.01337	0.8
83.04980	5.4
83.08620	4.7
84.04482	1.0
85.02892	4.7
85.06539	17.1
86.52374	0.7
91.05462	0.7
97.02883	10.9
97.06532	1.9
97.10162	6.5
98.06040	3.7
98.09695	1.3
98.20864	0.7
101.07136	1.2
102.05494	0.8
105.07042	1.1
107.08595	13.0
111.07928	1.5
119.01945	0.9
125.02348	15.8
125.09624	7.5
126.05553	0.9
126.09943	0.8
128.01018	0.8
128.06194	4.9
139.01828	2.6
143.03386	100.0
143.08519	2.4
143.10663	2.8
144.03793	3.8
144.06578	3.5
144.08069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0655
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
53.03946	1.4
55.01859	1.6
56.05046	1.3
56.88675	0.5
57.03174	0.9
57.03431	8.5
60.04523	18.4
61.02922	2.8
62.92996	0.5
66.59475	0.5
69.03434	5.4
70.06586	0.7
71.01340	0.5
71.04990	2.4
81.03417	2.3
83.01347	0.7
84.04511	3.7
84.08161	0.6
85.02902	100.0
86.03265	2.5
91.05472	1.2
97.02890	4.4
98.06063	2.7
98.09693	0.9
99.04446	5.2
102.05524	3.0
105.07027	2.2
109.02827	1.1
115.03909	1.1
115.05456	1.5
117.07031	2.9
121.28411	0.5
121.96632	1.3
126.02670	0.6
126.05515	13.0
127.03915	2.4
130.07794	1.6
143.42723	0.5
144.03722	2.0
144.06558	47.2
145.04932	1.8
145.06662	1.9
145.10100	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
61.95484	0.5
65.03938	6.3
66.06873	0.4
67.08691	0.4
69.45792	3.8
77.03932	0.6
91.05474	100.0
92.05807	3.4
98.21473	0.9
103.05496	0.5
105.07022	1.1
118.52979	0.4
119.04935	72.9
119.08583	1.2
120.05251	3.0
123.96526	0.6
129.03397	0.8
129.04475	0.4
147.04399	62.5
147.11691	1.3
148.04752	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
56.98892	0.6
60.04522	0.7
65.03928	1.5
67.05479	1.6
69.07055	1.9
72.39746	0.6
79.05484	4.4
84.04471	0.8
88.03980	1.7
91.05471	36.6
92.05817	1.5
93.07030	2.8
95.04943	0.9
98.20685	1.4
102.05520	1.1
103.05460	3.1
105.07022	46.5
106.07329	1.8
107.04927	1.2
107.08588	9.5
115.05409	0.8
116.06288	1.6
117.07004	11.8
119.04932	9.6
119.08570	100.0
120.04452	1.1
120.08892	5.2
123.96465	1.3
129.07007	1.7
130.07742	1.3
131.08565	2.4
132.05676	0.9
132.09337	6.1
145.10100	7.9
146.10526	0.8
147.04416	9.3
147.05492	1.6
147.08034	10.8
147.11673	63.5
148.03886	1.7
148.07452	1.0
148.08531	1.5
148.12035	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76229	0.6
55.01855	2.5
55.05504	8.1
57.03420	1.6
57.07074	7.6
58.05356	0.8
59.04992	1.4
59.06108	1.4
60.04502	1.8
67.05490	3.5
69.03419	11.0
69.07047	2.2
70.06589	1.3
71.04987	39.8
71.63240	1.0
72.05312	1.6
73.06561	4.7
79.05469	3.0
81.04552	0.8
81.07050	2.5
83.01333	1.0
83.04970	4.7
83.08621	4.4
84.04505	1.5
85.02885	4.6
85.06532	20.6
91.05447	0.9
95.08548	0.7
95.71667	0.7
97.02878	10.9
97.06512	1.6
97.10162	6.1
97.14033	0.8
98.06055	4.4
98.09726	0.8
107.08584	15.2
109.06470	1.2
111.07920	2.3
114.90726	0.7
115.03944	0.9
118.88544	0.8
125.01449	1.3
125.02346	19.6
125.07078	0.8
125.09605	9.9
126.02718	1.5
128.01016	1.6
128.06207	6.0
129.03873	0.9
129.06989	0.8
139.01775	2.0
143.03384	100.0
143.08539	2.7
143.10632	3.4
144.03735	5.7
144.06555	3.1
144.07957	1.9
162.03377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96163	1.0
55.01876	2.5
55.05508	7.7
56.05016	1.0
57.07072	5.6
59.04997	2.2
60.04520	2.7
60.74510	1.1
60.95848	2.0
65.03917	1.4
67.05495	3.8
69.03427	9.2
69.07055	1.9
71.04992	42.9
71.63274	1.7
73.06541	3.9
79.05470	2.9
81.07063	2.2
83.04993	5.7
83.08592	3.3
84.04477	1.1
85.02901	8.6
85.06541	19.8
97.02886	10.8
97.10162	6.6
97.87835	1.0
98.06026	3.6
107.08582	11.8
111.07996	1.1
125.02333	14.7
125.09628	8.2
128.06190	4.8
129.06996	1.2
139.01851	2.4
143.03391	100.0
143.10663	3.7
144.03696	3.3
144.06558	4.2
144.07990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
56.96546	4.3
57.03429	11.4
58.06596	3.2
58.99857	3.1
61.02918	5.5
65.72217	1.2
68.02647	2.2
68.05022	2.4
69.03431	6.6
69.94328	1.3
70.99841	2.2
71.59043	2.7
73.02914	11.5
77.00893	3.8
78.52926	1.9
79.51930	1.5
81.01923	1.8
81.03414	5.0
81.04537	100.0
82.01468	1.8
82.05297	2.1
83.06084	2.3
83.80100	1.3
84.08141	3.5
84.52948	1.5
85.02900	8.2
85.53726	1.6
86.03683	1.8
86.52692	2.8
88.02662	3.3
89.75294	1.5
93.01878	2.3
93.53496	7.0
93.53970	1.2
95.06091	57.4
97.02878	6.2
97.07645	12.9
98.06051	2.3
98.09682	3.0
98.52686	1.9
98.97567	2.6
99.05563	2.9
99.53458	3.5
100.02495	12.3
101.00900	12.2
101.53214	1.6
102.00994	1.3
102.02415	7.3
102.52489	1.8
103.03197	1.9
104.52701	2.3
107.53196	2.7
109.02872	2.1
110.53723	1.7
111.02921	5.9
111.53075	1.8
113.53170	8.2
115.02435	1.8
116.98560	2.1
118.01102	2.4
118.03523	8.7
119.01922	75.3
120.02006	7.8
120.03410	3.3
120.97921	1.3
121.01566	1.4
122.53668	6.9
124.02438	1.8
125.02351	4.3
125.07111	55.0
127.03882	1.6
131.01910	6.8
131.54242	4.2
133.03435	2.2
134.70963	1.2
137.02946	20.0
138.03047	2.6
140.54733	1.6
141.02754	2.4
141.04921	1.7
142.03508	19.3
143.01965	6.6
143.03419	19.9
143.08153	53.7
143.11800	3.6
144.03181	1.9
144.06546	2.3
144.10187	32.8
145.03424	2.7
154.03409	2.8
155.01942	1.8
157.03488	1.8
160.04529	2.7
161.02963	10.7
162.03070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01868	4.7
55.41682	1.7
56.96564	15.0
57.03430	6.6
58.18576	2.4
58.99855	2.2
61.02927	2.2
68.00290	1.8
69.03427	6.4
71.37907	3.6
73.02910	4.5
73.68852	1.6
81.03418	4.8
81.04550	4.6
82.86536	1.7
85.02897	2.1
90.23428	1.9
97.02876	6.0
98.97598	10.0
99.01485	1.8
100.02485	4.0
100.07637	2.5
101.00871	12.8
105.02099	3.0
105.53453	3.2
111.04411	2.1
116.98619	7.2
118.03529	4.7
119.01913	100.0
120.02050	5.5
124.02408	2.5
125.02345	7.0
125.07156	2.0
128.02347	4.6
128.98560	2.2
129.10651	2.2
134.99722	2.2
136.04526	2.4
137.02957	34.1
138.03099	2.1
138.15334	1.7
142.03499	27.0
142.08618	3.3
143.03386	38.9
153.65312	2.0
157.27829	1.9
160.04527	16.0
161.02954	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0862
Annotation	Arecaidine
Peak:m/z	Relative Intensity
52.67215	0.5
53.03943	0.5
54.12477	0.4
55.01855	1.4
55.05510	0.8
56.05029	4.2
56.96553	2.2
57.03438	0.9
58.02964	0.8
58.06591	2.2
59.06123	5.4
59.54794	0.6
60.04518	5.4
63.56286	0.4
68.05021	2.7
69.03423	2.8
69.07081	1.2
69.85664	3.0
70.06584	1.6
71.01328	0.6
71.06120	0.8
71.54917	0.5
72.04528	1.2
72.06903	1.1
72.08155	0.6
73.02905	0.7
74.06080	1.4
75.05597	1.2
79.05491	1.4
80.05010	1.2
81.04536	1.6
81.07046	1.4
82.06573	1.0
83.04971	0.8
83.06100	6.8
84.04485	4.4
84.06851	0.6
84.08135	0.9
85.07657	1.8
86.06077	2.8
86.08452	1.7
90.01530	0.6
93.09609	0.5
95.06090	0.9
96.04489	1.1
96.08126	7.5
97.02879	2.8
97.06555	1.0
97.07637	4.2
98.06052	1.7
98.97588	1.4
99.05575	2.2
100.03970	0.6
100.07597	2.4
100.08729	1.0
101.00884	0.8
101.02316	0.6
101.07149	3.7
102.05540	1.2
106.06551	0.5
107.06072	0.9
110.01324	0.6
110.03213	0.9
112.08734	1.0
115.08681	0.7
115.20697	0.5
116.98579	0.7
118.96734	0.7
119.01891	7.2
124.07585	40.6
125.02348	5.4
125.07113	3.8
125.07931	1.1
128.02364	0.7
136.04552	0.5
137.02943	2.3
142.03535	1.4
142.08636	100.0
142.09729	11.9
143.03381	27.5
143.09052	3.4
160.04593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
56.05026	0.5
56.96559	32.0
62.34593	0.5
67.62096	0.6
70.66957	1.1
70.67360	1.0
71.95263	4.2
81.03439	0.6
94.06562	0.5
96.40035	0.4
98.97574	90.3
99.05560	0.6
99.97928	1.0
116.98610	100.0
117.98946	1.0
123.05509	0.5
134.99644	76.1
135.99998	0.9
140.00140	2.9
140.07072	0.8
140.08139	0.7
152.99449	0.9
153.00696	15.5
158.01266	3.1
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
54.03461	1.3
55.05511	0.7
56.03783	0.8
56.05035	9.7
56.96563	32.4
57.04556	1.5
57.93547	0.6
59.06110	2.7
67.02977	0.9
67.05504	1.9
68.05019	2.4
69.04549	1.6
70.21375	2.5
71.06104	2.0
71.30039	0.6
71.95251	5.0
72.04498	1.6
81.04533	3.5
82.02926	1.7
82.46652	0.7
83.04986	0.9
83.06097	5.3
84.04497	2.4
85.07644	1.6
95.06076	3.3
96.04512	0.9
96.05643	3.4
97.06412	1.6
97.07644	0.9
98.07181	4.3
98.97578	80.9
99.05585	5.3
99.97903	0.9
100.02457	2.0
100.06362	1.8
103.02431	2.2
107.05230	2.1
110.61829	0.7
111.04446	3.2
113.07105	4.1
116.05780	2.5
116.98611	100.0
117.99005	1.2
118.03517	1.2
119.01895	0.7
121.03474	2.2
122.06107	0.9
122.07156	3.1
123.05544	5.4
123.07890	0.8
134.99651	85.1
136.00056	1.7
136.02727	1.3
140.00168	3.7
140.03442	0.8
140.07071	1.8
140.08171	15.7
140.09290	0.7
140.11742	1.0
141.01808	1.7
141.06578	1.4
142.34520	0.7
147.04987	1.0
153.00708	20.1
153.04082	0.7
158.01241	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	140.0705
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
53.03936	4.6
54.03466	5.6
55.01869	2.5
56.03753	2.2
56.05029	23.4
56.96559	33.7
58.06612	2.0
59.03724	2.6
59.06113	7.5
60.95356	1.8
64.92956	1.6
66.34074	1.7
67.03007	2.5
67.05499	5.5
68.05019	7.6
69.04536	4.0
69.07058	9.2
70.06586	10.6
70.21989	8.7
71.05000	2.5
71.06116	4.2
71.95248	4.4
72.04517	3.1
72.08155	1.9
80.05013	2.1
81.03410	13.2
81.04538	8.4
81.05807	3.5
82.05328	2.8
82.85721	1.9
83.06096	12.7
84.04494	23.8
85.07639	3.0
94.06560	76.5
94.64748	1.4
95.04967	3.3
95.06078	13.5
95.07347	14.2
96.04490	7.2
96.05602	12.7
96.08120	16.8
97.02883	7.4
97.03983	1.6
97.06461	2.8
97.07655	2.6
98.06046	47.6
98.07118	13.8
98.97579	75.0
99.05582	13.9
99.06192	2.4
100.06348	2.3
109.02863	20.7
112.07590	3.4
113.02383	5.8
113.07123	9.8
116.97235	5.6
116.98612	100.0
122.06031	36.8
122.07133	7.0
123.05536	16.3
123.06356	2.7
123.09174	2.7
124.11147	1.8
125.02348	14.6
134.99644	84.8
138.05495	46.7
140.00269	2.5
140.03568	2.5
140.04678	9.9
140.06004	2.8
140.07059	82.9
140.08191	44.9
141.01822	6.0
141.05486	4.4
141.06500	3.9
141.07449	4.4
153.00696	15.5
158.01241	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57971	2.7
71.03182	4.9
71.03518	6.1
88.51701	2.9
100.02490	3.3
100.42352	2.7
101.00858	12.6
112.18733	2.6
112.54424	2.3
114.46706	2.8
118.03513	4.9
119.01909	100.0
120.01977	4.6
125.16813	2.5
127.08759	2.7
136.04558	4.0
137.02940	51.5
137.50031	9.7
142.03494	31.5
143.03622	3.6
145.48849	3.0
149.00812	7.5
160.04538	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.29572	0.1
53.03942	0.3
55.01857	0.1
55.05474	0.1
56.96561	2.8
57.03427	0.7
57.27103	0.1
58.99833	0.2
61.02914	0.2
65.03922	0.5
67.05511	0.7
69.03414	0.5
69.18581	0.1
70.06580	0.2
71.04974	0.2
71.60788	0.2
72.08144	0.2
73.02901	0.5
75.04446	0.1
77.00893	0.2
78.03442	0.2
79.04221	0.1
81.03407	0.6
85.02895	0.4
88.02663	0.2
92.05000	2.0
93.05793	0.7
94.02670	0.3
94.06561	12.2
95.04955	0.2
95.06898	0.4
96.02418	0.2
96.04483	2.0
97.02299	0.1
97.02876	0.6
97.96775	0.2
98.97554	0.3
100.02474	0.6
101.00810	0.2
103.02453	0.5
103.03158	0.2
104.52665	0.1
106.02796	0.1
108.02409	0.2
109.02888	0.4
110.06039	10.6
111.02946	0.2
111.04464	0.3
111.06374	0.3
113.01761	0.1
113.28046	0.1
115.02426	0.4
115.97838	0.2
116.98646	0.3
118.01113	0.4
118.03513	0.5
119.01912	0.8
121.03499	0.2
126.02527	0.2
126.03435	0.2
127.01660	0.1
131.01884	0.7
133.01640	0.4
133.03459	2.0
133.98865	0.2
134.99612	0.2
137.03011	0.2
138.05493	100.0
139.04066	0.1
139.05850	3.8
141.02744	0.3
142.03513	0.3
143.01903	0.2
145.03490	0.2
146.99574	0.2
149.02954	0.2
151.02718	0.3
151.04526	1.1
154.04994	0.5
156.05011	0.1
157.03464	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94762	0.7
56.96563	33.3
57.03435	0.8
70.25145	1.8
70.25560	1.7
71.13319	0.7
71.95262	4.3
81.03413	1.3
84.01572	1.0
93.02085	1.5
98.97577	92.0
100.02476	1.0
116.98613	100.0
117.98959	0.8
118.03509	0.9
119.01872	1.1
126.02573	0.9
127.98087	0.6
134.99648	69.4
136.00052	0.9
137.72052	0.7
140.00156	3.0
140.03432	1.1
153.00690	12.5
158.01260	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.90607	1.1
53.03934	3.1
55.01860	3.7
55.05504	6.5
57.93433	1.1
65.03931	3.2
66.04715	2.0
67.05499	42.5
68.05022	1.5
69.03412	4.0
69.07056	1.9
71.13480	3.3
79.05495	10.0
81.04543	3.3
81.07048	22.5
83.04974	2.8
91.05474	23.5
93.07024	9.5
94.04188	20.1
94.07880	1.3
95.04964	15.7
95.08600	15.2
97.06390	6.7
98.04774	1.7
107.04955	12.5
107.08601	2.9
109.06517	40.2
109.10146	44.6
110.06102	1.7
110.07096	3.9
110.10479	2.1
111.05585	1.4
117.07034	4.0
119.04925	1.3
119.08560	13.0
120.04489	1.6
121.06464	4.4
122.03640	40.2
122.07274	58.0
122.08169	2.9
123.06869	1.4
123.07702	1.5
135.08005	1.4
137.02441	4.1
137.05968	92.2
137.08286	3.9
137.09605	100.0
137.13248	1.7
138.05467	3.1
138.06451	5.4
138.09039	6.5
138.10005	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03935	2.0
55.01862	1.5
55.05494	2.1
57.07061	0.8
65.03945	0.9
65.58604	0.6
66.04706	1.3
67.05501	21.6
67.92799	0.8
68.78928	0.6
69.03423	0.7
71.62899	0.9
79.05487	4.1
81.03400	2.2
81.07053	10.5
91.05484	12.8
93.07048	4.0
94.04186	11.1
95.04990	3.7
95.08605	10.4
97.06457	0.8
103.05433	1.0
107.04944	11.2
107.08628	1.8
109.02874	1.1
109.06519	2.5
109.10153	28.4
110.06040	1.2
110.07169	0.8
110.10487	1.3
117.07026	1.2
119.08583	12.0
121.06491	6.0
122.03649	20.2
122.04465	1.4
122.07283	68.3
123.03976	0.8
123.07609	2.4
135.08038	2.5
137.02402	2.1
137.05978	47.2
137.09608	100.0
138.05473	1.5
138.06383	1.7
138.09035	1.0
138.09981	5.2
140.31586	0.7
154.14412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	7.5
54.03458	2.8
55.01619	3.9
55.01870	61.8
55.05502	25.7
55.91913	2.5
65.03935	5.0
67.05499	73.8
68.05035	2.4
69.03428	6.7
69.04562	3.6
69.07040	3.3
70.95528	5.4
70.95868	4.4
72.04510	4.3
79.05491	39.3
81.04536	9.2
81.07054	100.0
82.06567	3.0
91.05460	15.2
93.07040	14.4
94.04191	9.6
94.06579	2.5
95.04961	16.2
95.06126	3.5
95.08598	24.1
97.06387	10.0
97.07673	3.1
98.21429	2.3
107.08572	6.0
109.06513	26.8
109.10149	40.0
110.07156	9.5
111.05532	4.3
111.08109	2.6
116.45630	2.5
119.04890	2.9
119.08556	5.8
120.05567	3.9
122.03648	19.6
122.07273	9.0
137.05960	57.2
137.08214	8.1
137.09619	33.4
138.05458	6.1
138.06519	6.4
138.09109	7.7
138.10112	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.4
52.66999	0.3
53.03935	0.9
55.01850	0.4
57.07061	0.3
65.03921	1.0
66.04710	2.7
67.05501	1.8
69.03428	0.4
69.59917	2.5
74.34934	0.3
79.05485	3.6
81.04535	0.3
81.07058	3.5
86.39396	0.4
91.05471	3.2
93.07036	0.6
94.04180	24.5
95.04492	0.9
95.05018	0.7
95.08603	2.8
97.06390	0.5
97.17986	0.4
98.21509	0.4
99.42224	0.3
102.85570	0.4
105.03349	0.4
107.04942	1.4
109.06499	1.3
109.10139	0.7
110.07137	0.5
116.97196	0.3
119.08635	0.4
120.08736	0.4
122.03639	43.9
122.07271	0.7
123.03963	1.5
135.04451	0.4
137.05971	100.0
137.09520	2.1
137.13235	0.5
138.05385	0.7
138.06328	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03932	6.6
54.97865	1.6
55.01868	39.5
55.05505	34.1
65.03931	4.7
67.05500	100.0
68.05827	1.9
69.03419	10.0
69.07060	2.6
70.39645	7.3
79.05486	24.8
81.03441	1.9
81.04538	3.9
81.07052	72.7
82.06538	1.9
82.07381	2.7
83.06102	2.2
91.05470	12.7
93.07037	13.5
94.04188	7.5
95.04967	21.9
95.08600	35.2
96.05633	1.8
97.06397	4.5
98.04774	2.0
107.08582	7.0
109.06509	18.7
109.10152	51.7
110.07150	5.8
110.10458	3.3
110.35218	1.8
111.08078	3.9
114.56227	1.6
119.08559	5.4
120.64555	1.5
121.06505	1.7
122.03626	6.1
122.07275	5.4
137.02448	2.1
137.05969	33.4
137.09612	51.4
138.05499	3.4
138.06566	5.4
138.09117	7.9
138.10054	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02992	0.2
56.96558	1.1
57.03429	0.3
57.94060	0.1
61.97939	0.1
67.02973	0.2
67.09827	0.2
70.81936	0.4
81.03418	0.2
83.16101	0.1
88.02686	0.1
90.01540	0.6
91.05463	0.5
92.02470	0.3
94.04047	2.3
98.97571	0.2
99.02072	0.7
100.02456	0.4
109.05136	0.4
112.05097	0.3
113.01730	0.4
116.98632	0.2
118.03493	0.3
119.01884	0.5
119.03545	5.6
120.97960	0.2
122.02364	0.2
124.52549	0.2
131.01920	0.4
134.99683	0.3
136.06178	100.0
137.04594	4.3
137.06662	2.4
138.04880	0.1
149.02963	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	0.5
55.01865	0.5
60.16563	0.2
65.03938	0.9
66.04726	3.1
67.05491	0.4
70.86019	0.5
70.86353	0.4
75.94759	0.2
77.03930	0.4
79.05490	3.2
81.07053	1.8
88.98422	0.2
91.05472	2.2
94.04186	26.9
95.04491	0.8
95.04973	1.1
105.03418	0.5
107.04962	1.4
109.06516	0.7
119.04963	0.2
122.03645	49.2
123.03968	1.8
135.04419	0.5
137.05974	100.0
138.06308	4.7
143.85022	0.2
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
51.02377	0.4
51.53136	0.3
53.03939	0.9
54.03466	0.5
55.01870	1.0
56.05032	0.7
56.96561	0.6
62.91911	0.3
65.03939	1.2
66.04726	2.5
67.05507	1.8
68.05011	0.7
69.03426	0.9
69.04546	1.1
70.02934	0.5
71.18782	0.3
71.36486	0.8
72.04490	0.5
77.03922	0.5
79.05482	3.4
81.03412	1.1
81.04529	3.4
81.07044	3.9
82.06573	1.1
83.06107	1.9
91.05475	5.5
93.04530	0.5
93.07041	2.3
94.04181	26.2
94.06547	0.4
95.04458	0.5
95.04990	2.2
95.06084	0.8
95.08609	1.5
96.04466	0.6
96.05614	1.5
97.04034	0.6
97.06405	1.8
98.04777	0.8
102.54540	0.3
105.03412	0.5
107.04969	1.3
109.06512	2.3
109.07629	0.5
109.10152	0.5
110.06010	0.9
110.07162	2.8
111.05546	3.0
111.09228	0.3
119.04930	0.8
120.05622	1.7
121.04018	0.5
121.07624	0.4
122.03639	43.9
123.03970	1.9
135.04468	0.4
137.02510	2.6
137.05966	100.0
137.09427	1.5
138.01773	0.8
138.05455	2.4
138.06470	5.8
138.09126	1.0
138.10242	1.4
141.19312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02368	0.3
53.03942	0.6
54.15606	0.2
55.01876	0.4
58.21279	0.2
65.03938	1.0
66.04720	2.6
67.05504	0.5
69.98607	1.4
77.03940	0.4
79.05483	2.8
81.07050	1.7
91.05475	2.2
93.03376	0.3
94.04177	27.6
95.04480	0.7
95.04964	1.0
105.03368	0.6
107.04913	1.3
109.06522	0.7
122.03636	46.9
123.03957	1.8
135.04375	0.6
137.05962	100.0
138.05342	0.5
138.06296	4.3
150.40385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.12319	0.7
53.03928	2.5
54.32872	0.7
55.05300	0.6
55.05511	6.5
57.07073	1.5
58.01877	0.7
58.37150	0.6
59.98983	0.7
65.03918	1.2
67.05483	2.1
68.05018	2.9
69.07045	2.6
71.17812	1.7
76.29100	0.7
79.05489	16.6
81.07025	2.0
91.04884	1.2
91.05473	34.8
93.07033	51.1
94.07368	1.7
95.04954	8.2
96.06852	1.7
98.67716	0.8
105.04515	0.8
105.07022	17.4
107.04931	2.9
107.08584	100.0
108.08873	4.1
109.01100	1.4
109.06503	7.2
109.07634	1.1
115.05421	1.0
117.07022	0.9
119.06059	2.2
119.08562	13.1
120.09407	3.7
135.04407	4.3
135.08054	3.1
135.11673	34.2
136.02158	19.6
136.03853	1.4
136.06151	3.0
136.08640	2.1
136.12010	2.1
150.82120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02373	0.6
53.03946	3.6
54.03468	0.9
55.01872	3.0
55.04263	0.7
55.05506	8.7
56.96558	0.9
57.03426	0.6
57.07069	1.2
59.06123	0.8
60.04518	1.2
60.16414	0.6
65.03931	2.4
67.02998	1.1
67.05508	3.2
68.05028	8.6
69.03448	0.6
69.07056	3.8
70.51421	1.2
70.51789	1.0
70.73496	0.5
75.05596	1.6
75.53848	0.5
75.71902	0.6
76.03983	0.8
79.05487	28.0
80.05013	0.7
80.05782	1.3
81.03394	1.0
81.05755	0.7
81.07071	2.8
82.06558	1.0
87.05583	5.2
91.05474	37.4
92.04968	0.7
92.05784	0.6
92.06296	0.9
93.04501	1.2
93.07037	58.1
94.06555	1.0
94.07366	2.0
94.07888	0.7
95.04976	8.9
95.06072	4.8
95.08603	0.9
96.06863	7.6
105.04514	1.8
105.07024	18.5
106.04179	0.6
107.04955	7.1
107.08587	100.0
108.04493	0.8
108.05613	1.1
108.08144	1.4
108.08920	3.9
109.01105	2.8
109.06511	6.5
109.07610	6.2
112.88010	0.6
115.05451	2.4
117.06992	3.9
118.06529	0.9
119.03557	0.6
119.06019	3.5
119.08580	7.6
120.09360	2.0
121.01523	0.9
121.06451	0.7
124.05198	0.6
130.87645	0.5
133.10101	0.9
134.07161	0.5
135.04407	11.4
135.05518	3.2
135.06667	3.3
135.08047	23.9
135.09106	1.3
135.11681	32.6
136.02155	60.8
136.03885	2.3
136.04997	1.8
136.06142	9.8
136.07559	5.4
136.08675	12.7
136.11113	0.7
136.12077	1.3
137.09595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	6.7
54.03479	2.6
55.01860	2.0
55.05508	11.4
64.41115	1.2
65.03957	3.4
67.05506	4.0
67.29114	1.2
68.05025	9.4
69.07075	4.0
70.72879	2.8
72.83257	1.3
73.63470	1.1
79.05483	31.7
80.05004	1.4
81.07068	5.3
87.05616	1.3
91.05470	40.7
92.05826	2.1
93.07038	58.1
94.07360	2.0
95.04967	11.7
95.06073	5.8
96.06867	8.1
105.04555	2.1
105.07030	17.9
107.04958	17.8
107.06100	1.8
107.08587	100.0
108.04531	2.0
108.05418	1.2
108.08944	4.0
109.01115	3.4
109.06525	7.2
109.07633	6.1
115.05463	3.2
117.07027	5.2
119.06076	5.4
119.08588	14.3
120.09363	2.5
120.39226	1.2
134.06905	2.5
135.04431	15.0
135.05479	2.1
135.06711	3.5
135.08047	22.1
135.08994	2.2
135.11679	36.7
136.02158	70.4
136.03923	2.5
136.05116	2.3
136.06207	12.5
136.07582	4.6
136.08635	10.8
136.12032	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39748	0.6
53.03941	4.2
55.05505	7.3
57.07080	1.4
65.03932	2.4
67.05492	2.0
68.05032	4.1
69.07062	2.6
69.79550	4.5
78.04720	0.9
79.05050	1.4
79.05487	19.9
79.59861	0.7
81.07054	2.8
85.79742	0.7
87.05592	2.0
91.05476	44.4
91.34850	0.6
92.05779	1.5
92.06290	0.9
93.07040	44.0
94.07345	1.4
95.04959	7.8
95.06091	2.3
95.08635	1.2
96.06874	3.3
104.06257	0.9
105.04507	1.2
105.07024	20.8
106.07858	0.9
107.04944	4.0
107.08588	100.0
108.08245	0.9
108.08909	3.4
109.01096	0.8
109.06514	8.9
109.07646	3.1
115.05450	1.3
117.07010	2.7
118.58749	0.7
119.05210	0.5
119.06075	2.6
119.07778	1.4
119.08573	17.6
120.09396	5.5
124.22619	0.8
133.10146	1.4
135.04405	5.3
135.05452	1.3
135.07036	1.2
135.08066	9.4
135.11684	39.0
136.02156	25.3
136.03825	1.5
136.05185	0.8
136.06169	5.6
136.07558	2.7
136.08604	4.7
136.12021	1.9
137.09590	1.2
140.42296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	5.0
55.05507	6.5
63.70386	0.9
65.03928	2.1
66.36028	1.1
67.02970	0.9
67.05495	2.0
68.05017	3.8
69.07052	2.5
69.66691	6.1
69.67093	1.7
75.05634	1.6
79.05494	19.8
81.07057	2.9
87.05597	1.7
91.05478	40.2
91.49928	1.0
91.97617	1.1
93.07037	46.3
94.07335	1.6
95.04961	7.6
95.06091	2.3
95.08611	1.2
96.06870	3.3
102.27531	1.2
105.04475	1.9
105.07028	19.8
107.04964	3.2
107.08586	100.0
108.08914	4.4
109.06509	8.8
109.07651	2.8
115.05420	1.3
117.07014	2.0
119.06068	2.6
119.08579	16.5
120.09395	5.1
133.10130	2.0
135.04419	2.8
135.05470	1.7
135.08046	7.7
135.11685	36.0
136.02150	20.4
136.06177	5.2
136.07622	1.9
136.08701	4.5
136.12053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
55.01864	0.6
56.96561	76.0
57.03433	0.6
59.06112	1.3
60.04037	0.4
60.04523	3.5
61.02929	0.5
63.98934	0.4
67.05494	0.8
68.04710	0.4
68.05045	1.1
69.03420	0.6
69.07053	0.5
70.06590	0.5
70.98128	0.7
71.01355	1.9
71.23590	0.6
71.95264	0.5
72.06899	0.4
72.99452	1.1
74.97605	5.2
75.05600	3.3
76.03991	1.1
79.05492	5.5
80.05000	0.6
80.84240	0.4
81.03382	0.4
81.07054	0.5
81.99986	5.3
83.06089	0.4
84.96029	0.8
85.02914	1.8
86.97601	0.8
87.05585	8.8
88.99164	1.3
89.00783	0.6
89.33965	0.4
90.01549	0.9
91.00513	49.1
91.05481	2.7
91.50700	1.2
92.98624	0.8
93.07015	2.0
93.50813	0.6
93.99960	0.8
94.04055	2.3
95.04948	2.4
95.06071	0.9
96.06870	1.4
97.99184	1.7
98.01299	0.9
98.97595	0.7
99.02082	2.2
99.08104	0.6
100.01030	35.9
100.51256	1.1
100.99091	1.9
102.51302	7.8
103.00497	1.2
104.01289	0.4
105.00252	0.7
105.07021	0.5
107.00203	0.9
107.01855	0.5
107.04945	5.1
107.08597	4.7
108.04483	0.8
108.08099	0.8
109.00986	0.6
109.01614	0.8
109.06506	0.6
109.07640	1.2
111.51814	3.7
112.01017	17.5
112.51209	1.3
112.55762	0.9
113.01705	0.5
113.02380	7.7
114.02084	0.8
114.51266	0.4
116.00228	1.0
116.98634	0.8
117.06701	0.5
119.00151	2.7
119.03557	4.9
119.06033	0.5
121.01536	40.3
121.51707	2.5
123.51836	1.7
130.02072	0.6
130.96558	0.5
131.00259	0.5
131.01950	0.5
132.52328	3.7
133.01689	0.5
134.99646	0.9
135.04408	6.0
135.05513	1.3
135.06631	1.0
135.08028	2.6
135.09137	0.9
135.11662	1.5
136.02159	20.8
136.06175	100.0
137.01196	0.8
137.04584	4.9
144.98068	3.4
146.99652	1.3
148.97539	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Chavicol
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	0.7
55.05506	0.7
56.96571	1.4
67.05497	1.0
68.05024	1.7
70.32729	1.3
77.03923	0.4
79.05492	10.5
80.05014	0.4
80.05820	0.6
81.06153	0.3
81.07037	0.8
83.06102	0.3
91.05477	4.8
92.02628	0.4
92.05808	0.3
93.05746	0.4
93.07037	5.9
95.04956	4.5
95.06015	0.7
96.06865	0.7
103.05460	0.4
105.04517	0.6
105.07021	3.1
106.07367	1.2
107.04951	100.0
107.07714	2.4
107.08585	7.1
108.04544	0.6
108.05275	3.9
108.08170	0.3
108.08901	0.3
109.01090	2.0
109.06512	0.4
109.07664	0.4
115.05442	0.9
117.07008	0.6
118.06487	0.3
119.08582	0.5
120.34419	0.3
121.01524	0.7
121.02324	0.3
134.06821	3.5
135.04439	8.3
135.05513	0.9
135.07050	4.0
135.08052	9.2
135.11667	3.9
136.02158	44.4
136.03894	1.8
136.05011	0.8
136.06181	5.5
136.07561	2.8
136.08635	1.1
136.11166	0.3
137.04680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
54.90552	1.7
55.01856	5.1
56.96329	2.4
56.96563	28.6
57.03178	2.4
57.03435	28.9
58.03753	2.3
58.06586	13.3
58.99849	2.2
60.04504	2.1
60.08133	2.2
62.54868	1.6
67.05503	2.1
68.02628	2.5
69.03427	8.2
69.84924	11.4
69.85226	3.3
70.06560	3.8
71.01347	3.7
71.04986	2.7
71.06916	4.2
72.05318	5.1
73.02502	2.1
73.02914	36.9
73.08508	3.9
73.08920	9.5
74.03251	2.6
74.06083	3.1
75.01026	2.0
75.69614	1.7
77.00900	4.2
79.05478	11.2
80.05013	1.8
81.03403	7.8
84.01579	2.6
85.02873	9.4
86.52646	2.7
87.02763	2.2
87.05598	4.0
87.52542	2.1
88.02682	4.0
88.52741	4.7
89.02541	7.8
89.07958	5.1
90.01550	24.1
91.05486	11.9
91.09521	5.9
93.07027	7.6
94.01744	3.8
94.03516	2.0
94.53311	2.4
95.04964	4.1
95.52364	2.0
97.02876	3.9
98.01329	2.6
98.97562	8.1
99.02074	36.6
99.06397	3.6
100.02493	9.1
100.03461	2.5
101.00872	3.6
101.02570	6.2
101.52346	4.7
102.02269	8.2
102.09158	4.6
102.52509	8.7
103.00544	3.1
103.02312	7.5
103.53719	2.3
104.01279	2.8
105.06962	2.0
107.04935	8.0
107.08585	7.7
109.01067	2.8
109.02857	2.2
110.52876	4.2
111.52970	5.0
112.01032	2.3
112.02795	6.1
113.00875	5.9
113.01804	14.8
114.03348	2.4
114.53069	2.8
115.02381	2.0
116.00300	1.9
116.03077	2.7
116.98609	8.0
118.03516	10.7
118.08644	4.6
119.01214	2.3
119.01931	17.4
119.03580	9.0
119.04890	2.0
120.02003	24.1
120.03259	4.5
120.53463	2.2
121.01619	35.4
121.02343	3.4
121.03295	3.0
122.02316	7.0
122.03619	2.4
123.03844	4.4
123.66666	1.7
124.52514	2.2
125.02551	4.2
125.56267	2.0
126.02180	3.1
127.58482	1.8
131.01901	100.0
132.01950	9.9
132.04271	1.9
132.54066	1.8
133.01668	7.3
133.03397	2.5
134.03625	2.1
134.99634	11.8
135.03426	2.6
135.04391	14.7
135.05362	2.9
135.07980	4.6
135.12125	21.1
136.02148	52.5
136.03831	2.5
136.05075	1.8
136.06194	2.8
136.07581	3.4
136.09666	5.4
137.02954	6.1
138.03026	8.7
139.02704	7.3
142.03525	13.6
143.03595	29.7
144.03209	25.0
145.03455	2.3
149.02948	40.7
150.03122	3.0
153.00772	3.6
154.03491	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	2.1
55.01878	0.5
55.05503	1.6
58.05320	0.8
59.34243	0.4
65.03922	0.7
70.65018	1.7
71.04981	1.0
76.87632	0.4
77.03901	0.6
79.05485	7.1
87.05566	0.7
91.05476	14.2
92.05797	0.6
93.07049	4.1
95.04967	2.5
97.02873	0.7
103.05453	4.3
105.07024	51.4
106.07347	1.8
107.08567	0.8
115.05463	3.0
117.07010	4.8
118.07800	5.9
131.08568	7.9
133.02853	1.6
133.06494	17.5
133.10121	100.0
134.05995	0.9
134.06949	1.4
134.09557	0.5
134.10460	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	Unknow
Peak:m/z	Relative Intensity
50.04492	0.5
53.03943	3.0
55.05511	3.9
67.05479	1.1
69.03406	0.6
71.04981	1.6
71.17968	1.3
72.27556	0.6
77.03912	1.3
79.05482	5.4
91.05476	25.4
92.05803	1.3
93.07030	5.2
95.04949	2.2
103.05464	3.8
105.03387	0.9
105.07024	72.8
106.07348	2.4
107.08611	1.0
115.05463	4.5
116.06238	1.2
117.07023	6.6
118.07809	6.8
129.06934	0.8
131.08563	8.4
133.02841	2.8
133.06506	9.7
133.10121	100.0
134.05984	2.1
134.06973	1.3
134.10474	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02375	0.5
53.03932	1.9
55.05511	1.9
56.47502	0.4
65.03938	0.5
67.05502	0.4
69.03433	0.4
69.93065	0.3
69.95631	0.4
70.85455	0.6
70.92725	0.3
71.04990	1.1
77.03905	0.4
79.05490	5.0
84.28525	0.4
85.54446	0.3
88.02206	0.7
91.05476	14.4
92.05815	0.6
92.45460	0.3
93.07037	4.4
94.99043	0.3
95.04979	1.9
97.02888	0.5
98.20755	0.4
103.05484	2.2
105.03409	0.5
105.07022	50.5
106.06612	0.7
106.07367	2.0
107.01707	0.4
107.08581	0.8
115.05449	4.0
116.06255	0.9
116.91541	0.3
117.07014	3.1
118.07800	4.4
122.46104	0.4
129.07030	0.5
131.08543	5.4
132.08911	0.4
133.01971	0.4
133.02829	2.1
133.06505	9.8
133.10118	100.0
134.06004	1.2
134.06961	0.8
134.10469	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02370	0.7
53.03938	2.0
55.01865	0.9
55.05503	1.9
56.96557	0.6
58.05333	0.7
63.84682	0.6
67.05504	0.7
69.03422	0.8
69.31929	3.8
69.32363	2.5
71.04990	1.8
74.06078	0.7
77.03954	0.6
79.05489	6.8
79.78941	0.5
85.63004	0.6
87.05598	0.8
91.05478	19.0
92.05816	0.8
93.07052	5.5
95.04957	2.2
103.05455	3.0
105.03404	1.5
105.07024	67.6
106.06581	0.8
106.07355	2.8
107.08573	1.2
115.05463	6.2
117.07015	5.8
118.07797	5.9
131.08562	9.8
133.02840	3.5
133.06499	11.2
133.10121	100.0
134.06071	1.2
134.07080	2.2
134.10443	6.2
135.75954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05502	1.1
70.48588	0.6
70.48920	2.2
79.05474	2.6
83.45174	0.6
85.65289	0.6
91.05475	12.5
93.07032	4.1
95.04962	1.0
101.42223	0.6
103.05450	1.9
105.07023	34.3
106.07334	0.8
107.08575	1.1
115.05505	2.8
117.07021	4.6
118.07770	5.7
131.08563	4.2
133.10118	100.0
134.10457	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03939	1.3
55.01872	3.3
55.05499	0.8
69.34947	5.1
74.95940	0.4
77.03914	1.1
79.05486	13.2
80.05832	0.6
86.69739	0.4
91.05472	10.1
93.07024	1.5
95.04969	3.1
96.01173	0.5
98.21497	1.0
103.05464	8.7
105.07025	98.6
106.07359	4.6
107.04948	1.9
107.08576	0.6
107.21793	0.5
115.05449	6.0
116.06271	0.9
117.07007	3.5
118.07780	3.0
118.95940	0.4
119.04951	0.6
131.04907	2.0
131.08551	3.0
133.06485	100.0
133.10120	60.1
134.06767	5.7
134.10474	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01859	0.6
55.05505	2.2
55.89413	0.5
58.05336	1.4
67.05505	0.9
69.03407	0.5
69.59010	1.1
69.59437	2.8
71.04984	1.8
74.06063	0.7
77.03913	0.5
79.05488	7.9
85.04044	1.1
86.04816	0.5
87.05602	0.9
88.02212	1.0
91.05478	20.1
92.05809	0.9
93.07038	4.0
95.04955	2.6
97.02901	0.6
98.21468	0.8
103.05474	3.6
105.03416	0.5
105.07024	66.8
106.06562	0.5
106.07355	2.6
107.06094	0.6
107.08595	1.3
115.05445	5.2
116.06232	1.3
117.07014	5.1
118.07807	6.5
126.95847	0.4
129.07088	0.6
131.08556	7.3
133.02849	1.6
133.06502	13.1
133.10123	100.0
134.06004	1.1
134.07047	2.1
134.09555	0.7
134.10454	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02394	0.5
51.72325	0.5
53.03938	1.6
55.01870	2.5
55.05501	1.5
56.55089	0.4
71.10555	1.0
71.15441	0.5
73.02909	0.7
77.03913	0.6
78.04700	0.5
79.05494	10.0
79.30293	0.4
80.15287	0.5
91.05478	12.2
93.07034	3.4
95.04953	2.6
103.05469	7.7
104.89456	0.5
105.07026	97.8
106.07361	3.0
107.04935	2.0
107.08580	0.9
109.06568	0.5
115.05451	7.2
116.06210	1.6
117.07014	5.7
118.07804	5.5
119.92628	0.4
131.04930	1.2
131.08563	4.4
133.06488	100.0
133.10123	78.2
134.06877	3.8
134.10457	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.30267	0.3
53.03941	0.7
54.39183	0.3
55.01867	2.7
55.41570	0.3
70.91370	1.0
76.48808	0.3
79.05484	9.1
80.05817	0.4
88.66685	0.3
91.05484	1.2
94.77435	0.3
95.04961	2.4
103.05455	6.6
105.07019	77.6
106.07352	3.0
107.04948	1.4
115.05437	3.0
131.04942	1.3
133.06477	100.0
134.06786	5.1
143.06004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	1.1
55.05508	2.0
58.05333	1.0
65.03942	0.4
69.68099	1.6
69.68527	1.5
74.06088	0.6
75.05583	0.5
79.05484	6.1
85.04019	0.8
87.05599	0.6
91.05477	14.8
92.05824	0.7
93.07037	8.2
95.04959	1.9
103.05446	2.9
105.07021	100.0
106.07357	4.2
107.08582	0.7
115.05463	3.3
116.06276	0.8
117.07001	4.8
117.35161	0.4
118.07800	4.8
129.07050	0.6
131.08549	6.7
133.02812	0.5
133.06500	9.7
133.10120	67.9
134.06073	0.8
134.06992	1.0
134.10455	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02371	0.6
53.03941	4.0
53.25770	0.4
55.01860	1.6
55.05503	3.1
56.05020	0.5
56.96566	0.8
57.04562	0.5
58.05338	3.7
58.06584	0.4
59.06120	0.9
60.04517	0.7
65.03918	0.6
67.05485	0.8
69.03412	1.3
71.04984	3.8
71.06116	0.4
71.53963	0.7
71.54314	0.4
72.04495	0.5
73.02911	0.5
73.04044	0.4
74.02428	0.6
74.06057	1.7
75.05601	3.0
77.03915	0.9
79.05488	11.5
85.04028	3.1
87.05579	1.8
88.02203	1.4
88.07631	1.3
90.04705	0.9
91.05477	17.1
92.05782	0.5
93.07037	2.7
95.04948	3.0
98.06067	0.5
103.05463	8.2
105.03375	1.4
105.07022	100.0
106.06561	1.1
106.07354	2.9
107.06082	0.6
115.05486	4.1
115.08684	0.7
116.07085	0.9
117.06997	2.6
118.04153	4.6
118.07796	3.1
131.04898	1.1
131.08559	4.6
132.05731	0.4
133.02835	1.8
133.06485	71.3
133.10124	44.4
134.05130	0.4
134.05981	1.4
134.06909	3.9
134.10455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01869	4.1
55.05495	0.8
56.04998	0.4
56.96558	0.5
57.04540	0.5
58.05330	2.0
59.06117	0.7
60.04507	0.4
69.03419	0.5
69.75349	2.5
70.06579	0.5
71.04990	2.5
73.02903	0.4
74.02409	0.5
74.04853	0.3
74.06068	1.4
75.05603	1.8
77.03909	0.5
79.05491	13.9
85.04027	1.7
87.05590	0.8
88.02218	0.7
88.07631	0.6
91.04967	0.5
91.05477	6.6
92.07125	0.6
93.07038	0.9
95.04963	3.2
97.02877	0.5
103.05465	8.1
104.05787	0.5
105.03412	1.1
105.07024	98.8
106.06612	0.6
106.07349	4.6
107.04956	1.0
107.71492	0.4
109.06530	0.4
115.05480	4.9
116.07072	0.6
117.07012	1.0
118.07813	1.1
126.64725	0.4
131.04919	1.6
131.08582	1.4
132.05716	0.5
133.02835	1.3
133.06483	100.0
133.10126	20.3
134.05959	1.7
134.06851	5.6
134.10489	1.0
143.06036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03951	2.4
55.01870	2.8
55.05497	0.3
56.36626	0.3
57.04549	0.3
58.05342	1.3
59.06111	0.8
69.03407	0.3
69.50765	1.4
69.51187	0.9
71.04980	1.3
74.06074	0.6
75.05597	1.1
77.03907	0.3
77.16986	0.3
79.05487	12.3
80.05801	0.5
83.85864	0.2
85.04020	1.3
87.05586	1.0
88.07600	0.4
91.05498	2.4
93.07024	0.6
94.04211	0.3
95.04968	2.5
98.06031	0.3
98.21497	0.5
103.04792	0.4
103.05466	7.4
105.07027	86.7
106.07337	2.8
107.04944	1.0
111.59254	0.3
115.05466	3.9
118.04163	0.3
129.27394	0.3
131.04910	1.8
131.08604	0.6
132.05678	0.3
133.06487	100.0
133.10118	3.8
134.05974	0.5
134.06845	3.5
143.05962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03933	1.1
55.01869	3.0
55.05492	0.8
62.03339	0.2
69.03383	0.2
71.28162	0.5
71.28497	0.3
73.02908	0.3
77.03912	0.5
79.05486	11.2
80.05830	0.3
85.02892	0.3
91.05472	7.7
92.05777	0.4
93.07029	1.8
94.71057	0.3
95.04971	2.6
101.43738	0.3
103.05460	7.4
105.07020	90.6
106.07342	5.0
107.04952	1.7
107.08587	0.4
115.05442	5.1
116.06221	0.8
117.07018	2.6
118.07804	2.9
119.04933	0.5
129.06941	0.3
131.04932	1.3
131.08534	2.9
133.06479	100.0
133.10112	46.4
134.06772	6.2
134.09523	0.4
134.10452	3.0
143.06116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
56.01392	0.4
56.05027	1.2
57.03428	1.6
58.06595	0.9
59.06118	1.3
60.04532	0.6
62.19151	0.4
64.82401	0.4
65.03918	0.4
69.03426	0.7
70.03762	1.3
70.85577	0.4
70.94664	0.5
70.94997	0.7
71.04953	0.5
72.04500	0.9
72.08148	0.9
80.26311	0.4
83.02468	0.5
83.06094	0.7
84.04507	0.5
85.02909	0.6
85.08493	0.8
86.06050	1.0
86.09686	0.7
87.05596	1.0
88.09563	0.5
89.07129	0.5
91.05474	57.0
92.05795	2.4
95.04974	0.9
98.04763	0.9
98.08463	0.4
103.05458	20.5
104.05798	1.3
113.07160	1.7
113.07944	5.1
115.05450	4.7
116.06230	17.4
117.06557	0.5
123.59637	0.3
128.06137	0.5
129.06995	13.0
130.07336	0.8
131.04922	4.6
131.08554	100.0
131.16249	0.6
132.04460	0.9
132.06563	1.1
132.08035	0.3
132.08893	7.5
133.06471	1.4
139.12830	0.4
148.99335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05013	2.4
57.03426	0.8
57.07071	43.8
58.02948	0.8
58.06606	1.0
58.07408	1.4
59.06108	2.2
60.04519	0.9
67.05519	1.0
69.03069	1.3
69.03424	19.2
69.07049	2.7
70.06575	2.9
70.28814	3.0
70.29172	1.4
71.04977	0.7
72.04502	1.8
72.08157	6.0
74.09714	35.2
74.33453	0.7
84.04517	4.1
84.08138	18.1
85.07674	3.7
86.06052	0.9
87.09220	3.0
91.05457	2.1
97.84407	0.8
103.05454	12.2
112.07595	67.5
113.07124	4.4
113.07928	3.7
116.06236	0.9
130.02138	1.6
130.06555	9.0
130.08640	22.9
130.09645	1.6
130.15906	100.0
131.04915	2.1
131.08545	3.1
131.16246	6.1
142.56575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03941	2.1
58.41777	0.2
64.87250	0.2
70.03767	0.5
70.75240	0.8
77.03928	0.6
85.08472	0.5
91.05477	0.4
95.04961	5.1
102.04684	0.7
103.05460	54.7
104.05779	2.4
105.04494	0.9
113.07923	1.0
116.06251	0.4
131.04918	100.0
132.04305	0.4
132.05249	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02383	0.3
53.03945	1.8
60.61561	0.2
70.17808	0.4
70.18217	0.8
77.03925	0.6
91.05488	0.3
95.04964	4.0
96.05268	0.3
97.21069	0.2
102.04683	0.7
103.05464	45.3
104.05798	2.0
105.04503	0.8
110.57838	0.2
113.07967	0.5
131.04922	100.0
132.05246	4.7
146.72949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
56.01392	0.4
56.05027	1.2
57.03428	1.6
58.06595	0.9
59.06118	1.3
60.04532	0.6
62.19151	0.4
64.82401	0.4
65.03918	0.4
69.03426	0.7
70.03762	1.3
70.85577	0.4
70.94664	0.5
70.94997	0.7
71.04953	0.5
72.04500	0.9
72.08148	0.9
80.26311	0.4
83.02468	0.5
83.06094	0.7
84.04507	0.5
85.02909	0.6
85.08493	0.8
86.06050	1.0
86.09686	0.7
87.05596	1.0
88.09563	0.5
89.07129	0.5
91.05474	57.0
92.05795	2.4
95.04974	0.9
98.04763	0.9
98.08463	0.4
103.05458	20.5
104.05798	1.3
113.07160	1.7
113.07944	5.1
115.05450	4.7
116.06230	17.4
117.06557	0.5
123.59637	0.3
128.06137	0.5
129.06995	13.0
130.07336	0.8
131.04922	4.6
131.08554	100.0
131.16249	0.6
132.04460	0.9
132.06563	1.1
132.08035	0.3
132.08893	7.5
133.06471	1.4
139.12830	0.4
148.99335	0.4
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
53.03944	3.5
54.03456	2.1
55.01853	1.2
55.05510	11.1
56.05035	6.4
57.07074	6.2
58.06581	1.5
58.39743	0.5
65.03926	1.9
66.03463	0.7
67.05500	43.7
68.05021	4.3
68.05816	1.2
69.03432	0.6
69.04564	1.3
69.07054	2.5
69.46939	5.7
70.06574	2.8
78.03465	0.6
79.05052	1.1
79.05489	15.3
80.05014	10.4
81.03394	1.7
81.04538	9.5
81.07052	100.0
82.05313	1.3
82.06566	1.0
82.07391	2.5
83.05617	1.3
83.06099	14.7
85.79430	0.6
91.05493	1.2
92.01607	0.5
93.07039	9.8
94.07834	1.4
95.04962	24.4
95.05551	1.2
95.06073	1.1
95.08600	64.3
96.04498	5.6
96.05328	1.0
96.06417	0.8
96.08148	0.8
96.08947	2.8
97.07647	7.8
97.08215	0.6
100.02468	5.5
101.02587	0.6
105.04555	1.7
105.07016	3.7
106.06606	0.6
106.07353	1.7
107.04971	1.1
107.06071	10.8
108.05733	7.0
108.07677	1.5
112.03999	1.8
114.23717	0.6
118.03529	5.6
119.01957	1.8
121.10146	1.3
123.04474	8.4
123.05589	20.0
123.08110	30.2
123.09174	1.6
123.09920	4.0
123.11696	37.0
124.03947	15.1
124.05930	1.0
124.07679	1.4
124.08718	15.4
124.12077	1.7
140.03448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26097	0.7
53.03936	2.2
54.03469	0.8
55.05507	3.4
56.05028	1.7
56.96560	1.7
57.07066	3.7
67.05166	1.5
67.05502	16.6
68.04987	0.8
69.07069	1.9
69.32243	9.3
70.06555	0.9
79.01850	1.5
79.05492	13.3
80.05007	11.0
80.05800	1.1
80.33722	0.9
81.04565	2.2
81.07053	100.0
82.01448	1.6
82.07394	3.3
82.22977	0.8
83.06101	2.6
84.51447	0.9
93.07046	2.1
95.04961	15.9
95.08604	12.5
95.57275	0.7
96.04487	7.0
97.07661	2.5
100.02478	9.1
105.04509	0.8
105.07007	1.6
106.07363	0.9
107.06078	2.2
108.07708	0.9
112.03970	2.6
118.03516	11.0
123.04453	6.1
123.05551	30.2
123.08102	9.1
123.09973	2.2
123.10799	1.4
123.11700	23.3
124.03046	1.1
124.03951	20.6
124.05862	1.5
124.07624	1.4
124.08684	3.3
124.12016	0.9
135.86008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
52.31936	0.2
56.05030	0.4
57.07064	0.2
60.06416	0.3
65.93531	0.2
67.05495	0.7
69.03427	27.1
69.07066	3.7
70.03770	0.5
70.06570	0.3
70.61976	0.7
70.62365	0.5
71.04990	0.6
72.04509	0.3
72.08164	0.3
82.06589	1.4
84.04506	0.3
84.08141	14.8
84.17543	0.2
85.07716	0.4
85.08480	0.5
94.06542	0.6
112.07600	100.0
113.07230	0.4
113.07928	4.3
130.08636	32.4
130.78096	0.3
131.08997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03943	4.5
54.03466	2.1
55.05508	13.5
56.05025	4.6
57.07067	1.0
65.03929	2.1
67.05502	62.1
68.05026	3.5
68.05824	1.8
69.04540	0.9
69.54104	4.6
69.54516	1.7
70.06583	2.3
71.54057	0.7
79.01826	0.7
79.05491	7.3
80.05013	12.2
80.06266	1.4
81.03419	6.1
81.04541	8.0
81.07050	23.2
82.07406	1.0
83.05637	1.4
83.06100	9.5
88.02356	1.0
91.05479	2.1
93.07045	11.1
95.04967	51.9
95.08602	46.5
95.63387	0.6
96.04494	6.3
96.05310	2.1
96.08956	1.5
97.02896	0.9
97.07640	6.6
100.02477	11.3
105.04498	1.2
105.07024	3.4
107.04970	0.8
107.06080	6.4
108.05752	3.3
108.07653	1.5
112.03970	1.9
118.03520	11.7
118.04307	1.2
119.01980	1.0
119.03600	1.0
123.04458	9.3
123.05566	29.4
123.08075	100.0
123.09864	3.4
123.11687	5.8
124.03959	20.5
124.04873	1.1
124.05906	1.2
124.07556	1.5
124.08711	16.5
133.41978	0.7
137.02979	0.7
140.03444	1.2
141.05045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
54.03456	3.0
55.01874	0.8
55.05514	4.4
56.05033	6.9
56.96579	0.8
57.07069	4.1
57.22546	0.5
58.06589	0.9
65.03929	0.8
67.05502	18.9
68.05015	4.5
69.04544	1.7
69.07066	1.5
69.58302	5.2
70.06599	2.6
79.01893	0.6
79.05490	14.9
80.05013	11.8
81.03430	0.7
81.04540	11.2
81.07051	100.0
82.01437	0.8
82.04884	0.7
82.05313	1.5
82.06591	0.7
82.07377	2.2
83.05672	0.6
83.06098	16.9
84.06892	0.7
93.07041	2.1
94.06520	0.6
95.04963	31.9
95.06066	1.7
95.08597	14.3
96.04489	6.2
96.05270	1.2
96.08945	0.9
97.07645	8.2
98.21433	1.2
100.02475	7.9
105.04501	1.7
105.07021	1.3
106.07378	1.2
107.06078	9.6
108.05700	2.1
108.07661	2.2
112.03973	1.5
118.03512	7.9
119.01907	2.1
119.03562	0.7
121.10133	0.8
123.04429	12.0
123.05546	25.8
123.06507	1.3
123.07311	1.4
123.08157	10.9
123.09184	1.8
123.10029	4.7
123.11696	23.2
124.03944	19.6
124.04934	0.8
124.05892	1.0
124.07716	1.5
124.08703	19.8
124.12008	1.5
137.02913	0.9
140.03455	1.8
141.05075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03940	3.1
54.03469	2.0
55.01860	0.7
55.05500	2.8
56.05031	5.8
57.07065	1.1
58.06597	1.3
64.64368	0.7
67.05501	16.5
68.05017	2.5
68.05826	0.6
69.03434	0.7
69.04543	1.4
69.07070	0.7
69.56490	2.0
69.56918	3.1
70.06581	2.6
72.39755	0.5
79.05481	11.4
80.05009	8.0
80.05802	0.7
80.06271	0.7
81.04523	6.5
81.07050	23.7
81.85082	0.7
82.05311	1.0
82.06600	0.6
82.07405	0.9
83.06092	11.0
93.07042	4.9
95.04352	1.2
95.04961	21.7
95.05993	0.9
95.08598	38.7
96.04481	4.2
96.08941	1.9
97.07651	6.3
99.37184	0.6
100.02476	7.4
103.05452	1.0
105.04539	1.2
105.07022	11.3
106.07362	1.8
107.04966	6.7
107.06068	8.0
108.05731	43.3
108.07681	2.1
109.06082	1.9
112.03944	1.3
118.03521	8.8
119.01918	1.5
119.03606	0.9
121.06495	7.2
121.10134	0.6
123.04449	6.8
123.05556	17.5
123.08067	100.0
123.09908	5.2
123.11668	7.0
124.03954	14.4
124.04991	1.4
124.05907	1.1
124.07569	1.4
124.08696	15.6
124.12093	0.8
125.05975	0.8
137.02953	1.2
140.03448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	4.0
58.99853	1.3
62.61969	1.0
69.87326	6.4
77.00897	1.9
80.04997	1.6
80.12708	1.0
82.01436	11.4
91.00503	1.9
95.04920	1.7
98.21421	1.0
100.02475	100.0
101.00848	2.8
101.02563	7.6
105.03934	0.9
118.01146	2.6
118.03514	87.0
119.01910	30.0
119.03596	8.0
121.01453	1.4
123.04022	2.7
123.05518	2.9
124.03963	5.1
133.03526	1.1
137.02943	19.5
141.05075	3.2
142.03481	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01875	1.0
56.05042	1.1
56.96564	14.9
57.03424	1.8
58.99493	0.5
58.99858	1.8
61.02931	0.7
64.43060	0.7
67.05480	1.3
69.03408	1.4
71.32665	1.5
71.95245	0.6
73.02909	0.8
76.58158	0.7
77.00887	2.3
80.05011	3.2
81.03421	1.7
81.04516	0.9
81.07047	0.8
82.01440	12.3
82.06590	0.7
83.00780	1.1
83.01503	0.7
83.06086	3.1
84.01552	1.0
85.02911	1.2
91.00507	2.3
92.01292	0.8
95.01346	1.3
95.04978	5.6
95.52361	1.3
96.04463	1.8
97.02877	1.6
98.97594	3.4
100.01143	2.7
100.02478	100.0
101.00868	7.4
101.02548	5.3
101.61555	0.5
106.01061	0.6
107.06078	1.3
109.00543	1.7
109.02866	1.9
110.01279	2.2
110.97491	0.7
111.02895	0.8
116.98639	3.0
118.01064	2.8
118.03517	90.8
119.01915	69.1
119.03599	6.2
119.04821	0.6
120.02565	1.1
120.18824	0.6
121.01549	2.3
121.02317	0.7
123.04385	6.7
123.05550	8.4
123.06533	0.8
123.09152	1.1
124.03948	11.6
124.07582	2.1
124.08692	1.7
128.98590	0.8
131.01891	0.6
132.52289	0.7
133.03511	0.6
133.88510	0.6
134.99666	0.8
136.04535	1.1
136.12280	0.6
137.02951	39.5
141.05040	2.8
142.03499	5.8
142.05164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	0.7
53.03942	4.4
54.03465	3.3
55.01862	1.3
55.05506	4.6
56.05030	7.3
56.96542	1.0
57.07077	3.2
58.06584	1.4
59.19870	0.6
64.01418	0.7
65.03931	2.2
67.04231	0.8
67.05502	25.0
68.05027	5.5
68.05835	1.1
69.04560	0.7
69.07069	1.3
70.05321	2.5
70.05734	1.2
70.06580	4.0
78.03455	0.9
79.05484	15.0
80.05010	15.8
80.05798	0.9
80.06268	1.1
81.03423	1.2
81.04538	10.0
81.07050	47.8
82.01469	0.8
82.05318	1.4
82.06577	1.5
82.07389	1.5
83.05660	1.0
83.06095	15.9
88.02387	1.0
90.04682	0.6
91.05470	1.4
93.07041	6.3
95.04961	41.6
95.06066	2.2
95.08601	43.6
96.04485	10.4
96.05267	1.3
96.08178	0.7
96.08939	2.0
96.43293	0.6
97.07642	9.6
98.20822	0.8
100.02473	13.0
101.02557	1.6
103.05475	1.8
105.03387	0.8
105.04515	1.7
105.07012	10.9
106.07359	2.8
107.04961	7.2
107.06066	9.7
107.07304	0.6
108.05733	44.7
108.07656	3.7
109.06069	1.1
112.03928	4.4
118.03516	15.5
119.01930	2.8
119.03617	1.4
121.06503	6.0
121.10110	1.5
123.04456	12.0
123.05565	40.7
123.08075	100.0
123.09923	8.6
123.11690	15.2
124.03945	32.1
124.05894	2.0
124.07591	1.3
124.08699	23.0
135.05592	0.9
137.02956	2.2
140.03424	2.1
141.05072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03940	9.8
54.03465	3.5
55.05495	4.8
65.03934	2.0
67.05487	2.4
68.73409	1.4
69.26308	5.5
69.26729	11.2
77.03917	2.0
79.05490	53.0
80.75027	1.4
81.04539	7.5
81.07049	4.8
82.05316	7.3
91.05470	35.8
92.05769	1.6
93.07037	92.6
94.07354	2.3
95.04953	21.8
95.06082	3.4
96.02742	1.5
103.05454	16.1
105.04487	4.4
105.07025	96.4
106.07877	8.4
106.24161	1.4
107.07332	11.8
112.08594	1.4
119.07918	1.4
119.08596	16.2
120.08938	1.6
121.02878	2.2
121.04014	1.7
121.06490	6.9
121.10134	100.0
122.06057	3.8
122.07146	43.5
122.08042	2.4
122.09657	19.7
122.10481	3.6
122.37556	1.7
123.08051	13.6
133.07613	5.7
135.26157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
54.03453	3.9
61.81685	0.9
69.67322	2.1
69.67730	5.7
74.46319	1.0
79.05488	31.8
81.04549	6.1
82.05317	9.1
89.67549	1.1
91.04954	1.5
91.05473	14.4
93.07030	28.3
94.06556	1.4
95.04960	11.2
95.06059	1.9
98.21420	2.0
103.05465	15.8
105.04536	2.4
105.07021	100.0
106.07921	5.4
107.04947	30.0
107.07323	4.1
119.08572	15.3
121.02897	1.7
121.06503	16.8
121.10132	84.8
122.06126	1.6
122.07172	54.1
122.09639	11.5
122.10494	4.2
123.08046	19.7
133.07628	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34053	0.7
58.99842	1.4
69.35606	2.0
69.36018	7.3
71.06173	0.8
72.87399	0.8
77.00904	1.3
78.55943	0.7
82.01435	11.7
98.20732	1.1
100.02477	100.0
101.00866	2.2
101.02509	4.7
118.03514	89.7
119.01919	31.1
119.03587	3.8
123.04052	2.2
123.05552	1.0
137.02946	20.6
141.05106	3.7
142.03510	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13626	5.1
56.96568	61.5
58.95411	18.4
59.06122	17.2
60.04553	4.8
60.59449	5.2
62.77647	5.2
69.03433	10.6
70.39082	16.8
71.02971	5.7
72.08139	5.3
75.05608	7.0
78.70094	5.3
81.03425	6.8
82.01433	9.2
83.52351	15.0
84.34251	5.4
92.52906	5.8
93.53480	18.1
94.53309	4.9
98.97577	71.5
100.02471	39.4
101.02592	7.8
102.02259	8.8
103.54790	9.5
106.05062	21.0
109.02879	8.7
112.07616	20.1
112.54443	6.0
114.11375	5.2
115.05575	11.2
116.98627	100.0
117.06576	5.6
117.10256	8.4
118.03537	47.3
134.99663	73.2
136.00107	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87508	3.8
55.01861	4.7
56.05025	5.4
56.96550	15.4
58.06581	5.1
58.99864	4.0
59.06123	95.0
59.16750	3.3
60.04527	34.4
61.02915	6.4
67.05501	5.3
69.03429	67.3
70.03095	17.5
71.02972	4.5
74.06064	4.5
75.05594	7.6
77.00903	3.8
78.52957	10.0
82.01429	13.4
84.52930	4.2
87.05587	13.3
87.53469	11.9
88.41329	3.4
88.81510	3.6
91.05479	85.0
93.53471	7.9
96.53976	4.9
97.02841	5.5
100.02480	80.3
101.00864	9.7
101.02560	15.2
101.07110	9.6
102.02235	8.0
103.02451	8.2
107.05215	3.8
107.53203	7.7
107.55283	4.3
112.07595	3.8
116.05759	4.5
117.03835	3.9
118.03517	72.7
119.01915	100.0
119.03604	13.5
119.06054	7.8
119.08528	15.2
120.02007	7.1
120.03252	7.7
120.05587	4.6
121.03509	6.2
123.91653	3.3
133.03476	11.7
136.04565	5.2
137.02948	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03925	1.2
59.06121	11.9
60.04516	2.0
63.63420	0.6
65.03928	2.2
71.59930	0.8
71.60252	1.0
74.06094	0.8
75.05603	0.8
77.03512	0.8
78.04694	0.8
79.05491	5.3
87.05589	2.7
91.05476	80.9
92.05814	2.7
93.07043	5.3
95.04959	2.8
103.05467	8.8
104.06261	7.7
109.06469	0.8
115.05421	3.2
117.06205	1.3
117.07011	21.6
119.08573	100.0
120.04469	0.8
120.05604	2.1
120.08900	3.9
121.06549	0.8
131.43597	0.7
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
53.03936	1.5
55.76899	0.5
59.06125	8.6
60.04501	0.7
62.54963	0.5
65.03928	1.9
71.15691	1.9
74.06045	1.0
77.03523	0.9
78.04705	0.5
79.05487	5.2
87.05588	1.7
91.05478	64.8
92.05805	1.7
93.07021	2.6
94.50904	0.6
95.04426	0.7
95.04932	3.0
103.05461	7.4
104.06251	7.5
109.06529	1.4
115.05439	2.9
117.07014	14.8
118.07324	0.9
119.08577	100.0
120.05569	1.2
120.08162	0.9
120.08919	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.2
53.03940	9.8
54.03465	3.5
55.05495	4.8
65.03934	2.0
67.05487	2.4
68.73409	1.4
69.26308	5.5
69.26729	11.2
77.03917	2.0
79.05490	53.0
80.75027	1.4
81.04539	7.5
81.07049	4.8
82.05316	7.3
91.05470	35.8
92.05769	1.6
93.07037	92.6
94.07354	2.3
95.04953	21.8
95.06082	3.4
96.02742	1.5
103.05454	16.1
105.04487	4.4
105.07025	96.4
106.07877	8.4
106.24161	1.4
107.07332	11.8
112.08594	1.4
119.07918	1.4
119.08596	16.2
120.08938	1.6
121.02878	2.2
121.04014	1.7
121.06490	6.9
121.10134	100.0
122.06057	3.8
122.07146	43.5
122.08042	2.4
122.09657	19.7
122.10481	3.6
122.37556	1.7
123.08051	13.6
133.07613	5.7
135.26157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04937	0.1
85.02900	0.5
91.05443	0.3
93.70204	0.0
97.02840	0.1
98.21404	0.0
109.01539	0.0
114.65060	0.0
115.05365	0.0
119.04937	0.9
121.02872	0.4
122.16214	0.0
123.86549	0.0
129.01772	0.1
129.05479	0.2
145.02824	0.4
147.06497	0.1
153.01816	2.4
163.03906	0.2
169.06458	0.0
171.02893	0.6
185.06059	0.1
187.03889	0.1
203.07091	0.1
225.05359	0.2
229.05052	0.2
240.73453	0.0
243.06480	0.1
247.06090	0.1
253.04926	0.1
254.05736	0.1
270.05029	0.1
271.05988	100.0
272.06305	2.9
283.05908	0.1
313.07147	0.1
345.02490	0.0
433.11212	1.2
579.17035	5.6
580.17590	0.2
689.02014	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
51.69988	0.1
52.93260	0.2
53.03937	0.2
54.26708	0.2
55.01865	1.1
55.05505	0.4
56.05024	0.7
56.96556	2.4
57.03423	0.2
58.06588	0.4
59.01970	0.1
59.06118	0.7
66.04635	0.2
68.05016	0.3
69.03414	0.3
70.06584	100.0
70.41632	0.5
70.42025	0.3
71.06303	0.3
71.06908	2.1
71.59277	0.1
72.08157	0.7
73.71382	0.2
76.07644	0.6
81.03399	0.2
90.01550	0.9
93.53472	0.7
98.06046	1.8
98.07165	0.5
99.02074	0.8
100.02489	0.4
100.07613	0.5
102.53989	0.2
109.02857	0.2
116.07081	16.2
116.10709	0.2
116.98612	0.3
117.07418	0.6
117.10228	1.3
118.03516	0.6
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
53.03941	11.1
55.01872	4.7
55.05506	3.2
62.77681	0.5
65.03930	4.3
66.04720	0.9
67.04231	0.6
67.05502	28.1
67.71098	0.5
68.05029	6.3
69.04542	2.3
69.07063	2.0
69.26249	0.6
70.43276	1.0
70.43656	1.4
72.93780	1.2
79.05488	30.3
80.04990	0.9
80.05825	0.6
81.03410	17.8
81.07049	36.1
82.06573	4.5
83.06081	0.7
86.00699	1.8
86.50626	1.2
87.00457	16.4
91.05467	9.4
92.04981	0.9
94.04179	4.3
94.47815	0.5
95.01222	0.7
95.04965	1.4
96.00988	3.9
98.21438	0.6
98.51229	3.0
98.56862	0.6
104.34905	0.7
107.04945	1.7
107.08603	1.0
109.02872	2.6
109.06512	100.0
109.07604	13.0
109.10144	18.2
110.06119	4.4
110.07209	7.9
113.96391	7.0
123.23604	0.5
123.66264	0.5
126.74018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	10.2
55.05509	10.5
59.66405	0.9
65.03938	5.3
67.05500	100.0
68.05031	5.2
68.05817	1.7
69.03429	0.9
69.04543	3.4
69.07047	4.3
70.43964	0.8
70.96030	1.4
70.96335	1.0
71.92483	0.8
72.93808	0.9
79.05486	11.8
80.05049	1.2
80.06281	1.7
81.02926	1.1
81.03411	24.5
81.07052	35.6
82.06563	4.6
82.07358	1.4
86.00676	1.5
86.50612	1.7
87.00460	21.2
91.05474	2.5
92.05001	1.0
94.04192	2.0
94.07815	1.2
96.00990	3.4
98.51259	1.0
107.08593	3.5
109.02888	5.0
109.06517	12.9
109.07638	12.0
109.10149	59.5
110.06024	6.0
110.07161	9.7
110.10485	3.0
111.96861	1.3
113.96403	7.5
129.97934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03934	3.9
54.22976	0.9
57.02687	0.9
65.03929	12.2
66.03451	1.0
67.04250	3.3
67.05493	3.9
69.24616	1.1
71.59209	1.6
79.05486	36.5
80.01205	1.1
80.05010	8.7
91.05476	100.0
92.05785	2.1
92.06293	2.3
95.04976	8.7
105.04512	1.2
105.07023	36.8
106.06498	1.0
107.04950	29.7
107.06022	6.8
107.08586	48.7
108.04471	2.1
108.05629	1.9
108.08109	2.7
108.08811	1.2
109.06503	19.7
119.06072	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.24413	0.4
53.03941	1.4
55.01867	0.7
63.02366	0.6
63.03747	0.4
65.03939	10.3
65.43221	0.4
66.04271	0.4
67.05511	1.9
69.44836	1.6
69.45264	2.3
71.31502	0.4
74.74545	0.4
79.05486	14.7
80.05013	2.0
91.05474	100.0
92.05753	2.2
92.06304	2.9
95.04958	3.3
105.04555	0.6
105.07023	34.7
106.04195	0.8
106.07376	0.8
107.04949	10.1
107.06067	1.9
107.08586	55.4
108.04482	1.0
108.05540	0.6
108.08166	0.6
108.08861	1.9
109.06512	24.7
110.06865	0.9
119.06058	6.9
124.05206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01585	0.4
50.78652	0.4
51.02360	0.9
52.77858	0.4
53.03941	33.2
54.04263	1.1
55.01861	0.5
55.10171	0.4
56.96568	0.7
67.05497	1.5
69.43223	1.2
69.43644	3.1
71.42660	0.5
81.03410	100.0
81.07020	0.6
81.63131	0.5
82.03750	3.0
83.00784	0.5
87.04278	2.1
100.02470	1.1
102.02213	0.6
109.02876	7.7
109.07661	1.1
109.10149	0.5
110.06052	0.8
118.03504	0.7
121.33362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.99282	0.4
55.01870	0.6
65.03935	9.7
67.04242	0.9
67.05497	1.7
69.28888	2.2
69.29314	2.2
79.05486	16.1
80.05013	2.3
88.34615	0.4
91.05471	100.0
91.16348	0.4
92.05746	2.1
92.06259	1.8
95.04973	3.5
103.05447	0.6
105.07020	34.6
106.04124	0.6
106.07336	0.8
107.04942	11.7
107.06072	2.4
107.08582	53.6
108.04446	0.6
108.05647	0.9
108.08913	1.9
109.06504	25.9
110.06847	0.6
119.06059	6.1
124.05187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03944	2.6
65.03939	11.1
66.04285	0.5
67.05505	3.1
71.62867	0.6
71.63248	0.7
79.05492	24.5
80.05011	2.4
80.05816	0.5
91.05476	100.0
91.13451	0.4
92.05780	2.7
92.06258	2.0
95.04971	6.2
102.79622	0.4
105.07028	34.6
106.07405	1.2
107.04948	17.9
107.06098	1.4
107.08589	51.7
108.04465	0.6
108.08249	0.4
108.08940	1.7
109.06513	24.8
110.06881	0.6
119.06071	6.2
124.05215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01878	0.9
65.03940	10.7
67.00722	0.7
67.05509	4.1
70.56942	1.1
70.57336	1.6
79.05488	30.2
80.05016	2.4
80.05820	1.0
89.45264	0.5
91.05476	100.0
92.05792	1.9
92.06261	2.6
95.04966	5.2
98.31232	0.6
103.05407	0.6
105.04504	1.2
105.07022	34.0
106.07372	0.6
107.04950	19.1
107.06096	1.8
107.08588	52.6
108.04491	1.3
108.05595	0.7
108.08140	1.2
108.08886	1.3
109.06509	21.9
119.06065	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01589	0.7
51.02374	1.3
53.03942	6.4
54.45047	0.5
60.04508	0.7
60.95849	2.1
64.36708	0.5
64.95551	1.6
65.03939	2.7
69.33210	4.6
69.33615	1.5
77.03941	1.0
79.05490	33.4
80.05821	0.8
81.03405	0.8
81.68790	0.5
92.69358	0.5
95.04964	15.3
96.99001	0.6
97.23841	0.6
103.05461	21.1
104.05768	0.6
105.03381	1.6
105.04541	4.6
105.07024	100.0
106.06541	2.0
106.07352	2.9
107.36568	0.5
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
50.01582	0.2
51.02370	0.7
53.03700	0.4
53.03942	5.2
53.11491	0.2
55.01868	1.1
56.96560	0.3
65.03934	0.3
67.05489	0.3
69.61309	1.2
69.61723	0.4
77.03938	0.7
78.04691	0.2
79.05489	13.4
79.11568	0.2
80.05010	1.0
80.05821	0.2
81.03410	0.5
82.68263	0.2
91.05478	3.5
93.05771	0.3
95.04963	14.3
96.05295	0.4
96.31704	0.2
105.04506	2.1
105.07017	1.4
106.06555	0.2
107.04948	100.0
107.08588	1.8
108.04473	0.7
108.05293	3.0
108.08114	0.9
109.06496	0.7
119.06096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03936	2.3
55.01868	0.5
55.05536	0.4
64.82401	0.4
65.03935	10.8
67.04237	2.2
67.05492	3.3
71.61946	0.8
77.03873	0.4
79.05489	31.7
79.12580	0.4
80.05017	4.8
80.05808	0.7
84.01542	0.5
91.05475	100.0
92.05726	2.1
92.06297	3.1
93.05748	0.5
95.04965	5.9
96.34814	0.4
105.04602	1.0
105.07025	30.5
106.06588	0.5
106.07367	0.5
106.91112	0.4
107.04952	18.3
107.06043	3.7
107.08585	49.2
108.04453	1.4
108.05562	2.0
108.08133	1.1
108.08920	1.8
109.06509	21.6
110.06786	0.5
118.23371	0.4
119.06058	5.9
120.06313	0.4
124.05202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03945	5.9
59.65392	0.3
62.23753	0.4
65.03929	1.2
70.08561	2.2
73.51859	0.4
77.03922	0.8
79.05486	34.1
80.05816	0.7
81.03406	0.7
85.63905	0.4
87.70051	0.4
95.04963	14.5
96.05343	0.5
103.05463	20.7
104.05749	0.5
105.04577	2.4
105.07022	100.0
106.06618	0.7
106.07357	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03948	6.1
54.16555	0.6
57.04552	0.8
58.06566	0.7
59.03743	1.1
60.04526	3.6
65.03936	2.2
71.59933	0.8
76.04006	1.5
77.03931	1.5
79.05488	36.0
80.05825	0.7
82.04419	0.6
88.07655	1.5
93.02256	0.6
95.04963	15.4
97.76237	0.6
102.03348	0.6
103.05460	20.5
103.23430	0.6
105.03408	1.1
105.04515	4.2
105.07024	100.0
105.11074	1.2
106.06551	2.9
106.07355	3.7
109.16983	0.6
114.33858	0.6
120.92352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	0.9
52.94404	0.5
53.03942	5.1
53.12930	0.4
53.53236	0.4
54.67139	0.4
55.92034	0.4
60.04512	0.5
65.03923	1.0
71.60909	0.7
71.61326	0.5
77.03918	1.2
79.05487	33.5
80.05836	0.5
81.03374	0.4
86.95267	0.5
95.04958	13.6
103.05462	20.2
104.05798	0.7
105.04578	3.3
105.07021	100.0
105.11086	1.1
106.07341	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
51.48549	0.2
57.70805	0.3
58.06591	2.9
59.07384	1.1
60.08158	33.2
60.92690	0.2
60.95858	0.2
62.71412	0.2
69.03418	1.0
69.84234	1.2
72.57311	0.2
86.06050	0.7
87.04460	3.5
88.63044	0.2
103.73254	0.2
104.10734	100.0
105.11069	1.3
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
51.02378	0.9
53.03948	6.1
54.16555	0.6
57.04552	0.8
58.06566	0.7
59.03743	1.1
60.04526	3.6
65.03936	2.2
71.59933	0.8
76.04006	1.5
77.03931	1.5
79.05488	36.0
80.05825	0.7
82.04419	0.6
88.07655	1.5
93.02256	0.6
95.04963	15.4
97.76237	0.6
102.03348	0.6
103.05460	20.5
103.23430	0.6
105.03408	1.1
105.04515	4.2
105.07024	100.0
105.11074	1.2
106.06551	2.9
106.07355	3.7
109.16983	0.6
114.33858	0.6
120.92352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	1.6
76.54043	0.4
77.03897	0.6
79.05485	30.4
80.06282	0.5
81.03424	2.0
81.07047	41.5
83.04965	1.7
83.08604	6.1
85.02892	6.0
85.06516	1.2
91.03952	4.0
91.05467	20.8
93.07030	32.6
95.04961	5.5
95.08595	33.9
97.02877	4.2
97.06525	2.4
97.10162	3.2
99.08071	0.8
100.58615	0.4
103.05434	2.2
105.04507	0.8
105.07016	14.5
107.04990	0.5
107.08582	19.9
109.06482	1.7
109.10140	14.9
111.08041	1.0
115.05441	2.8
117.07014	7.6
119.07776	0.8
119.08571	10.5
121.10130	14.3
123.04411	6.8
123.08032	1.8
123.11683	4.9
125.09593	1.4
127.03870	1.7
128.06200	1.6
128.86095	0.4
129.06989	4.0
131.04912	2.7
131.08551	10.6
133.06479	1.1
133.10120	9.2
135.11676	9.6
137.05939	0.8
137.09587	1.2
137.13231	1.5
141.06972	4.4
142.07770	0.9
143.04910	1.6
143.08551	3.2
144.05666	0.7
145.04993	1.3
145.06454	6.0
145.10109	6.3
147.04390	1.3
147.08000	0.9
147.11670	7.7
149.05971	4.2
149.09544	0.9
149.13252	5.3
151.11171	1.1
152.06183	4.4
153.06976	6.8
154.07719	1.4
155.08539	6.8
157.06476	6.1
157.10054	2.6
159.08047	1.3
159.11684	4.7
160.05182	1.8
161.05968	11.9
161.13242	5.0
163.03850	0.5
163.06012	1.5
163.07521	5.3
163.11130	0.5
163.14783	2.3
165.06973	6.7
166.07765	2.2
167.08553	19.0
169.06474	4.8
169.10088	2.6
170.07236	0.6
171.08041	4.9
171.11703	1.3
172.05132	2.5
173.05969	25.7
173.13254	3.7
174.06812	2.1
175.07516	5.1
175.11179	0.5
175.13431	0.4
175.14784	1.8
177.05447	1.3
177.06921	0.9
177.09039	0.8
177.12666	0.5
177.16316	1.0
178.07730	1.2
178.36031	0.4
179.08534	4.9
179.14272	0.4
180.08804	0.5
181.06453	13.8
181.10092	3.8
182.07246	4.0
183.06454	0.9
183.08026	13.1
185.05975	3.6
185.09567	3.5
185.13251	1.0
186.06697	2.5
187.07532	13.4
187.14803	2.3
189.05463	1.5
189.09100	3.2
191.08537	1.5
193.06438	0.9
193.10123	2.5
194.07257	4.4
195.08032	80.0
195.11743	1.9
196.08577	1.5
197.05963	2.1
197.09596	24.0
198.06741	2.8
198.09975	0.7
199.07516	16.4
199.11198	1.5
199.14861	0.7
200.08270	1.6
201.09087	11.6
201.16307	0.9
203.06889	0.7
203.08684	0.8
203.10657	1.3
205.10089	2.8
206.07272	0.6
207.08031	5.5
207.11600	1.0
208.08720	1.1
209.05940	0.8
209.09561	8.5
209.13264	0.9
210.06734	0.6
211.07535	6.6
211.11037	2.5
212.08311	0.9
213.09081	46.9
214.09735	1.0
215.10645	4.6
215.18005	0.5
219.08107	2.1
219.11606	1.2
220.08751	2.1
221.09589	9.8
222.10303	0.9
223.07532	1.8
223.11125	6.9
223.14645	0.6
225.09077	3.3
225.12622	0.7
227.10594	2.7
229.08546	1.0
229.12230	0.5
231.08234	0.5
231.20961	0.5
233.09557	3.4
233.22565	0.5
234.10205	0.6
235.11137	4.4
236.11990	0.8
237.09091	1.1
237.12714	2.3
238.09901	0.9
238.13406	0.5
239.10706	2.0
241.12117	0.7
241.19499	2.3
243.21045	3.6
246.10316	0.8
247.11232	3.7
248.11902	1.3
249.12752	1.2
251.10669	1.7
251.14249	1.2
251.17949	0.7
253.12198	1.2
253.15906	0.7
256.14578	4.0
259.11014	0.6
259.20551	7.2
260.12012	0.9
261.12735	1.9
261.16379	1.3
261.22134	12.5
263.14255	1.3
265.12302	0.8
267.13733	0.5
269.15381	1.1
271.14905	0.6
277.15869	2.4
277.21625	1.5
279.14224	1.0
279.17395	13.1
281.15372	0.7
284.14050	5.7
285.14664	0.8
285.22058	0.6
287.16544	0.9
289.15799	6.6
291.17450	3.5
293.15720	0.5
293.18967	1.3
294.16122	0.5
295.16983	2.0
297.15134	0.7
297.18442	1.8
299.16489	2.1
299.23666	1.6
302.15088	0.8
305.15344	1.4
307.16891	39.6
308.17093	0.7
309.14981	0.7
309.18417	6.1
313.18173	1.1
317.18903	0.7
317.24728	2.6
319.16861	0.8
321.18558	3.0
322.15436	0.7
323.16431	5.1
323.19873	0.7
325.17935	39.8
327.19537	1.6
333.18420	3.8
333.24216	5.8
335.25763	100.0
336.26099	0.7
337.17929	1.4
337.27353	2.5
339.19498	1.9
340.16742	1.7
341.17416	2.2
343.19016	10.0
345.18353	2.5
347.19910	1.8
349.27454	0.9
351.19568	3.0
353.26746	0.5
355.19098	0.9
358.17551	1.1
359.18631	1.0
361.21152	0.8
363.19489	10.0
363.23245	0.4
365.21051	1.7
373.20123	1.6
373.27216	0.7
375.23328	0.6
379.19083	1.2
381.15546	0.6
381.20584	14.4
383.22156	4.4
397.20184	3.0
399.21622	46.1
401.24014	1.0
415.21060	2.5
417.22687	22.7
475.28049	0.8
497.30621	0.5
515.37439	0.7
539.38641	0.6
543.35016	0.5
549.37268	1.7
567.38403	7.3
585.39374	5.6
603.39954	1.2
613.42322	0.6
618.38831	2.1
621.41168	1.3
623.40686	1.6
631.43457	0.9
633.41095	1.5
636.39917	0.5
641.41913	11.1
651.41980	1.1
659.42993	37.8
660.42651	0.6
677.44025	54.1
678.44525	0.9
695.45465	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.583
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	1.4
77.03900	0.8
79.05480	28.6
81.03405	2.3
81.07049	41.5
83.04971	1.9
83.08608	7.7
85.02892	7.3
85.06514	1.8
91.03941	4.6
91.05470	19.8
93.07034	31.9
95.04961	5.7
95.08598	26.9
97.02888	4.2
97.06489	1.9
97.10146	4.3
99.04459	0.8
101.02446	0.9
103.05430	2.8
105.07016	14.5
107.04903	0.9
107.07866	1.0
107.08587	18.6
109.06489	1.2
109.10143	13.5
111.08035	1.2
115.05428	3.3
116.36386	0.9
117.07010	8.4
119.07816	0.7
119.08584	10.6
121.06497	0.9
121.10126	12.8
123.04408	9.0
123.08031	1.6
123.11671	4.5
125.09615	2.7
127.03914	2.3
128.06212	1.5
129.06995	3.5
131.04924	3.0
131.08549	9.5
133.10132	7.9
135.11691	9.8
137.05949	1.0
137.13263	1.4
141.06941	4.5
143.04884	2.1
143.08557	3.8
144.05653	1.0
145.04916	1.4
145.06488	7.0
145.10103	6.8
147.04387	1.4
147.11674	5.7
149.05966	4.5
149.09523	0.9
149.13231	4.8
149.87445	1.1
152.06230	5.4
153.06929	6.4
154.07706	1.6
155.08545	6.5
157.06456	8.0
157.10118	1.3
159.08043	1.2
159.11659	4.8
160.05183	2.2
161.04759	1.4
161.05957	13.1
161.13263	3.6
163.06071	2.0
163.07521	6.2
163.11143	0.8
163.14789	3.4
165.06967	8.3
166.07806	1.3
167.08548	21.3
168.05702	1.0
169.06453	5.0
169.10117	3.2
170.07281	0.8
171.08058	5.0
171.11615	1.7
172.05165	3.3
173.05974	27.9
173.09561	0.9
173.13211	3.1
174.06738	2.7
175.07530	6.1
175.14842	2.0
177.05565	0.8
177.09099	0.9
177.16368	1.4
178.07693	1.3
179.08551	5.6
181.06461	16.7
181.10023	4.1
182.07294	4.3
183.08040	13.4
183.11656	1.4
185.05942	3.7
185.09578	4.2
185.13274	1.4
186.06750	2.6
187.07510	17.0
187.14786	2.6
189.05505	2.3
189.09128	3.8
190.07597	0.9
191.08629	1.4
193.06505	2.0
193.10109	4.0
194.07271	3.1
195.08035	77.8
196.08568	1.5
197.05922	2.2
197.09604	29.7
198.06683	3.1
199.07501	19.1
199.11208	1.7
200.08229	2.3
201.09052	13.5
201.16306	1.1
202.07816	0.9
203.08714	0.9
205.10124	1.9
207.07996	4.4
207.11577	1.5
208.08984	1.2
209.09569	9.1
209.13130	0.9
211.07507	7.7
211.11153	2.6
212.08366	1.2
213.09070	52.1
214.09775	0.9
215.06903	0.9
215.10617	6.0
219.08186	1.4
219.11652	2.6
220.08807	1.7
221.09578	10.3
221.13217	1.0
223.07535	2.1
223.11140	7.7
225.09018	3.1
227.10667	2.3
229.12256	0.8
232.08786	1.2
233.09550	2.7
234.10466	1.0
235.11200	4.3
237.12712	2.9
239.10649	2.5
241.12167	1.4
241.19577	1.9
243.21112	3.9
247.11133	2.9
248.11877	1.1
249.12698	1.3
251.10683	1.7
251.14265	1.5
256.14429	5.2
259.20541	5.8
261.12711	1.7
261.16376	1.9
261.22079	10.9
263.14288	1.7
265.12231	1.3
267.13614	0.9
269.15222	1.5
277.15924	1.7
277.21472	1.6
279.14395	1.4
279.17374	10.9
281.15552	1.1
281.19000	0.9
284.14059	6.3
285.14670	1.2
287.16428	1.4
289.15897	7.4
291.17294	5.0
293.18930	1.0
297.18372	2.3
299.16406	4.2
299.23691	1.5
302.15088	1.9
305.15204	1.5
307.16898	40.9
309.18436	8.2
311.20300	1.3
313.17841	1.0
317.24777	2.3
319.16675	1.4
321.18481	2.5
323.16467	5.7
325.17950	54.8
327.19519	2.3
333.18454	4.2
333.24225	6.4
335.25766	100.0
336.26053	1.5
337.17889	2.2
337.27371	2.0
339.19510	1.5
340.16629	1.4
341.17532	2.6
343.19022	13.1
345.18408	2.3
347.19952	1.3
351.19431	4.1
353.26862	1.6
355.18976	1.0
358.17963	1.0
359.18637	1.6
363.19446	12.6
365.21045	2.5
373.20175	2.0
379.19235	1.8
381.20529	15.6
383.22061	5.1
397.19827	5.0
399.21634	65.5
400.22195	1.0
401.24002	1.2
415.21152	3.4
417.22672	45.3
418.22900	1.5
500.14642	0.8
515.37756	0.8
539.39056	1.4
549.37488	1.6
567.38312	9.5
585.39691	6.9
589.35199	1.1
603.40009	1.4
618.38867	2.8
623.40601	2.0
633.40863	2.0
641.41962	11.0
659.42969	42.1
660.42499	1.2
677.44037	57.4
678.44281	1.7
695.45123	5.2
1054.88062	1.0
END